@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL3979

@attribute molecule_id 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EMBL181554,CHEMBL181644,CHEMBL181656,CHEMBL181954,CHEMBL182200,CHEMBL182230,CHEMBL1825104,CHEMBL182884,CHEMBL189110,CHEMBL189844,CHEMBL190334,CHEMBL190603,CHEMBL190968,CHEMBL190976,CHEMBL191489,CHEMBL192291,CHEMBL192500,CHEMBL192582,CHEMBL192609,CHEMBL192638,CHEMBL1927473,CHEMBL1927474,CHEMBL1927475,CHEMBL1927476,CHEMBL192774,CHEMBL192791,CHEMBL1933821,CHEMBL1933822,CHEMBL1933824,CHEMBL1933825,CHEMBL1933826,CHEMBL1933827,CHEMBL1933829,CHEMBL1933830,CHEMBL1933831,CHEMBL1933832,CHEMBL1933833,CHEMBL1933834,CHEMBL1933835,CHEMBL1933836,CHEMBL1933840,CHEMBL1933841,CHEMBL1933842,CHEMBL1933843,CHEMBL1933844,CHEMBL1933845,CHEMBL193426,CHEMBL1934308,CHEMBL1934314,CHEMBL1934317,CHEMBL1934470,CHEMBL1934471,CHEMBL1934472,CHEMBL1934473,CHEMBL1934476,CHEMBL1934479,CHEMBL1934480,CHEMBL1934481,CHEMBL1934482,CHEMBL1934483,CHEMBL1934484,CHEMBL1934485,CHEMBL1934486,CHEMBL193459,CHEMBL1946566,CHEMBL1946567,CHEMBL1946568,CHEMBL1946569,CHEMBL1946570,CHEMBL1946571,CHEMBL1946572,CHEMBL1946753,CHEMBL1946754,CHEMBL1946755,CHEMBL1946756,CHEMBL1946757,CHEMBL1946758,CHEMBL1946952,CHEMBL1946953,CHEMBL1946954,CHEMBL1946955,CHEMBL1947138,CHEMBL1947139,CHEMBL1947140,CHEMBL1947141,CHEMBL1947142,CHEMBL1947143,CHEMBL1947144,CHEMBL1947145,CHEMBL1947146,CHEMBL1947147,CHEMBL1956149,CHEMBL197496,CHEMBL198082,CHEMBL198529,CHEMBL198579,CHEMBL198786,CHEMBL198929,CHEMBL199418,CHEMBL199490,CHEMBL199938,CHEMBL200495,CHEMBL200952,CHEMBL200984,CHEMBL201036,CHEMBL2011538,CHEMBL2011539,CHEMBL2011540,CHEMBL2011541,CHEMBL2011543,CHEMBL2011544,CHEMBL2011545,CHEMBL20125,CHEMBL201581,CHEMBL201653,CHEMBL201803,CHEMBL201832,CHEMBL201880,CHEMBL202118,CHEMBL202140,CHEMBL202240,CHEMBL202246,CHEMBL2024606,CHEMBL202515,CHEMBL202609,CHEMBL202617,CHEMBL202785,CHEMBL20280,CHEMBL203408,CHEMBL203409,CHEMBL2035057,CHEMBL2035058,CHEMBL2035059,CHEMBL2035060,CHEMBL2035061,CHEMBL2035062,CHEMBL2035063,CHEMBL2035064,CHEMBL2035065,CHEMBL2035067,CHEMBL2035068,CHEMBL2035069,CHEMBL2035070,CHEMBL2035071,CHEMBL2036997,CHEMBL2037003,CHEMBL2037004,CHEMBL2037005,CHEMBL2037006,CHEMBL2037007,CHEMBL2037008,CHEMBL2037009,CHEMBL2037010,CHEMBL2037078,CHEMBL2037079,CHEMBL2037080,CHEMBL2037081,CHEMBL2037082,CHEMBL2037083,CHEMBL2037181,CHEMBL2037182,CHEMBL2037183,CHEMBL2037184,CHEMBL2037577,CHEMBL2037578,CHEMBL2037579,CHEMBL2037580,CHEMBL2037581,CHEMBL2037582,CHEMBL2037583,CHEMBL2037584,CHEMBL2037585,CHEMBL2037586,CHEMBL2037587,CHEMBL2037588,CHEMBL20392,CHEMBL204057,CHEMBL20495,CHEMBL205358,CHEMBL205665,CHEMBL205725,CHEMBL205777,CHEMBL205936,CHEMBL206059,CHEMBL206202,CHEMBL2064742,CHEMBL2064743,CHEMBL206578,CHEMBL206794,CHEMBL206895,CHEMBL207019,CHEMBL207103,CHEMBL207198,CHEMBL207318,CHEMBL207442,CHEMBL207449,CHEMBL207569,CHEMBL207570,CHEMBL207811,CHEMBL207881,CHEMBL207887,CHEMBL207907,CHEMBL207957,CHEMBL208202,CHEMBL208203,CHEMBL208318,CHEMBL208567,CHEMBL208711,CHEMBL208755,CHEMBL208967,CHEMBL209546,CHEMBL209563,CHEMBL209595,CHEMBL209749,CHEMBL210017,CHEMBL210057,CHEMBL210163,CHEMBL210469,CHEMBL210613,CHEMBL210768,CHEMBL210873,CHEMBL210917,CHEMBL210973,CHEMBL211047,CHEMBL21105,CHEMBL2112051,CHEMBL2112052,CHEMBL2112993,CHEMBL2112994,CHEMBL2112996,CHEMBL2112997,CHEMBL2112999,CHEMBL2113000,CHEMBL2113263,CHEMBL211371,CHEMBL211473,CHEMBL211513,CHEMBL211839,CHEMBL211963,CHEMBL212023,CHEMBL21241,CHEMBL212591,CHEMBL212808,CHEMBL212813,CHEMBL212911,CHEMBL212993,CHEMBL213132,CHEMBL213314,CHEMBL213315,CHEMBL213355,CHEMBL213361,CHEMBL213487,CHEMBL213524,CHEMBL213602,CHEMBL213675,CHEMBL213678,CHEMBL213782,CHEMBL213876,CHEMBL213877,CHEMBL213902,CHEMBL214026,CHEMBL214272,CHEMBL214289,CHEMBL214295,CHEMBL214394,CHEMBL214719,CHEMBL214921,CHEMBL215126,CHEMBL215127,CHEMBL215245,CHEMBL215582,CHEMBL215605,CHEMBL215701,CHEMBL215812,CHEMBL2159605,CHEMBL2159606,CHEMBL2159607,CHEMBL216395,CHEMBL21706,CHEMBL217118,CHEMBL217932,CHEMBL218094,CHEMBL218101,CHEMBL218338,CHEMBL218339,CHEMBL218384,CHEMBL218442,CHEMBL218497,CHEMBL218637,CHEMBL218687,CHEMBL218691,CHEMBL218784,CHEMBL219586,CHEMBL219587,CHEMBL219609,CHEMBL219610,CHEMBL219617,CHEMBL219626,CHEMBL219661,CHEMBL219668,CHEMBL219669,CHEMBL219686,CHEMBL219687,CHEMBL219688,CHEMBL219723,CHEMBL219817,CHEMBL219836,CHEMBL219872,CHEMBL219935,CHEMBL219944,CHEMBL220058,CHEMBL220059,CHEMBL220060,CHEMBL220117,CHEMBL220124,CHEMBL220151,CHEMBL220152,CHEMBL220173,CHEMBL220204,CHEMBL220205,CHEMBL220223,CHEMBL220224,CHEMBL220281,CHEMBL220325,CHEMBL220388,CHEMBL220421,CHEMBL220422,CHEMBL220430,CHEMBL220431,CHEMBL220448,CHEMBL220507,CHEMBL220508,CHEMBL220557,CHEMBL220570,CHEMBL220627,CHEMBL220628,CHEMBL2206302,CHEMBL2206303,CHEMBL2206304,CHEMBL220635,CHEMBL220662,CHEMBL220681,CHEMBL220751,CHEMBL220785,CHEMBL220817,CHEMBL220836,CHEMBL220837,CHEMBL220893,CHEMBL220894,CHEMBL220926,CHEMBL220990,CHEMBL221044,CHEMBL221074,CHEMBL221100,CHEMBL221101,CHEMBL221146,CHEMBL221201,CHEMBL221254,CHEMBL221292,CHEMBL221399,CHEMBL221755,CHEMBL222247,CHEMBL222248,CHEMBL222508,CHEMBL222560,CHEMBL222561,CHEMBL222880,CHEMBL223080,CHEMBL223247,CHEMBL223356,CHEMBL223434,CHEMBL223629,CHEMBL223748,CHEMBL225017,CHEMBL225828,CHEMBL225936,CHEMBL229525,CHEMBL229573,CHEMBL229778,CHEMBL229785,CHEMBL229786,CHEMBL229831,CHEMBL229836,CHEMBL229837,CHEMBL229888,CHEMBL230050,CHEMBL230063,CHEMBL230158,CHEMBL230177,CHEMBL230179,CHEMBL230268,CHEMBL230269,CHEMBL230287,CHEMBL230372,CHEMBL230605,CHEMBL231223,CHEMBL231428,CHEMBL231527,CHEMBL231528,CHEMBL231531,CHEMBL231688,CHEMBL231689,CHEMBL231690,CHEMBL231696,CHEMBL2322437,CHEMBL2323021,CHEMBL232395,CHEMBL232396,CHEMBL232397,CHEMBL232398,CHEMBL232399,CHEMBL232400,CHEMBL232597,CHEMBL23296,CHEMBL233177,CHEMBL2337126,CHEMBL2337127,CHEMBL233976,CHEMBL233978,CHEMBL234168,CHEMBL234169,CHEMBL234170,CHEMBL234381,CHEMBL234382,CHEMBL234383,CHEMBL234484,CHEMBL234485,CHEMBL234587,CHEMBL234588,CHEMBL234589,CHEMBL234659,CHEMBL234660,CHEMBL234661,CHEMBL234662,CHEMBL234663,CHEMBL234665,CHEMBL234666,CHEMBL234689,CHEMBL234691,CHEMBL234692,CHEMBL234693,CHEMBL234799,CHEMBL234800,CHEMBL234801,CHEMBL234903,CHEMBL234904,CHEMBL234905,CHEMBL234906,CHEMBL234907,CHEMBL234908,CHEMBL234910,CHEMBL235143,CHEMBL236218,CHEMBL236664,CHEMBL23670,CHEMBL236875,CHEMBL236876,CHEMBL236877,CHEMBL237084,CHEMBL237085,CHEMBL237086,CHEMBL237277,CHEMBL237305,CHEMBL237306,CHEMBL237307,CHEMBL237484,CHEMBL237485,CHEMBL237518,CHEMBL237519,CHEMBL237520,CHEMBL237710,CHEMBL237730,CHEMBL238152,CHEMBL238357,CHEMBL23874,CHEMBL238745,CHEMBL23881,CHEMBL238944,CHEMBL238946,CHEMBL238970,CHEMBL239351,CHEMBL239352,CHEMBL239353,CHEMBL239561,CHEMBL239562,CHEMBL239563,CHEMBL239771,CHEMBL240437,CHEMBL240459,CHEMBL240868,CHEMBL241063,CHEMBL241078,CHEMBL241269,CHEMBL241286,CHEMBL241298,CHEMBL241299,CHEMBL241471,CHEMBL241472,CHEMBL241478,CHEMBL241479,CHEMBL242007,CHEMBL244573,CHEMBL244574,CHEMBL244575,CHEMBL24458,CHEMBL244786,CHEMBL245454,CHEMBL245464,CHEMBL245465,CHEMBL245664,CHEMBL245865,CHEMBL245866,CHEMBL246069,CHEMBL246070,CHEMBL246279,CHEMBL246281,CHEMBL246282,CHEMBL246485,CHEMBL246510,CHEMBL247303,CHEMBL247507,CHEMBL247508,CHEMBL247703,CHEMBL247704,CHEMBL247705,CHEMBL247748,CHEMBL247749,CHEMBL247908,CHEMBL247909,CHEMBL247937,CHEMBL247951,CHEMBL247952,CHEMBL248112,CHEMBL248113,CHEMBL248118,CHEMBL248318,CHEMBL248324,CHEMBL248325,CHEMBL248326,CHEMBL248526,CHEMBL248527,CHEMBL249865,CHEMBL250673,CHEMBL252675,CHEMBL253109,CHEMBL253310,CHEMBL253520,CHEMBL254540,CHEMBL254742,CHEMBL254743,CHEMBL254744,CHEMBL254946,CHEMBL255392,CHEMBL255426,CHEMBL255593,CHEMBL25710,CHEMBL258519,CHEMBL258732,CHEMBL258766,CHEMBL258832,CHEMBL259055,CHEMBL259856,CHEMBL259873,CHEMBL259973,CHEMBL260494,CHEMBL260627,CHEMBL260839,CHEMBL260840,CHEMBL261555,CHEMBL262558,CHEMBL263029,CHEMBL264374,CHEMBL264385,CHEMBL265364,CHEMBL265421,CHEMBL265868,CHEMBL267147,CHEMBL270451,CHEMBL270587,CHEMBL270664,CHEMBL270801,CHEMBL270960,CHEMBL271877,CHEMBL272137,CHEMBL278590,CHEMBL278994,CHEMBL279053,CHEMBL279211,CHEMBL280293,CHEMBL280897,CHEMBL281608,CHEMBL281791,CHEMBL288341,CHEMBL289887,CHEMBL295416,CHEMBL298187,CHEMBL299958,CHEMBL300026,CHEMBL300629,CHEMBL301156,CHEMBL305723,CHEMBL307728,CHEMBL309778,CHEMBL310426,CHEMBL310962,CHEMBL311429,CHEMBL312791,CHEMBL314483,CHEMBL315048,CHEMBL317424,CHEMBL318351,CHEMBL318684,CHEMBL318696,CHEMBL322690,CHEMBL323008,CHEMBL324027,CHEMBL324449,CHEMBL325723,CHEMBL325844,CHEMBL326273,CHEMBL326873,CHEMBL327481,CHEMBL327767,CHEMBL328099,CHEMBL328455,CHEMBL328615,CHEMBL330191,CHEMBL331071,CHEMBL331388,CHEMBL332018,CHEMBL332465,CHEMBL340011,CHEMBL344282,CHEMBL345009,CHEMBL345721,CHEMBL356170,CHEMBL359548,CHEMBL360231,CHEMBL360240,CHEMBL360246,CHEMBL360368,CHEMBL360552,CHEMBL360919,CHEMBL360992,CHEMBL361166,CHEMBL361424,CHEMBL36268,CHEMBL363006,CHEMBL363154,CHEMBL363532,CHEMBL363780,CHEMBL366145,CHEMBL367002,CHEMBL367019,CHEMBL367311,CHEMBL367549,CHEMBL367891,CHEMBL368371,CHEMBL368793,CHEMBL368931,CHEMBL369053,CHEMBL369289,CHEMBL369607,CHEMBL369725,CHEMBL370024,CHEMBL37013,CHEMBL371087,CHEMBL371091,CHEMBL371097,CHEMBL373554,CHEMBL373591,CHEMBL373605,CHEMBL373785,CHEMBL373791,CHEMBL373813,CHEMBL374078,CHEMBL374090,CHEMBL374234,CHEMBL374310,CHEMBL374346,CHEMBL374355,CHEMBL374502,CHEMBL374545,CHEMBL374682,CHEMBL374901,CHEMBL374925,CHEMBL37495,CHEMBL375072,CHEMBL375098,CHEMBL375373,CHEMBL375427,CHEMBL375471,CHEMBL375747,CHEMBL375748,CHEMBL375760,CHEMBL375761,CHEMBL375812,CHEMBL376050,CHEMBL376165,CHEMBL376418,CHEMBL376537,CHEMBL376641,CHEMBL377093,CHEMBL377508,CHEMBL377660,CHEMBL377695,CHEMBL377883,CHEMBL377898,CHEMBL378057,CHEMBL378068,CHEMBL378325,CHEMBL378705,CHEMBL378881,CHEMBL379123,CHEMBL379145,CHEMBL379851,CHEMBL380070,CHEMBL380232,CHEMBL380404,CHEMBL380837,CHEMBL381066,CHEMBL381477,CHEMBL382178,CHEMBL382655,CHEMBL382789,CHEMBL383011,CHEMBL383132,CHEMBL383313,CHEMBL383404,CHEMBL383646,CHEMBL383728,CHEMBL384203,CHEMBL384746,CHEMBL384762,CHEMBL38508,CHEMBL387023,CHEMBL387203,CHEMBL387261,CHEMBL387350,CHEMBL387914,CHEMBL388540,CHEMBL38943,CHEMBL389768,CHEMBL389769,CHEMBL389903,CHEMBL390004,CHEMBL390005,CHEMBL390116,CHEMBL390199,CHEMBL391068,CHEMBL391084,CHEMBL391085,CHEMBL391180,CHEMBL391264,CHEMBL391283,CHEMBL39129,CHEMBL391457,CHEMBL391470,CHEMBL391478,CHEMBL39147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@attribute CATS2D_01_AN numeric
@attribute CATS2D_01_DN numeric
@attribute Eig02_AEA.dm. numeric
@attribute Eig01_AEA.ed. numeric
@attribute SpMax_AEA.ed. numeric
@attribute SM04_EA.dm. numeric
@attribute nROH numeric
@attribute O.057 numeric
@attribute Eig01_EA.ed. numeric
@attribute SM10_AEA.dm. numeric
@attribute SpMax_EA.ed. numeric
@attribute SM07_EA.dm. numeric
@attribute SdO numeric
@attribute Eig01_AEA.ri. numeric
@attribute SpMax_AEA.ri. numeric
@attribute MAXDN numeric
@attribute SpDiam_EA.ed. numeric
@attribute SaaCH numeric
@attribute CATS2D_07_DA numeric
@attribute CATS2D_07_DL numeric
@attribute Eig01_AEA.dm. numeric
@attribute SpMax_AEA.dm. numeric
@attribute NsOH numeric
@attribute SAdon numeric
@attribute nRCOOH numeric
@attribute CATS2D_01_NL numeric
@attribute SpDiam_AEA.dm. numeric
@attribute Eta_sh_y numeric
@attribute Eig01_EA numeric
@attribute SM09_AEA.bo. numeric
@attribute SpDiam_EA numeric
@attribute SpMax_EA numeric
@attribute SpDiam_AEA.ri. numeric
@attribute CATS2D_09_DL numeric
@attribute SM02_EA.dm. numeric
@attribute SM08_EA.dm. numeric
@attribute SM05_EA.dm. numeric
@attribute SpMin1_Bh.m. numeric
@attribute C.041 numeric
@attribute GATS4s numeric
@attribute Eig01_AEA.bo. numeric
@attribute SpMax_AEA.bo. numeric
@attribute CATS2D_07_AA numeric
@attribute GATS7i numeric
@attribute SM10_EA.dm. numeric
@attribute SsOH numeric
@attribute SpDiam_EA.dm. numeric
@attribute SpMin6_Bh.p. numeric
@attribute Eig03_AEA.bo. numeric
@attribute Eig01_EA.dm. numeric
@attribute SpMax_EA.dm. numeric
@attribute SM12_EA.dm. numeric
@attribute SaaaC numeric
@attribute P_VSA_LogP_3 numeric
@attribute SM14_EA.dm. numeric
@attribute SpMin6_Bh.s. numeric
@attribute SM09_EA.dm. numeric
@attribute N. numeric
@attribute SpDiam_AEA.bo. numeric
@attribute CATS2D_05_NL numeric
@attribute GATS8s numeric
@attribute SpMin3_Bh.m. numeric
@attribute NaasC numeric
@attribute GATS1i numeric
@attribute SsssCH numeric
@attribute SM06_EA.dm. numeric
@attribute SdssC numeric
@attribute SpMin6_Bh.v. numeric
@attribute pXC50 numeric

@data
{1 1,2 1,3 4.378,4 7.472,5 7.472,6 6.214,7 1,8 1,9 13.094,10 13.094,11 13.094,12 10.1,13 25.549,14 4.411,15 4.411,16 6.619,17 21.211,18 14.075,20 2,21 4.548,22 4.548,23 1,24 42.683,25 1,27 6.548,28 0.304,29 3.519,30 3.519,31 5.519,32 3.519,33 5.464,35 4.003,36 11.441,37 7.424,38 2.065,40 1.037,41 4.695,42 4.695,43 3,44 0.626,45 14.115,46 9.397,47 5.506,48 1.518,49 4.44,50 3.825,51 3.825,52 16.795,54 94.762,55 19.477,56 0.825,57 12.775,58 3.9,59 5.625,60 2,61 0.695,62 1.974,63 9,64 0.952,65 -0.014,66 8.787,67 -2.083,68 1.465,69 6}
{0 CHEMBL1017,1 1,2 1,3 3.39,4 6.889,5 6.889,6 2.269,7 1,8 1,9 11.558,10 11.558,11 11.558,13 11.71,14 4.266,15 4.266,16 2.587,17 19.009,18 27.902,20 1,21 3.609,22 3.609,23 1,24 42.683,26 1,27 5.609,28 0.389,29 3.311,30 3.311,31 5.311,32 3.311,33 5.318,35 1.736,36 3.619,38 2.102,40 0.893,41 4.738,42 4.738,44 0.999,45 4.33,46 9.604,47 2.873,48 1.706,49 4.443,50 1.437,51 1.437,52 5.047,53 4.209,54 132.667,55 5.769,56 0.767,58 5.8,59 5.537,60 2,61 0.413,62 2.012,63 8,64 1.201,66 2.925,67 -0.921,68 1.702,69 5}
{0 CHEMBL102004,1 1,2 1,3 4.46,4 7.278,5 7.278,6 6.612,7 1,8 1,9 12.364,10 12.364,11 12.364,12 10.503,13 24.648,14 4.321,15 4.321,16 6.428,17 19.93,18 11.065,20 2,21 4.489,22 4.489,23 1,24 42.683,25 1,27 6.489,28 0.247,29 3.431,30 3.431,31 5.431,32 3.431,33 5.373,35 4.381,36 11.844,37 7.825,38 2.067,40 0.965,41 4.61,42 4.61,43 1,44 0.748,45 14.519,46 9.289,47 5.506,48 1.593,49 4.44,50 3.825,51 3.825,52 17.2,54 104.239,55 19.882,56 0.781,57 13.179,58 1.4,59 5.544,60 2,61 0.703,62 2.013,63 7,64 0.931,66 9.188,67 -1.973,68 1.59,69 7.721}
{0 CHEMBL104850,1 1,2 1,3 3.152,4 6.424,5 6.424,6 3.721,7 1,8 1,9 9.847,10 9.847,11 9.847,12 5.985,13 11.606,14 4.005,15 4.005,16 2.519,17 16.421,18 24.557,21 3.785,22 3.785,23 1,24 42.683,25 1,27 5.785,28 0.301,29 3.027,30 3.027,31 5.027,32 3.027,33 5.074,35 2.45,36 6.962,37 4.173,38 2.043,40 1.151,41 4.4,42 4.4,43 1,44 1.058,45 8.666,46 9.523,47 3.984,48 1.584,49 4.006,50 2.374,51 2.374,52 10.384,54 122.334,55 12.108,56 0.694,57 7.75,58 3.6,59 5.282,60 2,61 0.387,62 1.853,63 6,64 1.232,65 -0.629,66 5.293,67 -0.852,68 1.59,69 5.511}
{0 CHEMBL106666,1 1,2 1,3 3.668,4 6.464,5 6.464,6 4.047,7 1,8 1,9 10.004,10 10.004,11 10.004,12 5.987,13 23.915,14 4.005,15 4.005,16 2.696,17 16.703,18 23.661,19 3,20 1,21 3.761,22 3.761,23 1,24 60.694,25 1,27 5.761,28 0.318,29 3.027,30 3.027,31 5.027,32 3.027,33 5.073,34 1,35 2.863,36 7.076,37 4.173,38 2.05,40 1.303,41 4.4,42 4.4,43 2,44 0.935,45 8.728,46 9.741,47 4.049,48 1.601,49 4.071,50 2.375,51 2.375,52 10.419,54 123.191,55 12.129,56 0.732,57 7.754,58 3.1,59 5.291,60 4,61 0.704,62 1.993,63 8,64 1.186,65 -0.938,66 5.496,67 -1.566,68 1.591,69 5.921}
{0 CHEMBL107367,1 1,2 1,3 3.604,4 6.619,5 6.619,6 3.726,7 1,8 1,9 10.489,10 10.489,11 10.489,12 5.987,13 25.202,14 4.098,15 4.098,16 2.676,17 17.659,18 33.007,19 2,20 3,21 3.759,22 3.759,23 1,24 60.694,25 1,27 5.759,28 0.308,29 3.092,30 3.092,31 5.092,32 3.092,33 5.166,34 3,35 2.477,36 6.966,37 4.173,38 2.067,40 1.33,41 4.43,42 4.43,43 1,44 1,45 8.671,46 9.933,47 3.987,48 1.713,49 4.081,50 2.375,51 2.375,52 10.389,54 170.572,55 12.114,56 0.859,57 7.754,58 2.8,59 5.323,60 4,61 0.75,62 2.014,63 9,64 1.068,65 -0.93,66 5.296,67 -1.179,68 1.698,69 5.921}
{0 CHEMBL1075665,1 1,2 1,3 3.629,4 6.967,5 6.967,6 3.824,7 1,8 1,9 11.809,10 11.809,11 11.809,12 6.05,13 24.416,14 4.267,15 4.267,16 2.619,17 19.202,18 20.859,19 1,20 7,21 3.641,22 3.641,23 1,24 60.694,25 1,26 1,27 5.641,28 0.326,29 3.272,30 3.272,31 5.272,32 3.272,33 5.341,34 1,35 2.654,36 7.046,37 4.213,38 2.047,40 0.773,41 4.627,42 4.627,43 3,44 1.033,45 8.766,46 9.132,47 4.03,48 1.509,49 4.115,50 2.397,51 2.397,52 10.503,54 113.715,55 12.247,56 0.583,57 7.838,58 3.6,59 5.553,60 1,61 1.083,62 1.919,63 9,64 1.01,66 5.368,67 -1.359,68 1.49,69 7.155}
{0 CHEMBL1075682,1 1,2 1,3 3.63,4 6.726,5 6.726,6 5.798,7 1,8 1,9 11.001,10 11.001,11 11.001,12 9.783,13 10.79,14 4.123,15 4.123,16 6.025,17 18.153,18 18.424,21 4.437,22 4.437,23 1,24 42.683,25 1,27 6.437,28 0.306,29 3.184,30 3.184,31 5.184,32 3.184,33 5.275,35 3.671,36 11.173,37 7.016,38 2.021,40 0.499,41 4.54,42 4.54,43 1,44 0.684,45 13.95,46 8.836,47 5.712,48 1.696,49 4.192,50 4.032,51 4.032,52 16.734,54 104.239,55 19.521,56 0.816,57 12.558,58 1.4,59 5.465,60 3,61 0.471,62 1.959,63 10,64 0.946,65 0.23,66 8.426,67 -1.066,68 1.657,69 7.824}
{0 CHEMBL1075683,1 1,2 1,3 3.63,4 6.726,5 6.726,6 5.798,7 1,8 1,9 11.001,10 11.001,11 11.001,12 9.783,13 10.778,14 4.163,15 4.163,16 6.051,17 18.153,18 17.73,21 4.437,22 4.437,23 1,24 42.683,25 1,27 6.437,28 0.314,29 3.184,30 3.184,31 5.184,32 3.184,33 5.254,35 3.671,36 11.173,37 7.016,38 2.024,40 0.52,41 4.54,42 4.54,43 2,44 0.695,45 13.95,46 8.824,47 5.712,48 1.71,49 4.192,50 4.032,51 4.032,52 16.734,54 104.239,55 19.521,56 0.764,57 12.558,58 1.4,59 5.465,60 3,61 0.419,62 1.961,63 10,64 1.001,65 0.209,66 8.426,67 -1.08,68 1.668,69 7.921}
{0 CHEMBL1075703,1 1,2 1,3 3.63,4 6.733,5 6.733,6 5.801,7 1,8 1,9 11.031,10 11.031,11 11.031,12 9.783,13 10.782,14 4.139,15 4.139,16 6.037,17 18.219,18 16.15,21 4.437,22 4.437,23 1,24 42.683,25 1,27 6.437,28 0.317,29 3.195,30 3.195,31 5.195,32 3.195,33 5.291,35 3.708,36 11.173,37 7.016,38 2.007,40 0.511,41 4.554,42 4.554,43 1,44 0.688,45 13.95,46 8.829,47 5.712,48 1.601,49 4.235,50 4.032,51 4.032,52 16.734,54 94.762,55 19.521,56 0.7,57 12.558,58 1.5,59 5.439,60 3,61 0.493,62 1.94,63 11,64 0.948,66 8.426,67 -1.073,68 1.602,69 7.886}
{0 CHEMBL1075704,1 1,2 1,3 3.63,4 6.726,5 6.726,6 5.796,7 1,8 1,9 11.002,10 11.002,11 11.002,12 9.783,13 10.784,14 4.126,15 4.126,16 6.016,17 18.158,18 18.993,21 4.437,22 4.437,23 1,24 42.683,25 1,27 6.437,28 0.308,29 3.185,30 3.185,31 5.185,32 3.185,33 5.277,35 3.658,36 11.173,37 7.016,38 2.029,40 0.458,41 4.541,42 4.541,43 1,44 0.714,45 13.95,46 8.832,47 5.712,48 1.646,49 4.195,50 4.032,51 4.032,52 16.734,54 104.239,55 19.521,56 0.816,57 12.558,58 2.9,59 5.432,60 3,61 0.488,62 1.966,63 10,64 0.989,66 8.426,67 -1.062,68 1.638,69 6.387}
{0 CHEMBL1075705,1 1,2 1,3 3.63,4 6.726,5 6.726,6 5.796,7 1,8 1,9 11.002,10 11.002,11 11.002,12 9.783,13 10.797,14 4.126,15 4.126,16 6.017,17 18.158,18 19.06,21 4.437,22 4.437,23 1,24 42.683,25 1,27 6.437,28 0.3,29 3.185,30 3.185,31 5.185,32 3.185,33 5.276,35 3.658,36 11.173,37 7.016,38 2.082,40 0.437,41 4.541,42 4.541,43 1,44 0.722,45 13.95,46 8.842,47 5.712,48 1.597,49 4.195,50 4.032,51 4.032,52 16.734,54 104.239,55 19.521,56 0.816,57 12.558,58 2.8,59 5.541,60 3,61 0.481,62 1.996,63 10,64 1.001,66 8.426,67 -1.061,68 1.602,69 7.284}
{0 CHEMBL1075706,1 1,2 1,3 3.63,4 6.726,5 6.726,6 5.799,7 1,8 1,9 11.002,10 11.002,11 11.002,12 9.783,13 10.792,14 4.126,15 4.126,16 6.025,17 18.158,18 18.791,21 4.437,22 4.437,23 1,24 42.683,25 1,27 6.437,28 0.303,29 3.185,30 3.185,31 5.185,32 3.185,33 5.276,35 3.695,36 11.173,37 7.016,38 2.044,40 0.451,41 4.541,42 4.541,43 1,44 0.715,45 13.95,46 8.838,47 5.712,48 1.595,49 4.195,50 4.032,51 4.032,52 16.734,54 104.239,55 19.521,56 0.816,57 12.558,58 2.9,59 5.541,60 3,61 0.491,62 1.976,63 10,64 1.016,66 8.426,67 -1.066,68 1.601,69 7.347}
{0 CHEMBL1075723,1 1,2 1,3 3.704,4 6.727,5 6.727,6 5.805,7 1,8 1,9 11.002,10 11.002,11 11.002,12 9.783,13 23.549,14 4.13,15 4.13,16 6.052,17 18.17,18 17.519,21 4.437,22 4.437,23 1,24 42.683,25 1,27 6.437,28 0.345,29 3.187,30 3.187,31 5.187,32 3.187,33 5.28,35 3.706,36 11.174,37 7.017,38 2.037,40 0.687,41 4.543,42 4.543,43 3,44 0.653,45 13.95,46 8.834,47 5.712,48 1.602,49 4.243,50 4.032,51 4.032,52 16.734,54 104.239,55 19.521,56 0.7,57 12.558,58 2.8,59 5.389,60 3,61 0.494,62 1.973,63 10,64 1.026,65 0.029,66 8.427,67 -1.203,68 1.604,69 8.699}
{0 CHEMBL1075724,1 1,2 1,3 3.692,4 6.727,5 6.727,6 5.805,7 1,8 1,9 11.002,10 11.002,11 11.002,12 9.783,13 23.777,14 4.129,15 4.129,16 6.048,17 18.164,18 17.767,21 4.437,22 4.437,23 1,24 42.683,25 1,27 6.437,28 0.312,29 3.186,30 3.186,31 5.186,32 3.186,33 5.279,35 3.706,36 11.174,37 7.017,38 2.064,40 0.691,41 4.543,42 4.543,43 3,44 0.668,45 13.95,46 8.846,47 5.712,48 1.603,49 4.242,50 4.032,51 4.032,52 16.734,54 104.239,55 19.521,56 0.816,57 12.558,58 2.7,59 5.543,60 3,61 0.487,62 2.004,63 10,64 1.001,66 8.427,67 -1.093,68 1.604,69 8.222}
{0 CHEMBL1075725,1 1,2 1,3 3.692,4 6.727,5 6.727,6 5.805,7 1,8 1,9 11.002,10 11.002,11 11.002,12 9.783,13 23.745,14 4.167,15 4.167,16 6.074,17 18.164,18 17.073,21 4.437,22 4.437,23 1,24 42.683,25 1,27 6.437,28 0.32,29 3.186,30 3.186,31 5.186,32 3.186,33 5.254,35 3.706,36 11.174,37 7.017,38 2.064,40 0.706,41 4.543,42 4.543,43 3,44 0.697,45 13.95,46 8.835,47 5.712,48 1.652,49 4.242,50 4.032,51 4.032,52 16.734,54 104.239,55 19.521,56 0.765,57 12.558,58 2.7,59 5.543,60 3,61 0.424,62 2.004,63 10,64 1.056,66 8.427,67 -1.133,68 1.619,69 7.745}
{0 CHEMBL1075732,1 1,2 1,3 3.704,4 6.727,5 6.727,6 5.805,7 1,8 1,9 11.002,10 11.002,11 11.002,12 9.783,13 23.517,14 4.167,15 4.167,16 6.078,17 18.17,18 16.825,21 4.437,22 4.437,23 1,24 42.683,25 1,27 6.437,28 0.354,29 3.187,30 3.187,31 5.187,32 3.187,33 5.254,35 3.706,36 11.174,37 7.017,38 2.039,40 0.702,41 4.543,42 4.543,43 3,44 0.684,45 13.95,46 8.822,47 5.712,48 1.652,49 4.243,50 4.032,51 4.032,52 16.734,54 104.239,55 19.521,56 0.699,57 12.558,58 2.8,59 5.389,60 3,61 0.43,62 1.977,63 10,64 1.083,65 0.012,66 8.427,67 -1.243,68 1.619,69 9}
{0 CHEMBL1075772,1 1,2 1,3 3.153,4 6.185,5 6.185,6 3.909,7 1,8 1,9 9.237,10 9.237,11 9.237,12 6.111,13 10.569,14 3.885,15 3.885,16 2.676,17 15.517,18 14.78,21 3.63,22 3.63,23 1,24 42.683,25 1,27 5.63,28 0.313,29 2.934,30 2.934,31 4.934,32 2.934,33 5.009,35 2.699,36 7.143,37 4.238,38 2.004,40 0.611,41 4.308,42 4.308,44 0.827,45 8.879,46 8.666,47 4.104,48 1.361,49 3.871,50 2.423,51 2.423,52 10.635,54 73.983,55 12.399,56 0.516,57 7.928,58 2.4,59 5.152,60 3,61 0.369,62 1.589,63 7,64 1.055,66 5.457,67 -1.009,68 1.409,69 5.327}
{0 CHEMBL1075835,1 1,2 1,3 3.63,4 6.726,5 6.726,6 5.799,7 1,8 1,9 11.002,10 11.002,11 11.002,12 9.783,13 10.788,14 4.124,15 4.124,16 6.033,17 18.158,18 16.242,21 4.437,22 4.437,23 1,24 42.683,25 1,27 6.437,28 0.304,29 3.185,30 3.185,31 5.185,32 3.185,33 5.275,35 3.695,36 11.173,37 7.016,38 2.008,40 0.479,41 4.541,42 4.541,43 2,44 0.693,45 13.95,46 8.834,47 5.712,48 1.594,49 4.195,50 4.032,51 4.032,52 16.734,54 85.286,55 19.521,56 0.816,57 12.558,58 4.4,59 5.541,60 3,61 0.512,62 1.963,63 10,64 1.058,66 8.426,67 -1.071,68 1.6,69 7.745}
{0 CHEMBL1075836,1 1,2 1,3 3.63,4 6.726,5 6.726,6 5.799,7 1,8 1,9 11.002,10 11.002,11 11.002,12 9.783,13 10.784,14 4.123,15 4.123,16 6.041,17 18.158,18 13.915,21 4.437,22 4.437,23 1,24 42.683,25 1,27 6.437,28 0.306,29 3.185,30 3.185,31 5.185,32 3.185,33 5.274,35 3.695,36 11.173,37 7.016,38 2.004,40 0.504,41 4.541,42 4.541,43 3,44 0.672,45 13.95,46 8.83,47 5.712,48 1.592,49 4.195,50 4.032,51 4.032,52 16.734,54 66.334,55 19.521,56 0.815,57 12.558,58 6,59 5.541,60 3,61 0.536,62 1.938,63 10,64 1.1,66 8.426,67 -1.075,68 1.598,69 8.523}
{0 CHEMBL1075856,1 1,2 1,3 3.195,4 6.499,5 6.499,6 3.909,7 1,8 1,9 10.161,10 10.161,11 10.161,12 6.111,13 10.603,14 4.002,15 4.002,16 2.668,17 16.904,18 13.741,21 3.63,22 3.63,23 1,24 42.683,25 1,27 5.63,28 0.344,29 3.071,30 3.071,31 5.071,32 3.071,33 5.142,35 2.699,36 7.143,37 4.238,38 2.042,40 0.504,41 4.44,42 4.44,44 0.924,45 8.879,46 8.695,47 4.104,48 1.403,49 3.909,50 2.423,51 2.423,52 10.635,54 66.334,55 12.399,56 0.598,57 7.928,58 2.1,59 5.284,60 3,61 0.42,62 1.732,63 8,64 1.093,66 5.457,67 -1.002,68 1.453,69 5.199}
{0 CHEMBL1075893,1 1,2 1,3 3.228,4 6.727,5 6.727,6 3.909,7 1,8 1,9 11.002,10 11.002,11 11.002,12 6.111,13 10.853,14 4.13,15 4.13,16 2.681,17 18.161,18 43.194,21 3.63,22 3.63,23 1,24 42.683,25 1,27 5.63,28 0.309,29 3.182,30 3.182,31 5.182,32 3.182,33 5.278,35 2.699,36 7.143,37 4.238,38 2.1,40 0.545,41 4.544,42 4.544,44 0.87,45 8.879,46 8.896,47 4.104,48 1.697,49 4.244,50 2.423,51 2.423,52 10.635,54 199.001,55 12.399,56 0.813,57 7.928,58 1.4,59 5.389,60 3,61 0.379,62 2.004,63 12,64 0.926,66 5.457,67 -1.014,68 1.657,69 6.886}
{0 CHEMBL1075894,1 1,2 1,3 3.63,4 6.726,5 6.726,6 5.799,7 1,8 1,9 11.002,10 11.002,11 11.002,12 9.783,13 10.777,14 4.163,15 4.163,16 6.059,17 18.158,18 15.594,21 4.437,22 4.437,23 1,24 42.683,25 1,27 6.437,28 0.312,29 3.185,30 3.185,31 5.185,32 3.185,33 5.267,35 3.695,36 11.173,37 7.016,38 2.012,40 0.499,41 4.541,42 4.541,43 3,44 0.697,45 13.95,46 8.822,47 5.712,48 1.651,49 4.195,50 4.032,51 4.032,52 16.734,54 85.286,55 19.521,56 0.762,57 12.558,58 4.4,59 5.541,60 3,61 0.462,62 1.964,63 10,64 1.119,66 8.426,67 -1.085,68 1.618,69 8.699}
{0 CHEMBL1075895,1 1,2 1,3 3.63,4 6.726,5 6.726,6 5.799,7 1,8 1,9 11.002,10 11.002,11 11.002,12 9.783,13 10.773,14 4.162,15 4.162,16 6.068,17 18.158,18 13.314,21 4.437,22 4.437,23 1,24 42.683,25 1,27 6.437,28 0.314,29 3.185,30 3.185,31 5.185,32 3.185,33 5.266,35 3.695,36 11.173,37 7.016,38 2.004,40 0.525,41 4.541,42 4.541,43 4,44 0.676,45 13.95,46 8.818,47 5.712,48 1.651,49 4.195,50 4.032,51 4.032,52 16.734,54 66.334,55 19.521,56 0.757,57 12.558,58 6,59 5.541,60 3,61 0.484,62 1.938,63 10,64 1.164,66 8.426,67 -1.089,68 1.618,69 9}
{0 CHEMBL1076151,1 1,2 1,3 3.63,4 7.291,5 7.291,6 5.62,7 1,8 1,9 12.476,10 12.476,11 12.476,12 9.425,13 10.809,14 4.324,15 4.324,16 5.823,17 20.209,18 24.986,21 4.471,22 4.471,23 1,24 42.683,25 1,27 6.471,28 0.321,29 3.418,30 3.418,31 5.418,32 3.418,33 5.474,35 3.589,36 10.761,37 6.771,38 2.086,40 0.78,41 4.644,42 4.644,44 1.038,45 13.427,46 8.849,47 5.506,48 1.607,49 4.244,50 3.825,51 3.825,52 16.104,54 142.144,55 18.785,56 0.7,57 12.09,58 1.4,59 5.489,60 3,61 0.783,62 1.997,63 12,64 0.877,66 8.129,67 -1.08,68 1.605,69 6.602}
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{0 CHEMBL1079449,1 1,2 1,3 3.235,4 6.733,5 6.733,6 3.931,7 1,8 1,9 11.031,10 11.031,11 11.031,12 6.111,13 10.78,14 4.142,15 4.142,16 2.682,17 18.217,18 27.995,21 3.63,22 3.63,23 1,24 42.683,25 1,27 5.63,28 0.335,29 3.192,30 3.192,31 5.192,32 3.192,33 5.291,35 2.794,36 7.144,37 4.238,38 2.156,40 0.57,41 4.568,42 4.568,44 0.956,45 8.879,46 8.836,47 4.104,48 1.602,49 4.243,50 2.423,51 2.423,52 10.635,53 2.365,54 132.667,55 12.399,56 0.7,57 7.928,58 1.6,59 5.413,60 3,61 0.405,62 1.994,63 9,64 1.01,66 5.461,67 -1.015,68 1.605,69 7.699}
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{0 CHEMBL1079617,1 1,2 1,3 3.235,4 6.733,5 6.733,6 3.931,7 1,8 1,9 11.031,10 11.031,11 11.031,12 6.111,13 10.776,14 4.139,15 4.139,16 2.687,17 18.217,18 25.172,21 3.63,22 3.63,23 1,24 42.683,25 1,27 5.63,28 0.337,29 3.192,30 3.192,31 5.192,32 3.192,33 5.289,35 2.794,36 7.144,37 4.238,38 2.113,40 0.603,41 4.568,42 4.568,43 1,44 0.901,45 8.879,46 8.832,47 4.104,48 1.6,49 4.243,50 2.423,51 2.423,52 10.635,53 2.004,54 113.715,55 12.399,56 0.7,57 7.928,58 3.3,59 5.413,60 3,61 0.42,62 1.993,63 9,64 1.071,66 5.461,67 -1.02,68 1.605,69 7.097}
{0 CHEMBL1079618,1 1,2 1,3 3.249,4 6.745,5 6.745,6 3.931,7 1,8 1,9 11.083,10 11.083,11 11.083,12 6.111,13 10.759,14 4.169,15 4.169,16 2.689,17 18.346,18 22.969,21 3.63,22 3.63,23 1,24 42.683,25 1,27 5.63,28 0.348,29 3.213,30 3.213,31 5.213,32 3.213,33 5.322,35 2.794,36 7.144,37 4.238,38 2.016,40 0.617,41 4.601,42 4.601,44 0.978,45 8.879,46 8.819,47 4.104,48 1.603,49 4.243,50 2.423,51 2.423,52 10.635,53 1.847,54 113.715,55 12.399,56 0.696,57 7.928,58 1.7,59 5.446,60 3,61 0.393,62 1.996,63 9,64 1.054,66 5.461,67 -1.022,68 1.605,69 7.301}
{0 CHEMBL1079646,1 1,2 1,3 3.231,4 6.726,5 6.726,6 3.931,7 1,8 1,9 11,10 11,11 11,12 6.111,13 10.725,14 4.121,15 4.121,16 2.687,17 18.149,18 20.742,21 3.63,22 3.63,23 1,24 42.683,25 1,27 5.63,28 0.331,29 3.177,30 3.177,31 5.177,32 3.177,33 5.269,35 2.794,36 7.144,37 4.238,38 2.016,40 0.613,41 4.539,42 4.539,44 0.942,45 8.879,46 8.791,47 4.104,48 1.52,49 4.031,50 2.423,51 2.423,52 10.635,54 104.239,55 12.399,56 0.59,57 7.928,58 1.8,59 5.384,60 3,61 0.417,62 1.949,63 10,64 1.058,66 5.461,67 -1.021,68 1.539,69 7.222}
{0 CHEMBL1079668,1 1,2 1,3 3.301,4 6.731,5 6.731,6 3.952,7 1,8 1,9 11.023,10 11.023,11 11.023,12 6.111,13 10.752,14 4.132,15 4.132,16 2.694,17 18.207,18 18.619,21 3.63,22 3.63,23 1,24 42.683,25 1,27 5.63,28 0.344,29 3.188,30 3.188,31 5.188,32 3.188,33 5.281,35 2.88,36 7.144,37 4.238,38 2.011,40 0.628,41 4.551,42 4.551,43 1,44 0.947,45 8.88,46 8.812,47 4.104,48 1.543,49 4.194,50 2.423,51 2.423,52 10.635,54 94.762,55 12.399,56 0.603,57 7.928,58 1.7,59 5.396,60 3,61 0.504,62 1.933,63 11,64 1.117,66 5.464,67 -1.028,68 1.559,69 6.886}
{0 CHEMBL1079669,1 1,2 1,3 3.788,4 7.111,5 7.111,6 5.62,7 1,8 1,9 11.661,10 11.661,11 11.661,12 9.425,13 11.335,14 4.189,15 4.189,16 5.669,17 18.839,18 19.339,21 4.46,22 4.46,23 1,24 42.683,25 1,27 6.46,28 0.301,29 3.319,30 3.319,31 5.319,32 3.319,33 5.337,35 3.589,36 10.761,37 6.771,38 2.034,40 0.963,41 4.551,42 4.551,43 1,44 0.966,45 13.427,46 9.283,47 5.506,48 1.574,49 4.079,50 3.825,51 3.825,52 16.104,54 113.715,55 18.785,56 0.776,57 12.09,58 1.5,59 5.411,60 2,61 0.539,62 1.968,63 9,64 0.929,65 -0.919,66 8.129,67 -1.016,68 1.57,69 5.728}
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{0 CHEMBL1079826,1 1,2 1,3 3.63,4 7.111,5 7.111,6 5.62,7 1,8 1,9 11.661,10 11.661,11 11.661,12 9.425,13 10.883,14 4.189,15 4.189,16 5.672,17 18.839,18 17.496,20 1,21 4.46,22 4.46,23 1,24 42.683,25 1,27 6.46,28 0.301,29 3.319,30 3.319,31 5.319,32 3.319,33 5.338,35 3.589,36 10.761,37 6.771,38 2.038,40 0.804,41 4.551,42 4.551,44 0.888,45 13.427,46 8.913,47 5.506,48 1.584,49 4.271,50 3.825,51 3.825,52 16.104,54 104.239,55 18.785,56 0.696,57 12.09,58 1.5,59 5.396,60 3,61 0.689,62 1.968,63 10,64 0.929,66 8.129,67 -1.057,68 1.581,69 7.699}
{0 CHEMBL107991,1 1,2 1,3 3.221,4 7.594,5 7.594,6 3.926,7 1,8 1,9 13.687,10 13.687,11 13.687,12 6.111,13 11.769,14 4.443,15 4.443,16 2.586,17 20.699,18 19.042,19 1,20 1,21 4.154,22 4.154,23 1,24 42.683,25 1,27 6.154,28 0.252,29 3.487,30 3.487,31 5.487,32 3.487,33 5.553,34 1,35 2.897,36 7.14,37 4.238,38 2.07,40 1.447,41 4.574,42 4.574,43 1,44 1.013,45 8.879,46 9.649,47 4.104,48 1.713,49 4.183,50 2.423,51 2.423,52 10.635,54 94.762,55 12.399,56 0.946,57 7.928,59 5.519,60 1,61 0.786,62 1.963,63 8,64 1.239,66 5.451,67 -0.92,68 1.744,69 4.301}
{0 CHEMBL1079910,1 1,2 1,3 3.228,4 6.726,5 6.726,6 3.931,7 1,8 1,9 11,10 11,11 11,12 6.111,13 10.749,14 4.162,15 4.162,16 2.693,17 18.15,18 21.252,21 3.63,22 3.63,23 1,24 42.683,25 1,27 5.63,28 0.325,29 3.178,30 3.178,31 5.178,32 3.178,33 5.249,35 2.794,36 7.144,37 4.238,38 2.072,40 0.595,41 4.539,42 4.539,43 1,44 0.945,45 8.879,46 8.81,47 4.104,48 1.647,49 4.043,50 2.423,51 2.423,52 10.635,54 104.239,55 12.399,56 0.699,57 7.928,58 1.5,59 5.385,60 3,61 0.505,62 1.991,63 10,64 1.192,66 5.461,67 -1.026,68 1.619,69 8}
{0 CHEMBL1079911,1 1,2 1,3 3.228,4 6.726,5 6.726,6 3.931,7 1,8 1,9 11.001,10 11.001,11 11.001,12 6.111,13 10.785,14 4.165,15 4.165,16 2.697,17 18.155,18 31.249,21 3.63,22 3.63,23 1,24 42.683,25 1,27 5.63,28 0.326,29 3.18,30 3.18,31 5.18,32 3.18,33 5.252,35 2.794,36 7.144,37 4.238,38 2.093,40 0.617,41 4.542,42 4.542,43 1,44 0.941,45 8.879,46 8.838,47 4.104,48 1.648,49 4.223,50 2.423,51 2.423,52 10.635,54 151.62,55 12.399,56 0.699,57 7.928,58 1.5,59 5.387,60 3,61 0.486,62 1.998,63 11,64 1.09,66 5.461,67 -1.031,68 1.619,69 8}
{0 CHEMBL1079925,1 1,2 1,3 3.63,4 6.726,5 6.726,6 5.798,7 1,8 1,9 11,10 11,11 11,12 9.783,13 10.749,14 4.123,15 4.123,16 6.025,17 18.152,18 18.065,21 4.437,22 4.437,23 1,24 42.683,25 1,27 6.437,28 0.304,29 3.184,30 3.184,31 5.184,32 3.184,33 5.274,35 3.671,36 11.173,37 7.016,38 2.021,40 0.51,41 4.54,42 4.54,43 1,44 0.677,45 13.95,46 8.802,47 5.712,48 1.593,49 4.192,50 4.032,51 4.032,52 16.734,54 104.239,55 19.521,56 0.7,57 12.558,58 1.6,59 5.385,60 3,61 0.487,62 1.96,63 10,64 0.945,66 8.426,67 -1.069,68 1.601,69 7.495}
{0 CHEMBL1079944,1 1,2 1,3 3.612,4 7.119,5 7.119,6 5.474,7 1,8 1,9 11.704,10 11.704,11 11.704,12 9.388,13 23.57,14 4.202,15 4.202,16 6.001,17 18.781,18 9.729,20 5,21 4.461,22 4.461,23 1,24 60.694,26 1,27 6.461,28 0.34,29 3.33,30 3.33,31 5.33,32 3.33,33 5.242,35 3.375,36 10.735,37 6.69,38 2.074,40 1.041,41 4.502,42 4.502,44 0.665,45 13.417,46 9.039,47 5.335,48 1.46,49 4.21,50 3.825,51 3.825,52 16.1,54 85.286,55 18.783,56 0.674,57 12.074,58 1.7,59 5.398,60 1,61 0.818,62 1.96,63 9,64 0.884,66 8.065,67 -2.22,68 1.479,69 7.276}
{0 CHEMBL1079961,1 1,2 1,3 3.628,4 6.726,5 6.726,6 5.304,7 1,8 1,9 11,10 11,11 11,12 6.111,13 10.638,14 4.117,15 4.117,16 2.712,17 18.15,18 20.871,20 1,21 4.411,22 4.411,23 1,24 42.683,25 1,27 6.411,28 0.285,29 3.177,30 3.177,31 5.177,32 3.177,33 5.304,35 3.528,36 9.452,37 4.238,38 2.021,40 0.615,41 4.539,42 4.539,43 2,44 1.156,45 11.581,46 8.717,47 5.9,48 1.557,49 4.041,50 2.95,51 2.95,52 13.722,54 104.239,55 15.87,56 0.694,57 7.928,58 1.5,59 5.473,60 1,61 0.434,62 1.956,63 10,64 1.095,66 7.346,67 -1.045,68 1.561,69 5}
{0 CHEMBL1079962,1 1,2 1,3 3.628,4 6.726,5 6.726,6 5.304,7 1,8 1,9 11,10 11,11 11,12 6.111,13 10.644,14 4.117,15 4.117,16 2.716,17 18.15,18 20.763,20 1,21 4.412,22 4.412,23 1,24 42.683,25 1,27 6.412,28 0.293,29 3.177,30 3.177,31 5.177,32 3.177,33 5.308,35 3.528,36 9.452,37 4.238,38 2.021,40 0.629,41 4.539,42 4.539,43 1,44 1.168,45 11.581,46 8.721,47 5.9,48 1.556,49 4.041,50 2.95,51 2.95,52 13.722,54 104.239,55 15.87,56 0.613,57 7.928,58 1.6,59 5.46,60 1,61 0.392,62 1.943,63 10,64 1.084,66 7.346,67 -1.05,68 1.561,69 5}
{0 CHEMBL1079965,1 1,2 1,3 3.63,4 6.733,5 6.733,6 5.801,7 1,8 1,9 11.031,10 11.031,11 11.031,12 9.783,13 10.767,14 4.139,15 4.139,16 6.036,17 18.219,18 16.069,21 4.437,22 4.437,23 1,24 42.683,25 1,27 6.437,28 0.326,29 3.196,30 3.196,31 5.196,32 3.196,33 5.29,35 3.708,36 11.173,37 7.016,38 2.016,40 0.512,41 4.554,42 4.554,43 1,44 0.67,45 13.95,46 8.816,47 5.712,48 1.582,49 4.238,50 4.032,51 4.032,52 16.734,54 94.762,55 19.521,56 0.7,57 12.558,58 1.6,59 5.498,60 3,61 0.492,62 1.957,63 11,64 0.935,66 8.426,67 -1.073,68 1.595,69 7.77}
{0 CHEMBL1079981,1 1,2 1,3 3.628,4 7.111,5 7.111,6 5.62,7 1,8 1,9 11.661,10 11.661,11 11.661,12 9.425,13 10.714,14 4.189,15 4.189,16 5.674,17 18.839,18 18.721,19 1,20 1,21 4.46,22 4.46,23 1,24 42.683,25 1,27 6.46,28 0.298,29 3.319,30 3.319,31 5.319,32 3.319,33 5.338,35 3.589,36 10.761,37 6.771,38 2.027,40 0.835,41 4.551,42 4.551,43 2,44 0.939,45 13.427,46 8.771,47 5.506,48 1.529,49 4.076,50 3.825,51 3.825,52 16.104,54 113.715,55 18.785,56 0.597,57 12.09,58 1.8,59 5.401,60 1,61 0.696,62 1.967,63 9,64 0.887,66 8.129,67 -1.092,68 1.541,69 5}
{0 CHEMBL1079982,1 1,2 1,3 3.63,4 7.111,5 7.111,6 5.62,7 1,8 1,9 11.661,10 11.661,11 11.661,12 9.425,13 10.845,14 4.189,15 4.189,16 5.68,17 18.839,18 18.767,20 1,21 4.46,22 4.46,23 1,24 42.683,25 1,27 6.46,28 0.298,29 3.319,30 3.319,31 5.319,32 3.319,33 5.34,34 1,35 3.589,36 10.761,37 6.771,38 2.027,40 0.858,41 4.551,42 4.551,44 0.92,45 13.427,46 8.874,47 5.506,48 1.531,49 4.2,50 3.825,51 3.825,52 16.104,54 113.715,55 18.785,56 0.597,57 12.09,58 1.8,59 5.417,60 2,61 0.842,62 1.968,63 9,64 0.887,66 8.129,67 -1.116,68 1.542,69 5}
{0 CHEMBL1079983,1 1,2 1,3 3.63,4 6.726,5 6.726,6 5.798,7 1,8 1,9 11,10 11,11 11,12 9.783,13 10.732,14 4.122,15 4.122,16 6.032,17 18.152,18 15.615,21 4.437,22 4.437,23 1,24 42.683,25 1,27 6.437,28 0.314,29 3.184,30 3.184,31 5.184,32 3.184,33 5.272,35 3.671,36 11.173,37 7.016,38 2.004,40 0.527,41 4.54,42 4.54,43 2,44 0.665,45 13.95,46 8.787,47 5.712,48 1.556,49 4.192,50 4.032,51 4.032,52 16.734,54 85.286,55 19.521,56 0.588,57 12.558,58 3.4,59 5.385,60 3,61 0.51,62 1.908,63 10,64 0.976,66 8.426,67 -1.074,68 1.542,69 7.846}
{0 CHEMBL1079984,1 1,2 1,3 3.63,4 6.726,5 6.726,6 5.798,7 1,8 1,9 11,10 11,11 11,12 9.783,13 10.728,14 4.121,15 4.121,16 6.041,17 18.152,18 13.516,21 4.437,22 4.437,23 1,24 42.683,25 1,27 6.437,28 0.316,29 3.184,30 3.184,31 5.184,32 3.184,33 5.272,35 3.671,36 11.173,37 7.016,38 2.004,40 0.546,41 4.54,42 4.54,43 3,44 0.642,45 13.95,46 8.783,47 5.712,48 1.556,49 4.192,50 4.032,51 4.032,52 16.734,54 66.334,55 19.521,56 0.587,57 12.558,58 5.2,59 5.385,60 3,61 0.539,62 1.831,63 10,64 1.022,66 8.426,67 -1.079,68 1.542,69 7.469}
{0 CHEMBL1080013,1 1,2 1,3 4.46,4 7.253,5 7.253,6 6.199,7 1,8 1,9 12.272,10 12.272,11 12.272,12 10.097,13 10.819,14 4.27,15 4.27,16 5.967,17 19.768,18 14.777,21 4.472,22 4.472,23 1,24 42.683,25 1,26 1,27 6.472,28 0.301,29 3.385,30 3.385,31 5.385,32 3.385,33 5.419,35 3.977,36 11.438,37 7.419,38 2.032,40 0.944,41 4.56,42 4.56,44 0.938,45 14.113,46 8.83,47 5.409,48 1.536,49 4.415,50 3.825,51 3.825,52 16.794,54 104.239,55 19.476,56 0.597,57 12.773,58 1.6,59 5.405,60 2,61 0.648,62 1.968,63 10,64 0.841,66 8.78,67 -1.214,68 1.542,69 6.42}
{0 CHEMBL1080025,1 1,2 1,3 3.222,4 6.725,5 6.725,6 3.909,7 1,8 1,9 10.996,10 10.996,11 10.996,12 6.111,13 10.689,14 4.115,15 4.115,16 2.674,17 18.139,18 25.691,21 3.63,22 3.63,23 1,24 42.683,25 1,27 5.63,28 0.299,29 3.172,30 3.172,31 5.172,32 3.172,33 5.262,35 2.699,36 7.143,37 4.238,38 2.041,40 0.537,41 4.533,42 4.533,44 0.895,45 8.879,46 8.764,47 4.104,48 1.401,49 3.909,50 2.423,51 2.423,52 10.635,54 123.191,55 12.399,56 0.588,57 7.928,58 1.9,59 5.378,60 3,61 0.356,62 1.986,63 8,64 0.995,66 5.457,67 -1.007,68 1.442,69 5}
{0 CHEMBL1080026,1 1,2 1,3 3.232,4 6.726,5 6.726,6 3.909,7 1,8 1,9 10.999,10 10.999,11 10.999,12 6.111,13 10.709,14 4.12,15 4.12,16 2.688,17 18.147,18 20.49,21 3.63,22 3.63,23 1,24 42.683,25 1,27 5.63,28 0.333,29 3.177,30 3.177,31 5.177,32 3.177,33 5.268,35 2.699,36 7.143,37 4.238,38 2.008,40 0.623,41 4.539,42 4.539,44 0.886,45 8.879,46 8.778,47 4.104,48 1.399,49 4.019,50 2.423,51 2.423,52 10.635,54 104.239,55 12.399,56 0.587,57 7.928,58 1.9,59 5.384,60 3,61 0.398,62 1.941,63 10,64 0.992,66 5.457,67 -1.022,68 1.442,69 6.292}
{0 CHEMBL1080032,1 1,2 1,3 3.63,4 7.111,5 7.111,6 5.62,7 1,8 1,9 11.661,10 11.661,11 11.661,12 9.425,13 10.95,14 4.19,15 4.19,16 5.68,17 18.867,18 22.939,20 2,21 4.46,22 4.46,23 1,24 42.683,25 1,27 6.46,28 0.32,29 3.319,30 3.319,31 5.319,32 3.319,33 5.34,35 3.589,36 10.761,37 6.771,38 2.13,40 0.816,41 4.589,42 4.589,44 0.906,45 13.427,46 8.964,47 5.506,48 1.552,49 4.414,50 3.825,51 3.825,52 16.104,53 1.435,54 132.667,55 18.785,56 0.649,57 12.09,58 1.6,59 5.437,60 3,61 0.746,62 1.968,63 9,64 0.858,66 8.129,67 -1.079,68 1.552,69 5.533}
{0 CHEMBL1080033,1 1,2 1,3 3.644,4 7.111,5 7.111,6 5.605,7 1,8 1,9 11.661,10 11.661,11 11.661,12 9.423,13 11.179,14 4.189,15 4.189,16 5.668,17 18.839,18 23.281,21 4.46,22 4.46,23 1,24 42.683,25 1,26 1,27 6.46,28 0.326,29 3.319,30 3.319,31 5.319,32 3.319,33 5.338,35 3.54,36 10.759,37 6.769,38 2.156,40 0.804,41 4.552,42 4.552,44 0.925,45 13.426,46 9.169,47 5.458,48 1.544,49 4.415,50 3.825,51 3.825,52 16.103,53 1.697,54 132.667,55 18.784,56 0.604,57 12.089,58 1.6,59 5.387,60 3,61 0.58,62 1.968,63 9,64 0.83,66 8.124,67 -0.9,68 1.546,69 6.131}
{0 CHEMBL1080108,1 1,2 1,3 3.63,4 6.726,5 6.726,6 5.798,7 1,8 1,9 11,10 11,11 11,12 9.783,13 10.762,14 4.123,15 4.123,16 6.026,17 18.152,18 18.156,21 4.437,22 4.437,23 1,24 42.683,25 1,27 6.437,28 0.296,29 3.184,30 3.184,31 5.184,32 3.184,33 5.274,35 3.671,36 11.173,37 7.016,38 2.022,40 0.518,41 4.54,42 4.54,43 1,44 0.689,45 13.95,46 8.813,47 5.712,48 1.597,49 4.192,50 4.032,51 4.032,52 16.734,54 104.239,55 19.521,56 0.7,57 12.558,58 1.5,59 5.385,60 3,61 0.472,62 1.963,63 10,64 0.958,66 8.426,67 -1.069,68 1.602,69 7.456}
{0 CHEMBL1080109,1 1,2 1,3 3.228,4 6.726,5 6.726,6 3.931,7 1,8 1,9 11,10 11,11 11,12 6.111,13 10.742,14 4.16,15 4.16,16 2.701,17 18.15,18 16.639,21 3.63,22 3.63,23 1,24 42.683,25 1,27 5.63,28 0.329,29 3.178,30 3.178,31 5.178,32 3.178,33 5.247,35 2.794,36 7.144,37 4.238,38 2.069,40 0.647,41 4.539,42 4.539,43 3,44 0.848,45 8.879,46 8.802,47 4.104,48 1.646,49 4.043,50 2.423,51 2.423,52 10.635,54 66.334,55 12.399,56 0.699,57 7.928,58 4.8,59 5.385,60 3,61 0.544,62 1.868,63 10,64 1.328,66 5.461,67 -1.035,68 1.618,69 8.023}
{0 CHEMBL1080140,1 1,2 1,3 3.628,4 6.726,5 6.726,6 5.304,7 1,8 1,9 11,10 11,11 11,12 6.111,13 10.652,14 4.117,15 4.117,16 2.721,17 18.15,18 20.627,20 1,21 4.413,22 4.413,23 1,24 42.683,25 1,27 6.413,28 0.301,29 3.177,30 3.177,31 5.177,32 3.177,33 5.317,35 3.528,36 9.452,37 4.238,38 2.021,40 0.613,41 4.539,42 4.539,43 1,44 1.189,45 11.581,46 8.727,47 5.9,48 1.555,49 4.041,50 2.95,51 2.95,52 13.722,54 104.239,55 15.87,56 0.609,57 7.928,58 1.6,59 5.442,60 1,61 0.407,62 1.936,63 10,64 1.072,66 7.346,67 -1.055,68 1.561,69 5}
{0 CHEMBL1080143,1 1,2 1,3 3.63,4 6.726,5 6.726,6 5.796,7 1,8 1,9 11.002,10 11.002,11 11.002,12 9.783,13 10.782,14 4.126,15 4.126,16 6.021,17 18.157,18 18.812,21 4.437,22 4.437,23 1,24 42.683,25 1,27 6.437,28 0.308,29 3.185,30 3.185,31 5.185,32 3.185,33 5.276,35 3.658,36 11.173,37 7.016,38 2.044,40 0.46,41 4.541,42 4.541,43 1,44 0.715,45 13.95,46 8.83,47 5.712,48 1.594,49 4.195,50 4.032,51 4.032,52 16.734,54 104.239,55 19.521,56 0.816,57 12.558,58 2.9,59 5.387,60 3,61 0.49,62 1.976,63 10,64 1.027,66 8.426,67 -1.065,68 1.638,69 7.523}
{0 CHEMBL1080168,1 1,2 1,3 3.628,4 7.111,5 7.111,6 5.62,7 1,8 1,9 11.661,10 11.661,11 11.661,12 9.425,13 10.699,14 4.189,15 4.189,16 5.671,17 18.839,18 17.222,20 1,21 4.46,22 4.46,23 1,24 42.683,25 1,27 6.46,28 0.319,29 3.319,30 3.319,31 5.319,32 3.319,33 5.339,35 3.589,36 10.761,37 6.771,38 2.027,40 0.83,41 4.551,42 4.551,44 0.934,45 13.427,46 8.762,47 5.506,48 1.529,49 4.243,50 3.825,51 3.825,52 16.104,54 104.239,55 18.785,56 0.597,57 12.09,58 1.7,59 5.399,60 2,61 0.794,62 1.968,63 10,64 0.902,66 8.129,67 -1.071,68 1.542,69 5.646}
{0 CHEMBL1080172,1 1,2 1,3 3.63,4 6.726,5 6.726,6 5.798,7 1,8 1,9 11.001,10 11.001,11 11.001,12 9.783,13 10.754,14 4.121,15 4.121,16 6.044,17 18.153,18 13.605,21 4.437,22 4.437,23 1,24 42.683,25 1,27 6.437,28 0.326,29 3.184,30 3.184,31 5.184,32 3.184,33 5.272,35 3.671,36 11.173,37 7.016,38 2.004,40 0.511,41 4.54,42 4.54,43 3,44 0.621,45 13.95,46 8.805,47 5.712,48 1.592,49 4.192,50 4.032,51 4.032,52 16.734,54 66.334,55 19.521,56 0.7,57 12.558,58 4.7,59 5.385,60 3,61 0.54,62 1.901,63 10,64 1.046,65 -0.108,66 8.426,67 -1.079,68 1.598,69 7.854}
{0 CHEMBL1080173,1 1,2 1,3 3.63,4 6.725,5 6.725,6 5.795,7 1,8 1,9 10.998,10 10.998,11 10.998,12 9.783,13 10.694,14 4.16,15 4.16,16 6.044,17 18.147,18 16.834,21 4.437,22 4.437,23 1,24 42.683,25 1,27 6.437,28 0.309,29 3.181,30 3.181,31 5.181,32 3.181,33 5.246,35 3.633,36 11.173,37 7.016,38 2.007,40 0.528,41 4.537,42 4.537,43 2,44 0.634,45 13.95,46 8.756,47 5.712,48 1.554,49 4.19,50 4.032,51 4.032,52 16.734,54 85.286,55 19.521,56 0.584,57 12.558,58 3.6,59 5.382,60 3,61 0.44,62 1.924,63 9,64 0.994,66 8.426,67 -1.082,68 1.448,69 8.155}
{0 CHEMBL1080184,1 1,2 1,3 3.63,4 6.726,5 6.726,6 5.798,7 1,8 1,9 11,10 11,11 11,12 9.783,13 10.716,14 4.161,15 4.161,16 6.067,17 18.152,18 12.914,21 4.437,22 4.437,23 1,24 42.683,25 1,27 6.437,28 0.326,29 3.184,30 3.184,31 5.184,32 3.184,33 5.248,35 3.671,36 11.173,37 7.016,38 2.004,40 0.57,41 4.54,42 4.54,43 4,44 0.654,45 13.95,46 8.772,47 5.712,48 1.574,49 4.192,50 4.032,51 4.032,52 16.734,54 66.334,55 19.521,56 0.584,57 12.558,58 5.2,59 5.385,60 3,61 0.478,62 1.831,63 10,64 1.088,66 8.426,67 -1.093,68 1.548,69 7.854}
{0 CHEMBL1080187,1 1,2 1,3 3.629,4 6.726,5 6.726,6 5.298,7 1,8 1,9 11.004,10 11.004,11 11.004,12 6.111,13 10.782,14 4.119,15 4.119,16 2.669,17 18.155,18 21.513,21 4.558,22 4.558,23 1,24 42.683,25 1,27 6.558,28 0.329,29 3.181,30 3.181,31 5.181,32 3.181,33 5.327,35 3.484,36 9.452,37 4.238,38 2.021,40 0.576,41 4.542,42 4.542,43 2,44 1.068,45 11.581,46 8.84,47 5.9,48 1.503,49 4.041,50 2.95,51 2.95,52 13.722,54 104.239,55 15.87,56 0.604,57 7.928,58 1.8,59 5.361,60 3,61 0.421,62 1.961,63 10,64 1.016,66 7.346,67 -1.002,68 1.525,69 5.851}
{0 CHEMBL1080188,1 1,2 1,3 3.63,4 6.726,5 6.726,6 5.798,7 1,8 1,9 11,10 11,11 11,12 9.783,13 10.773,14 4.123,15 4.123,16 6.026,17 18.152,18 18.223,21 4.437,22 4.437,23 1,24 42.683,25 1,27 6.437,28 0.288,29 3.184,30 3.184,31 5.184,32 3.184,33 5.274,35 3.671,36 11.173,37 7.016,38 2.024,40 0.502,41 4.54,42 4.54,43 1,44 0.721,45 13.95,46 8.822,47 5.712,48 1.6,49 4.192,50 4.032,51 4.032,52 16.734,54 104.239,55 19.521,56 0.709,57 12.558,58 1.4,59 5.386,60 3,61 0.456,62 1.972,63 10,64 0.97,66 8.426,67 -1.068,68 1.603,69 7.585}
{0 CHEMBL1080312,1 1,2 1,3 3.628,4 6.726,5 6.726,6 5.627,7 1,8 1,9 11,10 11,11 11,12 6.111,13 10.703,14 4.117,15 4.117,16 2.704,17 18.15,18 20.979,20 2,21 4.443,22 4.443,23 1,24 42.683,25 1,27 6.443,28 0.315,29 3.178,30 3.178,31 5.178,32 3.178,33 5.312,34 1,35 3.6,36 10.224,37 4.238,38 2.021,40 0.607,41 4.54,42 4.54,43 1,44 1.169,45 12.573,46 8.771,47 6.545,48 1.503,49 4.041,50 3.272,51 3.272,52 14.933,54 104.239,55 17.298,56 0.603,57 7.928,58 1.8,59 5.387,60 1,61 0.433,62 1.96,63 10,64 1.015,66 7.896,67 -1.037,68 1.525,69 5.481}
{0 CHEMBL1080349,1 1,2 1,3 3.63,4 6.726,5 6.726,6 5.798,7 1,8 1,9 11.001,10 11.001,11 11.001,12 9.783,13 10.762,14 4.123,15 4.123,16 6.027,17 18.153,18 18.109,21 4.437,22 4.437,23 1,24 42.683,25 1,27 6.437,28 0.323,29 3.184,30 3.184,31 5.184,32 3.184,33 5.274,35 3.671,36 11.173,37 7.016,38 2.023,40 0.484,41 4.54,42 4.54,43 1,44 0.665,45 13.95,46 8.813,47 5.712,48 1.596,49 4.192,50 4.032,51 4.032,52 16.734,54 104.239,55 19.521,56 0.7,57 12.558,58 1.5,59 5.385,60 3,61 0.49,62 1.964,63 10,64 0.958,65 0.017,66 8.426,67 -1.07,68 1.601,69 8.078}
{0 CHEMBL1080355,1 1,2 1,3 3.228,4 6.726,5 6.726,6 3.931,7 1,8 1,9 11,10 11,11 11,12 6.111,13 10.761,14 4.122,15 4.122,16 2.679,17 18.15,18 21.946,21 3.63,22 3.63,23 1,24 42.683,25 1,27 5.63,28 0.316,29 3.178,30 3.178,31 5.178,32 3.178,33 5.271,35 2.794,36 7.144,37 4.238,38 2.069,40 0.553,41 4.539,42 4.539,44 0.976,45 8.879,46 8.822,47 4.104,48 1.606,49 4.043,50 2.423,51 2.423,52 10.635,54 104.239,55 12.399,56 0.7,57 7.928,58 1.5,59 5.385,60 3,61 0.426,62 1.99,63 10,64 1.099,66 5.461,67 -1.012,68 1.605,69 6.292}
{0 CHEMBL1080356,1 1,2 1,3 3.539,4 7.111,5 7.111,6 3.931,7 1,8 1,9 11.661,10 11.661,11 11.661,12 6.111,13 10.775,14 4.317,15 4.317,16 2.681,17 18.839,18 21.92,21 3.63,22 3.63,23 1,24 42.683,25 1,27 5.63,28 0.307,29 3.319,30 3.319,31 5.319,32 3.319,33 5.466,35 2.794,36 7.144,37 4.238,38 2.091,40 0.507,41 4.551,42 4.551,44 0.982,45 8.879,46 8.833,47 4.104,48 1.606,49 4.244,50 2.423,51 2.423,52 10.635,54 104.239,55 12.399,56 0.7,57 7.928,58 1.5,59 5.396,60 3,61 0.406,62 1.994,63 10,64 1.11,66 5.461,67 -1.014,68 1.605,69 6.143}
{0 CHEMBL1080361,1 1,2 1,3 3.788,4 6.726,5 6.726,6 5.277,7 1,8 1,9 11.004,10 11.004,11 11.004,12 6.05,13 11.388,14 4.119,15 4.119,16 2.505,17 18.155,18 23.435,21 4.558,22 4.558,23 1,24 42.683,25 1,26 1,27 6.558,28 0.335,29 3.181,30 3.181,31 5.181,32 3.181,33 5.325,35 3.429,36 9.443,37 4.213,38 2.026,40 1.151,41 4.542,42 4.542,43 1,44 1.123,45 11.573,46 9.348,47 5.9,48 1.502,49 4.041,50 2.95,51 2.95,52 13.716,54 113.715,55 15.866,56 0.574,57 7.838,58 1.8,59 5.336,60 2,61 0.539,62 1.961,63 9,64 0.971,65 -0.563,66 7.333,67 -0.838,68 1.524,69 5.495}
{0 CHEMBL1080363,1 1,2 1,3 3.229,4 6.726,5 6.726,6 3.952,7 1,8 1,9 11,10 11,11 11,12 6.111,13 10.729,14 4.162,15 4.162,16 2.7,17 18.15,18 20.299,21 3.63,22 3.63,23 1,24 42.683,25 1,27 5.63,28 0.339,29 3.178,30 3.178,31 5.178,32 3.178,33 5.249,35 2.88,36 7.144,37 4.238,38 2.025,40 0.652,41 4.539,42 4.539,43 2,44 0.978,45 8.88,46 8.792,47 4.104,48 1.566,49 4.041,50 2.423,51 2.423,52 10.635,54 104.239,55 12.399,56 0.594,57 7.928,58 1.7,59 5.384,60 3,61 0.497,62 1.963,63 10,64 1.218,66 5.464,67 -1.033,68 1.565,69 6.921}
{0 CHEMBL1080365,1 1,2 1,3 3.63,4 6.726,5 6.726,6 5.798,7 1,8 1,9 11.001,10 11.001,11 11.001,12 9.783,13 10.743,14 4.161,15 4.161,16 6.07,17 18.153,18 13.003,21 4.437,22 4.437,23 1,24 42.683,25 1,27 6.437,28 0.335,29 3.184,30 3.184,31 5.184,32 3.184,33 5.249,35 3.671,36 11.173,37 7.016,38 2.004,40 0.534,41 4.54,42 4.54,43 4,44 0.632,45 13.95,46 8.794,47 5.712,48 1.651,49 4.192,50 4.032,51 4.032,52 16.734,54 66.334,55 19.521,56 0.699,57 12.558,58 4.7,59 5.385,60 3,61 0.481,62 1.901,63 10,64 1.11,65 -0.129,66 8.426,67 -1.092,68 1.618,69 9}
{0 CHEMBL1080366,1 1,2 1,3 3.627,4 7.111,5 7.111,6 5.62,7 1,8 1,9 11.661,10 11.661,11 11.661,12 9.425,13 10.614,14 4.189,15 4.189,16 5.668,17 18.839,18 18.696,21 4.46,22 4.46,23 1,24 42.683,25 1,27 6.46,28 0.298,29 3.319,30 3.319,31 5.319,32 3.319,33 5.338,35 3.589,36 10.761,37 6.771,38 2.027,40 0.856,41 4.551,42 4.551,44 0.945,45 13.427,46 8.692,47 5.506,48 1.528,49 4.045,50 3.825,51 3.825,52 16.104,54 113.715,55 18.785,56 0.597,57 12.09,58 1.8,59 5.396,60 2,61 0.584,62 1.967,63 9,64 0.887,66 8.129,67 -1.074,68 1.54,69 6.032}
{0 CHEMBL1080368,1 1,2 1,3 3.63,4 6.726,5 6.726,6 5.798,7 1,8 1,9 11.001,10 11.001,11 11.001,12 9.783,13 10.751,14 4.163,15 4.163,16 6.053,17 18.153,18 17.414,21 4.437,22 4.437,23 1,24 42.683,25 1,27 6.437,28 0.332,29 3.184,30 3.184,31 5.184,32 3.184,33 5.25,35 3.671,36 11.173,37 7.016,38 2.026,40 0.506,41 4.54,42 4.54,43 2,44 0.676,45 13.95,46 8.801,47 5.712,48 1.652,49 4.192,50 4.032,51 4.032,52 16.734,54 104.239,55 19.521,56 0.699,57 12.558,58 1.5,59 5.385,60 3,61 0.436,62 1.966,63 10,64 1.016,65 -0.004,66 8.426,67 -1.083,68 1.619,69 7.886}
{0 CHEMBL1080369,1 1,2 1,3 3.63,4 6.733,5 6.733,6 5.818,7 1,8 1,9 11.031,10 11.031,11 11.031,12 9.783,13 10.752,14 4.141,15 4.141,16 6.035,17 18.22,18 15.989,21 4.437,22 4.437,23 1,24 42.683,25 1,27 6.437,28 0.335,29 3.197,30 3.197,31 5.197,32 3.197,33 5.293,35 3.744,36 11.174,37 7.016,38 2.005,40 0.515,41 4.555,42 4.555,43 1,44 0.651,45 13.95,46 8.804,47 5.712,48 1.547,49 4.242,50 4.032,51 4.032,52 16.734,54 94.762,55 19.521,56 0.587,57 12.558,58 1.7,59 5.401,60 3,61 0.491,62 1.93,63 11,64 0.921,66 8.429,67 -1.074,68 1.487,69 7.509}
{0 CHEMBL1080469,1 1,2 1,3 3.612,4 7.119,5 7.119,6 5.474,7 1,8 1,9 11.704,10 11.704,11 11.704,12 9.388,13 23.59,14 4.202,15 4.202,16 5.969,17 18.781,18 13.235,20 5,21 4.461,22 4.461,23 1,24 60.694,26 1,27 6.461,28 0.315,29 3.33,30 3.33,31 5.33,32 3.33,33 5.242,35 3.375,36 10.735,37 6.69,38 2.087,40 1.009,41 4.502,42 4.502,44 0.677,45 13.417,46 9.081,47 5.335,48 1.46,49 4.196,50 3.825,51 3.825,52 16.1,54 94.762,55 18.783,56 0.675,57 12.074,58 1.7,59 5.398,60 1,61 0.808,62 1.962,63 8,64 0.899,66 8.065,67 -1.915,68 1.479,69 6.77}
{0 CHEMBL1080470,1 1,2 1,3 3.612,4 7.119,5 7.119,6 5.474,7 1,8 1,9 11.704,10 11.704,11 11.704,12 9.388,13 23.815,14 4.202,15 4.202,16 5.973,17 18.781,18 13.201,20 5,21 4.461,22 4.461,23 1,24 60.694,26 1,27 6.461,28 0.315,29 3.33,30 3.33,31 5.33,32 3.33,33 5.242,35 3.375,36 10.735,37 6.69,38 2.087,40 1.013,41 4.502,42 4.502,44 0.647,45 13.417,46 9.252,47 5.335,48 1.455,49 4.198,50 3.825,51 3.825,52 16.1,54 94.762,55 18.783,56 0.673,57 12.074,58 1.7,59 5.398,60 2,61 0.757,62 1.962,63 8,64 0.899,66 8.065,67 -1.952,68 1.477,69 7.538}
{0 CHEMBL1080532,1 1,2 1,3 3.226,4 6.725,5 6.725,6 3.931,7 1,8 1,9 10.998,10 10.998,11 10.998,12 6.111,13 10.715,14 4.119,15 4.119,16 2.68,17 18.144,18 23.329,21 3.63,22 3.63,23 1,24 42.683,25 1,27 5.63,28 0.314,29 3.175,30 3.175,31 5.175,32 3.175,33 5.266,35 2.794,36 7.144,37 4.238,38 2.034,40 0.575,41 4.536,42 4.536,43 1,44 0.912,45 8.879,46 8.784,47 4.104,48 1.526,49 4.003,50 2.423,51 2.423,52 10.635,54 113.715,55 12.399,56 0.596,57 7.928,58 1.8,59 5.381,60 3,61 0.367,62 1.97,63 9,64 1.059,66 5.461,67 -1.014,68 1.543,69 5.582}
{0 CHEMBL1080533,1 1,2 1,3 3.227,4 6.725,5 6.725,6 3.909,7 1,8 1,9 10.998,10 10.998,11 10.998,12 6.111,13 10.699,14 4.118,15 4.118,16 2.681,17 18.143,18 23.072,21 3.63,22 3.63,23 1,24 42.683,25 1,27 5.63,28 0.317,29 3.175,30 3.175,31 5.175,32 3.175,33 5.265,35 2.699,36 7.143,37 4.238,38 2.031,40 0.581,41 4.536,42 4.536,44 0.898,45 8.879,46 8.771,47 4.104,48 1.401,49 3.983,50 2.423,51 2.423,52 10.635,54 113.715,55 12.399,56 0.587,57 7.928,58 1.9,59 5.381,60 3,61 0.378,62 1.956,63 9,64 0.994,66 5.457,67 -1.015,68 1.442,69 6.886}
{0 CHEMBL1080534,1 1,2 1,3 3.629,4 6.726,5 6.726,6 5.627,7 1,8 1,9 11,10 11,11 11,12 6.111,13 10.75,14 4.162,15 4.162,16 2.674,17 18.15,18 21.014,21 4.437,22 4.437,23 1,24 42.683,25 1,27 6.437,28 0.329,29 3.178,30 3.178,31 5.178,32 3.178,33 5.292,35 3.6,36 10.224,37 4.238,38 2.025,40 0.624,41 4.539,42 4.539,43 2,44 1.041,45 12.573,46 8.813,47 6.545,48 1.565,49 4.041,50 3.272,51 3.272,52 14.933,54 104.239,55 17.298,56 0.594,57 7.928,58 1.7,59 5.384,60 3,61 0.506,62 1.963,63 10,64 1.118,66 7.896,67 -1.007,68 1.565,69 6.18}
{0 CHEMBL1080535,1 1,2 1,3 3.63,4 6.726,5 6.726,6 5.798,7 1,8 1,9 11,10 11,11 11,12 9.783,13 10.774,14 4.123,15 4.123,16 6.028,17 18.152,18 18.186,21 4.437,22 4.437,23 1,24 42.683,25 1,27 6.437,28 0.314,29 3.184,30 3.184,31 5.184,32 3.184,33 5.274,35 3.671,36 11.173,37 7.016,38 2.025,40 0.496,41 4.54,42 4.54,43 1,44 0.701,45 13.95,46 8.822,47 5.712,48 1.598,49 4.192,50 4.032,51 4.032,52 16.734,54 104.239,55 19.521,56 0.7,57 12.558,58 1.4,59 5.386,60 3,61 0.459,62 1.975,63 10,64 0.97,65 0.379,66 8.426,67 -1.069,68 1.602,69 7.201}
{0 CHEMBL1080540,1 1,2 1,3 3.631,4 7.111,5 7.111,6 5.597,7 1,8 1,9 11.661,10 11.661,11 11.661,12 9.421,13 11.056,14 4.189,15 4.189,16 5.667,17 18.839,18 21.227,21 4.46,22 4.46,23 1,24 42.683,25 1,27 6.46,28 0.331,29 3.319,30 3.319,31 5.319,32 3.319,33 5.339,35 3.529,36 10.757,37 6.766,38 2.027,40 0.823,41 4.555,42 4.555,44 0.939,45 13.425,46 9.067,47 5.436,48 1.532,49 4.415,50 3.825,51 3.825,52 16.103,53 1.618,54 122.762,55 18.784,56 0.597,57 12.087,58 3.4,59 5.391,60 2,61 0.585,62 1.968,63 8,64 0.912,66 8.12,67 -0.928,68 1.543,69 6.469}
{0 CHEMBL1080699,1 1,2 1,3 3.63,4 6.726,5 6.726,6 5.798,7 1,8 1,9 11.001,10 11.001,11 11.001,12 9.783,13 10.747,14 4.162,15 4.162,16 6.062,17 18.153,18 15.098,21 4.437,22 4.437,23 1,24 42.683,25 1,27 6.437,28 0.334,29 3.184,30 3.184,31 5.184,32 3.184,33 5.249,35 3.671,36 11.173,37 7.016,38 2.005,40 0.522,41 4.54,42 4.54,43 3,44 0.654,45 13.95,46 8.797,47 5.712,48 1.651,49 4.192,50 4.032,51 4.032,52 16.734,54 85.286,55 19.521,56 0.699,57 12.558,58 3.1,59 5.385,60 3,61 0.457,62 1.931,63 10,64 1.062,65 -0.066,66 8.426,67 -1.088,68 1.618,69 5.604}
{0 CHEMBL1080708,1 1,2 1,3 3.28,4 6.879,5 6.879,6 3.931,7 1,8 1,9 11.534,10 11.534,11 11.534,12 6.111,13 10.787,14 4.215,15 4.215,16 2.682,17 19.082,18 27.908,21 3.63,22 3.63,23 1,24 42.683,25 1,27 5.63,28 0.335,29 3.253,30 3.253,31 5.253,32 3.253,33 5.365,35 2.794,36 7.144,37 4.238,38 2.155,40 0.563,41 4.647,42 4.647,44 0.978,45 8.879,46 8.843,47 4.104,48 1.6,49 4.243,50 2.423,51 2.423,52 10.635,53 2.344,54 132.667,55 12.399,56 0.7,57 7.928,58 1.6,59 5.492,60 3,61 0.425,62 1.992,63 9,64 1.01,66 5.461,67 -1.016,68 1.605,69 5}
{0 CHEMBL1080821,1 1,2 1,3 3.63,4 6.732,5 6.732,6 5.798,7 1,8 1,9 11.024,10 11.024,11 11.024,12 9.783,13 10.733,14 4.135,15 4.135,16 6.068,17 18.209,18 14.555,21 4.437,22 4.437,23 1,24 42.683,25 1,27 6.437,28 0.336,29 3.193,30 3.193,31 5.193,32 3.193,33 5.285,35 3.671,36 11.173,37 7.016,38 2.008,40 0.593,41 4.551,42 4.551,43 1,44 0.734,45 13.95,46 8.785,47 5.712,48 1.556,49 4.216,50 4.032,51 4.032,52 16.734,54 94.762,55 19.521,56 0.59,57 12.558,58 1.7,59 5.397,60 3,61 0.734,62 1.941,63 11,64 0.905,66 8.426,67 -1.093,68 1.542,69 7.252}
{0 CHEMBL1080822,1 1,2 1,3 3.63,4 6.73,5 6.73,6 5.798,7 1,8 1,9 11.02,10 11.02,11 11.02,12 9.783,13 10.765,14 4.129,15 4.129,16 6.063,17 18.203,18 18.071,21 4.437,22 4.437,23 1,24 42.683,25 1,27 6.437,28 0.323,29 3.194,30 3.194,31 5.194,32 3.194,33 5.28,35 3.671,36 11.173,37 7.016,38 2.023,40 0.477,41 4.545,42 4.545,44 0.902,45 13.95,46 8.814,47 5.712,48 1.596,49 4.197,50 4.032,51 4.032,52 16.734,54 104.239,55 19.521,56 0.7,57 12.558,58 1.5,59 5.39,60 3,61 0.606,62 1.964,63 10,64 0.958,65 0.002,66 8.426,67 -1.076,68 1.601,69 7.796}
{0 CHEMBL1080823,1 1,2 1,3 3.23,4 6.726,5 6.726,6 3.931,7 1,8 1,9 11,10 11,11 11,12 6.111,13 10.788,14 4.123,15 4.123,16 2.679,17 18.151,18 22.119,21 3.63,22 3.63,23 1,24 42.683,25 1,27 5.63,28 0.326,29 3.178,30 3.178,31 5.178,32 3.178,33 5.271,35 2.794,36 7.144,37 4.238,38 2.069,40 0.528,41 4.54,42 4.54,44 0.922,45 8.879,46 8.843,47 4.104,48 1.697,49 4.049,50 2.423,51 2.423,52 10.635,54 104.239,55 12.399,56 0.815,57 7.928,58 1.4,59 5.385,60 3,61 0.42,62 1.998,63 10,64 1.121,65 0.113,66 5.461,67 -1.012,68 1.657,69 7.923}
{0 CHEMBL1080873,1 1,2 1,3 4.311,4 6.726,5 6.726,6 5.795,7 1,8 1,9 11.001,10 11.001,11 11.001,12 9.783,13 33.861,14 4.13,15 4.13,16 6.067,17 18.154,18 16.822,20 2,21 4.437,22 4.437,23 1,24 59.088,25 1,27 6.437,28 0.287,29 3.188,30 3.188,31 5.188,32 3.188,33 5.28,34 2,35 3.633,36 11.173,37 7.016,38 2.023,40 0.482,41 4.645,42 4.645,43 1,44 0.693,45 13.95,46 8.802,47 5.712,48 1.595,49 4.244,50 4.032,51 4.032,52 16.734,54 110.046,55 19.521,56 0.7,57 12.558,58 3.1,59 5.49,60 3,61 0.472,62 1.961,63 10,64 0.99,66 8.426,67 -1.094,68 1.601,69 6.111}
{0 CHEMBL1081003,1 1,2 1,3 3.63,4 6.726,5 6.726,6 5.304,7 1,8 1,9 11,10 11,11 11,12 6.111,13 10.697,14 4.117,15 4.117,16 2.667,17 18.15,18 21.476,21 4.411,22 4.411,23 1,24 42.683,25 1,27 6.411,28 0.288,29 3.177,30 3.177,31 5.177,32 3.177,33 5.304,35 3.528,36 9.452,37 4.238,38 2.021,40 0.639,41 4.539,42 4.539,43 2,44 1.098,45 11.581,46 8.772,47 5.9,48 1.557,49 4.041,50 2.95,51 2.95,52 13.722,54 104.239,55 15.87,56 0.7,57 7.928,58 1.4,59 5.471,60 3,61 0.348,62 1.961,63 10,64 1.107,66 7.346,67 -1.001,68 1.562,69 5}
{0 CHEMBL1081004,1 1,2 1,3 3.63,4 6.729,5 6.729,6 5.798,7 1,8 1,9 11.017,10 11.017,11 11.017,12 9.783,13 10.738,14 4.128,15 4.128,16 6.027,17 18.195,18 17.942,21 4.437,22 4.437,23 1,24 42.683,25 1,27 6.437,28 0.313,29 3.187,30 3.187,31 5.187,32 3.187,33 5.278,35 3.671,36 11.173,37 7.016,38 2.019,40 0.5,41 4.544,42 4.544,43 1,44 0.643,45 13.95,46 8.793,47 5.712,48 1.553,49 4.193,50 4.032,51 4.032,52 16.734,54 104.239,55 19.521,56 0.589,57 12.558,58 1.7,59 5.389,60 3,61 0.481,62 1.958,63 10,64 0.931,66 8.426,67 -1.071,68 1.538,69 6.921}
{0 CHEMBL1081044,1 1,2 1,3 3.628,4 6.727,5 6.727,6 5.298,7 1,8 1,9 11.006,10 11.006,11 11.006,12 6.111,13 10.723,14 4.119,15 4.119,16 2.713,17 18.157,18 20.746,20 1,21 4.58,22 4.58,23 1,24 42.683,25 1,27 6.58,28 0.325,29 3.183,30 3.183,31 5.183,32 3.183,33 5.331,35 3.484,36 9.452,37 4.238,38 2.021,40 0.552,41 4.544,42 4.544,43 2,44 1.099,45 11.581,46 8.785,47 5.9,48 1.502,49 4.041,50 2.95,51 2.95,52 13.722,54 104.239,55 15.87,56 0.573,57 7.928,58 1.9,59 5.361,60 1,61 0.481,62 1.915,63 10,64 1,66 7.346,67 -1.047,68 1.524,69 5.197}
{0 CHEMBL1081045,1 1,2 1,3 3.306,4 6.726,5 6.726,6 3.952,7 1,8 1,9 11,10 11,11 11,12 6.111,13 10.681,14 4.122,15 4.122,16 2.731,17 18.15,18 20.33,20 1,21 3.628,22 3.628,23 1,24 42.683,25 1,27 5.628,28 0.325,29 3.178,30 3.178,31 5.178,32 3.178,33 5.272,35 2.88,36 7.144,37 4.238,38 2.021,40 0.592,41 4.54,42 4.54,43 1,44 1.011,45 8.88,46 8.749,47 4.104,48 1.538,49 4.041,50 2.423,51 2.423,52 10.635,54 104.239,55 12.399,56 0.602,57 7.928,58 1.8,59 5.387,60 1,61 0.427,62 1.933,63 10,64 1.105,66 5.464,67 -1.064,68 1.557,69 6.092}
{0 CHEMBL1081046,1 1,2 1,3 3.628,4 6.726,5 6.726,6 5.627,7 1,8 1,9 11,10 11,11 11,12 6.111,13 10.702,14 4.122,15 4.122,16 2.705,17 18.15,18 20.964,20 1,21 4.468,22 4.468,23 1,24 42.683,25 1,27 6.468,28 0.315,29 3.178,30 3.178,31 5.178,32 3.178,33 5.296,35 3.6,36 10.224,37 4.238,38 2.021,40 0.548,41 4.54,42 4.54,43 1,44 1.088,45 12.573,46 8.77,47 6.545,48 1.522,49 4.041,50 3.272,51 3.272,52 14.933,54 104.239,55 17.298,56 0.603,57 7.928,58 1.8,59 5.387,60 1,61 0.431,62 1.917,63 10,64 1.015,66 7.896,67 -1.038,68 1.555,69 7.523}
{0 CHEMBL1081206,1 1,2 1,3 3.588,4 7.111,5 7.111,6 5.477,7 1,8 1,9 11.661,10 11.661,11 11.661,12 9.388,13 11.143,14 4.189,15 4.189,16 5.675,17 18.839,18 18.558,19 1,21 4.46,22 4.46,23 1,24 42.683,27 6.46,28 0.348,29 3.319,30 3.319,31 5.319,32 3.319,33 5.339,35 3.371,36 10.735,37 6.69,38 2.027,40 0.967,41 4.552,42 4.552,43 1,44 0.919,45 13.417,46 9.113,47 5.335,48 1.533,49 4.415,50 3.825,51 3.825,52 16.1,53 1.004,54 113.715,55 18.783,56 0.574,57 12.074,58 1.8,59 5.387,60 1,61 0.643,62 1.968,63 9,64 0.837,66 8.065,67 -1.164,68 1.543,69 5}
{0 CHEMBL1081207,1 1,2 1,3 3.817,4 7.111,5 7.111,6 5.62,7 1,8 1,9 11.661,10 11.661,11 11.661,12 9.425,13 11.212,14 4.189,15 4.189,16 5.671,17 18.839,18 17.352,19 1,21 4.46,22 4.46,23 1,24 42.683,25 1,27 6.46,28 0.348,29 3.319,30 3.319,31 5.319,32 3.319,33 5.341,35 3.589,36 10.761,37 6.771,38 2.027,40 1.001,41 4.551,42 4.551,43 1,44 0.927,45 13.427,46 9.181,47 5.506,48 1.531,49 4.342,50 3.825,51 3.825,52 16.104,54 104.239,55 18.785,56 0.597,57 12.09,58 1.8,59 5.413,60 1,61 0.634,62 1.966,63 10,64 0.862,65 -0.914,66 8.129,67 -1.025,68 1.542,69 6.337}
{0 CHEMBL1081223,1 1,2 1,3 3.734,4 6.734,5 6.734,6 5.887,7 1,8 1,9 11.034,10 11.034,11 11.034,12 9.794,13 22.368,14 4.146,15 4.146,16 6.059,17 18.226,18 15.445,20 2,21 4.437,22 4.437,23 1,24 60.694,25 1,27 6.437,28 0.355,29 3.2,30 3.2,31 5.2,32 3.2,33 5.298,34 2,35 3.836,36 11.182,37 7.047,38 2.007,39 1,40 0.502,41 4.558,42 4.558,43 2,44 0.665,45 13.952,46 8.804,47 5.735,48 1.566,49 4.243,50 4.032,51 4.032,52 16.735,54 94.762,55 19.521,56 0.587,57 12.562,58 3.4,59 5.404,60 3,61 0.534,62 1.938,63 11,64 0.923,66 8.455,67 -1.69,68 1.489,69 6.264}
{0 CHEMBL1081224,1 1,2 1,3 3.664,4 6.726,5 6.726,6 5.805,7 1,8 1,9 11.002,10 11.002,11 11.002,12 9.783,13 23.083,14 4.128,15 4.128,16 6.049,17 18.16,18 17.399,21 4.437,22 4.437,23 1,24 42.683,25 1,27 6.437,28 0.337,29 3.186,30 3.186,31 5.186,32 3.186,33 5.278,35 3.706,36 11.174,37 7.017,38 2.033,40 0.739,41 4.543,42 4.543,43 3,44 0.624,45 13.95,46 8.814,47 5.712,48 1.595,49 4.226,50 4.032,51 4.032,52 16.734,54 104.239,55 19.521,56 0.7,57 12.558,58 3,59 5.388,60 3,61 0.526,62 1.968,63 10,64 1.004,66 8.427,67 -1.236,68 1.601,69 7.638}
{0 CHEMBL1081241,1 1,2 1,3 3.628,4 6.726,5 6.726,6 5.627,7 1,8 1,9 11,10 11,11 11,12 6.111,13 10.69,14 4.162,15 4.162,16 2.719,17 18.15,18 20.282,20 1,21 4.468,22 4.468,23 1,24 42.683,25 1,27 6.468,28 0.325,29 3.178,30 3.178,31 5.178,32 3.178,33 5.295,35 3.6,36 10.224,37 4.238,38 2.025,40 0.599,41 4.54,42 4.54,43 2,44 1.062,45 12.573,46 8.758,47 6.545,48 1.565,49 4.041,50 3.272,51 3.272,52 14.933,54 104.239,55 17.298,56 0.594,57 7.928,58 1.8,59 5.387,60 1,61 0.469,62 1.918,63 10,64 1.105,66 7.896,67 -1.052,68 1.565,69 6.602}
{0 CHEMBL1081353,1 1,2 1,3 3.612,4 7.119,5 7.119,6 5.474,7 1,8 1,9 11.704,10 11.704,11 11.704,12 9.388,13 23.856,14 4.202,15 4.202,16 5.97,17 18.781,18 11.949,20 5,21 4.461,22 4.461,23 1,24 60.694,26 1,27 6.461,28 0.336,29 3.33,30 3.33,31 5.33,32 3.33,33 5.242,35 3.375,36 10.735,37 6.69,38 2.096,40 0.953,41 4.502,42 4.502,44 0.672,45 13.417,46 9.262,47 5.335,48 1.461,49 4.251,50 3.825,51 3.825,52 16.1,54 85.286,55 18.783,56 0.704,57 12.074,58 1.6,59 5.398,60 1,61 0.784,62 1.965,63 9,64 0.912,66 8.065,67 -1.898,68 1.488,69 7.347}
{0 CHEMBL1081354,1 1,2 1,3 3.619,4 7.119,5 7.119,6 5.474,7 1,8 1,9 11.704,10 11.704,11 11.704,12 9.388,13 24.09,14 4.202,15 4.202,16 5.975,17 19.021,18 11.851,20 6,21 4.461,22 4.461,23 1,24 60.694,26 1,27 6.461,28 0.336,29 3.33,30 3.33,31 5.33,32 3.33,33 5.242,35 3.375,36 10.735,37 6.69,38 2.097,40 0.958,41 4.513,42 4.513,44 0.697,45 13.417,46 9.433,47 5.335,48 1.456,49 4.235,50 3.825,51 3.825,52 16.1,54 85.286,55 18.783,56 0.678,57 12.074,58 1.6,59 5.41,60 2,61 0.746,62 1.964,63 9,64 0.912,66 8.065,67 -1.935,68 1.477,69 8.796}
{0 CHEMBL1081355,1 1,2 1,3 3.612,4 7.119,5 7.119,6 5.474,7 1,8 1,9 11.704,10 11.704,11 11.704,12 9.388,13 24.073,14 4.202,15 4.202,16 5.975,17 18.781,18 11.924,20 5,21 4.461,22 4.461,23 1,24 60.694,26 1,27 6.461,28 0.336,29 3.33,30 3.33,31 5.33,32 3.33,33 5.242,34 1,35 3.375,36 10.735,37 6.69,38 2.095,40 0.96,41 4.502,42 4.502,44 0.679,45 13.417,46 9.433,47 5.335,48 1.46,49 4.248,50 3.825,51 3.825,52 16.1,54 85.286,55 18.783,56 0.708,57 12.074,58 1.6,59 5.398,60 2,61 0.726,62 1.965,63 9,64 0.912,66 8.065,67 -1.936,68 1.49,69 7.854}
{0 CHEMBL1081380,1 1,2 1,3 3.635,4 7.111,5 7.111,6 5.605,7 1,8 1,9 11.661,10 11.661,11 11.661,12 9.423,13 10.835,14 4.189,15 4.189,16 5.663,17 18.839,18 18.998,19 1,21 4.46,22 4.46,23 1,24 42.683,25 1,26 1,27 6.46,28 0.304,29 3.319,30 3.319,31 5.319,32 3.319,33 5.336,35 3.54,36 10.759,37 6.769,38 2.027,40 0.839,41 4.551,42 4.551,43 1,44 0.976,45 13.426,46 8.888,47 5.458,48 1.511,49 4.061,50 3.825,51 3.825,52 16.103,54 113.715,55 18.784,56 0.596,57 12.089,58 1.8,59 5.389,61 0.627,62 1.968,63 9,64 0.856,66 8.124,67 -0.914,68 1.516,69 5.886}
{0 CHEMBL1081387,1 1,2 1,3 3.643,4 7.111,5 7.111,6 5.605,7 1,8 1,9 11.661,10 11.661,11 11.661,12 9.423,13 10.987,14 4.189,15 4.189,16 5.664,17 18.839,18 17.481,19 1,21 4.46,22 4.46,23 1,24 42.683,25 1,26 1,27 6.46,28 0.325,29 3.319,30 3.319,31 5.319,32 3.319,33 5.337,35 3.54,36 10.759,37 6.769,38 2.046,40 0.806,41 4.551,42 4.551,43 1,44 0.93,45 13.426,46 9.012,47 5.458,48 1.529,49 4.255,50 3.825,51 3.825,52 16.103,54 104.239,55 18.784,56 0.598,57 12.089,58 1.7,59 5.39,61 0.637,62 1.968,63 10,64 0.872,66 8.124,67 -0.906,68 1.54,69 6.854}
{0 CHEMBL1081391,1 1,2 1,3 3.63,4 6.725,5 6.725,6 5.795,7 1,8 1,9 10.998,10 10.998,11 10.998,12 9.783,13 10.706,14 4.119,15 4.119,16 6.018,17 18.147,18 17.516,21 4.437,22 4.437,23 1,24 42.683,25 1,27 6.437,28 0.3,29 3.181,30 3.181,31 5.181,32 3.181,33 5.269,35 3.633,36 11.173,37 7.016,38 2.004,40 0.502,41 4.537,42 4.537,43 2,44 0.623,45 13.95,46 8.767,47 5.712,48 1.546,49 4.19,50 4.032,51 4.032,52 16.734,54 85.286,55 19.521,56 0.587,57 12.558,58 3.6,59 5.382,60 3,61 0.502,62 1.924,63 9,64 0.932,66 8.426,67 -1.068,68 1.442,69 7.167}
{0 CHEMBL1081410,1 1,2 1,3 4.099,4 7.224,5 7.224,6 5.62,7 1,8 1,9 12.052,10 12.052,11 12.052,12 9.425,13 11.267,14 4.304,15 4.304,16 5.673,17 19.23,18 18.758,21 4.46,22 4.46,23 1,24 42.683,25 1,27 6.46,28 0.282,29 3.352,30 3.352,31 5.352,32 3.352,33 5.453,35 3.589,36 10.761,37 6.771,38 2.027,40 1.168,41 4.551,42 4.551,44 0.927,45 13.427,46 9.22,47 5.506,48 1.529,49 4.415,50 3.825,51 3.825,52 16.104,54 113.715,55 18.785,56 0.597,57 12.09,58 1.6,59 5.401,60 2,61 0.651,62 1.968,63 9,64 0.916,66 8.129,67 -1.085,68 1.542,69 5.921}
{0 CHEMBL1081424,1 1,2 1,3 3.63,4 7.111,5 7.111,6 5.616,7 1,8 1,9 11.659,10 11.659,11 11.659,12 9.425,13 10.57,14 4.176,15 4.176,16 5.619,17 18.562,18 11.612,21 4.46,22 4.46,23 1,24 42.683,25 1,27 6.46,28 0.298,29 3.315,30 3.315,31 5.315,32 3.315,33 5.301,35 3.547,36 10.761,37 6.771,38 2.011,40 0.876,41 4.456,42 4.456,44 0.676,45 13.427,46 8.659,47 5.506,48 1.39,49 4.234,50 3.825,51 3.825,52 16.104,54 73.983,55 18.785,56 0.557,57 12.09,58 2.2,59 5.3,60 3,61 0.905,62 1.589,63 7,64 0.886,66 8.129,67 -1.058,68 1.439,69 5.857}
{0 CHEMBL1081546,1 1,2 1,3 3.63,4 7.111,5 7.111,6 5.62,7 1,8 1,9 11.661,10 11.661,11 11.661,12 9.425,13 10.752,14 4.189,15 4.189,16 5.674,17 18.84,18 17.44,21 4.46,22 4.46,23 1,24 42.683,25 1,27 6.46,28 0.329,29 3.319,30 3.319,31 5.319,32 3.319,33 5.339,35 3.589,36 10.761,37 6.771,38 2.029,40 0.799,41 4.551,42 4.551,44 0.854,45 13.427,46 8.805,47 5.506,48 1.596,49 4.244,50 3.825,51 3.825,52 16.104,54 104.239,55 18.785,56 0.7,57 12.09,58 1.5,59 5.397,60 3,61 0.586,62 1.975,63 10,64 0.929,65 0.017,66 8.129,67 -1.069,68 1.601,69 7.878}
{0 CHEMBL1081591,1 1,2 1,3 3.63,4 7.111,5 7.111,6 5.616,7 1,8 1,9 11.659,10 11.659,11 11.659,12 9.425,13 10.597,14 4.18,15 4.18,16 5.624,17 18.614,18 9.94,21 4.46,22 4.46,23 1,24 42.683,25 1,27 6.46,28 0.323,29 3.317,30 3.317,31 5.317,32 3.317,33 5.313,35 3.547,36 10.761,37 6.771,38 2.014,40 0.856,41 4.487,42 4.487,44 0.639,45 13.427,46 8.681,47 5.506,48 1.414,49 4.243,50 3.825,51 3.825,52 16.104,54 66.334,55 18.785,56 0.586,57 12.09,58 2.1,59 5.332,60 3,61 0.768,62 1.682,63 8,64 0.903,66 8.129,67 -1.058,68 1.444,69 5.62}
{0 CHEMBL1081600,1 1,2 1,3 3.231,4 6.726,5 6.726,6 3.931,7 1,8 1,9 11,10 11,11 11,12 6.111,13 10.714,14 4.161,15 4.161,16 2.701,17 18.149,18 20.048,21 3.63,22 3.63,23 1,24 42.683,25 1,27 5.63,28 0.341,29 3.177,30 3.177,31 5.177,32 3.177,33 5.248,35 2.794,36 7.144,37 4.238,38 2.019,40 0.66,41 4.539,42 4.539,43 1,44 0.948,45 8.879,46 8.779,47 4.104,48 1.536,49 4.031,50 2.423,51 2.423,52 10.635,54 104.239,55 12.399,56 0.586,57 7.928,58 1.8,59 5.384,60 3,61 0.454,62 1.952,63 10,64 1.159,66 5.461,67 -1.034,68 1.544,69 7.301}
{0 CHEMBL1081601,1 1,2 1,3 3.63,4 7.111,5 7.111,6 5.62,7 1,8 1,9 11.661,10 11.661,11 11.661,12 9.425,13 10.714,14 4.202,15 4.202,16 5.704,17 18.839,18 16.573,21 4.46,22 4.46,23 1,24 42.683,25 1,27 6.46,28 0.328,29 3.319,30 3.319,31 5.319,32 3.319,33 5.289,35 3.589,36 10.761,37 6.771,38 2.031,40 0.849,41 4.551,42 4.551,43 1,44 0.742,45 13.427,46 8.772,47 5.506,48 1.562,49 4.244,50 3.825,51 3.825,52 16.104,54 104.239,55 18.785,56 0.588,57 12.09,58 1.7,59 5.396,60 3,61 0.594,62 1.969,63 10,64 0.96,66 8.129,67 -1.083,68 1.551,69 8}
{0 CHEMBL1081602,1 1,2 1,3 3.227,4 6.725,5 6.725,6 3.909,7 1,8 1,9 10.998,10 10.998,11 10.998,12 6.111,13 10.699,14 4.118,15 4.118,16 2.681,17 18.143,18 23.081,21 3.63,22 3.63,23 1,24 42.683,25 1,27 5.63,28 0.317,29 3.175,30 3.175,31 5.175,32 3.175,33 5.265,35 2.699,36 7.143,37 4.238,38 2.029,40 0.581,41 4.536,42 4.536,44 0.883,45 8.879,46 8.771,47 4.104,48 1.399,49 3.983,50 2.423,51 2.423,52 10.635,54 113.715,55 12.399,56 0.588,57 7.928,58 1.9,59 5.381,60 3,61 0.378,62 1.96,63 9,64 0.994,66 5.457,67 -1.015,68 1.442,69 5.229}
{0 CHEMBL1081603,1 1,2 1,3 3.196,4 6.499,5 6.499,6 3.931,7 1,8 1,9 10.162,10 10.162,11 10.162,12 6.111,13 10.613,14 4.003,15 4.003,16 2.675,17 16.908,18 13.19,21 3.63,22 3.63,23 1,24 42.683,25 1,27 5.63,28 0.336,29 3.072,30 3.072,31 5.072,32 3.072,33 5.143,35 2.794,36 7.144,37 4.238,38 2.004,40 0.554,41 4.441,42 4.441,43 1,44 0.827,45 8.879,46 8.702,47 4.104,48 1.481,49 3.939,50 2.423,51 2.423,52 10.635,54 66.334,55 12.399,56 0.588,57 7.928,58 2,59 5.285,60 3,61 0.447,62 1.719,63 8,64 1.149,66 5.461,67 -1.008,68 1.511,69 5}
{0 CHEMBL1081729,1 1,2 1,3 3.339,4 6.731,5 6.731,6 3.931,7 1,8 1,9 11.021,10 11.021,11 11.021,12 6.111,13 10.725,14 4.169,15 4.169,16 2.709,17 18.202,18 17.808,21 3.63,22 3.63,23 1,24 42.683,25 1,27 5.63,28 0.357,29 3.187,30 3.187,31 5.187,32 3.187,33 5.255,35 2.794,36 7.144,37 4.238,38 2.011,40 0.678,41 4.55,42 4.55,43 1,44 0.938,45 8.879,46 8.787,47 4.104,48 1.535,49 4.171,50 2.423,51 2.423,52 10.635,54 94.762,55 12.399,56 0.586,57 7.928,58 1.8,59 5.395,60 3,61 0.548,62 1.922,63 11,64 1.158,66 5.461,67 -1.043,68 1.543,69 7.155}
{0 CHEMBL1081730,1 1,2 1,3 4.437,4 7.111,5 7.111,6 6.316,7 1,8 1,9 11.661,10 11.661,11 11.661,12 10.298,13 10.72,14 4.191,15 4.191,16 6.11,17 18.841,18 14.21,21 4.46,22 4.46,23 1,24 42.683,25 1,27 6.46,28 0.304,29 3.319,30 3.319,31 5.319,32 3.319,33 5.341,35 4.054,36 11.671,37 7.559,38 2.027,40 0.709,41 4.552,42 4.552,43 1,44 0.575,45 14.411,46 8.77,47 5.712,48 1.554,49 4.244,50 4.032,51 4.032,52 17.159,54 104.239,55 19.912,56 0.588,57 13.038,58 1.7,59 5.397,60 3,61 0.613,62 1.963,63 10,64 0.852,66 8.952,67 -1.12,68 1.461,69 6.48}
{0 CHEMBL1081749,1 1,2 1,3 3.63,4 7.111,5 7.111,6 5.62,7 1,8 1,9 11.661,10 11.661,11 11.661,12 9.425,13 10.726,14 4.189,15 4.189,16 5.67,17 18.839,18 17.268,21 4.46,22 4.46,23 1,24 42.683,25 1,27 6.46,28 0.319,29 3.319,30 3.319,31 5.319,32 3.319,33 5.338,35 3.589,36 10.761,37 6.771,38 2.027,40 0.83,41 4.551,42 4.551,44 0.892,45 13.427,46 8.783,47 5.506,48 1.535,49 4.244,50 3.825,51 3.825,52 16.104,54 104.239,55 18.785,56 0.598,57 12.09,58 1.7,59 5.396,60 3,61 0.578,62 1.968,63 10,64 0.902,66 8.129,67 -1.069,68 1.544,69 7.398}
{0 CHEMBL1081750,1 1,2 1,3 3.63,4 7.119,5 7.119,6 5.62,7 1,8 1,9 11.719,10 11.719,11 11.719,12 9.425,13 10.727,14 4.213,15 4.213,16 5.717,17 18.993,18 17.254,21 4.46,22 4.46,23 1,24 42.683,25 1,27 6.46,28 0.319,29 3.332,30 3.332,31 5.332,32 3.332,33 5.362,35 3.589,36 10.761,37 6.771,38 2.027,40 0.844,41 4.567,42 4.567,44 0.835,45 13.427,46 8.783,47 5.506,48 1.53,49 4.244,50 3.825,51 3.825,52 16.104,54 104.239,55 18.785,56 0.596,57 12.09,58 1.7,59 5.413,60 3,61 0.614,62 1.968,63 10,64 0.902,66 8.129,67 -1.076,68 1.543,69 7.155}
{0 CHEMBL1081751,1 1,2 1,3 3.63,4 7.299,5 7.299,6 5.62,7 1,8 1,9 12.545,10 12.545,11 12.545,12 9.425,13 10.729,14 4.326,15 4.326,16 5.781,17 20.452,18 17.274,21 4.47,22 4.47,23 1,24 42.683,25 1,27 6.47,28 0.319,29 3.422,30 3.422,31 5.422,32 3.422,33 5.475,35 3.589,36 10.761,37 6.771,38 2.026,40 0.797,41 4.659,42 4.659,44 1.009,45 13.427,46 8.783,47 5.506,48 1.521,49 4.243,50 3.825,51 3.825,52 16.104,54 104.239,55 18.785,56 0.593,57 12.09,58 1.7,59 5.505,60 3,61 1.207,62 1.969,63 10,64 0.902,66 8.129,67 -1.084,68 1.54,69 5}
{0 CHEMBL1081756,1 1,2 1,3 3.153,4 6.185,5 6.185,6 3.909,7 1,8 1,9 9.237,10 9.237,11 9.237,12 6.111,13 10.576,14 3.889,15 3.889,16 2.669,17 15.517,18 15.598,21 3.63,22 3.63,23 1,24 42.683,25 1,27 5.63,28 0.318,29 2.934,30 2.934,31 4.934,32 2.934,33 5.013,35 2.699,36 7.143,37 4.238,38 2.044,40 0.541,41 4.308,42 4.308,44 0.823,45 8.879,46 8.673,47 4.104,48 1.389,49 3.871,50 2.423,51 2.423,52 10.635,54 73.983,55 12.399,56 0.587,57 7.928,58 2.2,59 5.152,60 3,61 0.338,62 1.605,63 7,64 1.076,66 5.457,67 -1.002,68 1.44,69 5}
{0 CHEMBL1081763,1 1,2 1,3 3.63,4 6.726,5 6.726,6 5.798,7 1,8 1,9 11,10 11,11 11,12 9.783,13 10.735,14 4.123,15 4.123,16 6.024,17 18.152,18 17.936,21 4.437,22 4.437,23 1,24 42.683,25 1,27 6.437,28 0.313,29 3.184,30 3.184,31 5.184,32 3.184,33 5.273,35 3.671,36 11.173,37 7.016,38 2.019,40 0.506,41 4.54,42 4.54,43 1,44 0.689,45 13.95,46 8.791,47 5.712,48 1.556,49 4.192,50 4.032,51 4.032,52 16.734,54 104.239,55 19.521,56 0.591,57 12.558,58 1.7,59 5.385,60 3,61 0.485,62 1.958,63 10,64 0.931,66 8.426,67 -1.07,68 1.542,69 7.699}
{0 CHEMBL1081764,1 1,2 1,3 3.712,4 6.726,5 6.726,6 7.381,7 1,8 1,9 11,10 11,11 11,12 12.449,13 10.741,14 4.123,15 4.123,16 5.607,17 18.152,18 18.622,21 5.241,22 5.241,23 1,24 42.683,25 1,27 7.241,28 0.304,29 3.184,30 3.184,31 5.184,32 3.184,33 5.277,35 4.306,36 14.346,37 8.795,38 2.016,40 0.493,41 4.54,42 4.54,44 0.68,45 17.898,46 8.796,47 10.02,48 1.522,49 4.192,50 5.976,51 5.976,52 21.463,54 104.239,55 25.034,56 0.595,57 16.06,58 1.7,59 5.385,60 3,61 0.479,62 1.949,63 10,64 0.877,66 10.824,67 -1.064,68 1.54,69 6.824}
{0 CHEMBL1081771,1 1,2 1,3 3.63,4 7.119,5 7.119,6 5.62,7 1,8 1,9 11.719,10 11.719,11 11.719,12 9.425,13 10.715,14 4.227,15 4.227,16 5.763,17 18.993,18 16.58,21 4.46,22 4.46,23 1,24 42.683,25 1,27 6.46,28 0.328,29 3.332,30 3.332,31 5.332,32 3.332,33 5.314,35 3.589,36 10.761,37 6.771,38 2.031,40 0.864,41 4.567,42 4.567,43 1,44 0.844,45 13.427,46 8.772,47 5.506,48 1.555,49 4.244,50 3.825,51 3.825,52 16.104,54 104.239,55 18.785,56 0.587,57 12.09,58 1.7,59 5.413,60 3,61 0.629,62 1.969,63 10,64 0.96,66 8.129,67 -1.09,68 1.549,69 6.187}
{0 CHEMBL1081786,1 1,2 1,3 3.63,4 6.726,5 6.726,6 5.304,7 1,8 1,9 11,10 11,11 11,12 6.111,13 10.703,14 4.117,15 4.117,16 2.672,17 18.15,18 21.377,21 4.412,22 4.412,23 1,24 42.683,25 1,27 6.412,28 0.296,29 3.177,30 3.177,31 5.177,32 3.177,33 5.308,35 3.528,36 9.452,37 4.238,38 2.021,40 0.651,41 4.539,42 4.539,43 1,44 1.107,45 11.581,46 8.776,47 5.9,48 1.556,49 4.041,50 2.95,51 2.95,52 13.722,54 104.239,55 15.87,56 0.617,57 7.928,58 1.5,59 5.458,60 3,61 0.351,62 1.961,63 10,64 1.096,66 7.346,67 -1.005,68 1.561,69 5}
{0 CHEMBL1081917,1 1,2 1,3 3.629,4 6.2,5 6.2,6 4.206,7 1,8 1,9 9.304,10 9.304,11 9.304,12 6.305,13 23.601,14 3.91,15 3.91,16 2.677,17 15.69,18 10.703,20 4,21 3.645,22 3.645,23 1,24 60.694,25 1,27 5.645,28 0.315,29 2.952,30 2.952,31 4.952,32 2.952,33 4.955,35 3.011,36 7.313,37 4.516,38 2.108,40 0.508,41 4.256,42 4.256,44 1.031,45 8.994,46 8.819,47 4.104,48 1.472,49 3.911,50 2.423,51 2.423,52 10.711,54 56.857,55 12.449,56 0.719,57 8.06,58 3.3,59 5.256,60 3,61 0.635,62 1.931,63 6,64 1.327,65 0.332,66 5.695,67 -1.137,68 1.496,69 8.523}
{0 CHEMBL1081926,1 1,2 1,3 3.231,4 6.726,5 6.726,6 3.931,7 1,8 1,9 11,10 11,11 11,12 6.111,13 10.721,14 4.12,15 4.12,16 2.692,17 18.149,18 18.356,21 3.63,22 3.63,23 1,24 42.683,25 1,27 5.63,28 0.333,29 3.177,30 3.177,31 5.177,32 3.177,33 5.269,35 2.794,36 7.144,37 4.238,38 2.007,40 0.626,41 4.539,42 4.539,43 1,44 0.882,45 8.879,46 8.787,47 4.104,48 1.519,49 4.031,50 2.423,51 2.423,52 10.635,54 85.286,55 12.399,56 0.587,57 7.928,58 3.6,59 5.384,60 3,61 0.437,62 1.886,63 10,64 1.127,66 5.461,67 -1.025,68 1.538,69 6.056}
{0 CHEMBL1081949,1 1,2 1,3 3.198,4 6.499,5 6.499,6 3.909,7 1,8 1,9 10.161,10 10.161,11 10.161,12 6.111,13 10.597,14 4,15 4,16 2.676,17 16.904,18 12.966,21 3.63,22 3.63,23 1,24 42.683,25 1,27 5.63,28 0.339,29 3.071,30 3.071,31 5.071,32 3.071,33 5.141,35 2.699,36 7.143,37 4.238,38 2.004,40 0.564,41 4.44,42 4.44,44 0.793,45 8.879,46 8.689,47 4.104,48 1.387,49 3.909,50 2.423,51 2.423,52 10.635,54 66.334,55 12.399,56 0.587,57 7.928,58 2.2,59 5.284,60 3,61 0.509,62 1.713,63 8,64 1.074,66 5.457,67 -1.009,68 1.437,69 6.495}
{0 CHEMBL1081950,1 1,2 1,3 3.63,4 6.726,5 6.726,6 5.304,7 1,8 1,9 11,10 11,11 11,12 6.111,13 10.712,14 4.117,15 4.117,16 2.677,17 18.15,18 21.253,21 4.413,22 4.413,23 1,24 42.683,25 1,27 6.413,28 0.304,29 3.177,30 3.177,31 5.177,32 3.177,33 5.316,35 3.528,36 9.452,37 4.238,38 2.021,40 0.632,41 4.539,42 4.539,43 1,44 1.108,45 11.581,46 8.782,47 5.9,48 1.555,49 4.041,50 2.95,51 2.95,52 13.722,54 104.239,55 15.87,56 0.609,57 7.928,58 1.6,59 5.44,60 3,61 0.38,62 1.961,63 10,64 1.085,66 7.346,67 -1.01,68 1.561,69 5}
{0 CHEMBL1081951,1 1,2 1,3 3.63,4 6.726,5 6.726,6 5.627,7 1,8 1,9 11,10 11,11 11,12 6.111,13 10.762,14 4.117,15 4.117,16 2.659,17 18.15,18 21.732,20 1,21 4.44,22 4.44,23 1,24 42.683,25 1,27 6.44,28 0.319,29 3.178,30 3.178,31 5.178,32 3.178,33 5.311,34 1,35 3.6,36 10.224,37 4.238,38 2.029,40 0.582,41 4.539,42 4.539,43 1,44 1.145,45 12.573,46 8.825,47 6.545,48 1.504,49 4.041,50 3.272,51 3.272,52 14.933,54 104.239,55 17.298,56 0.608,57 7.928,58 1.7,59 5.384,60 3,61 0.418,62 1.961,63 10,64 1.03,66 7.896,67 -0.992,68 1.534,69 5.246}
{0 CHEMBL1081962,1 1,2 1,3 3.63,4 6.726,5 6.726,6 5.798,7 1,8 1,9 11.001,10 11.001,11 11.001,12 9.783,13 10.775,14 4.123,15 4.123,16 6.028,17 18.153,18 18.199,21 4.437,22 4.437,23 1,24 42.683,25 1,27 6.437,28 0.314,29 3.184,30 3.184,31 5.184,32 3.184,33 5.274,35 3.671,36 11.173,37 7.016,38 2.025,40 0.5,41 4.54,42 4.54,43 1,44 0.679,45 13.95,46 8.823,47 5.712,48 1.597,49 4.192,50 4.032,51 4.032,52 16.734,54 104.239,55 19.521,56 0.7,57 12.558,58 1.4,59 5.386,60 3,61 0.475,62 1.971,63 10,64 0.97,65 0.068,66 8.426,67 -1.069,68 1.602,69 7.745}
{0 CHEMBL1081963,1 1,2 1,3 3.63,4 7.111,5 7.111,6 5.616,7 1,8 1,9 11.657,10 11.657,11 11.657,12 9.425,13 10.675,14 4.171,15 4.171,16 5.648,17 18.533,18 17.189,21 4.46,22 4.46,23 1,24 42.683,25 1,27 6.46,28 0.264,29 3.313,30 3.313,31 5.313,32 3.313,33 5.239,35 3.547,36 10.761,37 6.771,38 2.036,40 0.889,41 4.449,42 4.449,44 0.624,45 13.427,46 8.743,47 5.506,48 1.468,49 4.243,50 3.825,51 3.825,52 16.104,54 113.715,55 18.785,56 0.59,57 12.09,59 5.268,60 3,61 0.303,62 1.972,63 7,64 0.834,66 8.129,67 -0.414,68 1.46,69 6.886}
{0 CHEMBL1081964,1 1,2 1,3 3.229,4 6.726,5 6.726,6 3.952,7 1,8 1,9 11,10 11,11 11,12 6.111,13 10.741,14 4.122,15 4.122,16 2.686,17 18.15,18 20.994,21 3.63,22 3.63,23 1,24 42.683,25 1,27 5.63,28 0.329,29 3.178,30 3.178,31 5.178,32 3.178,33 5.27,35 2.88,36 7.144,37 4.238,38 2.021,40 0.608,41 4.539,42 4.539,43 1,44 0.956,45 8.88,46 8.804,47 4.104,48 1.543,49 4.041,50 2.423,51 2.423,52 10.635,54 104.239,55 12.399,56 0.604,57 7.928,58 1.7,59 5.384,60 3,61 0.407,62 1.961,63 10,64 1.118,66 5.464,67 -1.02,68 1.559,69 7}
{0 CHEMBL1082079,1 1,2 1,3 3.612,4 7.119,5 7.119,6 5.474,7 1,8 1,9 11.704,10 11.704,11 11.704,12 9.388,13 23.796,14 4.202,15 4.202,16 5.97,17 18.781,18 11.791,20 6,21 4.461,22 4.461,23 1,24 60.694,26 1,27 6.461,28 0.336,29 3.33,30 3.33,31 5.33,32 3.33,33 5.242,35 3.375,36 10.735,37 6.69,38 2.098,40 0.972,41 4.502,42 4.502,44 0.712,45 13.417,46 9.205,47 5.335,48 1.503,49 4.21,50 3.825,51 3.825,52 16.1,54 85.286,55 18.783,56 0.677,57 12.074,58 1.6,59 5.398,60 1,61 0.795,62 1.964,63 9,64 0.912,66 8.065,67 -1.906,68 1.504,69 7.959}
{0 CHEMBL1082089,1 1,2 1,3 3.235,4 6.733,5 6.733,6 3.931,7 1,8 1,9 11.031,10 11.031,11 11.031,12 6.111,13 10.764,14 4.176,15 4.176,16 2.7,17 18.217,18 24.47,21 3.63,22 3.63,23 1,24 42.683,25 1,27 5.63,28 0.347,29 3.192,30 3.192,31 5.192,32 3.192,33 5.263,35 2.794,36 7.144,37 4.238,38 2.115,40 0.642,41 4.568,42 4.568,43 2,44 0.864,45 8.879,46 8.821,47 4.104,48 1.621,49 4.243,50 2.423,51 2.423,52 10.635,53 1.891,54 113.715,55 12.399,56 0.699,57 7.928,58 3.3,59 5.413,60 3,61 0.476,62 1.994,63 9,64 1.159,66 5.461,67 -1.034,68 1.612,69 6.959}
{0 CHEMBL1082090,1 1,2 1,3 3.637,4 7.111,5 7.111,6 5.605,7 1,8 1,9 11.661,10 11.661,11 11.661,12 9.423,13 10.903,14 4.189,15 4.189,16 5.677,17 18.839,18 16.876,19 1,21 4.46,22 4.46,23 1,24 42.683,25 1,26 1,27 6.46,28 0.321,29 3.319,30 3.319,31 5.319,32 3.319,33 5.338,35 3.54,36 10.759,37 6.769,38 2.027,40 0.854,41 4.551,42 4.551,43 1,44 0.973,45 13.426,46 8.936,47 5.458,48 1.508,49 4.249,50 3.825,51 3.825,52 16.103,54 104.239,55 18.784,56 0.596,57 12.089,58 1.8,59 5.393,60 1,61 0.633,62 1.968,63 10,64 0.853,66 8.124,67 -0.968,68 1.509,69 6.319}
{0 CHEMBL1082114,1 1,2 1,3 3.63,4 6.726,5 6.726,6 5.798,7 1,8 1,9 11,10 11,11 11,12 9.783,13 10.724,14 4.163,15 4.163,16 6.05,17 18.152,18 17.242,21 4.437,22 4.437,23 1,24 42.683,25 1,27 6.437,28 0.322,29 3.184,30 3.184,31 5.184,32 3.184,33 5.25,35 3.671,36 11.173,37 7.016,38 2.023,40 0.53,41 4.54,42 4.54,43 2,44 0.701,45 13.95,46 8.78,47 5.712,48 1.576,49 4.192,50 4.032,51 4.032,52 16.734,54 104.239,55 19.521,56 0.586,57 12.558,58 1.7,59 5.385,60 3,61 0.43,62 1.959,63 10,64 0.991,66 8.426,67 -1.084,68 1.548,69 8}
{0 CHEMBL1082115,1 1,2 1,3 4.437,4 7.111,5 7.111,6 6.218,7 1,8 1,9 11.661,10 11.661,11 11.661,12 9.425,13 10.746,14 4.189,15 4.189,16 5.654,17 18.839,18 17.982,21 4.46,22 4.46,23 1,24 42.683,25 1,27 6.46,28 0.31,29 3.319,30 3.319,31 5.319,32 3.319,33 5.361,35 4.006,36 11.204,37 6.771,38 2.027,40 0.818,41 4.551,42 4.551,44 0.923,45 13.774,46 8.804,47 7.098,48 1.507,49 4.244,50 3.825,51 3.825,52 16.371,54 104.239,55 18.987,56 0.602,57 12.09,58 1.7,59 5.396,60 3,61 0.58,62 1.968,63 10,64 0.849,66 8.673,67 -1.043,68 1.541,69 6.638}
{0 CHEMBL1082116,1 1,2 1,3 3.224,4 6.725,5 6.725,6 3.909,7 1,8 1,9 10.998,10 10.998,11 10.998,12 6.111,13 10.702,14 4.118,15 4.118,16 2.678,17 18.143,18 21.171,21 3.63,22 3.63,23 1,24 42.683,25 1,27 5.63,28 0.323,29 3.175,30 3.175,31 5.175,32 3.175,33 5.265,35 2.699,36 7.143,37 4.238,38 2.045,40 0.532,41 4.536,42 4.536,43 1,44 0.922,45 8.879,46 8.774,47 4.104,48 1.464,49 3.983,50 2.423,51 2.423,52 10.635,54 85.286,55 12.399,56 0.664,57 7.928,58 3.7,59 5.381,60 3,61 0.401,62 1.937,63 9,64 1.081,66 5.457,67 -1.012,68 1.503,69 6.721}
{0 CHEMBL1082117,1 1,2 1,3 3.63,4 6.725,5 6.725,6 5.795,7 1,8 1,9 10.998,10 10.998,11 10.998,12 9.783,13 10.69,14 4.159,15 4.159,16 6.052,17 18.147,18 14.448,21 4.437,22 4.437,23 1,24 42.683,25 1,27 6.437,28 0.311,29 3.181,30 3.181,31 5.181,32 3.181,33 5.246,35 3.633,36 11.173,37 7.016,38 2.004,40 0.532,41 4.537,42 4.537,43 3,44 0.61,45 13.95,46 8.752,47 5.712,48 1.551,49 4.19,50 4.032,51 4.032,52 16.734,54 66.334,55 19.521,56 0.584,57 12.558,58 5.6,59 5.382,60 3,61 0.467,62 1.844,63 9,64 1.044,66 8.426,67 -1.087,68 1.448,69 7.26}
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{0 CHEMBL1086861,1 1,2 1,3 3.612,4 7.119,5 7.119,6 5.474,7 1,8 1,9 11.704,10 11.704,11 11.704,12 9.388,13 23.98,14 4.202,15 4.202,16 5.975,17 18.781,18 11.687,20 6,21 4.461,22 4.461,23 1,24 60.694,26 1,27 6.461,28 0.336,29 3.33,30 3.33,31 5.33,32 3.33,33 5.242,35 3.375,36 10.735,37 6.69,38 2.097,40 0.975,41 4.502,42 4.502,44 0.675,45 13.417,46 9.343,47 5.335,48 1.527,49 4.208,50 3.825,51 3.825,52 16.1,54 85.286,55 18.783,56 0.676,57 12.074,58 1.6,59 5.398,60 3,61 0.731,62 1.964,63 9,64 0.912,66 8.065,67 -1.947,68 1.522,69 8.31}
{0 CHEMBL108861,3 2.65,4 6.165,5 6.165,6 1.285,9 9.124,10 9.124,11 9.124,14 3.852,15 3.852,16 0.907,17 15.377,18 5.862,21 3.211,22 3.211,27 5.211,28 0.243,29 2.898,30 2.898,31 4.898,32 2.898,33 4.852,35 1.586,36 0.828,38 2.025,40 0.892,41 4.264,42 4.264,44 0.646,45 0.656,47 1.72,48 0.966,49 2.919,50 0.86,51 0.86,52 0.515,54 37.905,55 0.401,56 0.128,59 4.91,61 1.284,62 1.576,63 3,64 1.332,66 1.035,68 1.005,69 4.296}
{0 CHEMBL1089501,1 1,2 1,3 3.562,4 6.323,5 6.323,6 4.352,7 1,8 1,9 9.677,10 9.677,11 9.677,12 6.423,13 22.809,14 4.008,15 4.008,16 2.796,17 16.257,18 14.199,20 1,21 3.808,22 3.808,23 1,24 42.683,25 1,27 5.808,28 0.338,29 3.034,30 3.034,31 5.034,32 3.034,33 5.09,35 3.112,36 7.447,37 4.634,38 2.023,39 1,40 1.195,41 4.406,42 4.406,43 2,44 0.997,45 9.093,46 8.999,47 4.085,48 1.509,49 3.98,50 2.38,51 2.38,52 10.762,54 75.81,55 12.445,56 0.578,57 8.157,58 3.8,59 5.279,60 2,61 0.659,62 1.778,63 7,64 1.374,66 5.848,67 -1.85,68 1.492,69 4.602}
{0 CHEMBL109241,1 1,2 1,3 3.3,4 7.594,5 7.594,6 3.905,7 1,8 1,9 13.687,10 13.687,11 13.687,12 6.111,13 11.7,14 4.443,15 4.443,16 2.608,17 20.699,18 16.314,19 1,20 1,21 4.154,22 4.154,23 1,24 42.683,25 1,27 6.154,28 0.273,29 3.487,30 3.487,31 5.487,32 3.487,33 5.552,34 1,35 2.812,36 7.14,37 4.238,38 2.07,40 1.216,41 4.574,42 4.574,43 1,44 0.927,45 8.878,46 9.589,47 4.104,48 1.526,49 4.183,50 2.423,51 2.423,52 10.635,54 94.762,55 12.399,56 0.819,57 7.928,59 5.519,60 1,61 1.091,62 1.916,63 8,64 1.051,66 5.448,67 -0.942,68 1.562,69 4.301}
{0 CHEMBL109638,1 1,2 1,3 3.299,4 7.422,5 7.422,6 3.905,7 1,8 1,9 12.922,10 12.922,11 12.922,12 6.111,13 11.47,14 4.393,15 4.393,16 2.63,17 19.932,18 20.323,19 1,20 1,21 4.131,22 4.131,23 1,24 42.683,25 1,27 6.131,28 0.255,29 3.438,30 3.438,31 5.438,32 3.438,33 5.5,34 1,35 2.812,36 7.14,37 4.238,38 2.064,40 1.477,41 4.537,42 4.537,43 1,44 0.932,45 8.878,46 9.401,47 4.104,48 1.434,49 4.172,50 2.423,51 2.423,52 10.635,54 104.239,55 12.399,56 0.679,57 7.928,59 5.481,60 1,61 0.932,62 1.924,63 7,64 1.14,66 5.448,67 -0.963,68 1.455,69 4.824}
{0 CHEMBL109731,1 1,2 1,3 3.219,4 6.257,5 6.257,6 3.905,7 1,8 1,9 9.469,10 9.469,11 9.469,12 6.111,13 11.117,14 3.955,15 3.955,16 2.591,17 15.924,18 21.223,21 3.796,22 3.796,23 1,24 42.683,25 1,27 5.796,28 0.281,29 2.996,30 2.996,31 4.996,32 2.996,33 5.058,35 2.812,36 7.14,37 4.238,38 2.056,40 1.119,41 4.304,42 4.304,44 1,45 8.878,46 9.12,47 4.104,48 1.684,49 3.921,50 2.423,51 2.423,52 10.635,54 104.239,55 12.399,56 0.923,57 7.928,59 5.249,60 2,61 0.438,62 1.985,63 7,64 1.166,65 -0.77,66 5.448,67 -0.925,68 1.693,69 4.824}
{0 CHEMBL109773,1 1,2 1,3 3.219,4 7.611,5 7.611,6 3.905,7 1,8 1,9 13.824,10 13.824,11 13.824,12 6.111,13 12.056,14 4.459,15 4.459,16 2.567,17 20.843,18 21.405,19 1,20 1,21 4.158,22 4.158,23 1,24 42.683,25 1,27 6.158,28 0.25,29 3.502,30 3.502,31 5.502,32 3.502,33 5.57,34 1,35 2.812,36 7.14,37 4.238,38 2.081,40 1.353,41 4.585,42 4.585,43 1,44 0.98,45 8.878,46 9.885,47 4.104,48 1.718,49 4.188,50 2.423,51 2.423,52 10.635,54 104.239,55 12.399,56 0.947,57 7.928,59 5.53,60 1,61 0.72,62 1.985,63 7,64 1.206,65 0.22,66 5.448,67 -0.901,68 1.751,69 5.301}
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{0 CHEMBL110071,1 1,2 1,3 3.218,4 7.422,5 7.422,6 3.905,7 1,8 1,9 12.922,10 12.922,11 12.922,12 6.111,13 11.52,14 4.393,15 4.393,16 2.611,17 19.932,18 21.409,19 1,20 1,21 4.131,22 4.131,23 1,24 42.683,25 1,27 6.131,28 0.235,29 3.438,30 3.438,31 5.438,32 3.438,33 5.496,34 1,35 2.812,36 7.14,37 4.238,38 2.065,40 1.485,41 4.537,42 4.537,43 1,44 1.068,45 8.878,46 9.445,47 4.104,48 1.719,49 4.172,50 2.423,51 2.423,52 10.635,54 104.239,55 12.399,56 0.949,57 7.928,59 5.482,60 1,61 0.672,62 1.985,63 7,64 1.187,66 5.448,67 -0.945,68 1.75,69 4.301}
{0 CHEMBL110743,1 1,2 1,3 3.219,4 7.594,5 7.594,6 3.905,7 1,8 1,9 13.687,10 13.687,11 13.687,12 6.111,13 11.752,14 4.443,15 4.443,16 2.582,17 20.699,18 21.344,19 1,20 1,21 4.154,22 4.154,23 1,24 42.683,25 1,27 6.154,28 0.235,29 3.487,30 3.487,31 5.487,32 3.487,33 5.552,34 1,35 2.812,36 7.14,37 4.238,38 2.07,40 1.463,41 4.574,42 4.574,43 1,44 1.031,45 8.878,46 9.636,47 4.104,48 1.71,49 4.183,50 2.423,51 2.423,52 10.635,54 104.239,55 12.399,56 0.946,57 7.928,59 5.519,60 1,61 0.759,62 1.985,63 7,64 1.187,66 5.448,67 -0.916,68 1.743,69 4.301}
{0 CHEMBL111161,1 1,2 1,3 3.222,4 7.594,5 7.594,6 3.905,7 1,8 1,9 13.687,10 13.687,11 13.687,12 6.111,13 11.758,14 4.443,15 4.443,16 2.587,17 20.699,18 18.797,19 1,20 1,21 4.154,22 4.154,23 1,24 42.683,25 1,27 6.154,28 0.254,29 3.487,30 3.487,31 5.487,32 3.487,33 5.552,34 1,35 2.812,36 7.14,37 4.238,38 2.07,40 1.428,41 4.574,42 4.574,43 1,44 1.029,45 8.878,46 9.64,47 4.104,48 1.709,49 4.183,50 2.423,51 2.423,52 10.635,54 94.762,55 12.399,56 0.945,57 7.928,59 5.519,60 1,61 0.784,62 1.946,63 8,64 1.185,66 5.448,67 -0.92,68 1.742,69 4.301}
{0 CHEMBL111271,1 1,2 1,3 3.222,4 7.594,5 7.594,6 3.905,7 1,8 1,9 13.687,10 13.687,11 13.687,12 6.111,13 11.75,14 4.443,15 4.443,16 2.596,17 20.699,18 17.239,19 1,20 1,21 4.154,22 4.154,23 1,24 42.683,25 1,27 6.154,28 0.26,29 3.487,30 3.487,31 5.487,32 3.487,33 5.552,34 1,35 2.812,36 7.14,37 4.238,38 2.07,40 1.204,41 4.574,42 4.574,43 1,44 0.954,45 8.878,46 9.632,47 4.104,48 1.711,49 4.183,50 2.423,51 2.423,52 10.635,54 94.762,55 12.399,56 0.944,57 7.928,59 5.519,60 1,61 0.838,62 1.956,63 8,64 1.094,66 5.448,67 -0.929,68 1.743,69 4.301}
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{0 CHEMBL117402,1 1,2 1,3 3.339,4 6.302,5 6.302,6 4.163,7 1,8 1,9 9.281,10 9.281,11 9.281,12 6.306,13 22.215,14 3.93,15 3.93,16 2.89,17 15.59,18 20.893,21 3.935,22 3.935,23 1,24 75.581,25 1,26 1,27 5.935,28 0.306,29 2.923,30 2.923,31 4.923,32 2.923,33 5.025,35 2.953,36 7.337,37 4.492,38 2.149,40 0.845,41 4.406,42 4.406,44 0.92,45 9.057,46 9.016,47 4.18,48 1.398,49 3.965,50 2.452,51 2.452,52 10.81,53 2.278,54 104.239,55 12.582,56 0.357,57 8.098,58 2,59 5.303,60 2,61 0.235,62 1.765,63 3,64 1.017,65 -1.234,66 5.683,67 -2.072,68 1.352,69 5.58}
{0 CHEMBL117578,3 3.784,4 6.5,5 6.5,6 6.721,9 10.163,10 10.163,11 10.163,12 9.91,13 36.215,14 4.046,15 4.046,16 2.002,17 16.994,18 19.636,21 4.875,22 4.875,24 18.011,27 6.875,28 0.312,29 3.069,30 3.069,31 5.069,32 3.069,33 5.154,35 4.004,36 12.677,37 6.639,38 2.068,39 1,40 0.968,41 4.399,42 4.399,43 1,44 1.023,45 15.686,47 8.891,48 1.627,49 4.126,50 4.628,51 4.628,52 18.702,54 104.239,55 21.724,56 0.662,57 13.141,58 1.6,59 5.327,61 1.014,62 1.961,63 7,64 1.06,65 -0.545,66 9.679,67 -0.693,68 1.568,69 4.301}
{0 CHEMBL117738,3 3.784,4 6.5,5 6.5,6 6.721,9 10.163,10 10.163,11 10.163,12 9.91,13 23.351,14 4.02,15 4.02,16 1.973,17 16.961,18 13.937,21 4.875,22 4.875,24 18.011,27 6.875,28 0.272,29 3.069,30 3.069,31 5.069,32 3.069,33 5.128,35 4.02,36 12.677,37 6.639,38 2.118,39 1,40 0.578,41 4.298,42 4.298,43 1,44 1.057,45 15.686,47 8.891,48 1.628,49 3.905,50 4.628,51 4.628,52 18.702,54 75.81,55 21.724,56 0.825,57 13.141,58 1.5,59 5.298,61 0.746,62 2.003,63 5,64 1.14,65 -0.506,66 9.679,67 0.992,68 1.569,69 4.301}
{0 CHEMBL117796,3 3.475,4 6.4,5 6.4,6 4.635,9 9.693,10 9.693,11 9.693,12 7.025,13 23.578,14 3.962,15 3.962,16 2.314,17 16.082,18 13.33,19 1,21 4.021,22 4.021,24 18.011,27 6.021,28 0.288,29 2.967,30 2.967,31 4.967,32 2.967,33 5.058,34 2,35 3.23,36 8.121,37 5.043,38 2.082,40 1.382,41 4.276,42 4.276,44 1.068,45 9.969,47 4.455,48 1.584,49 3.984,50 2.643,51 2.643,52 11.848,54 66.334,55 13.745,56 0.578,57 8.953,58 1.8,59 5.221,61 0.231,62 1.782,63 5,64 1.341,65 -0.98,66 6.324,67 -1.228,68 1.575,69 5.5}
{0 CHEMBL117918,3 3.401,4 6.5,5 6.5,6 4.249,9 10.163,10 10.163,11 10.163,12 6.187,13 23.038,14 4.036,15 4.036,16 2.392,17 16.961,18 13.649,21 4.001,22 4.001,24 18.011,27 6.001,28 0.292,29 3.069,30 3.069,31 5.069,32 3.069,33 5.13,35 3.134,36 7.297,37 4.39,38 2.105,39 1,40 0.592,41 4.309,42 4.309,43 1,44 1.022,45 8.954,47 4.222,48 1.633,49 3.899,50 2.408,51 2.408,52 10.649,54 66.334,55 12.368,56 0.825,57 7.951,58 1.6,59 5.309,61 0.731,62 1.949,63 5,64 1.303,65 -0.35,66 5.706,67 -1.187,68 1.568,69 4.301}
{0 CHEMBL118169,3 3.784,4 6.5,5 6.5,6 6.722,9 10.163,10 10.163,11 10.163,12 9.91,13 23.316,14 4.02,15 4.02,16 1.978,17 16.961,18 13.499,21 4.875,22 4.875,24 18.011,27 6.875,28 0.283,29 3.069,30 3.069,31 5.069,32 3.069,33 5.133,35 4.03,36 12.677,37 6.639,38 2.042,39 1,40 0.682,41 4.298,42 4.298,43 1,44 0.981,45 15.686,47 8.891,48 1.672,49 3.899,50 4.628,51 4.628,52 18.702,54 66.334,55 21.724,56 0.947,57 13.141,58 1.6,59 5.232,61 0.779,62 1.86,63 5,64 1.194,65 -0.161,66 9.679,67 -0.591,68 1.704,69 6.036}
{0 CHEMBL118251,3 3.401,4 6.5,5 6.5,6 4.233,9 10.163,10 10.163,11 10.163,12 6.187,13 23.078,14 4.036,15 4.036,16 2.386,17 16.961,18 13.88,21 4.001,22 4.001,24 18.011,27 6.001,28 0.28,29 3.069,30 3.069,31 5.069,32 3.069,33 5.131,35 3.067,36 7.297,37 4.39,38 2.094,39 1,40 0.539,41 4.309,42 4.309,43 1,44 1.006,45 8.954,47 4.222,48 1.669,49 3.899,50 2.408,51 2.408,52 10.649,54 66.334,55 12.368,56 0.937,57 7.951,58 1.4,59 5.241,61 0.718,62 1.975,63 5,64 1.272,65 -0.229,66 5.703,67 -1.174,68 1.701,69 4.301}
{0 CHEMBL118417,1 1,2 1,3 2.446,4 5.736,5 5.736,6 3.884,7 1,8 1,9 7.414,10 7.414,11 7.414,12 6.233,13 10.585,14 3.561,15 3.561,16 2.4,17 12.743,20 1,21 3.803,22 3.803,23 1,24 42.683,25 1,27 5.765,28 0.1,29 2.644,30 2.644,31 4.616,32 2.644,33 4.536,34 1,35 2.449,36 7.279,37 4.32,38 2.082,40 0.643,41 3.832,42 3.832,44 0.953,45 9.055,46 8.712,47 4.183,48 1.401,49 2.833,50 2.467,51 2.467,52 10.847,55 12.646,56 0.727,57 8.085,59 4.802,60 1,61 0.868,62 1.914,64 1.462,65 -0.351,66 5.539,67 -0.733,68 1.424,69 5.429}
{0 CHEMBL118577,1 1,2 1,3 3.428,4 6.354,5 6.354,6 4.544,7 1,8 1,9 9.498,10 9.498,11 9.498,12 6.914,13 22.748,14 3.943,15 3.943,16 2.869,17 15.807,18 13.052,19 1,21 3.995,22 3.995,23 1,24 60.694,25 1,26 1,27 5.995,28 0.299,29 2.945,30 2.945,31 4.945,32 2.945,33 5.04,34 2,35 3.17,36 7.982,37 4.973,38 2.082,40 1.047,41 4.276,42 4.276,44 0.9,45 9.808,46 9.15,47 4.403,48 1.518,49 3.976,50 2.609,51 2.609,52 11.664,54 66.334,55 13.539,56 0.576,57 8.81,58 1.9,59 5.221,60 2,61 0.23,62 1.78,63 5,64 1.264,65 -1.216,66 6.208,67 -1.959,68 1.522,69 5.51}
{0 CHEMBL118753,3 3.784,4 6.5,5 6.5,6 6.722,9 10.163,10 10.163,11 10.163,12 9.91,13 23.369,14 4.02,15 4.02,16 1.977,17 16.961,18 13.57,21 4.875,22 4.875,24 18.011,27 6.875,28 0.266,29 3.069,30 3.069,31 5.069,32 3.069,33 5.132,35 4.03,36 12.677,37 6.639,38 2.045,39 1,40 0.619,41 4.298,42 4.298,43 1,44 1.033,45 15.686,47 8.891,48 1.706,49 3.899,50 4.628,51 4.628,52 18.702,54 66.334,55 21.724,56 0.951,57 13.141,58 1.4,59 5.242,61 0.741,62 1.975,63 5,64 1.214,65 -0.183,66 9.679,67 -0.589,68 1.74,69 4.301}
{0 CHEMBL118756,3 3.401,4 6.5,5 6.5,6 4.233,9 10.163,10 10.163,11 10.163,12 6.187,13 23.049,14 4.036,15 4.036,16 2.386,17 16.961,18 13.834,21 4.001,22 4.001,24 18.011,27 6.001,28 0.289,29 3.069,30 3.069,31 5.069,32 3.069,33 5.13,35 3.067,36 7.297,37 4.39,38 2.142,39 1,40 0.573,41 4.309,42 4.309,43 1,44 1.008,45 8.954,47 4.222,48 1.633,49 3.899,50 2.408,51 2.408,52 10.649,54 66.334,55 12.368,56 0.825,57 7.951,58 1.5,59 5.309,61 0.722,62 1.998,63 5,64 1.264,65 -0.218,66 5.703,67 -1.175,68 1.568,69 4.301}
{0 CHEMBL118816,1 1,2 1,3 3.339,4 6.302,5 6.302,6 4.164,7 1,8 1,9 9.281,10 9.281,11 9.281,12 6.306,13 22.221,14 3.93,15 3.93,16 2.887,17 15.59,18 12.997,19 1,21 3.935,22 3.935,23 1,24 93.591,25 1,26 1,27 5.935,28 0.308,29 2.923,30 2.923,31 4.923,32 2.923,33 5.026,34 2,35 2.97,36 7.337,37 4.492,38 2.082,40 0.8,41 4.276,42 4.276,44 0.859,45 9.057,46 9.019,47 4.18,48 1.398,49 3.965,50 2.452,51 2.452,52 10.81,54 66.334,55 12.582,56 0.544,57 8.098,58 3.8,59 5.221,60 2,61 0.221,62 1.781,63 5,64 1.171,65 -1.23,66 5.683,67 -2.065,68 1.353,69 5.441}
{0 CHEMBL118887,1 1,2 1,3 3.631,4 7.307,5 7.307,6 5.588,7 1,8 1,9 12.573,10 12.573,11 12.573,12 9.421,13 10.932,14 4.355,15 4.355,16 5.847,17 20.47,18 11.629,21 4.471,22 4.471,23 1,24 42.683,25 1,27 6.471,28 0.331,29 3.441,30 3.441,31 5.441,32 3.441,33 5.465,35 3.494,36 10.757,37 6.766,38 2.045,40 0.582,41 4.746,42 4.746,43 1,44 0.843,45 13.425,46 8.966,47 5.436,48 1.623,49 4.267,50 3.825,51 3.825,52 16.103,53 1.622,54 65.905,55 18.784,56 0.553,57 12.087,58 3.7,59 5.648,60 2,61 0.958,62 1.839,63 4,64 1.007,66 8.119,67 -0.925,68 1.55,69 6.903}
{0 CHEMBL118939,1 1,2 1,3 3.729,4 7.111,5 7.111,6 5.585,7 1,8 1,9 11.658,10 11.658,11 11.658,12 9.418,13 23.515,14 4.175,15 4.175,16 5.713,17 18.551,18 9.168,20 1,21 4.46,22 4.46,23 1,24 60.694,25 1,26 1,27 6.46,28 0.306,29 3.315,30 3.315,31 5.315,32 3.315,33 5.188,35 3.516,36 10.755,37 6.762,38 2.069,40 1.083,41 4.448,42 4.448,44 0.678,45 13.424,46 9.225,47 5.409,48 1.453,49 4.081,50 3.825,51 3.825,52 16.102,54 66.334,55 18.784,56 0.549,57 12.086,58 2,59 5.332,60 2,61 0.913,62 1.899,63 5,64 0.986,65 -0.516,66 8.115,67 -1.399,68 1.445,69 6.886}
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{0 CHEMBL119066,3 3.401,4 6.716,5 6.716,6 4.233,9 10.904,10 10.904,11 10.904,12 6.187,13 23.098,14 4.218,15 4.218,16 2.387,17 17.702,18 13.857,21 4.001,22 4.001,24 18.011,27 6.001,28 0.272,29 3.218,30 3.218,31 5.218,32 3.218,33 5.312,35 3.067,36 7.297,37 4.39,38 2.158,39 1,40 0.506,41 4.322,42 4.322,43 1,44 1.083,45 8.954,47 4.222,48 1.634,49 4.192,50 2.408,51 2.408,52 10.649,54 66.334,55 12.368,56 0.848,57 7.951,58 1.4,59 5.322,61 0.694,62 2.007,63 5,64 1.28,65 -0.259,66 5.703,67 -1.177,68 1.587,69 4.301}
{0 CHEMBL119496,3 3.784,4 6.5,5 6.5,6 6.727,9 10.163,10 10.163,11 10.163,12 9.91,13 36.302,14 4.043,15 4.043,16 1.989,17 16.99,18 13.171,21 4.875,22 4.875,24 18.011,27 6.875,28 0.296,29 3.069,30 3.069,31 5.069,32 3.069,33 5.151,35 4.062,36 12.677,37 6.639,38 2.117,39 1,40 1,41 4.36,42 4.36,43 1,44 1.047,45 15.686,47 8.891,48 1.628,49 4.006,50 4.628,51 4.628,52 18.702,54 66.334,55 21.724,56 0.825,57 13.141,58 1.5,59 5.36,61 0.945,62 2.004,63 5,64 1.156,65 -0.359,66 9.68,67 -0.334,68 1.569,69 4.301}
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{0 CHEMBL120456,1 1,2 1,3 3.719,4 7.111,5 7.111,6 5.585,7 1,8 1,9 11.657,10 11.657,11 11.657,12 9.418,13 23.525,14 4.171,15 4.171,16 5.664,17 18.533,18 9.324,20 1,21 4.46,22 4.46,23 1,24 60.694,25 1,26 1,27 6.46,28 0.318,29 3.313,30 3.313,31 5.313,32 3.313,33 5.183,35 3.516,36 10.755,37 6.762,38 2.055,40 1.095,41 4.439,42 4.439,44 0.766,45 13.424,46 9.028,47 5.409,48 1.388,49 3.887,50 3.825,51 3.825,52 16.102,54 66.334,55 18.784,56 0.478,57 12.086,58 2.1,59 5.321,60 2,61 0.654,62 1.824,63 5,64 0.971,65 -0.614,66 8.115,67 -1.411,68 1.306,69 5.553}
{0 CHEMBL120570,3 3.784,4 6.5,5 6.5,6 6.722,9 10.163,10 10.163,11 10.163,12 9.91,13 23.342,14 4.02,15 4.02,16 1.977,17 16.961,18 13.535,21 4.875,22 4.875,24 18.011,27 6.875,28 0.274,29 3.069,30 3.069,31 5.069,32 3.069,33 5.13,35 4.03,36 12.677,37 6.639,38 2.091,39 1,40 0.653,41 4.298,42 4.298,43 1,44 1.008,45 15.686,47 8.891,48 1.627,49 3.899,50 4.628,51 4.628,52 18.702,54 66.334,55 21.724,56 0.825,57 13.141,58 1.5,59 5.298,61 0.758,62 2.003,63 5,64 1.204,65 -0.172,66 9.679,67 -0.59,68 1.568,69 4.301}
{0 CHEMBL120611,1 1,2 1,3 3.729,4 7.111,5 7.111,6 5.584,7 1,8 1,9 11.657,10 11.657,11 11.657,12 9.418,13 23.848,14 4.171,15 4.171,16 5.633,17 18.533,18 9.739,20 1,21 4.46,22 4.46,23 1,24 60.694,25 1,26 1,27 6.46,28 0.294,29 3.313,30 3.313,31 5.313,32 3.313,33 5.183,35 3.5,36 10.755,37 6.762,38 2.063,40 1.038,41 4.439,42 4.439,44 0.911,45 13.424,46 9.233,47 5.409,48 1.467,49 3.919,50 3.825,51 3.825,52 16.102,54 66.334,55 18.784,56 0.563,57 12.086,58 1.9,59 5.345,60 2,61 0.797,62 1.889,63 5,64 1,65 -0.547,66 8.114,67 -1.292,68 1.46,69 5.824}
{0 CHEMBL120676,1 1,2 1,3 3.606,4 6.47,5 6.47,6 3.753,7 1,8 1,9 10.031,10 10.031,11 10.031,12 5.889,13 23.899,14 4.02,15 4.02,16 2.501,17 16.652,18 12.626,20 1,21 3.729,22 3.729,23 1,24 60.694,25 1,26 1,27 5.729,28 0.318,29 3.031,30 3.031,31 5.031,32 3.031,33 5.031,35 2.728,36 6.854,37 4.112,38 2.06,40 1.285,41 4.382,42 4.382,44 1.213,45 8.527,46 9.249,47 3.925,48 1.48,49 3.917,50 2.341,51 2.341,52 10.216,54 66.334,55 11.912,56 0.563,57 7.625,58 1.9,59 5.264,60 2,61 0.564,62 1.886,63 5,64 1.263,65 -0.478,66 5.228,67 -1.105,68 1.494,69 5.18}
{0 CHEMBL120744,1 1,2 1,3 3.788,4 7.111,5 7.111,6 5.618,7 1,8 1,9 11.657,10 11.657,11 11.657,12 9.425,13 23.884,14 4.171,15 4.171,16 5.676,17 18.533,18 9.168,19 1,21 4.46,22 4.46,23 1,24 60.694,25 1,27 6.46,28 0.298,29 3.313,30 3.313,31 5.313,32 3.313,33 5.186,34 1,35 3.592,36 10.761,37 6.771,38 2.046,40 1.018,41 4.439,42 4.439,43 2,44 0.724,45 13.427,46 9.226,47 5.506,48 1.493,49 3.925,50 3.825,51 3.825,52 16.104,54 66.334,55 18.785,56 0.567,57 12.09,58 1.9,59 5.324,60 2,61 0.507,62 1.818,63 5,64 1.023,65 -1.05,66 8.129,67 -1.613,68 1.5,69 5.523}
{0 CHEMBL120748,1 1,2 1,3 3.729,4 7.111,5 7.111,6 5.579,7 1,8 1,9 11.657,10 11.657,11 11.657,12 9.418,13 11.231,14 4.171,15 4.171,16 5.602,17 18.533,18 10.222,19 1,21 4.46,22 4.46,23 1,24 42.683,25 1,26 1,27 6.46,28 0.276,29 3.313,30 3.313,31 5.313,32 3.313,33 5.227,34 1,35 3.477,36 10.755,37 6.762,38 2.058,40 1.003,41 4.439,42 4.439,43 1,44 0.848,45 13.424,46 9.216,47 5.409,48 1.451,49 3.898,50 3.825,51 3.825,52 16.102,54 66.334,55 18.784,56 0.56,57 12.086,59 5.321,60 1,61 0.671,62 1.878,63 5,64 0.982,65 -0.478,66 8.114,67 -0.844,68 1.449,69 6.398}
{0 CHEMBL1209109,1 1,2 1,3 3.576,4 7.285,5 7.285,6 5.476,7 1,8 1,9 12.431,10 12.431,11 12.431,12 9.389,13 11.068,14 4.284,15 4.284,16 6.021,17 20.138,18 13.475,19 1,21 4.472,22 4.472,23 1,24 42.683,26 1,27 6.472,28 0.367,29 3.407,30 3.407,31 5.407,32 3.407,33 5.377,34 1,35 3.372,36 10.735,37 6.69,38 2.043,40 0.734,41 4.612,42 4.612,43 1,44 1.13,45 13.417,46 9.055,47 5.335,48 1.567,49 4.178,50 3.825,51 3.825,52 16.1,54 85.286,55 18.783,56 0.724,57 12.074,58 4.7,59 5.474,61 1.164,62 1.917,63 11,64 1.01,65 -0.111,66 8.065,67 -1.09,68 1.561,69 5}
{0 CHEMBL1209170,1 1,2 1,3 3.579,4 7.285,5 7.285,6 5.476,7 1,8 1,9 12.431,10 12.431,11 12.431,12 9.389,13 11.266,14 4.285,15 4.285,16 6.029,17 20.139,18 13.626,21 4.472,22 4.472,23 1,24 42.683,26 1,27 6.472,28 0.367,29 3.407,30 3.407,31 5.407,32 3.407,33 5.379,34 1,35 3.372,36 10.735,37 6.69,38 2.043,40 0.77,41 4.621,42 4.621,44 1.142,45 13.417,46 9.211,47 5.335,48 1.499,49 4.214,50 3.825,51 3.825,52 16.1,54 85.286,55 18.783,56 0.74,57 12.074,58 4.8,59 5.517,61 1.343,62 1.906,63 11,64 0.969,65 0.135,66 8.065,67 -1.124,68 1.439,69 5}
{0 CHEMBL1209173,1 1,2 1,3 3.576,4 7.285,5 7.285,6 5.476,7 1,8 1,9 12.431,10 12.431,11 12.431,12 9.389,13 11.071,14 4.284,15 4.284,16 6.011,17 20.138,18 13.565,19 1,21 4.472,22 4.472,23 1,24 42.683,26 1,27 6.472,28 0.367,29 3.407,30 3.407,31 5.407,32 3.407,33 5.378,34 1,35 3.372,36 10.735,37 6.69,38 2.043,40 0.766,41 4.621,42 4.621,43 1,44 1.105,45 13.417,46 9.058,47 5.335,48 1.499,49 4.214,50 3.825,51 3.825,52 16.1,54 85.286,55 18.783,56 0.742,57 12.074,58 4.8,59 5.517,61 1.17,62 1.906,63 11,64 0.969,65 0.139,66 8.065,67 -1.086,68 1.439,69 5}
{0 CHEMBL121,3 3.709,4 6.15,5 6.15,6 6.584,9 9.095,10 9.095,11 9.095,12 9.546,13 22.777,14 3.89,15 3.89,16 1.938,17 15.26,18 15.181,21 4.838,22 4.838,24 18.011,27 6.838,28 0.283,29 2.946,30 2.946,31 4.946,32 2.946,33 4.984,35 3.899,36 12.419,37 6.32,38 2.031,39 1,40 0.767,41 4.148,42 4.148,44 0.927,45 15.361,47 8.622,48 1.396,49 3.988,50 4.464,51 4.464,52 18.308,54 66.334,55 21.26,56 0.239,57 12.718,58 6.8,59 5.078,61 0.721,62 1.768,63 3,64 1.313,65 -0.341,66 9.486,67 -0.486,68 1.431,69 5.221}
{0 CHEMBL121206,1 1,2 1,3 3.632,4 7.307,5 7.307,6 5.588,7 1,8 1,9 12.573,10 12.573,11 12.573,12 9.421,13 11.013,14 4.355,15 4.355,16 5.841,17 20.47,18 11.786,19 1,20 1,21 4.471,22 4.471,23 1,24 42.683,25 1,27 6.471,28 0.32,29 3.441,30 3.441,31 5.441,32 3.441,33 5.454,34 1,35 3.494,36 10.757,37 6.766,38 2.046,40 0.591,41 4.746,42 4.746,43 1,44 0.869,45 13.425,46 9.032,47 5.436,48 1.641,49 4.267,50 3.825,51 3.825,52 16.103,53 1.597,54 65.905,55 18.784,56 0.556,57 12.087,58 3.5,59 5.668,60 1,61 0.975,62 1.856,63 4,64 1.02,66 8.119,67 -0.929,68 1.558,69 6.215}
{0 CHEMBL122070,1 1,2 1,3 3.606,4 6.47,5 6.47,6 3.753,7 1,8 1,9 10.031,10 10.031,11 10.031,12 5.889,13 24.165,14 4.02,15 4.02,16 2.506,17 16.652,18 22.215,20 1,21 3.729,22 3.729,23 1,24 60.694,25 1,26 1,27 5.729,28 0.299,29 3.031,30 3.031,31 5.031,32 3.031,33 5.073,34 2,35 2.728,36 6.854,37 4.112,38 2.06,40 1.328,41 4.382,42 4.382,44 1.124,45 8.527,46 9.313,47 3.925,48 1.532,49 3.919,50 2.341,51 2.341,52 10.216,54 113.715,55 11.912,56 0.656,57 7.625,58 1.7,59 5.266,60 2,61 0.567,62 1.973,63 6,64 1.141,65 -0.49,66 5.228,67 -1.12,68 1.552,69 5.523}
{0 CHEMBL1222408,1 1,2 1,3 3.563,4 6.185,5 6.185,6 3.753,7 1,8 1,9 9.218,10 9.218,11 9.218,12 5.889,13 23.966,14 3.921,15 3.921,16 2.474,17 15.516,18 21.903,20 1,21 3.729,22 3.729,23 1,24 60.694,25 1,26 1,27 5.729,28 0.299,29 2.938,30 2.938,31 4.938,32 2.938,33 4.974,34 2,35 2.728,36 6.854,37 4.112,38 2.069,40 1.395,41 4.282,42 4.282,44 1.1,45 8.527,46 9.318,47 3.925,48 1.532,49 3.947,50 2.341,51 2.341,52 10.216,54 113.715,55 11.912,56 0.613,57 7.625,58 1.7,59 5.166,60 2,61 1.383,62 1.96,63 6,64 1.141,65 -0.442,66 5.228,67 -1.029,68 1.552,69 6.921}
{0 CHEMBL122417,3 3.401,4 6.5,5 6.5,6 4.233,9 10.163,10 10.163,11 10.163,12 6.187,13 22.839,14 4.036,15 4.036,16 2.392,17 16.961,18 15.079,21 4.001,22 4.001,24 18.011,27 6.001,28 0.279,29 3.069,30 3.069,31 5.069,32 3.069,33 5.127,35 3.067,36 7.297,37 4.39,38 2.055,39 1,40 0.663,41 4.298,42 4.298,43 1,44 0.932,45 8.954,47 4.222,48 1.499,49 3.899,50 2.408,51 2.408,52 10.649,54 75.81,55 12.368,56 0.503,57 7.951,58 2,59 5.225,61 0.875,62 1.854,63 4,64 1.269,65 -0.917,66 5.703,67 -1.187,68 1.432,69 5.412}
{0 CHEMBL122418,3 3.784,4 6.5,5 6.5,6 6.721,9 10.163,10 10.163,11 10.163,12 9.91,13 23.357,14 4.02,15 4.02,16 1.97,17 16.961,18 14.154,21 4.875,22 4.875,24 18.011,27 6.875,28 0.272,29 3.069,30 3.069,31 5.069,32 3.069,33 5.128,35 4.004,36 12.677,37 6.639,38 2.14,39 1,40 0.534,41 4.298,42 4.298,43 1,44 1.05,45 15.686,47 8.891,48 1.628,49 3.899,50 4.628,51 4.628,52 18.702,54 66.334,55 21.724,56 0.851,57 13.141,58 1.4,59 5.298,61 0.712,62 2.004,63 5,64 1.171,65 0.338,66 9.679,67 -0.573,68 1.569,69 4.301}
{0 CHEMBL124079,1 1,2 1,3 3.73,4 7.224,5 7.224,6 4.055,7 1,8 1,9 12.052,10 12.052,11 12.052,12 6.188,13 24.403,14 4.304,15 4.304,16 2.723,17 18.92,18 10.204,20 3,21 4.099,22 4.099,23 1,24 60.694,25 1,27 6.099,28 0.28,29 3.352,30 3.352,31 5.352,32 3.352,33 5.361,35 2.871,36 7.198,37 4.384,38 2.051,39 1,40 0.963,41 4.438,42 4.438,43 1,44 0.856,45 8.908,46 9.224,47 4.104,48 1.623,49 4.053,50 2.423,51 2.423,52 10.649,54 66.334,55 12.406,56 0.872,57 7.967,58 3,59 5.416,60 2,61 0.772,62 1.966,63 5,64 1.154,65 0.046,66 5.554,67 -1.459,68 1.634,69 6.102}
{0 CHEMBL1254672,1 1,2 1,3 3.664,4 7.119,5 7.119,6 5.474,7 1,8 1,9 11.704,10 11.704,11 11.704,12 9.388,13 23.773,14 4.204,15 4.204,16 6.038,17 19.081,18 7.046,20 5,21 4.461,22 4.461,23 1,24 60.694,26 1,27 6.461,28 0.365,29 3.33,30 3.33,31 5.33,32 3.33,33 5.243,35 3.375,36 10.735,37 6.69,38 2.062,40 0.976,41 4.587,42 4.587,44 0.642,45 13.417,46 9.162,47 5.335,48 1.456,49 4.238,50 3.825,51 3.825,52 16.1,54 75.81,55 18.783,56 0.673,57 12.074,58 1.7,59 5.484,60 2,61 0.79,62 1.957,63 10,64 0.875,66 8.065,67 -2.62,68 1.477,69 8.244}
{0 CHEMBL1254673,1 1,2 1,3 3.612,4 7.119,5 7.119,6 5.474,7 1,8 1,9 11.704,10 11.704,11 11.704,12 9.388,13 23.765,14 4.202,15 4.202,16 5.978,17 18.781,18 10.898,19 1,20 4,21 4.461,22 4.461,23 1,24 60.694,26 1,27 6.461,28 0.317,29 3.33,30 3.33,31 5.33,32 3.33,33 5.242,35 3.375,36 10.735,37 6.69,38 2.064,40 1.01,41 4.502,42 4.502,43 1,44 0.606,45 13.417,46 9.212,47 5.335,48 1.454,49 4.198,50 3.825,51 3.825,52 16.1,54 66.334,55 18.783,56 0.658,57 12.074,58 3.5,59 5.398,60 2,61 0.768,62 1.956,63 8,64 0.945,66 8.065,67 -2.027,68 1.477,69 6.658}
{0 CHEMBL1254756,1 1,2 1,3 3.627,4 7.119,5 7.119,6 5.474,7 1,8 1,9 11.704,10 11.704,11 11.704,12 9.388,13 24.205,14 4.218,15 4.218,16 5.982,17 19.081,18 8.168,19 1,20 6,21 4.461,22 4.461,23 1,24 60.694,26 1,27 6.461,28 0.358,29 3.33,30 3.33,31 5.33,32 3.33,33 5.258,35 3.375,36 10.735,37 6.69,38 2.08,40 0.932,41 4.587,42 4.587,43 1,44 0.685,45 13.417,46 9.484,47 5.335,48 1.537,49 4.238,50 3.825,51 3.825,52 16.1,54 56.857,55 18.783,56 0.705,57 12.074,58 3.2,59 5.484,60 3,61 0.731,62 1.961,63 10,64 0.97,66 8.065,67 -2.005,68 1.559,69 7.119}
{0 CHEMBL144112,1 2,2 2,3 3.788,4 6.185,5 6.185,6 4.592,7 2,8 2,9 9.169,10 9.169,11 9.169,12 6.803,13 22.689,14 3.941,15 3.941,16 2.629,17 15.401,18 31.789,21 3.788,22 3.788,23 2,24 85.367,25 2,27 5.788,28 0.296,29 2.941,30 2.941,31 4.941,32 2.941,33 4.995,35 3.358,36 7.836,37 4.924,38 2.112,40 0.918,41 4.322,42 4.322,43 2,44 1.009,45 9.573,46 18.599,47 4.104,48 1.806,49 4.079,50 2.423,51 2.423,52 11.328,54 170.572,55 13.092,56 0.954,57 8.62,59 5.17,60 4,61 0.265,62 2.033,63 8,64 1.139,65 -1.705,66 6.148,67 0.292,68 1.801,69 5.682}
{0 CHEMBL144489,1 1,2 1,3 2.999,4 6.165,5 6.165,6 3.909,7 1,8 1,9 9.108,10 9.108,11 9.108,12 6.111,13 11.218,14 3.909,15 3.909,16 2.611,17 15.272,18 26.311,21 3.788,22 3.788,23 1,24 42.683,25 1,27 5.788,28 0.27,29 2.909,30 2.909,31 4.909,32 2.909,33 4.96,35 2.699,36 7.143,37 4.238,38 2.104,40 0.948,41 4.289,42 4.289,43 1,44 0.989,45 8.879,46 9.199,47 4.104,48 1.595,49 4.05,50 2.423,51 2.423,52 10.635,54 132.667,55 12.399,56 0.806,57 7.928,59 5.137,60 2,61 0.304,62 1.949,63 5,64 1.072,65 -0.823,66 5.457,67 0.205,68 1.605,69 5.019}
{0 CHEMBL147721,1 2,2 2,3 3.788,4 5.968,5 5.968,6 4.592,7 2,8 2,9 8.443,10 8.443,11 8.443,12 6.803,13 22.501,14 3.78,15 3.78,16 2.639,17 14.265,18 22.204,21 3.788,22 3.788,23 2,24 85.367,25 2,27 5.788,28 0.231,29 2.808,30 2.808,31 4.808,32 2.808,33 4.83,35 3.358,36 7.836,37 4.924,38 2.038,40 1.056,41 4.218,42 4.218,43 2,44 1.051,45 9.573,46 18.443,47 4.104,48 1.744,49 4.077,50 2.423,51 2.423,52 11.328,54 151.62,55 13.092,56 0.9,57 8.62,59 5.065,60 4,61 0.318,62 2.022,63 6,64 1.115,65 -1.714,66 6.148,67 -1.944,68 1.762,69 5.664}
{0 CHEMBL148319,1 1,2 1,3 3.39,4 6.746,5 6.746,6 3.657,7 3,8 1,9 11.039,10 11.039,11 11.039,12 5.889,13 10.567,14 4.213,15 4.213,16 2.396,17 18.041,20 6,21 3.596,22 3.596,23 3,24 128.05,25 1,26 1,27 5.499,28 0.296,29 3.219,30 3.219,31 5.219,32 3.219,33 5.213,34 5,35 2.456,36 6.849,37 4.112,38 2.032,40 0.765,41 4.267,42 4.267,44 1.036,45 8.526,46 29.137,47 3.925,48 1.631,49 3.547,50 2.341,51 2.341,52 10.216,54 113.795,55 11.912,56 0.957,57 7.625,59 5.267,60 1,61 1.178,62 1.908,64 1.251,65 0.469,66 5.205,67 0.696,68 1.643,69 5.672}
{0 CHEMBL148639,1 1,2 1,3 3.879,4 7.224,5 7.224,6 4.125,7 1,8 1,9 12.052,10 12.052,11 12.052,12 6.21,13 23.877,14 4.314,15 4.314,16 2.677,17 19.089,18 15.8,20 1,21 4.099,22 4.099,23 1,24 42.683,25 1,27 6.099,28 0.268,29 3.352,30 3.352,31 5.352,32 3.352,33 5.365,34 1,35 3.029,36 7.212,37 4.435,38 2.098,39 1,40 1.295,41 4.442,42 4.442,44 1.168,45 8.915,46 9.191,47 4.104,48 1.644,49 4.35,50 2.423,51 2.423,52 10.653,54 75.81,55 12.408,56 0.733,57 7.978,58 4.3,59 5.394,60 2,61 0.545,62 1.885,63 4,64 1.363,66 5.586,67 -0.361,68 1.643,69 5.77}
{0 CHEMBL148774,1 1,2 1,3 3.892,4 7.224,5 7.224,6 4.125,7 2,8 1,9 12.052,10 12.052,11 12.052,12 6.21,13 23.992,14 4.304,15 4.304,16 2.692,17 19.097,18 15.314,20 3,21 4.099,22 4.099,23 2,24 85.367,25 1,27 6.099,28 0.28,29 3.352,30 3.352,31 5.352,32 3.352,33 5.355,34 5,35 3.029,36 7.212,37 4.435,38 2.06,39 1,40 1.272,41 4.438,42 4.438,44 0.884,45 8.915,46 18.581,47 4.104,48 1.607,49 4.006,50 2.423,51 2.423,52 10.653,54 118.493,55 12.408,56 0.81,57 7.978,58 4.7,59 5.39,60 2,61 0.653,62 1.885,63 4,64 1.342,66 5.586,67 -0.589,68 1.614,69 5.387}
{0 CHEMBL149438,1 1,2 1,3 3.889,4 7.224,5 7.224,6 4.12,7 1,8 1,9 12.052,10 12.052,11 12.052,12 6.21,13 24.117,14 4.304,15 4.304,16 2.664,17 19.096,18 7.556,20 1,21 4.099,22 4.099,23 1,24 42.683,25 1,27 6.099,28 0.253,29 3.352,30 3.352,31 5.352,32 3.352,33 5.355,34 1,35 3.003,36 7.212,37 4.435,38 2.112,39 1,40 1.329,41 4.438,42 4.438,44 0.994,45 8.915,46 9.198,47 4.104,48 1.643,49 3.999,50 2.423,51 2.423,52 10.653,54 37.905,55 12.408,56 0.973,57 7.977,58 4.3,59 5.438,60 2,61 0.508,62 1.927,63 2,64 1.463,65 0.575,66 5.584,67 -0.076,68 1.644,69 6.056}
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{0 CHEMBL153057,1 1,2 1,3 3.61,4 6.704,5 6.704,6 3.986,7 1,8 2,9 10.731,10 10.731,11 10.731,12 6.111,13 22.081,14 4.125,15 4.125,16 2.698,17 18.051,18 9.997,21 3.627,22 3.627,23 2,24 85.367,25 1,27 5.627,28 0.3,29 3.143,30 3.143,31 5.143,32 3.143,33 5.216,35 2.914,36 7.15,37 4.238,38 2.04,40 0.778,41 4.503,42 4.503,44 0.933,45 8.882,46 18.933,47 4.104,48 1.569,49 3.851,50 2.423,51 2.423,52 10.636,54 56.857,55 12.399,56 0.69,57 7.928,59 5.424,60 2,61 0.815,62 1.856,63 6,64 1.244,66 5.481,67 -1.212,68 1.589,69 6.235}
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{0 CHEMBL1643200,1 1,2 1,3 3.63,4 6.555,5 6.555,6 4.214,7 1,8 1,9 10.404,10 10.404,11 10.404,12 6.305,13 24.164,14 4.099,15 4.099,16 2.69,17 17.332,18 18.747,20 4,21 3.807,22 3.807,23 1,24 60.694,25 1,27 5.807,28 0.356,29 3.129,30 3.129,31 5.129,32 3.129,33 5.149,35 3.037,36 7.313,37 4.518,38 2.111,40 0.716,41 4.335,42 4.335,44 1.017,45 8.994,46 8.85,47 4.104,48 1.493,49 4.223,50 2.423,51 2.423,52 10.711,54 94.762,55 12.449,56 0.697,57 8.06,58 3.4,59 5.283,60 3,61 0.593,62 1.928,63 8,64 1.181,65 -0.398,66 5.697,67 -1.165,68 1.515,69 7.824}
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{0 CHEMBL1644310,1 1,2 1,3 3.629,4 6.322,5 6.322,6 4.826,7 1,8 1,9 9.675,10 9.675,11 9.675,12 6.111,13 10.641,14 4.009,15 4.009,16 2.682,17 16.255,18 13.373,20 1,21 4.01,22 4.01,23 1,24 42.683,25 1,27 6.01,28 0.358,29 3.032,30 3.032,31 5.032,32 3.032,33 5.065,34 1,35 3.253,36 8.36,37 4.238,38 2.04,40 0.67,41 4.405,42 4.405,43 1,44 0.813,45 10.164,46 8.724,47 4.992,48 1.548,49 3.98,50 2.496,51 2.496,52 11.974,54 66.334,55 13.787,56 0.652,57 7.928,58 3.7,59 5.218,60 3,61 0.576,62 1.782,63 8,64 1.202,66 6.571,67 -0.332,68 1.549,69 6.523}
{0 CHEMBL1644614,1 1,2 1,3 3.343,4 6.6,5 6.6,6 3.836,7 1,8 1,9 10.532,10 10.532,11 10.532,12 6.111,13 10.785,14 4.14,15 4.14,16 2.708,17 17.489,18 8.766,19 1,20 1,21 3.63,22 3.63,23 1,24 42.683,25 1,27 5.63,28 0.409,29 3.16,30 3.16,31 5.16,32 3.16,33 5.182,34 1,35 2.502,36 7.138,37 4.238,38 2.035,40 0.683,41 4.59,42 4.59,43 2,44 1.016,45 8.878,46 8.837,47 4.104,48 1.482,49 4.17,50 2.423,51 2.423,52 10.635,53 1.389,54 47.381,55 12.399,56 0.623,57 7.928,58 3.6,59 5.444,60 2,61 0.736,62 1.93,63 9,64 1.15,65 0.137,66 5.437,67 -1.041,68 1.476,69 7.602}
{0 CHEMBL1671971,3 4.474,4 7.255,5 7.255,6 6.775,9 12.282,10 12.282,11 12.282,12 10.106,13 22.856,14 4.268,15 4.268,16 5.973,17 19.817,18 7.301,19 1,21 4.802,22 4.802,24 18.011,27 6.802,28 0.338,29 3.389,30 3.389,31 5.389,32 3.389,33 5.365,35 4.251,36 12.376,37 7.182,38 2.009,39 1,40 0.89,41 4.57,42 4.57,43 1,44 0.944,45 15.22,47 8.335,48 1.4,49 4.179,50 4.337,51 4.337,52 18.076,54 66.334,55 20.942,56 0.174,57 13.033,58 5,59 5.375,61 1.085,62 1.585,63 6,64 0.841,66 9.55,67 -0.85,68 1.372,69 4.824}
{0 CHEMBL172490,1 1,2 1,3 3.358,4 6.884,5 6.884,6 3.882,7 1,8 1,9 11.523,10 11.523,11 11.523,12 6.111,13 10.888,14 4.249,15 4.249,16 2.675,17 19.067,18 20.917,21 3.774,22 3.774,23 1,24 42.683,25 1,27 5.774,28 0.305,29 3.26,30 3.26,31 5.26,32 3.26,33 5.345,35 2.719,36 7.139,37 4.238,38 2.071,40 1.157,41 4.692,42 4.692,44 0.992,45 8.878,46 8.924,47 4.104,48 1.715,49 4.069,50 2.423,51 2.423,52 10.635,53 1.763,54 104.239,55 12.399,56 0.919,57 7.928,58 1.6,59 5.613,60 2,61 0.528,62 1.981,63 6,64 1.132,65 -0.905,66 5.444,67 -1.008,68 1.74,69 7.886}
{0 CHEMBL172492,1 1,2 1,3 3.358,4 6.884,5 6.884,6 2.46,7 1,8 1,9 11.523,10 11.523,11 11.523,13 10.592,14 4.249,15 4.249,16 2.632,17 19.067,18 21.446,21 3.474,22 3.474,23 1,24 42.683,25 1,26 1,27 5.474,28 0.272,29 3.26,30 3.26,31 5.26,32 3.26,33 5.33,35 2.09,36 3.65,38 2.071,40 0.799,41 4.692,42 4.692,44 1.086,45 4.341,46 8.693,47 2.873,48 1.663,49 4.069,50 1.437,51 1.437,52 5.052,53 1.804,54 123.191,55 5.77,56 0.722,58 1.6,59 5.625,60 2,61 0.404,62 1.992,63 6,64 1.066,66 3.006,67 -0.966,68 1.637,69 6.386}
{0 CHEMBL172718,1 1,2 1,3 3.358,4 6.884,5 6.884,6 3.792,7 1,8 1,9 11.523,10 11.523,11 11.523,12 6.05,13 10.875,14 4.249,15 4.249,16 2.525,17 19.067,18 21.188,21 3.636,22 3.636,23 1,24 42.683,25 1,26 1,27 5.636,28 0.289,29 3.26,30 3.26,31 5.26,32 3.26,33 5.339,35 2.599,36 7.043,37 4.213,38 2.071,40 0.673,41 4.692,42 4.692,44 1.017,45 8.766,46 8.93,47 4.03,48 1.603,49 4.09,50 2.397,51 2.397,52 10.503,53 1.765,54 104.239,55 12.247,56 0.678,57 7.838,58 1.7,59 5.613,60 1,61 0.886,62 1.991,63 6,64 1.071,66 5.359,67 -0.858,68 1.573,69 7.585}
{0 CHEMBL172931,1 1,2 1,3 3.358,4 6.884,5 6.884,6 3.685,7 1,8 1,9 11.523,10 11.523,11 11.523,12 5.889,13 10.679,14 4.249,15 4.249,16 2.452,17 19.067,18 21.746,21 3.6,22 3.6,23 1,24 42.683,25 1,26 1,27 5.6,28 0.272,29 3.26,30 3.26,31 5.26,32 3.26,33 5.33,35 2.527,36 6.85,37 4.112,38 2.072,40 0.943,41 4.692,42 4.692,44 1.093,45 8.526,46 8.779,47 3.925,48 1.711,49 4.042,50 2.341,51 2.341,52 10.216,53 1.813,54 104.239,55 11.912,56 0.889,57 7.625,58 1.5,59 5.626,60 2,61 0.392,62 1.992,63 6,64 1.1,66 5.21,67 -0.785,68 1.707,69 7.426}
{0 CHEMBL172959,1 1,2 1,3 3.358,4 6.884,5 6.884,6 2.46,7 1,8 1,9 11.523,10 11.523,11 11.523,13 10.595,14 4.249,15 4.249,16 2.637,17 19.067,18 21.327,21 3.474,22 3.474,23 1,24 42.683,25 1,26 1,27 5.474,28 0.28,29 3.26,30 3.26,31 5.26,32 3.26,33 5.339,35 2.09,36 3.65,38 2.071,40 0.795,41 4.692,42 4.692,44 1.015,45 4.341,46 8.694,47 2.873,48 1.651,49 4.069,50 1.437,51 1.437,52 5.052,53 1.776,54 123.191,55 5.77,56 0.604,58 1.6,59 5.612,60 2,61 0.434,62 1.991,63 6,64 1.051,66 3.006,67 -0.971,68 1.627,69 6.83}
{0 CHEMBL173159,1 1,2 1,3 3.358,4 7.224,5 7.224,6 3.685,7 1,8 1,9 12.052,10 12.052,11 12.052,12 5.889,13 11.332,14 4.352,15 4.352,16 2.463,17 19.596,18 21.802,21 3.99,22 3.99,23 1,24 42.683,25 1,26 1,27 5.99,28 0.256,29 3.352,30 3.352,31 5.352,32 3.352,33 5.434,35 2.527,36 6.85,37 4.112,38 2.072,40 1.681,41 4.692,42 4.692,44 1.079,45 8.526,46 9.307,47 3.925,48 1.728,49 4.137,50 2.341,51 2.341,52 10.216,53 1.81,54 104.239,55 11.912,56 0.967,57 7.625,58 1.4,59 5.626,60 2,61 0.516,62 1.993,63 6,64 1.125,66 5.21,67 -0.797,68 1.763,69 6.283}
{0 CHEMBL173236,1 1,2 1,3 3.359,4 6.884,5 6.884,6 3.685,7 1,8 1,9 11.523,10 11.523,11 11.523,12 5.889,13 10.635,14 4.249,15 4.249,16 2.429,17 19.067,18 21.783,20 2,21 3.596,22 3.596,23 1,24 42.683,25 1,26 1,27 5.596,28 0.28,29 3.26,30 3.26,31 5.26,32 3.26,33 5.351,35 2.527,36 6.85,37 4.112,38 2.071,40 0.903,41 4.692,42 4.692,43 1,44 0.947,45 8.526,46 8.746,47 3.925,48 1.66,49 4.039,50 2.341,51 2.341,52 10.216,53 1.763,54 104.239,55 11.912,56 0.929,57 7.625,58 1.6,59 5.597,60 2,61 0.925,62 1.991,63 6,64 1.086,66 5.21,67 -0.763,68 1.669,69 6.807}
{0 CHEMBL173285,1 1,2 1,3 3.358,4 6.884,5 6.884,6 3.792,7 1,8 1,9 11.523,10 11.523,11 11.523,12 6.05,13 10.764,14 4.249,15 4.249,16 2.511,17 19.067,18 21.165,19 1,21 3.635,22 3.635,23 1,24 42.683,25 1,26 1,27 5.635,28 0.289,29 3.26,30 3.26,31 5.26,32 3.26,33 5.338,34 1,35 2.599,36 7.043,37 4.213,38 2.071,40 0.69,41 4.692,42 4.692,43 1,44 1.02,45 8.766,46 8.841,47 4.03,48 1.599,49 4.059,50 2.397,51 2.397,52 10.503,53 1.776,54 104.239,55 12.247,56 0.674,57 7.838,58 1.7,59 5.612,61 0.545,62 1.991,63 6,64 1.071,66 5.359,67 -0.844,68 1.567,69 6.833}
{0 CHEMBL173386,1 1,2 1,3 3.401,4 7.305,5 7.305,6 3.685,7 1,8 1,9 12.489,10 12.489,11 12.489,12 5.889,13 11.095,14 4.387,15 4.387,16 2.466,17 20.033,18 21.839,21 3.753,22 3.753,23 1,24 42.683,25 1,26 1,27 5.753,28 0.256,29 3.387,30 3.387,31 5.387,32 3.387,33 5.469,35 2.527,36 6.85,37 4.112,38 2.08,40 0.74,41 4.692,42 4.692,44 1.037,45 8.526,46 9.115,47 3.925,48 1.725,49 4.137,50 2.341,51 2.341,52 10.216,53 1.81,54 104.239,55 11.912,56 0.935,57 7.625,58 1.4,59 5.626,60 2,61 0.417,62 1.993,63 6,64 1.125,66 5.21,67 -0.799,68 1.758,69 6.277}
{0 CHEMBL173409,1 1,2 1,3 3.358,4 6.884,5 6.884,6 3.882,7 1,8 1,9 11.523,10 11.523,11 11.523,12 6.111,13 10.638,14 4.249,15 4.249,16 2.683,17 19.067,18 21.039,19 1,20 1,21 3.628,22 3.628,23 1,24 42.683,25 1,27 5.628,28 0.274,29 3.26,30 3.26,31 5.26,32 3.26,33 5.336,34 1,35 2.719,36 7.139,37 4.238,38 2.071,40 0.612,41 4.692,42 4.692,43 1,44 1.084,45 8.878,46 8.721,47 4.104,48 1.681,49 4.074,50 2.423,51 2.423,52 10.635,53 1.784,54 104.239,55 12.399,56 0.719,57 7.928,58 1.6,59 5.626,60 1,61 0.693,62 1.983,63 6,64 1.132,66 5.444,67 -1.016,68 1.64,69 7.328}
{0 CHEMBL173494,1 1,2 1,3 3.358,4 6.884,5 6.884,6 3.882,7 1,8 1,9 11.523,10 11.523,11 11.523,12 6.111,13 10.557,14 4.249,15 4.249,16 2.679,17 19.067,18 20.879,21 3.627,22 3.627,23 1,24 42.683,25 1,27 5.627,28 0.283,29 3.26,30 3.26,31 5.26,32 3.26,33 5.344,35 2.719,36 7.139,37 4.238,38 2.071,40 0.652,41 4.692,42 4.692,44 0.995,45 8.878,46 8.656,47 4.104,48 1.672,49 4.042,50 2.423,51 2.423,52 10.635,53 1.765,54 104.239,55 12.399,56 0.697,57 7.928,58 1.6,59 5.613,60 2,61 0.463,62 1.978,63 6,64 1.119,66 5.444,67 -1.012,68 1.635,69 7.796}
{0 CHEMBL173828,1 1,2 1,3 3.632,4 7.307,5 7.307,6 5.588,7 1,8 1,9 12.573,10 12.573,11 12.573,12 9.421,13 11.016,14 4.355,15 4.355,16 5.833,17 20.47,18 11.922,19 1,20 1,21 4.471,22 4.471,23 1,24 42.683,25 1,27 6.471,28 0.31,29 3.441,30 3.441,31 5.441,32 3.441,33 5.445,34 1,35 3.494,36 10.757,37 6.766,38 2.047,40 0.586,41 4.746,42 4.746,43 1,44 0.897,45 13.425,46 9.035,47 5.436,48 1.648,49 4.267,50 3.825,51 3.825,52 16.103,53 1.678,54 65.905,55 18.784,56 0.717,57 12.087,58 3.3,59 5.681,60 1,61 0.888,62 1.914,63 4,64 1.033,66 8.119,67 -0.917,68 1.565,69 5}
{0 CHEMBL174764,1 1,2 1,3 3.358,4 7.224,5 7.224,6 3.882,7 1,8 1,9 12.054,10 12.054,11 12.054,12 6.111,13 11.291,14 4.305,15 4.305,16 2.694,17 19.598,18 21.094,19 1,20 1,21 4.099,22 4.099,23 1,24 42.683,25 1,27 6.099,28 0.259,29 3.352,30 3.352,31 5.352,32 3.352,33 5.397,34 1,35 2.719,36 7.139,37 4.238,38 2.071,40 1.491,41 4.692,42 4.692,43 1,44 1.048,45 8.878,46 9.249,47 4.104,48 1.728,49 4.137,50 2.423,51 2.423,52 10.635,53 1.781,54 104.239,55 12.399,56 0.967,57 7.928,58 1.4,59 5.627,60 1,61 0.696,62 1.987,63 6,64 1.156,66 5.444,67 -1.028,68 1.763,69 6.959}
{0 CHEMBL175213,1 1,2 1,3 3.358,4 6.884,5 6.884,6 3.792,7 1,8 1,9 11.523,10 11.523,11 11.523,12 6.05,13 11.027,14 4.249,15 4.249,16 2.545,17 19.067,18 21.206,20 1,21 3.646,22 3.646,23 1,24 42.683,25 1,26 1,27 5.646,28 0.289,29 3.26,30 3.26,31 5.26,32 3.26,33 5.34,35 2.599,36 7.043,37 4.213,38 2.071,40 0.744,41 4.692,42 4.692,44 1.021,45 8.766,46 9.051,47 4.03,48 1.609,49 4.137,50 2.397,51 2.397,52 10.503,53 1.752,54 104.239,55 12.247,56 0.684,57 7.838,58 1.7,59 5.618,60 1,61 0.925,62 1.991,63 6,64 1.071,66 5.359,67 -0.879,68 1.581,69 7.208}
{0 CHEMBL175310,1 1,2 1,3 3.631,4 7.307,5 7.307,6 5.588,7 1,8 1,9 12.573,10 12.573,11 12.573,12 9.421,13 11.013,14 4.355,15 4.355,16 5.841,17 20.47,18 11.85,19 1,20 1,21 4.471,22 4.471,23 1,24 42.683,25 1,27 6.471,28 0.32,29 3.441,30 3.441,31 5.441,32 3.441,33 5.452,34 1,35 3.494,36 10.757,37 6.766,38 2.046,40 0.587,41 4.746,42 4.746,43 1,44 0.879,45 13.425,46 9.032,47 5.436,48 1.643,49 4.267,50 3.825,51 3.825,52 16.103,53 1.7,54 65.905,55 18.784,56 0.557,57 12.087,58 3.5,59 5.666,60 1,61 0.968,62 1.855,63 4,64 1.02,66 8.119,67 -0.929,68 1.559,69 7.097}
{0 CHEMBL175332,1 1,2 1,3 3.358,4 6.884,5 6.884,6 3.685,7 1,8 1,9 11.523,10 11.523,11 11.523,12 5.889,13 10.632,14 4.249,15 4.249,16 2.424,17 19.067,18 21.933,20 2,21 3.596,22 3.596,23 1,24 42.683,25 1,26 1,27 5.596,28 0.272,29 3.26,30 3.26,31 5.26,32 3.26,33 5.339,35 2.527,36 6.85,37 4.112,38 2.071,40 0.932,41 4.692,42 4.692,44 1.043,45 8.526,46 8.744,47 3.925,48 1.717,49 4.039,50 2.341,51 2.341,52 10.216,53 1.796,54 104.239,55 11.912,56 0.964,57 7.625,58 1.5,59 5.613,60 2,61 0.949,62 1.991,63 6,64 1.1,66 5.21,67 -0.758,68 1.746,69 6.738}
{0 CHEMBL1760005,1 1,2 1,3 4.437,4 7.787,5 7.787,6 5.784,7 1,8 1,9 14.228,10 14.228,11 14.228,12 9.783,13 39.295,14 4.525,15 4.525,16 6.081,17 22.905,18 12.732,20 1,21 4.753,22 4.753,23 1,24 42.683,25 1,27 6.753,28 0.314,29 3.598,30 3.598,31 5.598,32 3.598,33 5.613,35 3.569,36 11.173,37 7.016,38 2.061,40 0.902,41 4.996,42 4.996,44 0.735,45 13.95,46 9.166,47 5.712,48 1.605,49 4.292,50 4.032,51 4.032,52 16.734,54 91.094,55 19.521,56 0.786,57 12.558,58 1.4,59 5.879,60 3,61 0.719,62 1.964,63 9,64 1.077,65 -1.128,66 8.425,67 -1.156,68 1.646,69 7.7}
{0 CHEMBL1760266,1 1,2 1,3 4.46,4 7.725,5 7.725,6 5.603,7 1,8 1,9 13.92,10 13.92,11 13.92,12 9.425,13 38.284,14 4.478,15 4.478,16 5.7,17 22.238,18 15.549,21 4.731,22 4.731,23 1,24 42.683,25 1,27 6.731,28 0.284,29 3.552,30 3.552,31 5.552,32 3.552,33 5.558,35 3.477,36 10.761,37 6.771,38 2.087,40 0.929,41 4.958,42 4.958,44 0.85,45 13.427,46 8.829,47 5.506,48 1.608,49 4.236,50 3.825,51 3.825,52 16.104,54 110.046,55 18.785,56 0.706,57 12.09,58 1.5,59 5.859,60 3,61 0.801,62 1.993,63 7,64 1.04,65 0.212,66 8.128,67 -1.149,68 1.616,69 5.9}
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{0 CHEMBL1760402,1 1,2 1,3 3.779,4 7.791,5 7.791,6 3.861,7 1,8 1,9 14.267,10 14.267,11 14.267,12 6.111,13 39.101,14 4.527,15 4.527,16 5.223,17 22.955,18 14.858,19 1,21 4.757,22 4.757,23 1,24 42.683,25 1,27 6.757,28 0.333,29 3.601,30 3.601,31 5.601,32 3.601,33 5.616,35 2.64,36 7.139,37 4.238,38 2.088,40 1.232,41 4.999,42 4.999,43 1,44 1.046,45 8.878,46 9.082,47 4.104,48 1.577,49 4.302,50 2.423,51 2.423,52 10.635,54 91.094,55 12.399,56 0.765,57 7.928,58 1.5,59 5.884,60 1,61 0.949,62 1.92,63 9,64 1.192,65 -1.346,66 5.441,67 -1.295,68 1.608,69 6.3}
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{0 CHEMBL1760406,1 1,2 1,3 3.777,4 7.787,5 7.787,6 3.837,7 1,8 1,9 14.228,10 14.228,11 14.228,12 6.111,13 39.562,14 4.528,15 4.528,16 4.854,17 22.905,18 16.221,20 1,21 4.753,22 4.753,23 1,24 42.683,25 1,27 6.753,28 0.326,29 3.598,30 3.598,31 5.598,32 3.598,33 5.615,35 2.528,36 7.138,37 4.238,38 2.09,40 1.269,41 4.996,42 4.996,44 1.088,45 8.878,46 9.199,47 4.104,48 1.642,49 4.289,50 2.423,51 2.423,52 10.635,54 91.094,55 12.399,56 0.902,57 7.928,58 1.4,59 5.904,60 3,61 1.148,62 1.994,63 9,64 1.277,65 -1.052,66 5.437,67 -1.091,68 1.684,69 6.25}
{0 CHEMBL1760407,1 1,2 1,3 3.777,4 7.789,5 7.789,6 3.837,7 1,8 1,9 14.241,10 14.241,11 14.241,12 6.111,13 39.736,14 4.531,15 4.531,16 4.845,17 22.925,18 16.326,20 1,21 4.753,22 4.753,23 1,24 42.683,25 1,27 6.753,28 0.353,29 3.601,30 3.601,31 5.601,32 3.601,33 5.619,35 2.528,36 7.138,37 4.238,38 2.126,40 1.273,41 4.997,42 4.997,44 1.068,45 8.878,46 9.209,47 4.104,48 1.607,49 4.29,50 2.423,51 2.423,52 10.635,54 91.094,55 12.399,56 0.807,57 7.928,58 1.4,59 5.997,60 3,61 0.891,62 2.026,63 9,64 1.232,65 -0.747,66 5.437,67 -1.087,68 1.653,69 6.15}
{0 CHEMBL1760408,1 1,2 1,3 3.777,4 7.789,5 7.789,6 3.837,7 1,8 1,9 14.241,10 14.241,11 14.241,12 6.111,13 39.483,14 4.532,15 4.532,16 4.828,17 22.926,18 16.269,20 1,21 4.753,22 4.753,23 1,24 42.683,25 1,27 6.753,28 0.363,29 3.601,30 3.601,31 5.601,32 3.601,33 5.622,35 2.528,36 7.138,37 4.238,38 2.086,40 1.304,41 4.997,42 4.997,44 1.08,45 8.878,46 9.186,47 4.104,48 1.465,49 4.29,50 2.423,51 2.423,52 10.635,54 91.094,55 12.399,56 0.825,57 7.928,58 1.5,59 5.967,60 3,61 0.936,62 1.88,63 9,64 1.224,65 -0.728,66 5.437,67 -1.088,68 1.516,69 6.1}
{0 CHEMBL1760409,1 1,2 1,3 3.777,4 7.787,5 7.787,6 3.861,7 1,8 1,9 14.228,10 14.228,11 14.228,12 6.111,13 39.237,14 4.528,15 4.528,16 4.926,17 22.905,18 15.876,20 1,21 4.753,22 4.753,23 1,24 42.683,25 1,27 6.753,28 0.338,29 3.598,30 3.598,31 5.598,32 3.598,33 5.615,35 2.64,36 7.139,37 4.238,38 2.087,40 1.284,41 4.996,42 4.996,44 1.016,45 8.878,46 9.167,47 4.104,48 1.568,49 4.289,50 2.423,51 2.423,52 10.635,54 91.094,55 12.399,56 0.696,57 7.928,58 1.5,59 5.879,60 3,61 1.021,62 1.884,63 9,64 1.307,65 -1.068,66 5.441,67 -1.106,68 1.607,69 6.3}
{0 CHEMBL1760410,1 1,2 1,3 4.258,4 7.787,5 7.787,6 4.941,7 1,8 1,9 14.228,10 14.228,11 14.228,12 7.903,13 39.288,14 4.528,15 4.528,16 5.693,17 22.905,18 14.616,20 1,21 4.753,22 4.753,23 1,24 42.683,25 1,27 6.753,28 0.319,29 3.598,30 3.598,31 5.598,32 3.598,33 5.616,35 3.266,36 9.016,37 5.72,38 2.088,40 1.022,41 4.996,42 4.996,44 0.967,45 11.162,46 9.156,47 4.7,48 1.606,49 4.289,50 3.02,51 3.02,52 13.333,54 91.094,55 15.519,56 0.748,57 10.068,58 1.5,59 5.93,60 3,61 0.942,62 1.912,63 9,64 1.048,65 -1.164,66 6.92,67 -1.185,68 1.634,69 5.8}
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{0 CHEMBL1760413,1 1,2 1,3 4.461,4 7.778,5 7.778,6 5.603,7 1,8 1,9 14.178,10 14.178,11 14.178,12 9.425,13 39.202,14 4.519,15 4.519,16 5.969,17 22.785,18 12.093,20 1,21 4.752,22 4.752,23 1,24 42.683,25 1,27 6.752,28 0.319,29 3.591,30 3.591,31 5.591,32 3.591,33 5.606,35 3.477,36 10.761,37 6.771,38 2.072,40 1.099,41 4.991,42 4.991,44 1.186,45 13.427,46 9.152,47 5.506,48 1.621,49 4.305,50 3.825,51 3.825,52 16.104,54 91.094,55 18.785,56 0.796,57 12.09,58 1.5,59 5.875,60 3,61 1.139,62 1.963,63 9,64 1.048,65 -1.164,66 8.128,67 -1.185,68 1.654,69 7.1}
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{0 CHEMBL1760415,1 1,2 1,3 3.777,4 7.778,5 7.778,6 3.837,7 1,8 1,9 14.176,10 14.176,11 14.176,12 6.111,13 39.218,14 4.516,15 4.516,16 4.836,17 22.774,18 16.153,20 1,21 4.752,22 4.752,23 1,24 42.683,25 1,27 6.752,28 0.335,29 3.588,30 3.588,31 5.588,32 3.588,33 5.603,35 2.528,36 7.138,37 4.238,38 2.089,40 1.272,41 4.99,42 4.99,44 1.113,45 8.878,46 9.172,47 4.104,48 1.622,49 4.296,50 2.423,51 2.423,52 10.635,54 91.094,55 12.399,56 0.822,57 7.928,58 1.5,59 5.874,60 3,61 1.182,62 1.963,63 9,64 1.271,65 -1.051,66 5.437,67 -1.092,68 1.667,69 6.65}
{0 CHEMBL1760416,1 1,2 1,3 4.438,4 7.786,5 7.786,6 5.784,7 1,8 1,9 14.229,10 14.229,11 14.229,12 9.783,13 39.425,14 4.526,15 4.526,16 6.316,17 22.891,18 12.991,20 1,21 4.753,22 4.753,23 1,24 42.683,25 1,27 6.753,28 0.314,29 3.598,30 3.598,31 5.598,32 3.598,33 5.62,35 3.569,36 11.173,37 7.016,38 2.066,40 0.904,41 4.996,42 4.996,44 1.038,45 13.95,46 9.167,47 5.712,48 1.607,49 4.275,50 4.032,51 4.032,52 16.734,54 91.094,55 19.521,56 0.785,57 12.558,58 1.4,59 5.879,60 3,61 1.032,62 1.963,63 9,64 1.077,65 -1.181,66 8.425,67 -1.197,68 1.646,69 5.5}
{0 CHEMBL1760417,1 1,2 1,3 3.777,4 7.786,5 7.786,6 3.837,7 1,8 1,9 14.221,10 14.221,11 14.221,12 6.111,13 39.36,14 4.525,15 4.525,16 4.846,17 22.871,18 16.264,20 1,21 4.753,22 4.753,23 1,24 42.683,25 1,27 6.753,28 0.335,29 3.595,30 3.595,31 5.595,32 3.595,33 5.612,35 2.528,36 7.138,37 4.238,38 2.087,40 1.288,41 4.995,42 4.995,44 1.082,45 8.878,46 9.179,47 4.104,48 1.605,49 4.268,50 2.423,51 2.423,52 10.635,54 91.094,55 12.399,56 0.802,57 7.928,58 1.5,59 5.878,60 3,61 0.876,62 1.963,63 9,64 1.271,65 -1.051,66 5.437,67 -1.092,68 1.653,69 5.8}
{0 CHEMBL1760418,1 1,2 1,3 3.777,4 7.786,5 7.786,6 3.837,7 1,8 1,9 14.222,10 14.222,11 14.222,12 6.111,13 38.971,14 4.525,15 4.525,16 5.221,17 22.874,18 10.813,20 1,21 4.753,22 4.753,23 1,24 42.683,25 1,27 6.753,28 0.362,29 3.597,30 3.597,31 5.597,32 3.597,33 5.613,35 2.528,36 7.138,37 4.238,38 2.052,40 1.155,41 4.995,42 4.995,44 1.185,45 8.878,46 9.136,47 4.104,48 1.599,49 4.296,50 2.423,51 2.423,52 10.635,54 81.617,55 12.399,56 0.774,57 7.928,58 1.5,59 5.879,60 3,61 1.216,62 1.962,63 10,64 1.085,65 -1.138,66 5.437,67 -1.164,68 1.64,69 5.7}
{0 CHEMBL1760419,1 1,2 1,3 3.777,4 7.786,5 7.786,6 3.837,7 1,8 1,9 14.222,10 14.222,11 14.222,12 6.111,13 39.34,14 4.526,15 4.526,16 4.981,17 22.874,18 12.503,20 1,21 4.753,22 4.753,23 1,24 42.683,25 1,27 6.753,28 0.358,29 3.597,30 3.597,31 5.597,32 3.597,33 5.614,35 2.528,36 7.138,37 4.238,38 2.072,40 1.21,41 4.995,42 4.995,44 1.058,45 8.878,46 9.172,47 4.104,48 1.605,49 4.296,50 2.423,51 2.423,52 10.635,54 81.617,55 12.399,56 0.799,57 7.928,58 1.5,59 5.879,60 3,61 0.862,62 1.963,63 10,64 1.165,65 -1.088,66 5.437,67 -1.122,68 1.651,69 5.4}
{0 CHEMBL1760420,1 1,2 1,3 3.777,4 7.798,5 7.798,6 3.837,7 1,8 1,9 14.302,10 14.302,11 14.302,12 6.111,13 39.891,14 4.545,15 4.545,16 4.881,17 23.007,18 12.658,20 1,21 4.753,22 4.753,23 1,24 42.683,25 1,27 6.753,28 0.371,29 3.611,30 3.611,31 5.611,32 3.611,33 5.633,35 2.528,36 7.138,37 4.238,38 2.109,40 1.225,41 5.004,42 5.004,44 1.118,45 8.878,46 9.224,47 4.104,48 1.622,49 4.3,50 2.423,51 2.423,52 10.635,54 72.141,55 12.399,56 0.823,57 7.928,58 1.4,59 5.887,60 3,61 1.076,62 1.963,63 11,64 1.284,65 -1.055,66 5.437,67 -1.091,68 1.668,69 5}
{0 CHEMBL1760421,1 1,2 1,3 3.777,4 7.787,5 7.787,6 3.837,7 1,8 1,9 14.228,10 14.228,11 14.228,12 6.111,13 39.373,14 4.528,15 4.528,16 4.852,17 22.905,18 16.156,20 1,21 4.753,22 4.753,23 1,24 42.683,25 1,27 6.753,28 0.335,29 3.598,30 3.598,31 5.598,32 3.598,33 5.615,35 2.528,36 7.138,37 4.238,38 2.088,40 1.275,41 4.996,42 4.996,44 1.058,45 8.878,46 9.18,47 4.104,48 1.602,49 4.291,50 2.423,51 2.423,52 10.635,54 91.094,55 12.399,56 0.798,57 7.928,58 1.5,59 5.879,60 3,61 0.92,62 1.963,63 9,64 1.271,65 -1.052,66 5.437,67 -1.093,68 1.65,69 6.25}
{0 CHEMBL1760422,1 1,2 1,3 3.777,4 7.787,5 7.787,6 3.837,7 1,8 1,9 14.228,10 14.228,11 14.228,12 6.111,13 39.438,14 4.528,15 4.528,16 4.88,17 22.906,18 13.909,20 1,21 4.753,22 4.753,23 1,24 42.683,25 1,27 6.753,28 0.349,29 3.598,30 3.598,31 5.598,32 3.598,33 5.615,35 2.528,36 7.138,37 4.238,38 2.081,40 1.264,41 4.996,42 4.996,44 1.057,45 8.878,46 9.187,47 4.104,48 1.601,49 4.3,50 2.423,51 2.423,52 10.635,54 81.617,55 12.399,56 0.797,57 7.928,58 1.5,59 5.879,60 3,61 0.937,62 1.959,63 10,64 1.27,65 -1.062,66 5.437,67 -1.1,68 1.649,69 6.9}
{0 CHEMBL1760423,1 1,2 1,3 3.777,4 7.787,5 7.787,6 3.837,7 1,8 1,9 14.229,10 14.229,11 14.229,12 6.111,13 39.39,14 4.528,15 4.528,16 4.861,17 22.908,18 16.121,20 1,21 4.753,22 4.753,23 1,24 42.683,25 1,27 6.753,28 0.335,29 3.598,30 3.598,31 5.598,32 3.598,33 5.615,35 2.528,36 7.138,37 4.238,38 2.085,40 1.293,41 4.996,42 4.996,44 1.049,45 8.878,46 9.181,47 4.104,48 1.603,49 4.302,50 2.423,51 2.423,52 10.635,54 91.094,55 12.399,56 0.799,57 7.928,58 1.5,59 5.879,60 3,61 0.855,62 1.963,63 9,64 1.271,65 -1.054,66 5.437,67 -1.094,68 1.651,69 5.75}
{0 CHEMBL1760424,1 1,2 1,3 4.46,4 7.787,5 7.787,6 5.603,7 1,8 1,9 14.228,10 14.228,11 14.228,12 9.425,13 39.367,14 4.528,15 4.528,16 5.706,17 22.905,18 12.762,20 1,21 4.753,22 4.753,23 1,24 42.683,25 1,27 6.753,28 0.323,29 3.598,30 3.598,31 5.598,32 3.598,33 5.615,35 3.477,36 10.761,37 6.771,38 2.097,40 1.057,41 4.996,42 4.996,44 0.82,45 13.427,46 9.171,47 5.506,48 1.608,49 4.394,50 3.825,51 3.825,52 16.104,54 91.094,55 18.785,56 0.802,57 12.09,58 1.4,59 5.879,60 3,61 0.778,62 1.966,63 9,64 1.062,65 -1.109,66 8.128,67 -1.141,68 1.653,69 7.8}
{0 CHEMBL1760425,1 1,2 1,3 4.437,4 7.787,5 7.787,6 5.784,7 1,8 1,9 14.228,10 14.228,11 14.228,12 9.783,13 39.425,14 4.528,15 4.528,16 6.055,17 22.905,18 13.442,20 1,21 4.753,22 4.753,23 1,24 42.683,25 1,27 6.753,28 0.317,29 3.598,30 3.598,31 5.598,32 3.598,33 5.615,35 3.569,36 11.173,37 7.016,38 2.092,40 0.858,41 4.996,42 4.996,44 0.739,45 13.95,46 9.179,47 5.712,48 1.608,49 4.292,50 4.032,51 4.032,52 16.734,54 91.094,55 19.521,56 0.798,57 12.558,58 1.4,59 5.879,60 3,61 0.646,62 1.964,63 9,64 1.09,65 -1.11,66 8.425,67 -1.141,68 1.651,69 7.25}
{0 CHEMBL1760426,1 1,2 1,3 3.777,4 7.787,5 7.787,6 3.837,7 1,8 1,9 14.228,10 14.228,11 14.228,12 6.111,13 39.402,14 4.528,15 4.528,16 4.824,17 22.905,18 17.027,20 1,21 4.753,22 4.753,23 1,24 42.683,25 1,27 6.753,28 0.339,29 3.598,30 3.598,31 5.598,32 3.598,33 5.615,35 2.528,36 7.138,37 4.238,38 2.107,40 1.273,41 4.996,42 4.996,44 1.059,45 8.878,46 9.185,47 4.104,48 1.607,49 4.289,50 2.423,51 2.423,52 10.635,54 91.094,55 12.399,56 0.807,57 7.928,58 1.4,59 5.879,60 3,61 0.913,62 1.974,63 9,64 1.279,65 -1.043,66 5.437,67 -1.085,68 1.655,69 7.3}
{0 CHEMBL1760427,1 1,2 1,3 3.777,4 7.787,5 7.787,6 3.861,7 1,8 1,9 14.228,10 14.228,11 14.228,12 6.111,13 39.456,14 4.528,15 4.528,16 4.848,17 22.905,18 16.414,20 1,21 4.753,22 4.753,23 1,24 42.683,25 1,27 6.753,28 0.333,29 3.598,30 3.598,31 5.598,32 3.598,33 5.615,35 2.64,36 7.139,37 4.238,38 2.093,40 1.295,41 4.996,42 4.996,44 1.061,45 8.878,46 9.192,47 4.104,48 1.607,49 4.29,50 2.423,51 2.423,52 10.635,54 91.094,55 12.399,56 0.799,57 7.928,58 1.4,59 5.879,60 3,61 0.939,62 1.965,63 9,64 1.319,65 -1.051,66 5.441,67 -1.091,68 1.653,69 7.2}
{0 CHEMBL1760428,1 1,2 1,3 4.46,4 7.787,5 7.787,6 5.603,7 1,8 1,9 14.228,10 14.228,11 14.228,12 9.425,13 39.237,14 4.525,15 4.525,16 5.739,17 22.905,18 12.051,20 1,21 4.753,22 4.753,23 1,24 42.683,25 1,27 6.753,28 0.319,29 3.598,30 3.598,31 5.598,32 3.598,33 5.613,35 3.477,36 10.761,37 6.771,38 2.068,40 1.101,41 4.996,42 4.996,44 0.832,45 13.427,46 9.158,47 5.506,48 1.604,49 4.394,50 3.825,51 3.825,52 16.104,54 91.094,55 18.785,56 0.791,57 12.09,58 1.5,59 5.879,60 3,61 0.823,62 1.966,63 9,64 1.048,65 -1.127,66 8.128,67 -1.155,68 1.648,69 8.3}
{0 CHEMBL176075,1 1,2 1,3 3.309,4 7.594,5 7.594,6 3.882,7 1,8 1,9 13.687,10 13.687,11 13.687,12 6.111,13 11.706,14 4.443,15 4.443,16 2.579,17 20.699,18 11.845,19 1,20 1,21 4.154,22 4.154,23 1,24 42.683,25 1,27 6.154,28 0.252,29 3.487,30 3.487,31 5.487,32 3.487,33 5.551,34 1,35 2.719,36 7.139,37 4.238,38 2.129,40 1.253,41 4.574,42 4.574,43 1,44 0.954,45 8.878,46 9.599,47 4.104,48 1.526,49 4.183,50 2.423,51 2.423,52 10.635,54 56.857,55 12.399,56 0.825,57 7.928,59 5.574,60 1,61 0.97,62 1.917,63 6,64 1.209,65 0.622,66 5.444,67 -0.912,68 1.562,69 4.301}
{0 CHEMBL176222,1 1,2 1,3 3.474,4 7.594,5 7.594,6 3.882,7 1,8 1,9 13.687,10 13.687,11 13.687,12 6.111,13 11.732,14 4.466,15 4.466,16 2.578,17 20.699,18 11.935,19 1,20 1,21 4.154,22 4.154,23 1,24 42.683,25 1,27 6.154,28 0.237,29 3.487,30 3.487,31 5.487,32 3.487,33 5.574,34 1,35 2.719,36 7.139,37 4.238,38 2.102,40 1.172,41 4.574,42 4.574,43 1,44 1.018,45 8.878,46 9.62,47 4.104,48 1.526,49 4.276,50 2.423,51 2.423,52 10.635,54 56.857,55 12.399,56 0.825,57 7.928,59 5.574,60 1,61 0.886,62 1.902,63 6,64 1.179,65 0.625,66 5.444,67 -0.911,68 1.562,69 4.301}
{0 CHEMBL176421,1 1,2 1,3 3.358,4 6.884,5 6.884,6 3.792,7 1,8 1,9 11.523,10 11.523,11 11.523,12 6.05,13 11.017,14 4.249,15 4.249,16 2.535,17 19.067,18 21.326,20 1,21 3.646,22 3.646,23 1,24 42.683,25 1,26 1,27 5.646,28 0.28,29 3.26,30 3.26,31 5.26,32 3.26,33 5.331,35 2.599,36 7.043,37 4.213,38 2.071,40 0.75,41 4.692,42 4.692,44 1.066,45 8.766,46 9.044,47 4.03,48 1.611,49 4.137,50 2.397,51 2.397,52 10.503,53 1.784,54 104.239,55 12.247,56 0.72,57 7.838,58 1.6,59 5.629,60 1,61 0.815,62 1.992,63 6,64 1.086,66 5.359,67 -0.869,68 1.582,69 7.328}
{0 CHEMBL177089,1 1,2 1,3 3.358,4 6.884,5 6.884,6 3.685,7 1,8 1,9 11.523,10 11.523,11 11.523,12 5.889,13 10.763,14 4.249,15 4.249,16 2.461,17 19.067,18 21.746,19 1,20 1,21 3.6,22 3.6,23 1,24 42.683,25 1,26 1,27 5.6,28 0.272,29 3.26,30 3.26,31 5.26,32 3.26,33 5.33,34 1,35 2.527,36 6.85,37 4.112,38 2.071,40 0.926,41 4.692,42 4.692,43 1,44 1.08,45 8.526,46 8.846,47 3.925,48 1.713,49 4.074,50 2.341,51 2.341,52 10.216,53 1.806,54 104.239,55 11.912,56 0.89,57 7.625,58 1.5,59 5.626,60 1,61 0.665,62 1.992,63 6,64 1.1,66 5.21,67 -0.794,68 1.709,69 7.284}
{0 CHEMBL1777824,1 1,2 1,3 3.304,4 7.224,5 7.224,6 3.836,7 1,8 2,9 12.055,10 12.055,11 12.055,12 6.111,13 11.311,14 4.307,15 4.307,16 2.724,17 18.991,18 12.11,19 1,20 4,21 4.099,22 4.099,23 2,24 85.367,25 1,27 6.099,28 0.359,29 3.355,30 3.355,31 5.355,32 3.355,33 5.37,34 2,35 2.502,36 7.138,37 4.238,38 2.019,40 1.4,41 4.561,42 4.561,43 2,44 1.062,45 8.878,46 19.42,47 4.104,48 1.443,49 4.415,50 2.423,51 2.423,52 10.635,53 1.342,54 66.334,55 12.399,56 0.469,57 7.928,58 3.4,59 5.415,60 1,61 1.036,62 1.947,63 7,64 1.157,65 0.124,66 5.437,67 -1.058,68 1.386,69 6.046}
{0 CHEMBL177831,1 1,2 1,3 3.631,4 7.307,5 7.307,6 5.588,7 1,8 1,9 12.573,10 12.573,11 12.573,12 9.421,13 10.937,14 4.355,15 4.355,16 5.829,17 20.47,18 11.95,21 4.471,22 4.471,23 1,24 42.683,25 1,27 6.471,28 0.31,29 3.441,30 3.441,31 5.441,32 3.441,33 5.443,35 3.494,36 10.757,37 6.766,38 2.047,40 0.582,41 4.746,42 4.746,44 0.911,45 13.425,46 8.974,47 5.436,48 1.648,49 4.267,50 3.825,51 3.825,52 16.103,53 1.777,54 65.905,55 18.784,56 0.72,57 12.087,58 3.3,59 5.679,60 2,61 0.818,62 1.914,63 4,64 1.033,66 8.119,67 -0.904,68 1.566,69 6.614}
{0 CHEMBL1778732,1 1,2 1,3 3.202,4 7.224,5 7.224,6 3.836,7 1,8 1,9 12.055,10 12.055,11 12.055,12 6.111,13 11.258,14 4.307,15 4.307,16 2.71,17 18.988,18 14.997,19 1,20 1,21 4.099,22 4.099,23 1,24 42.683,25 1,27 6.099,28 0.322,29 3.355,30 3.355,31 5.355,32 3.355,33 5.37,34 1,35 2.502,36 7.138,37 4.238,38 2.018,40 1.605,41 4.56,42 4.56,43 2,44 0.979,45 8.878,46 9.221,47 4.104,48 1.439,49 4.396,50 2.423,51 2.423,52 10.635,53 1.408,54 75.81,55 12.399,56 0.469,57 7.928,58 3.8,59 5.408,60 1,61 0.731,62 1.881,63 6,64 1.141,66 5.437,67 -1.043,68 1.381,69 4.827}
{0 CHEMBL1778733,1 1,2 1,3 3.216,4 7.224,5 7.224,6 3.836,7 1,8 1,9 12.055,10 12.055,11 12.055,12 6.111,13 11.283,14 4.307,15 4.307,16 2.708,17 18.989,18 15.073,19 1,20 1,21 4.099,22 4.099,23 1,24 42.683,25 1,27 6.099,28 0.311,29 3.355,30 3.355,31 5.355,32 3.355,33 5.37,34 1,35 2.502,36 7.138,37 4.238,38 2.019,40 1.636,41 4.56,42 4.56,43 2,44 1.014,45 8.878,46 9.241,47 4.104,48 1.441,49 4.408,50 2.423,51 2.423,52 10.635,53 1.417,54 75.81,55 12.399,56 0.469,57 7.928,58 3.6,59 5.411,60 1,61 0.683,62 1.903,63 6,64 1.155,66 5.437,67 -1.042,68 1.386,69 5.174}
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{0 CHEMBL1778830,1 1,2 1,3 3.278,4 7.224,5 7.224,6 3.836,7 1,8 1,9 12.055,10 12.055,11 12.055,12 6.111,13 11.316,14 4.307,15 4.307,16 2.715,17 18.989,18 12.701,19 1,20 1,21 4.099,22 4.099,23 1,24 42.683,25 1,27 6.099,28 0.319,29 3.355,30 3.355,31 5.355,32 3.355,33 5.37,34 1,35 2.502,36 7.138,37 4.238,38 2.018,40 1.52,41 4.56,42 4.56,43 2,44 1.002,45 8.878,46 9.267,47 4.104,48 1.469,49 4.415,50 2.423,51 2.423,52 10.635,53 1.386,54 66.334,55 12.399,56 0.598,57 7.928,58 3.4,59 5.416,60 1,61 0.734,62 1.946,63 7,64 1.166,66 5.437,67 -1.049,68 1.444,69 5.268}
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{0 CHEMBL1778833,1 1,2 1,3 3.278,4 7.224,5 7.224,6 3.836,7 1,8 1,9 12.055,10 12.055,11 12.055,12 6.111,13 11.368,14 4.307,15 4.307,16 2.713,17 18.989,18 12.797,19 1,20 1,21 4.099,22 4.099,23 1,24 42.683,25 1,27 6.099,28 0.291,29 3.355,30 3.355,31 5.355,32 3.355,33 5.37,34 1,35 2.502,36 7.138,37 4.238,38 2.034,40 1.432,41 4.56,42 4.56,43 2,44 1.015,45 8.878,46 9.309,47 4.104,48 1.68,49 4.415,50 2.423,51 2.423,52 10.635,53 1.398,54 66.334,55 12.399,56 0.979,57 7.928,58 3,59 5.456,60 1,61 0.763,62 1.975,63 7,64 1.2,66 5.437,67 -1.046,68 1.701,69 5.699}
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{0 CHEMBL1778835,1 1,2 1,3 3.539,4 7.224,5 7.224,6 3.836,7 1,8 1,9 12.055,10 12.055,11 12.055,12 6.111,13 11.361,14 4.316,15 4.316,16 2.709,17 18.989,18 13.654,19 1,20 1,21 4.099,22 4.099,23 1,24 42.683,25 1,27 6.099,28 0.324,29 3.355,30 3.355,31 5.355,32 3.355,33 5.379,34 1,35 2.502,36 7.138,37 4.238,38 2.089,40 1.347,41 4.561,42 4.561,43 2,44 1.166,45 8.878,46 9.304,47 4.104,48 1.72,49 4.416,50 2.423,51 2.423,52 10.635,53 1.413,54 66.334,55 12.399,56 0.95,57 7.928,58 2.9,59 5.414,60 1,61 0.897,62 1.948,63 7,64 1.212,65 0.196,66 5.437,67 -1.043,68 1.737,69 5.921}
{0 CHEMBL1778836,1 1,2 1,3 3.289,4 7.224,5 7.224,6 3.836,7 1,8 1,9 12.055,10 12.055,11 12.055,12 6.111,13 11.359,14 4.307,15 4.307,16 2.707,17 18.989,18 13.747,19 1,20 1,21 4.099,22 4.099,23 1,24 42.683,25 1,27 6.099,28 0.324,29 3.355,30 3.355,31 5.355,32 3.355,33 5.37,34 1,35 2.502,36 7.138,37 4.238,38 2.072,40 1.483,41 4.56,42 4.56,43 2,44 1.032,45 8.878,46 9.303,47 4.104,48 1.733,49 4.414,50 2.423,51 2.423,52 10.635,53 1.421,54 66.334,55 12.399,56 0.979,57 7.928,58 2.9,59 5.414,60 1,61 0.718,62 1.948,63 7,64 1.212,65 0.205,66 5.437,67 -1.041,68 1.744,69 6.155}
{0 CHEMBL1778837,1 1,2 1,3 3.342,4 7.224,5 7.224,6 3.836,7 1,8 1,9 12.055,10 12.055,11 12.055,12 6.111,13 11.327,14 4.307,15 4.307,16 2.723,17 19.012,18 10.379,19 1,20 1,21 4.099,22 4.099,23 1,24 42.683,25 1,27 6.099,28 0.366,29 3.355,30 3.355,31 5.355,32 3.355,33 5.37,34 1,35 2.502,36 7.138,37 4.238,38 2.019,40 1.43,41 4.561,42 4.561,43 2,44 1.036,45 8.878,46 9.274,47 4.104,48 1.437,49 4.415,50 2.423,51 2.423,52 10.635,53 1.35,54 56.857,55 12.399,56 0.469,57 7.928,58 3.4,59 5.415,60 1,61 0.836,62 1.93,63 8,64 1.163,65 0.133,66 5.437,67 -1.057,68 1.381,69 7}
{0 CHEMBL1778838,1 1,2 1,3 3.421,4 7.224,5 7.224,6 3.836,7 1,8 1,9 12.055,10 12.055,11 12.055,12 6.111,13 11.329,14 4.307,15 4.307,16 2.725,17 19.027,18 10.438,19 1,20 1,21 4.099,22 4.099,23 1,24 42.683,25 1,27 6.099,28 0.366,29 3.355,30 3.355,31 5.355,32 3.355,33 5.37,34 1,35 2.502,36 7.138,37 4.238,38 2.019,40 1.404,41 4.564,42 4.564,43 2,44 1.033,45 8.878,46 9.275,47 4.104,48 1.443,49 4.415,50 2.423,51 2.423,52 10.635,53 1.339,54 56.857,55 12.399,56 0.469,57 7.928,58 3.4,59 5.418,60 1,61 1.027,62 1.931,63 8,64 1.163,65 0.115,66 5.437,67 -1.058,68 1.386,69 5}
{0 CHEMBL1778839,1 1,2 1,3 4.099,4 7.224,5 7.224,6 5.603,7 1,8 1,9 12.055,10 12.055,11 12.055,12 9.425,13 11.325,14 4.307,15 4.307,16 5.63,17 18.989,18 10.134,19 1,20 1,21 4.46,22 4.46,23 1,24 42.683,25 1,27 6.46,28 0.327,29 3.355,30 3.355,31 5.355,32 3.355,33 5.433,34 1,35 3.467,36 10.761,37 6.771,38 2.017,40 1.087,41 4.561,42 4.561,43 2,44 0.782,45 13.427,46 9.268,47 5.506,48 1.474,49 4.416,50 3.825,51 3.825,52 16.104,53 1.288,54 66.334,55 18.785,56 0.513,57 12.09,58 3.3,59 5.414,60 1,61 0.541,62 1.943,63 7,64 0.922,65 0.144,66 8.128,67 -1.081,68 1.404,69 7.678}
{0 CHEMBL1778840,1 1,2 1,3 4.101,4 7.229,5 7.229,6 5.603,7 1,8 1,9 12.085,10 12.085,11 12.085,12 9.425,13 11.436,14 4.318,15 4.318,16 5.631,17 19.1,18 8.582,19 1,20 1,21 4.46,22 4.46,23 1,24 42.683,25 1,27 6.46,28 0.346,29 3.365,30 3.365,31 5.365,32 3.365,33 5.443,34 1,35 3.467,36 10.761,37 6.771,38 2.037,40 1.075,41 4.604,42 4.604,43 2,44 0.683,45 13.427,46 9.359,47 5.506,48 1.478,49 4.417,50 3.825,51 3.825,52 16.104,53 1.312,54 56.857,55 18.785,56 0.633,57 12.09,58 3.1,59 5.458,60 2,61 0.516,62 1.946,63 8,64 0.936,65 0.142,66 8.128,67 -1.077,68 1.477,69 7.959}
{0 CHEMBL1779473,1 1,2 1,3 3.729,4 6.455,5 6.455,6 5.769,7 1,8 1,9 10.196,10 10.196,11 10.196,12 9.778,13 23.582,14 3.929,15 3.929,16 6.053,17 16.495,18 9.807,20 1,21 4.437,22 4.437,23 1,24 60.694,25 1,26 1,27 6.437,28 0.298,29 3.14,30 3.14,31 5.14,32 3.14,33 4.979,35 3.605,36 11.169,37 7.008,38 2.069,40 0.841,41 4.283,42 4.283,44 0.81,45 13.948,46 9.236,47 5.616,48 1.502,49 4.089,50 4.032,51 4.032,52 16.733,54 66.334,55 19.521,56 0.548,57 12.556,58 1.9,59 5.168,60 2,61 0.707,62 1.898,63 5,64 1.023,65 -0.515,66 8.415,67 -1.362,68 1.445,69 6.959}
{0 CHEMBL1779474,1 1,2 1,3 3.567,4 6.186,5 6.186,6 3.753,7 1,8 1,9 9.221,10 9.221,11 9.221,12 5.889,13 24.101,14 3.924,15 3.924,16 2.476,17 15.525,18 21.893,20 3,21 3.729,22 3.729,23 1,24 60.694,25 1,26 1,27 5.729,28 0.299,29 2.941,30 2.941,31 4.941,32 2.941,33 4.977,34 1,35 2.728,36 6.854,37 4.112,38 2.069,40 1.392,41 4.284,42 4.284,44 1.154,45 8.527,46 9.33,47 3.925,48 1.532,49 3.926,50 2.341,51 2.341,52 10.216,54 113.715,55 11.912,56 0.613,57 7.625,58 1.7,59 5.17,60 2,61 1.45,62 1.96,63 6,64 1.141,65 -0.446,66 5.228,67 -1.052,68 1.552,69 5.319}
{0 CHEMBL1779475,1 1,2 1,3 3.608,4 6.459,5 6.459,6 3.753,7 1,8 1,9 9.989,10 9.989,11 9.989,12 5.889,13 24.302,14 3.99,15 3.99,16 2.479,17 16.709,18 21.881,20 3,21 3.729,22 3.729,23 1,24 60.694,25 1,26 1,27 5.729,28 0.299,29 3.01,30 3.01,31 5.01,32 3.01,33 5.047,35 2.728,36 6.854,37 4.112,38 2.069,40 1.336,41 4.353,42 4.353,44 1.139,45 8.527,46 9.345,47 3.925,48 1.532,49 3.899,50 2.341,51 2.341,52 10.216,54 113.715,55 11.912,56 0.613,57 7.625,58 1.7,59 5.246,60 2,61 1.328,62 1.96,63 6,64 1.141,65 -0.451,66 5.228,67 -1.089,68 1.552,69 5}
{0 CHEMBL1779476,1 1,2 1,3 3.565,4 6.23,5 6.23,6 3.728,7 1,8 1,9 9.354,10 9.354,11 9.354,12 5.889,13 24.133,14 3.957,15 3.957,16 2.466,17 15.741,18 23.018,20 3,21 3.729,22 3.729,23 1,24 60.694,25 1,26 1,27 5.729,28 0.305,29 2.96,30 2.96,31 4.96,32 2.96,33 4.97,35 2.626,36 6.853,37 4.112,38 2.092,40 1.335,41 4.32,42 4.32,44 1.123,45 8.527,46 9.33,47 3.925,48 1.532,49 3.981,50 2.341,51 2.341,52 10.216,54 113.715,55 11.912,56 0.613,57 7.625,58 1.7,59 5.204,60 2,61 1.465,62 1.912,63 6,64 1.09,65 -0.434,66 5.223,67 -0.978,68 1.552,69 5.387}
{0 CHEMBL1779477,1 1,2 1,3 3.595,4 6.657,5 6.657,6 3.728,7 1,8 1,9 10.676,10 10.676,11 10.676,12 5.889,13 24.362,14 4.097,15 4.097,16 2.467,17 17.753,18 22.902,20 2,21 3.729,22 3.729,23 1,24 60.694,25 1,26 1,27 5.729,28 0.305,29 3.095,30 3.095,31 5.095,32 3.095,33 5.111,35 2.626,36 6.853,37 4.112,38 2.092,40 1.303,41 4.448,42 4.448,44 1.057,45 8.527,46 9.345,47 3.925,48 1.532,49 3.899,50 2.341,51 2.341,52 10.216,54 113.715,55 11.912,56 0.613,57 7.625,58 1.7,59 5.337,60 2,61 1.256,62 1.91,63 6,64 1.09,65 -0.436,66 5.223,67 -0.977,68 1.552,69 5}
{0 CHEMBL1779478,1 1,2 1,3 3.563,4 6.185,5 6.185,6 3.809,7 1,8 1,9 9.218,10 9.218,11 9.218,12 5.889,13 23.998,14 3.921,15 3.921,16 2.473,17 15.516,18 22.441,20 1,21 3.729,22 3.729,23 1,24 60.694,25 1,26 1,27 5.729,28 0.289,29 2.938,30 2.938,31 4.938,32 2.938,33 4.973,34 2,35 2.802,36 6.86,37 4.112,38 2.069,40 1.359,41 4.281,42 4.281,44 1.146,45 8.528,46 9.327,47 3.925,48 1.532,49 3.909,50 2.341,51 2.341,52 10.216,54 113.715,55 11.912,56 0.619,57 7.625,58 1.6,59 5.168,60 2,61 1.443,62 1.982,63 6,64 1.153,65 -0.441,66 5.248,67 -1.02,68 1.552,69 5.854}
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{0 CHEMBL1779481,1 1,2 1,3 3.563,4 6.185,5 6.185,6 3.753,7 1,8 1,9 9.218,10 9.218,11 9.218,12 5.889,13 23.997,14 3.921,15 3.921,16 2.48,17 15.516,18 19.38,20 1,21 3.729,22 3.729,23 1,24 60.694,25 1,26 1,27 5.729,28 0.317,29 2.938,30 2.938,31 4.938,32 2.938,33 4.982,34 2,35 2.728,36 6.854,37 4.112,38 2.069,40 1.382,41 4.282,42 4.282,44 1.098,45 8.527,46 9.324,47 3.925,48 1.532,49 4.025,50 2.341,51 2.341,52 10.216,54 104.239,55 11.912,56 0.613,57 7.625,58 1.7,59 5.166,60 2,61 1.378,62 1.93,63 7,64 1.138,65 -0.45,66 5.228,67 -1.052,68 1.552,69 6.237}
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{0 CHEMBL178236,1 1,2 1,3 3.787,4 7.138,5 7.138,6 5.794,7 1,8 1,9 12.414,10 12.414,11 12.414,12 9.783,13 24.962,14 4.365,15 4.365,16 6.129,17 20.087,18 17.181,20 2,21 4.437,22 4.437,23 1,24 42.683,25 1,27 6.437,28 0.36,29 3.397,30 3.397,31 5.397,32 3.397,33 5.43,34 1,35 3.676,36 11.173,37 7.016,38 2.056,40 0.728,41 4.806,42 4.806,43 2,44 0.883,45 13.95,46 9.32,47 5.712,48 1.565,49 4.149,50 4.032,51 4.032,52 16.734,53 0.835,54 104.239,55 19.521,56 0.614,57 12.558,58 1.5,59 5.645,60 2,61 1.104,62 1.957,63 7,64 1.002,65 -1.02,66 8.426,67 -1.448,68 1.538,69 4.824}
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{0 CHEMBL178296,1 1,2 1,3 2.947,4 5.968,5 5.968,6 3.909,7 1,8 1,9 8.443,10 8.443,11 8.443,12 6.111,13 11.095,14 3.78,15 3.78,16 2.608,17 14.265,18 17.447,21 3.788,22 3.788,23 1,24 42.683,25 1,27 5.788,28 0.221,29 2.808,30 2.808,31 4.808,32 2.808,33 4.825,35 2.699,36 7.143,37 4.238,38 2.05,40 1.025,41 4.078,42 4.078,43 1,44 0.942,45 8.879,46 9.1,47 4.104,48 1.251,49 3.851,50 2.423,51 2.423,52 10.635,54 104.239,55 12.399,56 0.312,57 7.928,59 4.926,60 2,61 0.28,62 1.819,63 3,64 1.145,65 -0.81,66 5.457,67 -0.941,68 1.223,69 4.745}
{0 CHEMBL1783033,1 1,2 1,3 3.77,4 6.734,5 6.734,6 5.39,7 2,8 2,9 10.876,10 10.876,11 10.876,12 6.05,13 10.8,14 4.135,15 4.135,16 2.551,17 18.267,18 8.842,19 1,20 2,21 4.441,22 4.441,23 3,24 128.172,25 1,26 1,27 6.441,28 0.298,29 3.16,30 3.16,31 5.16,32 3.16,33 5.259,34 2,35 3.593,36 9.466,37 4.213,38 2.044,40 0.889,41 4.519,42 4.519,44 0.999,45 11.583,46 28.699,47 5.9,48 1.58,49 3.943,50 2.95,51 2.95,52 13.72,54 47.381,55 15.867,56 0.694,57 7.838,58 1.7,59 5.442,60 1,61 0.627,62 1.882,63 7,64 1.049,66 7.387,67 -0.45,68 1.552,69 8}
{0 CHEMBL1783034,3 3.784,4 6.5,5 6.5,6 6.722,9 10.163,10 10.163,11 10.163,12 9.91,13 23.188,14 4.02,15 4.02,16 1.988,17 16.961,18 24.334,21 4.875,22 4.875,24 18.011,27 6.875,28 0.268,29 3.069,30 3.069,31 5.069,32 3.069,33 5.13,35 4.03,36 12.677,37 6.639,38 2.018,39 1,40 0.714,41 4.298,42 4.298,43 1,44 0.926,45 15.686,47 8.891,48 1.36,49 3.899,50 4.628,51 4.628,52 18.702,54 123.191,55 21.724,56 0.45,57 13.141,58 1.9,59 5.222,61 1.033,62 1.949,63 5,64 1.068,65 -0.52,66 9.679,67 -0.612,68 1.37,69 6.721}
{0 CHEMBL178309,1 1,2 1,3 3.298,4 7.422,5 7.422,6 3.882,7 1,8 1,9 12.922,10 12.922,11 12.922,12 6.111,13 11.428,14 4.393,15 4.393,16 2.619,17 19.932,18 11.444,19 1,20 1,21 4.131,22 4.131,23 1,24 42.683,25 1,27 6.131,28 0.288,29 3.438,30 3.438,31 5.438,32 3.438,33 5.498,34 1,35 2.719,36 7.139,37 4.238,38 2.064,40 1.362,41 4.537,42 4.537,43 1,44 0.862,45 8.878,46 9.369,47 4.104,48 1.432,49 4.172,50 2.423,51 2.423,52 10.635,54 56.857,55 12.399,56 0.679,57 7.928,59 5.481,60 1,61 0.764,62 1.868,63 6,64 1.223,65 0.42,66 5.444,67 -0.952,68 1.454,69 4.824}
{0 CHEMBL178513,1 1,2 1,3 3.289,4 7.422,5 7.422,6 3.905,7 1,8 1,9 12.922,10 12.922,11 12.922,12 6.111,13 11.45,14 4.393,15 4.393,16 2.622,17 19.932,18 11.046,19 1,20 1,21 4.131,22 4.131,23 1,24 42.683,25 1,27 6.131,28 0.272,29 3.438,30 3.438,31 5.438,32 3.438,33 5.501,34 1,35 2.812,36 7.14,37 4.238,38 2.064,40 1.473,41 4.537,42 4.537,43 1,44 0.911,45 8.878,46 9.386,47 4.104,48 1.432,49 4.172,50 2.423,51 2.423,52 10.635,54 56.857,55 12.399,56 0.825,57 7.928,59 5.481,60 1,61 0.97,62 1.849,63 6,64 1.228,65 0.693,66 5.448,67 -0.956,68 1.454,69 4.824}
{0 CHEMBL178630,1 1,2 1,3 3.295,4 7.422,5 7.422,6 3.905,7 1,8 1,9 12.922,10 12.922,11 12.922,12 6.111,13 11.435,14 4.393,15 4.393,16 2.626,17 19.932,18 10.906,19 1,20 1,21 4.131,22 4.131,23 1,24 42.683,25 1,27 6.131,28 0.281,29 3.438,30 3.438,31 5.438,32 3.438,33 5.499,34 1,35 2.812,36 7.14,37 4.238,38 2.064,40 1.382,41 4.537,42 4.537,43 1,44 0.887,45 8.878,46 9.373,47 4.104,48 1.433,49 4.172,50 2.423,51 2.423,52 10.635,54 56.857,55 12.399,56 0.679,57 7.928,59 5.481,60 1,61 0.984,62 1.874,63 6,64 1.279,65 0.08,66 5.448,67 -0.959,68 1.455,69 5.131}
{0 CHEMBL178659,1 1,2 1,3 3.323,4 7.594,5 7.594,6 3.882,7 1,8 1,9 13.687,10 13.687,11 13.687,12 6.111,13 11.73,14 4.443,15 4.443,16 2.58,17 20.699,18 11.867,19 1,20 1,21 4.154,22 4.154,23 1,24 42.683,25 1,27 6.154,28 0.237,29 3.487,30 3.487,31 5.487,32 3.487,33 5.551,34 1,35 2.719,36 7.139,37 4.238,38 2.15,40 1.096,41 4.574,42 4.574,43 1,44 1.058,45 8.878,46 9.618,47 4.104,48 1.555,49 4.185,50 2.423,51 2.423,52 10.635,54 56.857,55 12.399,56 0.86,57 7.928,59 5.574,60 1,61 0.844,62 1.943,63 6,64 1.229,65 0.585,66 5.444,67 -0.913,68 1.593,69 4.301}
{0 CHEMBL178909,1 1,2 1,3 3.474,4 7.422,5 7.422,6 3.882,7 1,8 1,9 12.952,10 12.952,11 12.952,12 6.111,13 11.501,14 4.466,15 4.466,16 2.612,17 19.962,18 11.883,19 1,20 1,21 4.131,22 4.131,23 1,24 42.683,25 1,27 6.131,28 0.244,29 3.466,30 3.466,31 5.466,32 3.466,33 5.572,34 1,35 2.719,36 7.139,37 4.238,38 2.102,40 1.181,41 4.537,42 4.537,43 1,44 0.973,45 8.878,46 9.429,47 4.104,48 1.434,49 4.276,50 2.423,51 2.423,52 10.635,54 56.857,55 12.399,56 0.825,57 7.928,59 5.537,60 1,61 0.846,62 1.898,63 6,64 1.168,65 0.625,66 5.444,67 -0.946,68 1.455,69 4.301}
{0 CHEMBL179180,1 1,2 1,3 4.154,4 7.594,5 7.594,6 4.964,7 1,8 1,9 13.687,10 13.687,11 13.687,12 7.903,13 11.646,14 4.443,15 4.443,16 5.679,17 20.699,18 9.422,19 1,20 1,21 4.271,22 4.271,23 1,24 42.683,25 1,27 6.271,28 0.232,29 3.487,30 3.487,31 5.487,32 3.487,33 5.552,34 1,35 3.412,36 9.016,37 5.72,38 2.07,40 0.726,41 4.574,42 4.574,43 1,44 0.898,45 11.162,46 9.54,47 4.7,48 1.525,49 4.183,50 3.02,51 3.02,52 13.333,54 56.857,55 15.519,56 0.748,57 10.068,59 5.519,60 1,61 0.461,62 1.875,63 6,64 1.026,66 6.922,67 -0.974,68 1.561,69 4.301}
{0 CHEMBL179330,1 1,2 1,3 3.774,4 7.138,5 7.138,6 5.794,7 1,8 1,9 12.414,10 12.414,11 12.414,12 9.783,13 24.697,14 4.365,15 4.365,16 6.128,17 20.087,18 17.093,20 2,21 4.437,22 4.437,23 1,24 42.683,25 1,27 6.437,28 0.371,29 3.397,30 3.397,31 5.397,32 3.397,33 5.43,34 1,35 3.676,36 11.173,37 7.016,38 2.056,40 0.745,41 4.806,42 4.806,43 2,44 0.89,45 13.95,46 9.129,47 5.712,48 1.564,49 4.149,50 4.032,51 4.032,52 16.734,53 0.83,54 104.239,55 19.521,56 0.611,57 12.558,58 1.6,59 5.637,60 2,61 1.119,62 1.955,63 7,64 0.989,65 -1.071,66 8.426,67 -1.484,68 1.538,69 4.824}
{0 CHEMBL179452,1 1,2 1,3 3.309,4 7.422,5 7.422,6 3.882,7 1,8 1,9 12.922,10 12.922,11 12.922,12 6.111,13 11.475,14 4.393,15 4.393,16 2.614,17 19.932,18 11.793,19 1,20 1,21 4.131,22 4.131,23 1,24 42.683,25 1,27 6.131,28 0.26,29 3.438,30 3.438,31 5.438,32 3.438,33 5.499,34 1,35 2.719,36 7.139,37 4.238,38 2.129,40 1.268,41 4.537,42 4.537,43 1,44 0.901,45 8.878,46 9.408,47 4.104,48 1.436,49 4.172,50 2.423,51 2.423,52 10.635,54 56.857,55 12.399,56 0.825,57 7.928,59 5.537,60 1,61 0.935,62 1.915,63 6,64 1.199,65 0.623,66 5.444,67 -0.947,68 1.456,69 4.824}
{0 CHEMBL179622,1 1,2 1,3 3.279,4 7.594,5 7.594,6 3.882,7 1,8 1,9 13.687,10 13.687,11 13.687,12 6.111,13 11.673,14 4.443,15 4.443,16 2.583,17 20.699,18 11.567,19 1,20 1,21 4.154,22 4.154,23 1,24 42.683,25 1,27 6.154,28 0.269,29 3.487,30 3.487,31 5.487,32 3.487,33 5.551,34 1,35 2.719,36 7.139,37 4.238,38 2.07,40 1.269,41 4.574,42 4.574,43 1,44 0.982,45 8.878,46 9.571,47 4.104,48 1.526,49 4.183,50 2.423,51 2.423,52 10.635,54 56.857,55 12.399,56 0.819,57 7.928,59 5.519,60 1,61 0.943,62 1.894,63 6,64 1.245,65 0.58,66 5.444,67 -0.917,68 1.562,69 4.301}
{0 CHEMBL179657,1 1,2 1,3 3.311,4 7.594,5 7.594,6 3.905,7 1,8 1,9 13.687,10 13.687,11 13.687,12 6.111,13 11.701,14 4.443,15 4.443,16 2.585,17 20.699,18 11.668,19 1,20 1,21 4.154,22 4.154,23 1,24 42.683,25 1,27 6.154,28 0.255,29 3.487,30 3.487,31 5.487,32 3.487,33 5.551,34 1,35 2.812,36 7.14,37 4.238,38 2.075,40 1.262,41 4.574,42 4.574,43 1,44 0.943,45 8.878,46 9.594,47 4.104,48 1.525,49 4.183,50 2.423,51 2.423,52 10.635,54 56.857,55 12.399,56 0.825,57 7.928,59 5.574,60 1,61 0.869,62 1.891,63 6,64 1.248,65 0.497,66 5.448,67 -0.918,68 1.562,69 4.301}
{0 CHEMBL180019,1 1,2 1,3 3.279,4 7.422,5 7.422,6 3.882,7 1,8 1,9 12.922,10 12.922,11 12.922,12 6.111,13 11.442,14 4.393,15 4.393,16 2.618,17 19.932,18 11.515,19 1,20 1,21 4.131,22 4.131,23 1,24 42.683,25 1,27 6.131,28 0.278,29 3.438,30 3.438,31 5.438,32 3.438,33 5.498,34 1,35 2.719,36 7.139,37 4.238,38 2.064,40 1.288,41 4.537,42 4.537,43 1,44 0.926,45 8.878,46 9.38,47 4.104,48 1.434,49 4.172,50 2.423,51 2.423,52 10.635,54 56.857,55 12.399,56 0.679,57 7.928,59 5.481,60 1,61 0.91,62 1.887,63 6,64 1.234,65 0.58,66 5.444,67 -0.951,68 1.455,69 5.119}
{0 CHEMBL180123,1 1,2 1,3 3.296,4 7.422,5 7.422,6 3.882,7 1,8 1,9 12.922,10 12.922,11 12.922,12 6.111,13 11.374,14 4.393,15 4.393,16 2.643,17 19.932,18 9.414,19 1,20 1,21 4.131,22 4.131,23 1,24 42.683,25 1,27 6.131,28 0.276,29 3.438,30 3.438,31 5.438,32 3.438,33 5.498,34 1,35 2.719,36 7.139,37 4.238,38 2.064,40 1.163,41 4.537,42 4.537,43 1,44 0.868,45 8.878,46 9.321,47 4.104,48 1.268,49 4.172,50 2.423,51 2.423,52 10.635,54 56.857,55 12.399,56 0.448,57 7.928,59 5.481,60 1,61 0.944,62 1.845,63 6,64 1.055,66 5.444,67 -0.976,68 1.248,69 4.301}
{0 CHEMBL180504,1 1,2 1,3 3.22,4 6.18,5 6.18,6 3.926,7 1,8 1,9 9.202,10 9.202,11 9.202,12 6.111,13 11.154,14 3.886,15 3.886,16 2.671,17 15.505,18 22.405,19 1,21 3.785,22 3.785,23 1,24 42.683,25 1,27 5.785,28 0.261,29 2.928,30 2.928,31 4.928,32 2.928,33 4.982,35 2.897,36 7.14,37 4.238,38 2.021,40 1.055,41 4.275,42 4.275,43 3,44 0.926,45 8.879,46 9.139,47 4.104,48 1.512,49 3.898,50 2.423,51 2.423,52 10.635,54 113.715,55 12.399,56 0.576,57 7.928,59 5.194,60 1,61 0.698,62 1.95,63 6,64 1.247,65 -0.905,66 5.451,67 -1.004,68 1.531,69 5.125}
{0 CHEMBL180660,1 1,2 1,3 3.387,4 6.754,5 6.754,6 3.64,7 3,8 1,9 11.074,10 11.074,11 11.074,12 5.889,13 10.584,14 4.218,15 4.218,16 2.399,17 17.981,20 5,21 3.596,22 3.596,23 3,24 128.05,25 1,26 1,27 5.5,28 0.284,29 3.226,30 3.226,31 5.226,32 3.226,33 5.218,34 3,35 2.35,36 6.849,37 4.112,38 2.041,40 0.784,41 4.271,42 4.271,44 1.04,45 8.526,46 29.143,47 3.925,48 1.649,49 3.544,50 2.341,51 2.341,52 10.216,54 113.795,55 11.912,56 0.98,57 7.625,59 5.271,60 1,61 1.266,62 1.936,64 1.262,65 0.791,66 5.203,67 0.659,68 1.661,69 5.721}
{0 CHEMBL180912,1 1,2 1,3 3.797,4 6.398,5 6.398,6 4.964,7 1,8 1,9 9.963,10 9.963,11 9.963,12 7.903,13 11.093,14 3.956,15 3.956,16 5.677,17 16.381,18 9.357,19 1,20 1,21 4.271,22 4.271,23 1,24 42.683,25 1,27 6.271,28 0.284,29 3.106,30 3.106,31 5.106,32 3.106,33 5.06,34 1,35 3.412,36 9.016,37 5.72,38 2.055,40 0.6,41 4.305,42 4.305,43 1,44 0.902,45 11.162,46 9.09,47 4.7,48 1.41,49 4.094,50 3.02,51 3.02,52 13.333,54 56.857,55 15.519,56 0.491,57 10.068,59 5.249,60 1,61 0.467,62 1.84,63 6,64 0.998,65 -0.855,66 6.922,67 -0.993,68 1.38,69 5.161}
{0 CHEMBL180928,1 1,2 1,3 4.131,4 7.422,5 7.422,6 4.964,7 1,8 1,9 12.922,10 12.922,11 12.922,12 7.903,13 11.415,14 4.393,15 4.393,16 5.679,17 19.932,18 9.37,19 1,20 1,21 4.271,22 4.271,23 1,24 42.683,25 1,27 6.271,28 0.24,29 3.438,30 3.438,31 5.438,32 3.438,33 5.5,34 1,35 3.412,36 9.016,37 5.72,38 2.064,40 0.746,41 4.537,42 4.537,43 1,44 0.876,45 11.162,46 9.349,47 4.7,48 1.433,49 4.172,50 3.02,51 3.02,52 13.333,54 56.857,55 15.519,56 0.679,57 10.068,59 5.481,60 1,61 0.455,62 1.848,63 6,64 1.013,66 6.922,67 -1.009,68 1.454,69 4.301}
{0 CHEMBL181141,1 1,2 1,3 3.762,4 7.224,5 7.224,6 3.906,7 1,8 1,9 12.413,10 12.413,11 12.413,12 6.111,13 24.976,14 4.364,15 4.364,16 2.713,17 20.086,18 19.805,20 2,21 4.099,22 4.099,23 1,24 42.683,25 1,27 6.099,28 0.352,29 3.395,30 3.395,31 5.395,32 3.395,33 5.418,34 1,35 2.805,36 7.14,37 4.238,38 2.058,40 1.383,41 4.805,42 4.805,43 2,44 1.105,45 8.879,46 9.396,47 4.104,48 1.539,49 4.189,50 2.423,51 2.423,52 10.635,53 1.68,54 104.239,55 12.399,56 0.621,57 7.928,58 1.6,59 5.64,60 2,61 0.892,62 1.954,63 7,64 1.162,66 5.449,67 -1.199,68 1.548,69 5.375}
{0 CHEMBL1813188,1 1,2 1,3 3.6,4 7.076,5 7.076,6 3.79,7 1,8 1,9 12.122,10 12.122,11 12.122,12 5.9,13 35.834,14 4.338,15 4.338,16 2.455,17 19.616,18 22.401,20 1,21 3.982,22 3.982,23 1,24 42.683,25 1,26 1,27 5.982,28 0.344,29 3.355,30 3.355,31 5.355,32 3.355,33 5.362,34 1,35 2.665,36 6.865,37 4.137,38 2.102,40 0.848,41 4.629,42 4.629,44 1.067,45 8.531,46 8.763,47 3.925,48 1.431,49 4.022,50 2.341,51 2.341,52 10.217,54 113.715,55 11.912,56 0.386,57 7.63,58 2,59 5.489,60 2,61 0.686,62 1.986,63 6,64 1.04,66 5.255,67 -1.36,68 1.41,69 4.886}
{0 CHEMBL1813191,1 1,2 1,3 3.627,4 7.076,5 7.076,6 3.969,7 1,8 1,9 12.122,10 12.122,11 12.122,12 6.12,13 35.689,14 4.338,15 4.338,16 2.677,17 19.616,18 21.584,20 1,21 3.982,22 3.982,23 1,24 42.683,25 1,27 5.982,28 0.348,29 3.355,30 3.355,31 5.355,32 3.355,33 5.372,34 1,35 2.834,36 7.151,37 4.26,38 2.083,40 0.702,41 4.629,42 4.629,44 1.073,45 8.882,46 8.638,47 4.104,48 1.425,49 4.022,50 2.423,51 2.423,52 10.636,54 113.715,55 12.399,56 0.378,57 7.931,58 2,59 5.489,60 2,61 0.708,62 1.974,63 6,64 1.078,66 5.48,67 -1.606,68 1.408,69 4.208}
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{0 CHEMBL1813195,1 1,2 1,3 3.729,4 7.078,5 7.078,6 3.79,7 1,8 2,9 12.131,10 12.131,11 12.131,12 5.9,13 36.543,14 4.341,15 4.341,16 2.443,17 19.651,18 19.414,20 5,21 3.982,22 3.982,23 2,24 85.367,25 1,26 1,27 5.982,28 0.379,29 3.359,30 3.359,31 5.359,32 3.359,33 5.367,34 2,35 2.665,36 6.865,37 4.137,38 2.102,40 1.071,41 4.634,42 4.634,44 1.044,45 8.531,46 19.762,47 3.925,48 1.488,49 4.073,50 2.341,51 2.341,52 10.217,54 104.239,55 11.912,56 0.654,57 7.63,58 1.7,59 5.496,60 2,61 0.853,62 1.986,63 7,64 1.058,65 -0.381,66 5.255,67 -1.561,68 1.48,69 4.602}
{0 CHEMBL1813196,1 1,2 1,3 3.729,4 7.078,5 7.078,6 3.814,7 1,8 1,9 12.133,10 12.133,11 12.133,12 5.9,13 36.842,14 4.342,15 4.342,16 2.427,17 19.653,18 20.268,20 1,21 3.982,22 3.982,23 1,24 42.683,25 1,26 1,27 5.982,28 0.367,29 3.359,30 3.359,31 5.359,32 3.359,33 5.371,34 1,35 2.763,36 6.866,37 4.137,38 2.102,40 1.057,41 4.635,42 4.635,44 1.01,45 8.531,46 9.26,47 3.925,48 1.54,49 4.074,50 2.341,51 2.341,52 10.217,54 104.239,55 11.912,56 0.654,57 7.63,58 1.6,59 5.497,60 2,61 1.061,62 1.986,63 7,64 1.133,65 -0.365,66 5.259,67 -1.421,68 1.55,69 4.959}
{0 CHEMBL1813197,1 1,2 1,3 3.729,4 7.078,5 7.078,6 3.814,7 1,8 1,9 12.133,10 12.133,11 12.133,12 5.9,13 37.006,14 4.342,15 4.342,16 2.426,17 19.654,18 20.384,20 1,21 3.982,22 3.982,23 1,24 42.683,25 1,26 1,27 5.982,28 0.356,29 3.359,30 3.359,31 5.359,32 3.359,33 5.377,34 1,35 2.763,36 6.866,37 4.137,38 2.102,40 1.077,41 4.635,42 4.635,44 0.977,45 8.531,46 9.281,47 3.925,48 1.619,49 4.074,50 2.341,51 2.341,52 10.217,54 104.239,55 11.912,56 0.87,57 7.63,58 1.6,59 5.498,60 2,61 0.928,62 1.986,63 7,64 1.145,65 -0.365,66 5.259,67 -1.409,68 1.622,69 5.319}
{0 CHEMBL1813198,1 1,2 1,3 3.729,4 7.078,5 7.078,6 3.814,7 1,8 1,9 12.133,10 12.133,11 12.133,12 5.9,13 37.14,14 4.342,15 4.342,16 2.425,17 19.654,18 20.468,20 1,21 3.982,22 3.982,23 1,24 42.683,25 1,26 1,27 5.982,28 0.346,29 3.359,30 3.359,31 5.359,32 3.359,33 5.385,34 1,35 2.763,36 6.866,37 4.137,38 2.103,40 1.088,41 4.635,42 4.635,44 1.047,45 8.531,46 9.298,47 3.925,48 1.623,49 4.074,50 2.341,51 2.341,52 10.217,54 104.239,55 11.912,56 0.874,57 7.63,58 1.5,59 5.499,60 2,61 0.888,62 1.986,63 7,64 1.156,65 -0.366,66 5.259,67 -1.401,68 1.622,69 5.538}
{0 CHEMBL1813199,1 1,2 1,3 3.729,4 7.078,5 7.078,6 3.814,7 1,8 1,9 12.133,10 12.133,11 12.133,12 5.9,13 37.252,14 4.342,15 4.342,16 2.424,17 19.654,18 20.534,20 1,21 3.982,22 3.982,23 1,24 42.683,25 1,26 1,27 5.982,28 0.336,29 3.359,30 3.359,31 5.359,32 3.359,33 5.393,34 1,35 2.763,36 6.866,37 4.137,38 2.103,40 1.07,41 4.635,42 4.635,44 1.06,45 8.531,46 9.314,47 3.925,48 1.624,49 4.074,50 2.341,51 2.341,52 10.217,54 104.239,55 11.912,56 0.874,57 7.63,58 1.4,59 5.512,60 2,61 0.863,62 1.986,63 7,64 1.166,65 -0.366,66 5.259,67 -1.394,68 1.622,69 5.495}
{0 CHEMBL1813200,1 1,2 1,3 3.729,4 7.078,5 7.078,6 3.814,7 1,8 1,9 12.133,10 12.133,11 12.133,12 5.9,13 36.842,14 4.342,15 4.342,16 2.427,17 19.653,18 20.268,20 1,21 3.982,22 3.982,23 1,24 42.683,25 1,26 1,27 5.982,28 0.367,29 3.359,30 3.359,31 5.359,32 3.359,33 5.371,34 1,35 2.763,36 6.866,37 4.137,38 2.102,40 1.057,41 4.635,42 4.635,44 1.01,45 8.531,46 9.26,47 3.925,48 1.54,49 4.074,50 2.341,51 2.341,52 10.217,54 104.239,55 11.912,56 0.654,57 7.63,58 1.6,59 5.497,60 2,61 1.061,62 1.986,63 7,64 1.133,65 -0.365,66 5.259,67 -1.421,68 1.55,69 5.137}
{0 CHEMBL1813202,1 1,2 1,3 3.729,4 7.078,5 7.078,6 3.814,7 1,8 1,9 12.133,10 12.133,11 12.133,12 5.9,13 37.006,14 4.342,15 4.342,16 2.426,17 19.654,18 20.384,20 1,21 3.982,22 3.982,23 1,24 42.683,25 1,26 1,27 5.982,28 0.356,29 3.359,30 3.359,31 5.359,32 3.359,33 5.377,34 1,35 2.763,36 6.866,37 4.137,38 2.102,40 1.077,41 4.635,42 4.635,44 0.977,45 8.531,46 9.281,47 3.925,48 1.619,49 4.074,50 2.341,51 2.341,52 10.217,54 104.239,55 11.912,56 0.87,57 7.63,58 1.6,59 5.498,60 2,61 0.928,62 1.986,63 7,64 1.145,65 -0.365,66 5.259,67 -1.409,68 1.622,69 5.721}
{0 CHEMBL1813203,1 1,2 1,3 3.729,4 7.078,5 7.078,6 3.814,7 1,8 1,9 12.133,10 12.133,11 12.133,12 5.9,13 37.006,14 4.342,15 4.342,16 2.426,17 19.654,18 20.384,20 1,21 3.982,22 3.982,23 1,24 42.683,25 1,26 1,27 5.982,28 0.356,29 3.359,30 3.359,31 5.359,32 3.359,33 5.377,34 1,35 2.763,36 6.866,37 4.137,38 2.102,40 1.077,41 4.635,42 4.635,44 0.977,45 8.531,46 9.281,47 3.925,48 1.619,49 4.074,50 2.341,51 2.341,52 10.217,54 104.239,55 11.912,56 0.87,57 7.63,58 1.6,59 5.498,60 2,61 0.928,62 1.986,63 7,64 1.145,65 -0.365,66 5.259,67 -1.409,68 1.622,69 5.013}
{0 CHEMBL1813204,1 1,2 1,3 3.729,4 7.078,5 7.078,6 3.814,7 1,8 1,9 12.133,10 12.133,11 12.133,12 5.9,13 37.14,14 4.342,15 4.342,16 2.425,17 19.654,18 20.468,20 1,21 3.982,22 3.982,23 1,24 42.683,25 1,26 1,27 5.982,28 0.346,29 3.359,30 3.359,31 5.359,32 3.359,33 5.385,34 1,35 2.763,36 6.866,37 4.137,38 2.103,40 1.088,41 4.635,42 4.635,44 1.047,45 8.531,46 9.298,47 3.925,48 1.623,49 4.074,50 2.341,51 2.341,52 10.217,54 104.239,55 11.912,56 0.874,57 7.63,58 1.5,59 5.499,60 2,61 0.888,62 1.986,63 7,64 1.156,65 -0.366,66 5.259,67 -1.401,68 1.622,69 5.745}
{0 CHEMBL181554,1 1,2 1,3 4.099,4 7.224,5 7.224,6 5.794,7 1,8 1,9 12.414,10 12.414,11 12.414,12 9.783,13 25.054,14 4.365,15 4.365,16 6.132,17 20.087,18 17.114,20 2,21 4.437,22 4.437,23 1,24 42.683,25 1,27 6.437,28 0.332,29 3.397,30 3.397,31 5.397,32 3.397,33 5.43,34 1,35 3.676,36 11.173,37 7.016,38 2.057,40 0.855,41 4.806,42 4.806,43 2,44 0.916,45 13.95,46 9.388,47 5.712,48 1.565,49 4.217,50 4.032,51 4.032,52 16.734,53 0.825,54 104.239,55 19.521,56 0.611,57 12.558,58 1.5,59 5.641,60 2,61 1.082,62 1.957,63 7,64 1.002,66 8.426,67 -1.503,68 1.538,69 4.824}
{0 CHEMBL181644,1 1,2 1,3 3.58,4 6.391,5 6.391,6 3.882,7 1,8 1,9 9.667,10 9.667,11 9.667,12 6.111,13 23.525,14 3.993,15 3.993,16 2.689,17 16.41,18 21.351,20 1,21 3.785,22 3.785,23 1,24 42.683,25 1,27 5.785,28 0.286,29 2.974,30 2.974,31 4.974,32 2.974,33 5.079,35 2.719,36 7.139,37 4.238,38 2.055,40 1.23,41 4.331,42 4.331,43 1,44 0.995,45 8.878,46 9.083,47 4.104,48 1.43,49 3.903,50 2.423,51 2.423,52 10.635,54 113.715,55 12.399,56 0.559,57 7.928,59 5.249,60 1,61 0.739,62 1.95,63 6,64 1.125,65 -0.921,66 5.444,67 -1.05,68 1.446,69 5.822}
{0 CHEMBL181656,1 1,2 1,3 3.085,4 5.958,5 5.958,6 3.882,7 1,8 1,9 8.38,10 8.38,11 8.38,12 6.111,13 11.033,14 3.78,15 3.78,16 2.635,17 14.2,18 24.589,20 1,21 3.785,22 3.785,23 1,24 42.683,25 1,27 5.785,28 0.239,29 2.802,30 2.802,31 4.802,32 2.802,33 4.852,34 1,35 2.719,36 7.139,37 4.238,38 2.053,40 1.067,41 4.172,42 4.172,44 0.946,45 8.878,46 9.046,47 4.104,48 1.429,49 3.934,50 2.423,51 2.423,52 10.635,54 123.191,55 12.399,56 0.561,57 7.928,59 4.996,60 2,61 0.526,62 1.947,63 5,64 1.073,65 -0.84,66 5.444,67 -0.968,68 1.449,69 5.405}
{0 CHEMBL181954,1 1,2 1,3 3.084,4 5.958,5 5.958,6 3.905,7 1,8 1,9 8.38,10 8.38,11 8.38,12 6.111,13 11.03,14 3.775,15 3.775,16 2.638,17 14.2,18 24.476,21 3.785,22 3.785,23 1,24 42.683,25 1,27 5.785,28 0.241,29 2.802,30 2.802,31 4.802,32 2.802,33 4.867,35 2.812,36 7.14,37 4.238,38 2.036,40 1.065,41 4.087,42 4.087,43 1,44 0.962,45 8.878,46 9.044,47 4.104,48 1.43,49 3.858,50 2.423,51 2.423,52 10.635,54 123.191,55 12.399,56 0.56,57 7.928,59 5.004,60 2,61 0.463,62 1.95,63 5,64 1.185,65 -0.845,66 5.448,67 -0.971,68 1.448,69 5.718}
{0 CHEMBL182200,1 1,2 1,3 3.323,4 7.422,5 7.422,6 3.882,7 1,8 1,9 12.922,10 12.922,11 12.922,12 6.111,13 11.499,14 4.393,15 4.393,16 2.615,17 19.932,18 11.815,19 1,20 1,21 4.131,22 4.131,23 1,24 42.683,25 1,27 6.131,28 0.244,29 3.438,30 3.438,31 5.438,32 3.438,33 5.499,34 1,35 2.719,36 7.139,37 4.238,38 2.15,40 1.102,41 4.537,42 4.537,43 1,44 1.016,45 8.878,46 9.427,47 4.104,48 1.55,49 4.185,50 2.423,51 2.423,52 10.635,54 56.857,55 12.399,56 0.859,57 7.928,59 5.537,60 1,61 0.802,62 1.942,63 6,64 1.219,65 0.585,66 5.444,67 -0.948,68 1.59,69 4.301}
{0 CHEMBL182230,1 1,2 1,3 3.084,4 5.958,5 5.958,6 3.882,7 1,8 1,9 8.38,10 8.38,11 8.38,12 6.111,13 11.039,14 3.78,15 3.78,16 2.63,17 14.2,18 24.758,20 1,21 3.785,22 3.785,23 1,24 42.683,25 1,27 5.785,28 0.231,29 2.802,30 2.802,31 4.802,32 2.802,33 4.851,34 1,35 2.719,36 7.139,37 4.238,38 2.054,40 1.083,41 4.172,42 4.172,44 1.013,45 8.878,46 9.052,47 4.104,48 1.434,49 3.934,50 2.423,51 2.423,52 10.635,54 123.191,55 12.399,56 0.563,57 7.928,59 5.031,60 2,61 0.517,62 1.953,63 5,64 1.088,65 -0.834,66 5.444,67 -0.963,68 1.457,69 5.385}
{0 CHEMBL1825104,3 3.344,4 6.738,5 6.738,6 1.381,9 11.001,10 11.001,11 11.001,13 12.91,14 4.159,15 4.159,16 1.769,17 18.013,18 21.279,20 1,21 3.594,22 3.594,24 18.011,27 5.594,28 0.349,29 3.209,30 3.209,31 5.209,32 3.209,33 5.203,34 2,35 1.465,36 1.557,38 2.068,40 1.217,41 4.644,42 4.644,44 1.07,45 1.679,47 2.162,48 1.488,49 4.145,50 1.081,51 1.081,52 1.807,53 1.758,54 104.239,55 1.939,56 0.597,58 5.6,59 5.523,61 1.567,62 1.948,63 6,64 1.204,65 -0.029,66 1.448,67 -0.103,68 1.475,69 5}
{0 CHEMBL182884,1 1,2 1,3 2.957,4 6.143,5 6.143,6 3.882,7 1,8 1,9 9.054,10 9.054,11 9.054,12 6.111,13 11.027,14 3.865,15 3.865,16 2.632,17 15.117,18 25.696,21 3.785,22 3.785,23 1,24 42.683,25 1,27 5.785,28 0.247,29 2.87,30 2.87,31 4.87,32 2.87,33 4.948,35 2.719,36 7.139,37 4.238,38 2.084,40 0.99,41 4.244,42 4.244,43 1,44 0.916,45 8.878,46 9.042,47 4.104,48 1.43,49 3.847,50 2.423,51 2.423,52 10.635,54 123.191,55 12.399,56 0.56,57 7.928,59 5.16,60 2,61 0.421,62 1.9,63 5,64 1.132,65 -0.837,66 5.444,67 -0.965,68 1.448,69 5.857}
{0 CHEMBL189110,1 1,2 1,3 4.176,4 7.618,5 7.618,6 4.957,7 1,8 1,9 13.835,10 13.835,11 13.835,12 7.903,13 11.543,14 4.484,15 4.484,16 5.543,17 21.012,18 9.194,19 1,21 4.273,22 4.273,23 1,24 42.683,25 1,27 6.273,28 0.246,29 3.527,30 3.527,31 5.527,32 3.527,33 5.585,34 1,35 3.362,36 9.016,37 5.72,38 1.997,40 0.816,41 4.63,42 4.63,43 1,44 0.54,45 11.162,46 9.455,47 4.7,48 1.477,49 4.115,50 3.02,51 3.02,52 13.333,54 56.857,55 15.519,56 0.68,57 10.068,59 5.552,60 1,61 0.485,62 1.891,63 6,64 0.977,66 6.921,67 -0.99,68 1.483,69 4.824}
{0 CHEMBL189844,1 1,2 1,3 4.176,4 7.618,5 7.618,6 5.611,7 1,8 1,9 13.835,10 13.835,11 13.835,12 9.425,13 11.525,14 4.484,15 4.484,16 5.71,17 21.012,18 8.062,19 1,21 4.461,22 4.461,23 1,24 42.683,25 1,27 6.461,28 0.255,29 3.527,30 3.527,31 5.527,32 3.527,33 5.585,34 1,35 3.556,36 10.761,37 6.771,38 1.987,40 1.152,41 4.63,42 4.63,43 1,44 0.663,45 13.427,46 9.439,47 5.506,48 1.435,49 4.115,50 3.825,51 3.825,52 16.104,54 56.857,55 18.785,56 0.456,57 12.09,59 5.552,60 1,61 1.023,62 1.89,63 6,64 0.961,66 8.128,67 -0.997,68 1.347,69 6.079}
{0 CHEMBL190334,1 1,2 1,3 3.307,4 7.618,5 7.618,6 3.882,7 1,8 1,9 13.835,10 13.835,11 13.835,12 6.111,13 11.593,14 4.484,15 4.484,16 2.601,17 21.012,18 11.398,19 1,21 4.176,22 4.176,23 1,24 42.683,25 1,27 6.176,28 0.235,29 3.527,30 3.527,31 5.527,32 3.527,33 5.585,34 1,35 2.719,36 7.139,37 4.238,38 2.074,40 1.14,41 4.63,42 4.63,43 1,44 0.895,45 8.878,46 9.504,47 4.104,48 1.477,49 4.115,50 2.423,51 2.423,52 10.635,54 56.857,55 12.399,56 0.681,57 7.928,59 5.552,60 1,61 0.879,62 1.903,63 6,64 1.245,66 5.444,67 -0.934,68 1.483,69 4.301}
{0 CHEMBL190603,1 1,2 1,3 4.176,4 7.618,5 7.618,6 5.791,7 1,8 1,9 13.835,10 13.835,11 13.835,12 9.783,13 11.536,14 4.484,15 4.484,16 6.043,17 21.012,18 8.585,19 1,21 4.437,22 4.437,23 1,24 42.683,25 1,27 6.437,28 0.249,29 3.527,30 3.527,31 5.527,32 3.527,33 5.589,34 1,35 3.641,36 11.173,37 7.016,38 1.986,40 0.842,41 4.63,42 4.63,43 1,44 0.51,45 13.95,46 9.448,47 5.712,48 1.477,49 4.115,50 4.032,51 4.032,52 16.734,54 56.857,55 19.521,56 0.451,57 12.558,59 5.552,60 1,61 0.539,62 1.889,63 6,64 0.998,66 8.425,67 -0.998,68 1.385,69 4.824}
{0 CHEMBL190968,1 1,2 1,3 3.563,4 7.618,5 7.618,6 3.882,7 1,8 1,9 13.835,10 13.835,11 13.835,12 6.111,13 11.581,14 4.484,15 4.484,16 2.602,17 21.012,18 11.337,19 1,21 4.176,22 4.176,23 1,24 42.683,25 1,27 6.176,28 0.243,29 3.527,30 3.527,31 5.527,32 3.527,33 5.585,34 1,35 2.719,36 7.139,37 4.238,38 2.068,40 1.234,41 4.63,42 4.63,43 1,44 0.779,45 8.878,46 9.494,47 4.104,48 1.477,49 4.115,50 2.423,51 2.423,52 10.635,54 56.857,55 12.399,56 0.681,57 7.928,59 5.552,60 1,61 0.653,62 1.894,63 6,64 1.234,66 5.444,67 -0.935,68 1.483,69 4.824}
{0 CHEMBL190976,1 1,2 1,3 4.176,4 7.618,5 7.618,6 4.957,7 1,8 1,9 13.835,10 13.835,11 13.835,12 7.903,13 11.559,14 4.484,15 4.484,16 5.455,17 21.012,18 9.846,19 1,21 4.259,22 4.259,23 1,24 42.683,25 1,27 6.259,28 0.237,29 3.527,30 3.527,31 5.527,32 3.527,33 5.585,34 1,35 3.362,36 9.016,37 5.72,38 2.018,40 1.012,41 4.63,42 4.63,43 1,44 0.854,45 11.162,46 9.469,47 4.7,48 1.477,49 4.115,50 3.02,51 3.02,52 13.333,54 56.857,55 15.519,56 0.681,57 10.068,59 5.553,60 1,61 0.366,62 1.892,63 6,64 0.992,66 6.921,67 -0.983,68 1.483,69 4.824}
{0 CHEMBL191489,1 1,2 1,3 4.316,4 8.496,5 8.496,6 5.791,7 1,8 1,9 16.529,10 16.529,11 16.529,12 9.783,13 11.939,14 4.819,15 4.819,16 6.058,17 25.276,18 8.43,19 1,21 4.437,22 4.437,23 1,24 42.683,25 1,27 6.437,28 0.24,29 3.848,30 3.848,31 5.848,32 3.848,33 5.936,35 3.641,36 11.173,37 7.016,38 2.019,40 0.666,41 4.892,42 4.892,43 1,44 0.562,45 13.95,46 9.77,47 5.712,48 1.512,49 4.207,50 4.032,51 4.032,52 16.734,54 56.857,55 19.521,56 0.469,57 12.558,59 5.799,60 1,61 0.575,62 1.927,63 6,64 1.013,66 8.425,67 -1.027,68 1.37,69 4.301}
{0 CHEMBL192291,1 1,2 1,3 4.176,4 7.618,5 7.618,6 5.791,7 1,8 1,9 13.835,10 13.835,11 13.835,12 9.783,13 11.536,14 4.484,15 4.484,16 6.043,17 21.012,18 8.585,19 1,21 4.437,22 4.437,23 1,24 42.683,25 1,27 6.437,28 0.249,29 3.527,30 3.527,31 5.527,32 3.527,33 5.589,34 1,35 3.641,36 11.173,37 7.016,38 1.986,40 0.842,41 4.63,42 4.63,43 1,44 0.51,45 13.95,46 9.448,47 5.712,48 1.477,49 4.115,50 4.032,51 4.032,52 16.734,54 56.857,55 19.521,56 0.451,57 12.558,59 5.552,60 1,61 0.539,62 1.889,63 6,64 0.998,66 8.425,67 -0.998,68 1.385,69 4.301}
{0 CHEMBL192500,1 1,2 1,3 4.176,4 7.618,5 7.618,6 7.38,7 1,8 1,9 13.835,10 13.835,11 13.835,12 12.449,13 11.592,14 4.484,15 4.484,16 5.571,17 21.012,18 9.801,19 1,21 5.241,22 5.241,23 1,24 42.683,25 1,27 7.241,28 0.228,29 3.527,30 3.527,31 5.527,32 3.527,33 5.608,34 1,35 4.29,36 14.346,37 8.795,38 2.032,40 0.797,41 4.63,42 4.63,43 1,44 0.877,45 17.898,46 9.496,47 10.02,48 1.477,49 4.115,50 5.976,51 5.976,52 21.463,54 56.857,55 25.034,56 0.681,57 16.06,59 5.555,60 1,61 0.961,62 1.892,63 6,64 0.975,66 10.824,67 -0.978,68 1.483,69 5.281}
{0 CHEMBL192582,1 1,2 1,3 4.153,4 7.451,5 7.451,6 4.964,7 1,8 1,9 13.103,10 13.103,11 13.103,12 7.903,13 11.321,14 4.438,15 4.438,16 5.677,17 20.28,18 9.175,19 1,21 4.271,22 4.271,23 1,24 42.683,25 1,27 6.271,28 0.249,29 3.483,30 3.483,31 5.483,32 3.483,33 5.542,34 1,35 3.412,36 9.016,37 5.72,38 1.982,40 0.776,41 4.597,42 4.597,43 1,44 0.815,45 11.162,46 9.27,47 4.7,48 1.291,49 4.1,50 3.02,51 3.02,52 13.333,54 56.857,55 15.519,56 0.503,57 10.068,59 5.52,60 1,61 0.397,62 1.832,63 6,64 0.998,66 6.922,67 -1.026,68 1.289,69 4.824}
{0 CHEMBL192609,1 1,2 1,3 4.273,4 8.496,5 8.496,6 5.463,7 1,8 1,9 16.529,10 16.529,11 16.529,12 8.509,13 11.239,14 4.758,15 4.758,16 6.359,17 25.276,18 7.606,19 1,21 4.651,22 4.651,23 1,24 42.683,25 1,27 6.651,28 0.24,29 3.848,30 3.848,31 5.848,32 3.848,33 5.861,34 1,35 3.75,36 9.63,37 6.292,38 1.996,40 0.83,41 4.892,42 4.892,43 1,44 0.481,45 11.803,46 9.07,47 4.7,48 1.284,49 4.207,50 3.02,51 3.02,52 13.992,54 56.857,55 16.19,56 0.445,57 10.701,59 5.815,60 1,61 0.472,62 1.833,63 6,64 0.906,66 7.493,67 -2.129,68 1.265,69 6.399}
{0 CHEMBL192638,1 1,2 1,3 4.176,4 7.618,5 7.618,6 4.964,7 1,8 1,9 13.835,10 13.835,11 13.835,12 7.903,13 11.552,14 4.484,15 4.484,16 5.678,17 21.012,18 9.237,19 1,21 4.271,22 4.271,23 1,24 42.683,25 1,27 6.271,28 0.24,29 3.527,30 3.527,31 5.527,32 3.527,33 5.588,34 1,35 3.412,36 9.016,37 5.72,38 1.986,40 0.753,41 4.63,42 4.63,43 1,44 0.827,45 11.162,46 9.462,47 4.7,48 1.477,49 4.115,50 3.02,51 3.02,52 13.333,54 56.857,55 15.519,56 0.681,57 10.068,59 5.553,60 1,61 0.413,62 1.89,63 6,64 1.013,66 6.922,67 -0.991,68 1.483,69 4.824}
{0 CHEMBL1927473,1 1,2 1,3 4.439,4 7.111,5 7.111,6 6.273,7 1,8 1,9 11.659,10 11.659,11 11.659,12 9.475,13 10.579,14 4.176,15 4.176,16 5.628,17 18.576,18 9.889,21 4.46,22 4.46,23 1,24 42.683,25 1,27 6.46,28 0.34,29 3.316,30 3.316,31 5.316,32 3.316,33 5.348,35 4.063,36 11.231,37 6.844,38 1.999,40 0.833,41 4.47,42 4.47,44 0.706,45 13.791,46 8.6,47 7.098,48 1.409,49 4.255,50 3.825,51 3.825,52 16.381,54 70.571,55 18.993,56 0.494,57 12.12,58 2.1,59 5.319,60 3,61 0.508,62 1.757,63 8,64 0.825,65 -2.43,66 8.712,67 -1.692,68 1.43,69 7.26}
{0 CHEMBL1927474,1 1,2 1,3 4.439,4 7.111,5 7.111,6 6.273,7 1,8 1,9 11.659,10 11.659,11 11.659,12 9.475,13 10.668,14 4.176,15 4.176,16 5.629,17 18.576,18 10.011,20 1,21 4.46,22 4.46,23 1,24 42.683,25 1,27 6.46,28 0.329,29 3.316,30 3.316,31 5.316,32 3.316,33 5.348,35 4.063,36 11.231,37 6.844,38 2.012,40 0.824,41 4.47,42 4.47,44 0.761,45 13.791,46 8.672,47 7.098,48 1.477,49 4.279,50 3.825,51 3.825,52 16.381,54 70.571,55 18.993,56 0.494,57 12.12,58 2,59 5.319,60 3,61 0.681,62 1.76,63 8,64 0.841,65 -2.428,66 8.712,67 -1.685,68 1.457,69 6.538}
{0 CHEMBL1927475,1 1,2 1,3 4.439,4 7.111,5 7.111,6 6.273,7 1,8 1,9 11.659,10 11.659,11 11.659,12 9.475,13 10.749,14 4.176,15 4.176,16 5.632,17 18.576,18 10.052,20 2,21 4.46,22 4.46,23 1,24 42.683,25 1,27 6.46,28 0.35,29 3.316,30 3.316,31 5.316,32 3.316,33 5.348,35 4.063,36 11.231,37 6.844,38 2.037,40 0.76,41 4.47,42 4.47,44 0.81,45 13.791,46 8.738,47 7.098,48 1.478,49 4.334,50 3.825,51 3.825,52 16.381,54 70.571,55 18.993,56 0.494,57 12.12,58 1.9,59 5.319,60 3,61 0.825,62 1.78,63 8,64 0.856,65 -2.456,66 8.712,67 -1.687,68 1.458,69 6.237}
{0 CHEMBL1927476,1 1,2 1,3 2.441,4 4.659,5 4.659,6 2.38,7 1,8 1,9 5.184,10 5.184,11 5.184,13 10.214,14 3.242,15 3.242,16 2.58,17 9.36,20 1,21 3.472,22 3.472,23 1,24 42.683,25 1,26 1,27 5.271,28 0.047,29 2.236,30 2.236,31 4.216,32 2.236,33 4.221,34 1,35 2.067,36 3.626,38 2.026,40 0.563,41 3.683,42 3.683,44 0.996,45 4.331,46 8.394,47 2.873,48 1.468,49 3.282,50 1.437,51 1.437,52 5.048,54 113.715,55 5.769,56 0.707,59 4.423,60 1,61 0.939,62 1.903,64 1.208,66 2.954,67 -0.913,68 1.493,69 6}
{0 CHEMBL192774,1 1,2 1,3 4.188,4 7.636,5 7.636,6 5.791,7 1,8 1,9 13.976,10 13.976,11 13.976,12 9.783,13 12.11,14 4.501,15 4.501,16 6.052,17 21.153,18 17.927,19 1,20 1,21 4.437,22 4.437,23 1,24 42.683,25 1,27 6.437,28 0.241,29 3.543,30 3.543,31 5.543,32 3.543,33 5.607,34 1,35 3.641,36 11.173,37 7.016,38 2.053,40 0.805,41 4.646,42 4.646,43 1,44 0.527,45 13.95,46 9.909,47 5.712,48 1.527,49 4.134,50 4.032,51 4.032,52 16.734,54 104.239,55 19.521,56 0.528,57 12.558,59 5.569,60 3,61 0.523,62 1.934,63 7,64 0.934,66 8.425,67 -1.029,68 1.385,69 4.301}
{0 CHEMBL192791,1 1,2 1,3 4.218,4 7.914,5 7.914,6 5.791,7 1,8 1,9 14.782,10 14.782,11 14.782,12 9.783,13 11.747,14 4.579,15 4.579,16 6.045,17 21.961,18 8.606,19 1,21 4.437,22 4.437,23 1,24 42.683,25 1,27 6.437,28 0.275,29 3.618,30 3.618,31 5.618,32 3.618,33 5.684,34 1,35 3.641,36 11.173,37 7.016,38 1.996,40 0.767,41 4.7,42 4.7,43 1,44 0.548,45 13.95,46 9.618,47 5.712,48 1.525,49 4.144,50 4.032,51 4.032,52 16.734,54 56.857,55 19.521,56 0.469,57 12.558,59 5.622,60 1,61 0.553,62 1.926,63 6,64 1.013,65 -0.213,66 8.425,67 -1,68 1.385,69 4.824}
{0 CHEMBL1933821,3 3.539,4 6.736,5 6.736,6 2.926,9 11.019,10 11.019,11 11.019,12 4.33,13 35.983,14 4.141,15 4.141,16 4.52,17 17.511,18 6.961,19 1,20 1,21 4.466,22 4.466,24 16.405,27 6.466,28 0.264,29 3.211,30 3.211,31 5.211,32 3.211,33 5.187,34 5,35 2.169,36 5.166,37 2.98,38 1.983,40 0.935,41 4.694,42 4.694,43 3,44 1.114,45 6.391,47 3.272,48 1.562,49 4.187,50 1.886,51 1.886,52 7.638,54 43.712,55 8.895,56 0.706,57 5.648,58 5.3,59 5.633,61 0.904,62 1.897,63 5,64 1.456,65 -0.063,66 3.988,67 -0.547,68 1.557,69 5}
{0 CHEMBL1933822,3 4.461,4 7.118,5 7.118,6 5.495,9 11.698,10 11.698,11 11.698,12 9.395,13 36.289,14 4.191,15 4.191,16 5.762,17 18.719,18 4.672,19 1,20 1,21 4.466,22 4.466,24 16.405,27 6.466,28 0.245,29 3.327,30 3.327,31 5.327,32 3.327,33 5.238,34 5,35 3.353,36 10.738,37 6.713,38 2.005,40 0.924,41 4.694,42 4.694,43 3,44 0.761,45 13.417,47 5.335,48 1.616,49 4.347,50 3.825,51 3.825,52 16.1,54 43.712,55 18.783,56 0.75,57 12.076,58 4.8,59 5.641,61 0.627,62 1.898,63 5,64 1.186,65 -0.178,66 8.074,67 -0.65,68 1.599,69 5}
{0 CHEMBL1933824,3 3.539,4 6.736,5 6.736,6 2.926,9 11.019,10 11.019,11 11.019,12 4.33,13 36.518,14 4.141,15 4.141,16 4.538,17 17.511,18 6.982,19 1,20 2,21 4.466,22 4.466,24 16.405,27 6.466,28 0.247,29 3.211,30 3.211,31 5.211,32 3.211,33 5.188,34 5,35 2.169,36 5.166,37 2.98,38 2.019,40 0.895,41 4.694,42 4.694,43 3,44 1.123,45 6.391,47 3.272,48 1.603,49 4.187,50 1.886,51 1.886,52 7.638,54 43.712,55 8.895,56 0.758,57 5.648,58 4.8,59 5.648,61 1.25,62 1.897,63 5,64 1.46,65 -0.063,66 3.988,67 -0.538,68 1.6,69 5}
{0 CHEMBL1933825,3 3.539,4 6.737,5 6.737,6 2.926,9 11.024,10 11.024,11 11.024,12 4.33,13 36.356,14 4.144,15 4.144,16 4.553,17 17.516,18 6.965,19 1,20 1,21 4.467,22 4.467,24 16.405,27 6.467,28 0.288,29 3.213,30 3.213,31 5.213,32 3.213,33 5.19,34 5,35 2.169,36 5.166,37 2.98,38 2.004,40 0.871,41 4.695,42 4.695,43 3,44 1.115,45 6.391,47 3.272,48 1.57,49 4.187,50 1.886,51 1.886,52 7.638,54 43.712,55 8.895,56 0.707,57 5.648,58 5,59 5.64,61 1.092,62 1.897,63 5,64 1.458,65 0.171,66 3.988,67 -0.549,68 1.56,69 5}
{0 CHEMBL1933826,3 3.55,4 7.306,5 7.306,6 2.926,9 12.495,10 12.495,11 12.495,12 4.33,13 37.455,14 4.307,15 4.307,16 4.559,17 19.808,18 7.007,19 1,20 1,21 4.689,22 4.689,24 16.405,27 6.689,28 0.279,29 3.387,30 3.387,31 5.387,32 3.387,33 5.357,34 5,35 2.169,36 5.166,37 2.98,38 2.082,40 1.159,41 4.803,42 4.803,43 3,44 1.106,45 6.391,47 3.272,48 1.554,49 4.187,50 1.886,51 1.886,52 7.638,54 43.712,55 8.895,56 0.825,57 5.648,58 4.9,59 5.803,61 0.814,62 1.897,63 5,64 1.4,65 -0.543,66 3.988,67 -0.515,68 1.551,69 5}
{0 CHEMBL1933827,3 3.55,4 7.306,5 7.306,6 2.926,9 12.495,10 12.495,11 12.495,12 4.33,13 37.079,14 4.307,15 4.307,16 4.836,17 19.808,18 14.665,19 1,20 1,21 4.689,22 4.689,24 16.405,27 6.689,28 0.279,29 3.387,30 3.387,31 5.387,32 3.387,33 5.357,34 5,35 2.169,36 5.166,37 2.98,38 1.997,40 1.037,41 4.852,42 4.852,43 3,44 1.099,45 6.391,47 3.272,48 1.536,49 4.187,50 1.886,51 1.886,52 7.638,54 91.094,55 8.895,56 0.6,57 5.648,58 5.5,59 5.779,61 0.787,62 1.897,63 6,64 1.29,65 -0.079,66 3.988,67 -0.613,68 1.536,69 5}
{0 CHEMBL1933829,3 3.539,4 6.736,5 6.736,6 2.926,9 11.019,10 11.019,11 11.019,12 4.33,13 36.369,14 4.141,15 4.141,16 4.529,17 17.505,18 7.018,19 1,20 1,21 4.466,22 4.466,24 16.405,27 6.466,28 0.215,29 3.211,30 3.211,31 5.211,32 3.211,33 5.198,34 4,35 2.169,36 5.166,37 2.98,38 1.995,40 0.95,41 4.694,42 4.694,43 3,44 0.979,45 6.391,47 3.272,48 1.621,49 4.185,50 1.886,51 1.886,52 7.638,54 43.712,55 8.895,56 0.72,57 5.648,58 4.8,59 5.641,61 0.937,62 1.961,63 5,64 1.46,66 3.988,67 -0.535,68 1.598,69 5}
{0 CHEMBL1933830,3 3.539,4 6.736,5 6.736,6 2.983,9 11.019,10 11.019,11 11.019,12 4.33,13 36.329,14 4.141,15 4.141,16 4.543,17 17.505,18 6.91,19 1,20 1,21 4.466,22 4.466,24 16.405,27 6.466,28 0.218,29 3.211,30 3.211,31 5.211,32 3.211,33 5.211,34 3,35 2.325,36 5.169,37 2.98,38 1.995,40 0.928,41 4.694,42 4.694,43 3,44 1.019,45 6.392,47 3.272,48 1.593,49 4.185,50 1.886,51 1.886,52 7.638,54 43.712,55 8.895,56 0.711,57 5.648,58 4.9,59 5.641,61 0.973,62 1.874,63 5,64 1.508,66 4.003,67 -0.555,68 1.575,69 5}
{0 CHEMBL1933831,3 3.539,4 6.736,5 6.736,6 3.047,9 11.019,10 11.019,11 11.019,12 4.33,13 36.615,14 4.141,15 4.141,16 4.553,17 17.506,18 16.682,19 1,20 1,21 4.466,22 4.466,24 16.405,27 6.466,28 0.225,29 3.211,30 3.211,31 5.211,32 3.211,33 5.218,34 4,35 2.295,36 5.197,37 2.98,38 2.033,40 0.955,41 4.694,42 4.694,43 3,44 0.942,45 6.404,47 3.272,48 1.637,49 4.186,50 1.886,51 1.886,52 7.643,54 91.094,55 8.897,56 0.712,57 5.648,58 4.7,59 5.641,61 0.996,62 1.982,63 6,64 1.311,66 4.057,67 -0.55,68 1.601,69 5}
{0 CHEMBL1933832,3 3.539,4 6.736,5 6.736,6 3.047,9 11.019,10 11.019,11 11.019,12 4.33,13 36.595,14 4.141,15 4.141,16 4.56,17 17.506,18 14.138,19 1,20 1,21 4.466,22 4.466,24 16.405,27 6.466,28 0.227,29 3.211,30 3.211,31 5.211,32 3.211,33 5.223,34 3,35 2.295,36 5.197,37 2.98,38 1.995,40 0.967,41 4.694,42 4.694,43 3,44 0.976,45 6.404,47 3.272,48 1.636,49 4.186,50 1.886,51 1.886,52 7.643,54 72.141,55 8.897,56 0.712,57 5.648,58 6.3,59 5.641,61 1.016,62 1.963,63 6,64 1.382,66 4.057,67 -0.56,68 1.6,69 5}
{0 CHEMBL1933833,3 3.539,4 6.736,5 6.736,6 2.865,9 11.019,10 11.019,11 11.019,12 4.33,13 36.248,14 4.141,15 4.141,16 4.503,17 17.548,18 7.256,20 2,21 4.466,22 4.466,24 16.405,27 6.466,28 0.261,29 3.211,30 3.211,31 5.211,32 3.211,33 5.175,34 3,35 1.984,36 5.163,37 2.98,38 1.996,40 0.911,41 4.694,42 4.694,43 2,44 0.899,45 6.39,47 3.272,48 1.565,49 4.196,50 1.886,51 1.886,52 7.637,54 43.712,55 8.895,56 0.711,57 5.648,58 5.1,59 5.641,61 1.027,62 1.952,63 5,64 1.407,65 0.221,66 3.973,67 -0.505,68 1.563,69 5}
{0 CHEMBL1933834,3 4.461,4 7.118,5 7.118,6 5.491,9 11.698,10 11.698,11 11.698,12 9.395,13 36.253,14 4.192,15 4.192,16 5.742,17 18.719,18 4.956,20 2,21 4.466,22 4.466,24 16.405,27 6.466,28 0.25,29 3.327,30 3.327,31 5.327,32 3.327,33 5.226,34 3,35 3.3,36 10.738,37 6.713,38 2.005,40 0.897,41 4.694,42 4.694,43 2,44 0.655,45 13.417,47 5.335,48 1.6,49 4.372,50 3.825,51 3.825,52 16.1,54 43.712,55 18.783,56 0.75,57 12.076,58 4.8,59 5.641,61 0.702,62 1.954,63 5,64 1.153,65 0.084,66 8.074,67 -0.613,68 1.59,69 5}
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{0 CHEMBL1933836,3 3.539,4 6.736,5 6.736,6 2.865,9 11.019,10 11.019,11 11.019,12 4.33,13 36.576,14 4.141,15 4.141,16 4.532,17 17.654,18 16.915,20 2,21 4.466,22 4.466,24 16.405,27 6.466,28 0.237,29 3.211,30 3.211,31 5.211,32 3.211,33 5.175,34 5,35 1.984,36 5.163,37 2.98,38 2.024,40 0.937,41 4.694,42 4.694,43 2,44 0.946,45 6.39,47 3.272,48 1.578,49 4.216,50 1.886,51 1.886,52 7.637,54 91.094,55 8.895,56 0.711,57 5.648,58 5,59 5.641,61 0.942,62 1.982,63 6,64 1.258,66 3.973,67 -0.523,68 1.569,69 5}
{0 CHEMBL1933840,3 3.414,4 6.736,5 6.736,6 1.407,9 11.019,10 11.019,11 11.019,13 36.13,14 4.141,15 4.141,16 4.581,17 17.511,18 6.825,19 1,20 1,21 4.464,22 4.464,24 16.405,27 6.464,28 0.255,29 3.211,30 3.211,31 5.211,32 3.211,33 5.187,34 5,35 1.598,36 1.196,38 1.995,40 0.86,41 4.695,42 4.695,43 3,44 1.035,45 1.124,47 1.96,48 1.562,49 4.191,50 0.98,51 0.98,52 1.063,54 62.665,55 1.01,56 0.648,58 5.2,59 5.6,61 1,62 1.893,63 5,64 1.419,65 -0.087,66 1.286,67 -0.722,68 1.549,69 5}
{0 CHEMBL1933841,3 4.461,4 7.118,5 7.118,6 5.434,9 11.698,10 11.698,11 11.698,12 9.388,13 36.135,14 4.191,15 4.191,16 5.774,17 18.719,18 4.525,19 1,20 1,21 4.464,22 4.464,24 16.405,27 6.464,28 0.245,29 3.327,30 3.327,31 5.327,32 3.327,33 5.238,34 5,35 3.21,36 10.734,37 6.69,38 2.001,40 0.917,41 4.695,42 4.695,43 3,44 0.756,45 13.416,47 5.335,48 1.594,49 4.361,50 3.825,51 3.825,52 16.1,54 62.665,55 18.783,56 0.68,57 12.074,58 4.9,59 5.6,61 0.712,62 1.893,63 5,64 1.156,65 -0.202,66 8.059,67 -0.83,68 1.577,69 5}
{0 CHEMBL1933842,3 4.461,4 7.118,5 7.118,6 5.434,9 11.698,10 11.698,11 11.698,12 9.388,13 36.206,14 4.191,15 4.191,16 5.775,17 18.719,18 4.518,19 1,20 1,21 4.465,22 4.465,24 16.405,27 6.465,28 0.276,29 3.327,30 3.327,31 5.327,32 3.327,33 5.238,34 5,35 3.21,36 10.734,37 6.69,38 2.004,40 0.87,41 4.696,42 4.696,43 3,44 0.797,45 13.416,47 5.335,48 1.582,49 4.361,50 3.825,51 3.825,52 16.1,54 62.665,55 18.783,56 0.674,57 12.074,58 4.9,59 5.596,61 0.839,62 1.893,63 5,64 1.156,65 -0.044,66 8.059,67 -0.838,68 1.567,69 5}
{0 CHEMBL1933843,3 4.461,4 7.118,5 7.118,6 5.439,9 11.698,10 11.698,11 11.698,12 9.388,13 36.25,14 4.191,15 4.191,16 5.785,17 18.719,18 4.456,19 1,20 1,21 4.465,22 4.465,24 16.405,27 6.465,28 0.24,29 3.327,30 3.327,31 5.327,32 3.327,33 5.261,34 3,35 3.268,36 10.734,37 6.69,38 2.004,40 0.887,41 4.696,42 4.696,43 3,44 0.784,45 13.416,47 5.335,48 1.599,49 4.358,50 3.825,51 3.825,52 16.1,54 62.665,55 18.783,56 0.674,57 12.074,58 4.8,59 5.596,61 0.892,62 1.808,63 5,64 1.189,65 0.153,66 8.059,67 -0.851,68 1.579,69 5}
{0 CHEMBL1933844,3 3.414,4 6.736,5 6.736,6 1.096,9 11.019,10 11.019,11 11.019,13 36.094,14 4.141,15 4.141,16 4.554,17 17.548,18 7.109,20 2,21 4.464,22 4.464,24 16.405,27 6.464,28 0.261,29 3.211,30 3.211,31 5.211,32 3.211,33 5.175,34 3,35 1.242,36 0.997,38 1.995,40 0.86,41 4.695,42 4.695,43 2,44 0.914,45 0.968,47 1.96,48 1.537,49 4.199,50 0.98,51 0.98,52 0.942,54 62.665,55 0.918,56 0.644,58 5.3,59 5.6,61 1.14,62 1.948,63 5,64 1.368,65 0.187,66 1.033,67 -0.685,68 1.535,69 5}
{0 CHEMBL1933845,3 4.461,4 7.118,5 7.118,6 5.429,9 11.698,10 11.698,11 11.698,12 9.388,13 36.127,14 4.192,15 4.192,16 5.745,17 18.72,18 4.912,20 2,21 4.464,22 4.464,24 16.405,27 6.464,28 0.25,29 3.327,30 3.327,31 5.327,32 3.327,33 5.228,34 3,35 3.149,36 10.734,37 6.69,38 2.001,40 0.937,41 4.695,42 4.695,43 2,44 0.672,45 13.416,47 5.335,48 1.529,49 4.402,50 3.825,51 3.825,52 16.1,54 62.665,55 18.783,56 0.825,57 12.074,58 5.2,59 5.601,61 0.828,62 1.809,63 5,64 1.076,65 0.3,66 8.058,67 -0.778,68 1.531,69 5}
{0 CHEMBL193426,3 3.704,4 6.833,5 6.833,6 2.144,9 11.362,10 11.362,11 11.362,12 1.168,13 13.405,14 4.247,15 4.247,16 1.641,17 18.406,18 24.196,21 3.749,22 3.749,27 5.749,28 0.292,29 3.299,30 3.299,31 5.299,32 3.299,33 5.341,35 1.956,36 2.685,37 0.74,38 2.096,40 1.529,41 4.501,42 4.501,44 0.831,45 2.986,47 2.381,48 1.453,49 4.146,50 1.23,51 1.23,52 3.3,54 132.667,55 3.625,56 0.685,57 1.605,58 1.7,59 5.393,61 1.493,62 1.942,63 6,64 1.147,65 0.06,66 2.4,67 0.026,68 1.474,69 6}
{0 CHEMBL1934308,1 1,2 1,3 3.563,4 6.305,5 6.305,6 2.677,7 1,8 1,9 9.622,10 9.622,11 9.622,13 24.005,14 4.004,15 4.004,16 2.65,17 16.095,18 28.593,20 4,21 3.579,22 3.579,23 1,24 60.694,26 1,27 5.579,28 0.311,29 3.013,30 3.013,31 5.013,32 3.013,33 5.057,34 2,35 2.386,36 3.743,38 2.086,40 1.251,41 4.382,42 4.382,44 1.012,45 4.396,46 9.262,47 2.873,48 1.508,49 4.142,50 1.437,51 1.437,52 5.084,54 151.62,55 5.789,56 0.573,58 1.8,59 5.262,60 2,61 1.309,62 1.961,63 8,64 1.013,66 3.153,67 -1.213,68 1.519,69 6.328}
{0 CHEMBL1934314,1 1,2 1,3 3.581,4 6.501,5 6.501,6 2.609,7 1,8 1,9 10.151,10 10.151,11 10.151,12 0.188,13 24.028,14 4.026,15 4.026,16 2.623,17 16.87,18 14.194,20 4,21 3.601,22 3.601,23 1,24 60.694,26 1,27 5.601,28 0.347,29 3.099,30 3.099,31 5.099,32 3.099,33 5.153,34 1,35 2.283,36 3.719,37 0.268,38 2.036,40 0.987,41 4.468,42 4.468,43 1,44 1.041,45 4.382,46 9.221,47 2.873,48 1.419,49 4.054,50 1.437,51 1.437,52 5.075,54 75.81,55 5.783,56 0.563,57 0.125,58 5.6,59 5.468,61 1.394,62 1.886,63 7,64 1.208,65 -0.204,66 3.112,67 -1.143,68 1.379,69 4.77}
{0 CHEMBL1934317,1 1,2 1,3 3.58,4 6.507,5 6.507,6 2.525,7 1,8 1,9 10.175,10 10.175,11 10.175,12 0.188,13 24.23,14 4.035,15 4.035,16 2.61,17 16.963,18 14.326,20 4,21 3.613,22 3.613,23 1,24 60.694,26 1,27 5.613,28 0.354,29 3.106,30 3.106,31 5.106,32 3.106,33 5.162,34 1,35 2.12,36 3.704,37 0.268,38 2.071,40 0.929,41 4.47,42 4.47,43 1,44 1.034,45 4.376,46 9.242,47 2.873,48 1.432,49 4.06,50 1.437,51 1.437,52 5.073,54 75.81,55 5.783,56 0.59,57 0.125,58 5.7,59 5.47,61 1.302,62 1.941,63 7,64 1.16,65 -0.018,66 3.076,67 -1.067,68 1.383,69 5.377}
{0 CHEMBL1934470,1 1,2 1,3 3.177,4 6.323,5 6.323,6 2.337,7 1,8 1,9 9.678,10 9.678,11 9.678,12 0.188,13 11.27,14 3.952,15 3.952,16 2.555,17 16.258,18 14.981,20 4,21 3.581,22 3.581,23 1,24 60.694,26 1,27 5.581,28 0.329,29 3.035,30 3.035,31 5.035,32 3.035,33 5.077,34 1,35 1.939,36 3.625,37 0.268,38 2.074,40 0.834,41 4.405,42 4.405,43 1,44 1.031,45 4.331,46 9.252,47 2.873,48 1.432,49 3.98,50 1.437,51 1.437,52 5.048,54 93.821,55 5.769,56 0.64,57 0.125,58 5.6,59 5.405,61 1.037,62 1.945,63 7,64 1.177,65 0.354,66 2.945,67 -0.888,68 1.384,69 4.886}
{0 CHEMBL1934471,1 1,2 1,3 3.221,4 6.323,5 6.323,6 2.602,7 1,8 1,9 9.678,10 9.678,11 9.678,12 0.188,13 11.258,14 3.95,15 3.95,16 2.571,17 16.258,18 14.818,20 1,21 3.581,22 3.581,23 1,24 42.683,26 1,27 5.581,28 0.33,29 3.035,30 3.035,31 5.035,32 3.035,33 5.093,35 2.168,36 3.775,37 0.268,38 2.065,40 0.885,41 4.405,42 4.405,43 1,44 0.997,45 4.433,46 9.239,47 2.873,48 1.431,49 3.98,50 1.437,51 1.437,52 5.115,54 75.81,55 5.813,56 0.624,57 0.125,58 3.8,59 5.405,61 1.037,62 1.935,63 7,64 1.167,65 0.104,66 3.157,67 -0.904,68 1.384,69 5.201}
{0 CHEMBL1934472,1 1,2 1,3 3.148,4 6.323,5 6.323,6 2.301,7 1,8 1,9 9.678,10 9.678,11 9.678,12 0.188,13 11.272,14 3.954,15 3.954,16 2.553,17 16.258,18 14.981,20 2,21 3.581,22 3.581,23 1,24 42.683,26 1,27 5.581,28 0.326,29 3.035,30 3.035,31 5.035,32 3.035,33 5.068,34 1,35 1.806,36 3.623,37 0.268,38 2.087,40 0.854,41 4.415,42 4.415,43 1,44 0.992,45 4.331,46 9.253,47 2.873,48 1.431,49 3.996,50 1.437,51 1.437,52 5.048,54 94.762,55 5.769,56 0.603,57 0.125,58 3.8,59 5.415,61 1.096,62 1.956,63 7,64 1.097,65 0.424,66 2.937,67 -0.887,68 1.383,69 5.092}
{0 CHEMBL1934473,1 1,2 1,3 3.159,4 6.323,5 6.323,6 2.301,7 1,8 1,9 9.678,10 9.678,11 9.678,12 0.188,13 11.283,14 3.954,15 3.954,16 2.539,17 16.258,18 15.145,20 2,21 3.581,22 3.581,23 1,24 42.683,26 1,27 5.581,28 0.326,29 3.035,30 3.035,31 5.035,32 3.035,33 5.068,34 1,35 1.806,36 3.623,37 0.268,38 2.099,40 0.802,41 4.405,42 4.405,43 1,44 1.003,45 4.331,46 9.264,47 2.873,48 1.432,49 3.98,50 1.437,51 1.437,52 5.048,54 75.81,55 5.769,56 0.669,57 0.125,58 3.6,59 5.405,61 1.049,62 1.966,63 7,64 1.131,65 0.604,66 2.937,67 -0.873,68 1.384,69 5.167}
{0 CHEMBL1934476,1 1,2 1,3 3.58,4 6.507,5 6.507,6 2.525,7 1,8 1,9 10.175,10 10.175,11 10.175,12 0.188,13 24.23,14 4.035,15 4.035,16 2.61,17 16.963,18 14.326,20 4,21 3.613,22 3.613,23 1,24 60.694,26 1,27 5.613,28 0.354,29 3.106,30 3.106,31 5.106,32 3.106,33 5.162,34 1,35 2.12,36 3.704,37 0.268,38 2.071,40 0.929,41 4.47,42 4.47,43 1,44 1.034,45 4.376,46 9.242,47 2.873,48 1.432,49 4.06,50 1.437,51 1.437,52 5.073,54 75.81,55 5.783,56 0.59,57 0.125,58 5.7,59 5.47,61 1.302,62 1.941,63 7,64 1.16,65 -0.018,66 3.076,67 -1.067,68 1.383,69 5.523}
{0 CHEMBL1934479,1 1,2 1,3 3.58,4 6.507,5 6.507,6 2.525,7 1,8 1,9 10.175,10 10.175,11 10.175,12 0.188,13 24.114,14 4.091,15 4.091,16 2.624,17 16.963,18 13.912,20 4,21 3.613,22 3.613,23 1,24 60.694,26 1,27 5.613,28 0.366,29 3.106,30 3.106,31 5.106,32 3.106,33 5.139,34 1,35 2.12,36 3.704,37 0.268,38 2.071,40 0.986,41 4.47,42 4.47,43 1,44 1.057,45 4.376,46 9.23,47 2.873,48 1.433,49 4.06,50 1.437,51 1.437,52 5.073,54 75.81,55 5.783,56 0.59,57 0.125,58 5.7,59 5.47,61 1.3,62 1.941,63 7,64 1.274,65 -0.085,66 3.076,67 -1.266,68 1.385,69 4.886}
{0 CHEMBL1934480,1 1,2 1,3 3.58,4 6.507,5 6.507,6 2.525,7 1,8 1,9 10.174,10 10.174,11 10.174,12 0.188,13 24.187,14 4.033,15 4.033,16 2.603,17 16.96,18 16.803,20 4,21 3.613,22 3.613,23 1,24 60.694,26 1,27 5.613,28 0.337,29 3.104,30 3.104,31 5.104,32 3.104,33 5.158,35 2.12,36 3.704,37 0.268,38 2.071,40 0.926,41 4.467,42 4.467,43 1,44 1.036,45 4.376,46 9.235,47 2.873,48 1.432,49 4.008,50 1.437,51 1.437,52 5.073,54 85.286,55 5.783,56 0.59,57 0.125,58 5.7,59 5.467,61 1.344,62 1.941,63 6,64 1.162,65 0.001,66 3.076,67 -1.035,68 1.383,69 5.149}
{0 CHEMBL1934481,1 1,2 1,3 3.58,4 6.509,5 6.509,6 2.525,7 1,8 1,9 10.188,10 10.188,11 10.188,12 0.188,13 24.239,14 4.038,15 4.038,16 2.611,17 16.984,18 14.35,20 3,21 3.613,22 3.613,23 1,24 60.694,26 1,27 5.613,28 0.354,29 3.109,30 3.109,31 5.109,32 3.109,33 5.164,35 2.12,36 3.704,37 0.268,38 2.071,40 0.918,41 4.473,42 4.473,43 1,44 1.034,45 4.376,46 9.242,47 2.873,48 1.432,49 4.081,50 1.437,51 1.437,52 5.073,54 75.81,55 5.783,56 0.59,57 0.125,58 5.7,59 5.473,61 1.277,62 1.941,63 7,64 1.16,65 -0.022,66 3.076,67 -1.075,68 1.383,69 5.62}
{0 CHEMBL1934482,1 1,2 1,3 3.58,4 6.58,5 6.58,6 2.525,7 1,8 1,9 10.424,10 10.424,11 10.424,12 0.188,13 24.251,14 4.063,15 4.063,16 2.612,17 17.352,18 14.371,20 5,21 3.614,22 3.614,23 1,24 60.694,26 1,27 5.614,28 0.354,29 3.138,30 3.138,31 5.138,32 3.138,33 5.19,35 2.12,36 3.704,37 0.268,38 2.071,40 0.927,41 4.502,42 4.502,43 1,44 1.055,45 4.376,46 9.244,47 2.873,48 1.432,49 4.158,50 1.437,51 1.437,52 5.073,54 75.81,55 5.783,56 0.59,57 0.125,58 5.7,59 5.502,61 1.314,62 1.941,63 7,64 1.16,65 -0.028,66 3.076,67 -1.085,68 1.383,69 5.721}
{0 CHEMBL1934483,1 1,2 1,3 3.58,4 6.507,5 6.507,6 2.525,7 1,8 1,9 10.175,10 10.175,11 10.175,12 0.188,13 24.179,14 4.035,15 4.035,16 2.624,17 16.963,18 12.912,20 4,21 3.613,22 3.613,23 1,24 60.694,26 1,27 5.613,28 0.364,29 3.106,30 3.106,31 5.106,32 3.106,33 5.161,35 2.12,36 3.704,37 0.268,38 2.071,40 0.859,41 4.47,42 4.47,43 1,44 0.941,45 4.376,46 9.23,47 2.873,48 1.432,49 4.06,50 1.437,51 1.437,52 5.073,54 75.81,55 5.783,56 0.59,57 0.125,58 5.7,59 5.47,61 1.082,62 1.941,63 7,64 1.061,65 -0.05,66 3.076,67 -1.129,68 1.383,69 5.056}
{0 CHEMBL1934484,1 1,2 1,3 3.58,4 6.507,5 6.507,6 2.525,7 1,8 1,9 10.175,10 10.175,11 10.175,12 0.188,13 24.257,14 4.036,15 4.036,16 2.603,17 16.963,18 15.093,20 4,21 3.613,22 3.613,23 1,24 60.694,26 1,27 5.613,28 0.359,29 3.106,30 3.106,31 5.106,32 3.106,33 5.161,34 1,35 2.12,36 3.704,37 0.268,38 2.071,40 0.905,41 4.47,42 4.47,43 1,44 1.055,45 4.376,46 9.248,47 2.873,48 1.435,49 4.06,50 1.437,51 1.437,52 5.073,54 75.81,55 5.783,56 0.669,57 0.125,58 5.4,59 5.47,61 1.344,62 1.941,63 7,64 1.174,65 -0.001,66 3.076,67 -1.034,68 1.472,69 5.509}
{0 CHEMBL1934485,1 1,2 1,3 3.58,4 6.507,5 6.507,6 2.609,7 1,8 1,9 10.176,10 10.176,11 10.176,12 0.188,13 24.293,14 4.036,15 4.036,16 2.609,17 16.963,18 14.548,20 4,21 3.613,22 3.613,23 1,24 60.694,26 1,27 5.613,28 0.351,29 3.107,30 3.107,31 5.107,32 3.107,33 5.163,35 2.283,36 3.719,37 0.268,38 2.071,40 0.935,41 4.47,42 4.47,43 1,44 1.081,45 4.382,46 9.255,47 2.873,48 1.493,49 4.073,50 1.437,51 1.437,52 5.075,54 75.81,55 5.783,56 0.591,57 0.125,58 5.3,59 5.47,61 1.343,62 1.941,63 7,64 1.22,65 -0.018,66 3.112,67 -1.062,68 1.509,69 5.745}
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{0 CHEMBL193459,1 1,2 1,3 4.176,4 7.618,5 7.618,6 4.964,7 1,8 1,9 13.835,10 13.835,11 13.835,12 7.903,13 11.538,14 4.484,15 4.484,16 5.629,17 21.012,18 11.132,19 1,21 4.271,22 4.271,23 1,24 42.683,25 1,27 6.271,28 0.216,29 3.527,30 3.527,31 5.527,32 3.527,33 5.587,34 1,35 3.412,36 9.016,37 5.72,38 1.991,40 0.752,41 4.63,42 4.63,43 1,44 0.791,45 11.162,46 9.452,47 4.7,48 1.477,49 4.115,50 3.02,51 3.02,52 13.333,54 66.334,55 15.519,56 0.681,57 10.068,59 5.551,60 1,61 0.408,62 1.891,63 5,64 1.018,66 6.922,67 -0.981,68 1.483,69 4.824}
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{0 CHEMBL1946572,1 1,2 1,3 3.949,4 7.198,5 7.198,6 5.65,7 1,8 1,9 12.612,10 12.612,11 12.612,12 9.429,13 24.93,14 4.384,15 4.384,16 5.886,17 20.417,18 12.77,20 1,21 4.461,22 4.461,23 1,24 42.683,25 1,27 6.461,28 0.419,29 3.445,30 3.445,31 5.445,32 3.445,33 5.455,35 3.655,36 10.763,37 6.786,38 2.039,39 1,40 1.016,41 4.706,42 4.706,43 2,44 1.028,45 13.428,46 9.149,47 5.506,48 1.507,49 4.322,50 3.825,51 3.825,52 16.104,53 0.938,54 85.286,55 18.785,56 0.633,57 12.091,58 5.3,59 5.623,60 3,61 0.911,62 1.942,63 8,64 0.991,65 -1.203,66 8.137,67 -1.854,68 1.477,69 4.301}
{0 CHEMBL1946753,1 1,2 1,3 3.949,4 7.198,5 7.198,6 5.65,7 1,8 1,9 12.609,10 12.609,11 12.609,12 9.429,13 24.91,14 4.384,15 4.384,16 5.885,17 20.415,18 12.763,20 1,21 4.461,22 4.461,23 1,24 42.683,25 1,27 6.461,28 0.419,29 3.444,30 3.444,31 5.444,32 3.444,33 5.455,35 3.655,36 10.763,37 6.786,38 2.039,39 1,40 1.012,41 4.705,42 4.705,43 2,44 0.99,45 13.428,46 9.147,47 5.506,48 1.505,49 4.322,50 3.825,51 3.825,52 16.104,53 0.938,54 85.286,55 18.785,56 0.651,57 12.091,58 5.3,59 5.622,60 3,61 0.823,62 1.942,63 8,64 0.991,65 -1.203,66 8.137,67 -1.855,68 1.477,69 4.301}
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{0 CHEMBL1946755,1 1,2 1,3 3.949,4 7.198,5 7.198,6 5.654,7 1,8 1,9 12.609,10 12.609,11 12.609,12 9.429,13 24.952,14 4.384,15 4.384,16 5.9,17 20.416,18 12.258,20 1,21 4.461,22 4.461,23 1,24 42.683,25 1,27 6.461,28 0.411,29 3.445,30 3.445,31 5.445,32 3.445,33 5.455,35 3.693,36 10.763,37 6.786,38 2.007,39 1,40 1.046,41 4.706,42 4.706,43 2,44 1.025,45 13.428,46 9.154,47 5.506,48 1.517,49 4.323,50 3.825,51 3.825,52 16.104,53 0.762,54 85.286,55 18.785,56 0.584,57 12.091,58 5.2,59 5.623,60 3,61 0.833,62 1.937,63 8,64 1.022,65 -1.212,66 8.138,67 -1.889,68 1.524,69 4.301}
{0 CHEMBL1946756,1 1,2 1,3 3.951,4 7.173,5 7.173,6 5.826,7 1,8 1,9 12.585,10 12.585,11 12.585,12 9.786,13 25.023,14 4.368,15 4.368,16 6.202,17 20.391,18 12.84,20 1,21 4.437,22 4.437,23 1,24 42.683,25 1,27 6.437,28 0.403,29 3.422,30 3.422,31 5.422,32 3.422,33 5.444,35 3.767,36 11.175,37 7.027,38 2.002,39 1,40 0.778,41 4.696,42 4.696,43 3,44 0.935,45 13.95,46 9.169,47 5.712,48 1.549,49 4.258,50 4.032,51 4.032,52 16.734,53 0.786,54 85.286,55 19.521,56 0.582,57 12.559,58 5.1,59 5.613,60 3,61 0.95,62 1.921,63 8,64 1.053,65 -1.21,66 8.432,67 -1.85,68 1.524,69 4.301}
{0 CHEMBL1946757,1 1,2 1,3 3.949,4 7.202,5 7.202,6 5.654,7 1,8 1,9 12.619,10 12.619,11 12.619,12 9.429,13 24.949,14 4.385,15 4.385,16 5.903,17 20.426,18 12.271,20 1,21 4.461,22 4.461,23 1,24 42.683,25 1,27 6.461,28 0.411,29 3.447,30 3.447,31 5.447,32 3.447,33 5.456,35 3.693,36 10.763,37 6.786,38 2.007,39 1,40 1.046,41 4.707,42 4.707,43 2,44 0.972,45 13.428,46 9.154,47 5.506,48 1.525,49 4.328,50 3.825,51 3.825,52 16.104,53 0.662,54 85.286,55 18.785,56 0.584,57 12.091,58 5.2,59 5.625,60 3,61 1.092,62 1.937,63 8,64 1.022,65 -1.192,66 8.138,67 -1.875,68 1.526,69 4.301}
{0 CHEMBL1946758,1 1,2 1,3 3.951,4 7.174,5 7.174,6 5.826,7 1,8 1,9 12.589,10 12.589,11 12.589,12 9.786,13 25.018,14 4.369,15 4.369,16 6.203,17 20.396,18 12.852,20 1,21 4.437,22 4.437,23 1,24 42.683,25 1,27 6.437,28 0.403,29 3.422,30 3.422,31 5.422,32 3.422,33 5.444,35 3.767,36 11.175,37 7.027,38 2.002,39 1,40 0.778,41 4.697,42 4.697,43 3,44 0.941,45 13.95,46 9.167,47 5.712,48 1.556,49 4.258,50 4.032,51 4.032,52 16.734,53 0.7,54 85.286,55 19.521,56 0.583,57 12.559,58 5.1,59 5.614,60 3,61 0.733,62 1.921,63 8,64 1.053,65 -1.191,66 8.432,67 -1.836,68 1.524,69 4.301}
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{0 CHEMBL1946953,1 1,2 1,3 3.95,4 7.199,5 7.199,6 5.654,7 1,8 1,9 12.611,10 12.611,11 12.611,12 9.429,13 24.952,14 4.385,15 4.385,16 5.91,17 20.418,18 12.112,21 4.461,22 4.461,23 1,24 42.683,25 1,27 6.461,28 0.411,29 3.445,30 3.445,31 5.445,32 3.445,33 5.456,35 3.693,36 10.763,37 6.786,38 2.004,39 1,40 1.062,41 4.706,42 4.706,43 2,44 1.016,45 13.428,46 9.135,47 5.506,48 1.52,49 4.33,50 3.825,51 3.825,52 16.104,53 0.748,54 85.286,55 18.785,56 0.584,57 12.091,58 5.2,59 5.625,60 2,61 0.867,62 1.937,63 8,64 1.022,65 -1.169,66 8.138,67 -1.889,68 1.526,69 4.301}
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{0 CHEMBL1947144,3 3.95,4 7.812,5 7.812,6 4.392,9 14.308,10 14.308,11 14.308,12 6.273,13 37.722,14 4.55,15 4.55,16 2.688,17 22.239,18 19.785,19 1,21 4.325,22 4.325,24 18.011,27 6.325,28 0.38,29 3.586,30 3.586,31 5.586,32 3.586,33 5.621,34 1,35 3.282,36 7.358,37 4.536,38 2.055,39 2,40 0.935,41 4.709,42 4.709,43 1,44 0.91,45 8.989,47 4.222,48 1.591,49 4.429,50 2.408,51 2.408,52 10.669,53 1.17,54 104.239,55 12.378,56 0.583,57 8,58 7.1,59 5.636,61 0.849,62 1.956,63 6,64 1.266,66 5.806,67 -1.624,68 1.525,69 4.301}
{0 CHEMBL1947145,3 3.95,4 7.812,5 7.812,6 4.378,9 14.308,10 14.308,11 14.308,12 6.273,13 37.628,14 4.55,15 4.55,16 2.688,17 22.239,18 19.571,19 1,21 4.325,22 4.325,24 18.011,27 6.325,28 0.382,29 3.586,30 3.586,31 5.586,32 3.586,33 5.621,34 1,35 3.225,36 7.358,37 4.536,38 2.055,39 2,40 0.933,41 4.709,42 4.709,43 1,44 0.868,45 8.989,47 4.222,48 1.59,49 4.427,50 2.408,51 2.408,52 10.669,53 1.13,54 104.239,55 12.378,56 0.426,57 8,58 7.7,59 5.636,61 0.826,62 1.948,63 6,64 1.212,66 5.803,67 -1.632,68 1.513,69 4.301}
{0 CHEMBL1947146,1 1,2 1,3 3.774,4 7.171,5 7.171,6 4.101,7 1,8 1,9 12.571,10 12.571,11 12.571,12 6.204,13 24.851,14 4.362,15 4.362,16 2.752,17 20.378,18 17.448,21 3.951,22 3.951,23 1,24 42.683,25 1,27 5.951,28 0.414,29 3.415,30 3.415,31 5.415,32 3.415,33 5.433,35 3.011,36 7.211,37 4.406,38 2.008,39 1,40 1.174,41 4.69,42 4.69,43 2,44 1.072,45 8.916,46 9.135,47 4.104,48 1.513,49 4.241,50 2.423,51 2.423,52 10.654,53 1.149,54 94.762,55 12.409,56 0.583,57 7.977,58 5.5,59 5.608,60 2,61 0.893,62 1.944,63 7,64 1.262,65 -1.035,66 5.576,67 -1.42,68 1.525,69 4.301}
{0 CHEMBL1947147,3 3.951,4 7.812,5 7.812,6 4.392,9 14.31,10 14.31,11 14.31,12 6.273,13 37.884,14 4.552,15 4.552,16 2.754,17 22.246,18 17.447,19 1,20 1,21 4.326,22 4.326,24 18.011,27 6.326,28 0.393,29 3.588,30 3.588,31 5.588,32 3.588,33 5.623,34 1,35 3.282,36 7.358,37 4.536,38 2.028,39 2,40 0.984,41 4.716,42 4.716,43 1,44 0.904,45 8.989,47 4.222,48 1.588,49 4.432,50 2.408,51 2.408,52 10.669,53 1.124,54 94.762,55 12.378,56 0.583,57 8,58 7.1,59 5.643,61 0.837,62 1.954,63 7,64 1.266,66 5.806,67 -1.75,68 1.524,69 4.301}
{0 CHEMBL1956149,1 1,2 1,3 3.611,4 7.119,5 7.119,6 3.728,7 1,8 1,9 12.414,10 12.414,11 12.414,12 5.889,13 24.8,14 4.369,15 4.369,16 2.466,17 19.996,18 24.089,20 4,21 3.729,22 3.729,23 1,24 60.694,25 1,26 1,27 5.729,28 0.388,29 3.368,30 3.368,31 5.368,32 3.368,33 5.386,35 2.626,36 6.853,37 4.112,38 2.289,40 1.214,41 4.856,42 4.856,44 1.114,45 8.527,46 9.414,47 3.925,48 1.569,49 4.263,50 2.341,51 2.341,52 10.216,53 6.636,54 113.715,55 11.912,56 0.772,57 7.625,58 1.6,59 5.742,60 2,61 1.549,62 1.904,63 4,64 0.983,65 -0.442,66 5.223,67 -0.959,68 1.579,69 7.367}
{0 CHEMBL197496,1 1,2 1,3 3.358,4 6.884,5 6.884,6 3.747,7 1,8 1,9 11.523,10 11.523,11 11.523,12 5.985,13 11.084,14 4.249,15 4.249,16 2.543,17 19.067,18 23.381,19 1,20 1,21 3.632,22 3.632,23 1,24 42.683,25 1,27 5.632,28 0.318,29 3.26,30 3.26,31 5.26,32 3.26,33 5.348,34 1,35 2.57,36 6.963,37 4.173,38 2.071,40 0.708,41 4.692,42 4.692,43 1,44 1.023,45 8.666,46 9.098,47 3.984,48 1.718,49 4.137,50 2.374,51 2.374,52 10.384,53 3.505,54 113.286,55 12.108,56 0.906,57 7.75,58 3.1,59 5.614,60 1,61 0.729,62 1.991,63 5,64 1.152,66 5.297,67 -0.877,68 1.748,69 6.495}
{0 CHEMBL198082,3 3.08,4 6.459,5 6.459,6 2.74,9 9.969,10 9.969,11 9.969,12 3.981,14 3.943,15 3.943,16 0.929,17 16.72,18 5.857,21 3.915,22 3.915,24 18.011,27 5.915,28 0.294,29 3.018,30 3.018,31 5.018,32 3.018,33 4.98,35 1.957,36 4.834,37 2.71,38 2.071,39 1,40 1.019,41 4.27,42 4.27,44 1.014,45 5.963,47 3.18,48 1.291,49 3.452,50 1.803,51 1.803,52 7.113,54 28.429,55 8.276,56 0.531,57 5.219,58 5,59 5.27,61 1.012,62 1.797,63 3,64 1.322,65 0.577,66 3.745,67 0.83,68 1.341,69 4}
{0 CHEMBL198529,1 1,2 1,3 3.358,4 6.884,5 6.884,6 3.747,7 1,8 1,9 11.523,10 11.523,11 11.523,12 5.985,13 10.999,14 4.249,15 4.249,16 2.533,17 19.067,18 23.419,21 3.631,22 3.631,23 1,24 42.683,25 1,27 5.631,28 0.318,29 3.26,30 3.26,31 5.26,32 3.26,33 5.346,35 2.57,36 6.963,37 4.173,38 2.071,40 0.698,41 4.692,42 4.692,44 0.996,45 8.666,46 9.03,47 3.984,48 1.719,49 4.137,50 2.374,51 2.374,52 10.384,53 3.597,54 113.286,55 12.108,56 0.907,57 7.75,58 3.1,59 5.612,60 2,61 0.424,62 1.991,63 5,64 1.152,66 5.297,67 -0.867,68 1.751,69 7.097}
{0 CHEMBL198579,1 1,2 1,3 3.358,4 6.884,5 6.884,6 3.747,7 1,8 1,9 11.523,10 11.523,11 11.523,12 5.985,13 11.088,14 4.255,15 4.255,16 2.539,17 19.067,18 25.58,19 1,20 1,21 3.632,22 3.632,23 1,24 42.683,25 1,27 5.632,28 0.316,29 3.26,30 3.26,31 5.26,32 3.26,33 5.354,34 1,35 2.57,36 6.963,37 4.173,38 2.074,40 0.677,41 4.692,42 4.692,43 1,44 1.07,45 8.666,46 9.102,47 3.984,48 1.718,49 4.137,50 2.374,51 2.374,52 10.384,53 3.74,54 125.026,55 12.108,56 0.906,57 7.75,58 1.5,59 5.614,60 1,61 0.698,62 1.995,63 5,64 1.166,66 5.297,67 -0.873,68 1.748,69 5.672}
{0 CHEMBL198786,1 1,2 1,3 3.331,4 6.74,5 6.74,6 3.747,7 1,8 1,9 11.043,10 11.043,11 11.043,12 5.985,13 11.092,14 4.184,15 4.184,16 2.535,17 18.29,18 26.139,19 1,20 1,21 3.632,22 3.632,23 1,24 59.469,25 1,27 5.632,28 0.315,29 3.206,30 3.206,31 5.206,32 3.206,33 5.284,34 1,35 2.57,36 6.963,37 4.173,38 2.058,40 0.654,41 4.641,42 4.641,43 1,44 1.045,45 8.666,46 9.106,47 3.984,48 1.731,49 4.129,50 2.374,51 2.374,52 10.384,53 4.096,54 122.762,55 12.108,56 0.906,57 7.75,58 3,59 5.563,60 1,61 0.681,62 2.013,63 5,64 1.174,66 5.297,67 -0.868,68 1.76,69 5.476}
{0 CHEMBL198929,3 3.31,4 7.307,5 7.307,6 5.431,9 12.573,10 12.573,11 12.573,12 9.388,14 4.355,15 4.355,16 5.825,17 20.47,18 12.664,20 2,21 4.471,22 4.471,24 16.54,27 6.471,28 0.301,29 3.441,30 3.441,31 5.441,32 3.441,33 5.452,35 3.192,36 10.734,37 6.69,38 2.046,40 0.643,41 4.746,42 4.746,44 0.883,45 13.416,47 5.335,48 1.642,49 4.267,50 3.825,51 3.825,52 16.1,53 2.117,54 65.905,55 18.783,56 0.556,57 12.074,58 10.2,59 5.666,61 1.095,62 1.856,63 5,64 0.977,66 8.058,68 1.558,69 6.432}
{0 CHEMBL199418,3 3.071,4 6.092,5 6.092,6 2.658,9 8.863,10 8.863,11 8.863,12 3.807,14 3.845,15 3.845,16 1.029,17 15.091,18 5.711,21 3.789,22 3.789,24 36.022,27 5.789,28 0.299,29 2.884,30 2.884,31 4.884,32 2.884,33 4.86,35 1.863,36 4.662,37 2.579,38 2.006,39 1,40 0.958,41 4.249,42 4.249,44 0.887,45 5.741,47 3.124,48 1.187,49 3.41,50 1.762,51 1.762,52 6.843,54 28.429,55 7.958,56 0.282,57 5.001,58 6.1,59 5.145,61 0.82,62 1.514,63 3,64 1.242,65 0.57,66 3.621,67 0.638,68 1.212,69 4}
{0 CHEMBL199490,3 3.08,4 6.459,5 6.459,6 2.74,9 9.969,10 9.969,11 9.969,12 3.981,14 3.943,15 3.943,16 0.929,17 16.72,18 5.857,21 3.915,22 3.915,24 18.011,27 5.915,28 0.294,29 3.018,30 3.018,31 5.018,32 3.018,33 4.98,35 1.957,36 4.834,37 2.71,38 2.071,39 1,40 1.019,41 4.27,42 4.27,44 1.014,45 5.963,47 3.18,48 1.291,49 3.452,50 1.803,51 1.803,52 7.113,54 28.429,55 8.276,56 0.531,57 5.219,58 5,59 5.27,61 1.012,62 1.797,63 3,64 1.322,65 0.577,66 3.745,67 0.83,68 1.341,69 4}
{0 CHEMBL199938,3 3.071,4 6.091,5 6.091,6 2.658,9 8.862,10 8.862,11 8.862,12 3.807,14 3.845,15 3.845,16 1.026,17 15.09,18 5.703,21 3.789,22 3.789,24 36.022,27 5.789,28 0.255,29 2.884,30 2.884,31 4.884,32 2.884,33 4.85,35 1.863,36 4.662,37 2.579,38 2.004,39 1,40 1.068,41 4.249,42 4.249,44 0.959,45 5.741,47 3.124,48 0.923,49 3.403,50 1.762,51 1.762,52 6.843,54 28.429,55 7.958,56 0.079,57 5.001,58 6.7,59 5.125,61 0.829,62 1.513,63 3,64 1.224,66 3.621,67 0.641,68 0.979,69 4}
{0 CHEMBL200495,1 1,2 1,3 3.631,4 7.307,5 7.307,6 5.588,7 1,8 1,9 12.573,10 12.573,11 12.573,12 9.421,13 10.935,14 4.355,15 4.355,16 5.837,17 20.47,18 11.812,21 4.471,22 4.471,23 1,24 42.683,25 1,27 6.471,28 0.32,29 3.441,30 3.441,31 5.441,32 3.441,33 5.452,35 3.494,36 10.757,37 6.766,38 2.046,40 0.587,41 4.746,42 4.746,44 0.867,45 13.425,46 8.97,47 5.436,48 1.642,49 4.267,50 3.825,51 3.825,52 16.103,53 1.709,54 65.905,55 18.784,56 0.556,57 12.087,58 3.5,59 5.666,60 2,61 0.896,62 1.856,63 4,64 1.02,66 8.119,67 -0.914,68 1.558,69 7.018}
{0 CHEMBL200952,1 1,2 1,3 3.305,4 6.712,5 6.712,6 3.747,7 1,8 1,9 10.91,10 10.91,11 10.91,12 5.985,13 11.01,14 4.125,15 4.125,16 2.532,17 18.117,18 17.547,19 1,20 1,21 3.632,22 3.632,23 1,24 59.469,25 1,27 5.632,28 0.311,29 3.161,30 3.161,31 5.161,32 3.161,33 5.225,34 1,35 2.57,36 6.963,37 4.173,38 2.058,40 0.647,41 4.611,42 4.611,43 1,44 1.02,45 8.666,46 9.04,47 3.984,48 1.686,49 3.798,50 2.374,51 2.374,52 10.384,53 4.136,54 84.429,55 12.108,56 0.669,57 7.75,58 3.6,59 5.533,60 1,61 0.689,62 1.858,63 3,64 1.267,66 5.297,67 -0.865,68 1.682,69 6.377}
{0 CHEMBL200984,1 1,2 1,3 3.582,4 6.712,5 6.712,6 3.747,7 1,8 1,9 10.91,10 10.91,11 10.91,12 5.985,13 23.429,14 4.124,15 4.124,16 2.566,17 18.067,18 21.39,19 1,20 1,21 3.632,22 3.632,23 1,24 42.683,25 1,27 5.632,28 0.319,29 3.161,30 3.161,31 5.161,32 3.161,33 5.218,34 1,35 2.57,36 6.963,37 4.173,38 2.042,40 0.961,41 4.611,42 4.611,43 1,44 0.923,45 8.666,46 9.017,47 3.984,48 1.462,49 3.952,50 2.374,51 2.374,52 10.384,53 1.669,54 122.762,55 12.108,56 0.509,57 7.75,58 1.8,59 5.528,60 1,61 1.068,62 1.933,63 5,64 1.034,66 5.297,67 -1.079,68 1.44,69 5}
{0 CHEMBL201036,1 1,2 1,3 3.585,4 6.712,5 6.712,6 3.747,7 1,8 1,9 10.913,10 10.913,11 10.913,12 5.985,13 24.037,14 4.166,15 4.166,16 2.548,17 18.165,18 28.564,19 1,20 1,21 3.632,22 3.632,23 1,24 42.683,25 1,27 5.632,28 0.318,29 3.171,30 3.171,31 5.171,32 3.171,33 5.264,34 1,35 2.57,36 6.963,37 4.173,38 2.166,40 0.954,41 4.611,42 4.611,43 1,44 1.026,45 8.666,46 9.118,47 3.984,48 1.765,49 4.277,50 2.374,51 2.374,52 10.384,53 3.858,54 141.715,55 12.108,56 0.906,57 7.75,58 1.4,59 5.533,60 1,61 0.707,62 2.012,63 5,64 1.113,66 5.297,67 -0.864,68 1.777,69 5.269}
{0 CHEMBL2011538,3 3.369,4 6.9,5 6.9,6 2.883,8 1,9 11.583,10 11.583,11 11.583,14 4.258,15 4.258,16 1.677,17 19.152,18 9.56,20 1,21 3.6,22 3.6,23 1,24 42.683,27 5.6,28 0.429,29 3.291,30 3.291,31 5.291,32 3.291,33 5.37,34 1,35 2.617,36 3.753,38 1.996,40 0.989,41 4.46,42 4.46,43 3,44 0.798,45 4.285,46 10.174,47 2.783,48 1.519,49 4.156,50 1.392,51 1.392,52 4.857,54 47.381,55 5.456,56 0.579,59 5.46,61 1.152,62 1.767,63 7,64 1.27,65 0.239,66 3.276,68 1.487,69 4.322}
{0 CHEMBL2011539,3 3.335,4 6.897,5 6.897,6 2.819,8 1,9 11.569,10 11.569,11 11.569,14 4.251,15 4.251,16 1.535,17 19.129,18 11.362,20 1,21 3.594,22 3.594,23 1,24 42.683,27 5.594,28 0.417,29 3.283,30 3.283,31 5.283,32 3.283,33 5.363,34 1,35 2.503,36 3.738,38 2.006,40 0.965,41 4.407,42 4.407,43 2,44 0.764,45 4.279,46 9.82,47 2.783,48 1.502,49 4.112,50 1.392,51 1.392,52 4.855,54 56.857,55 5.455,56 0.577,59 5.407,61 1.444,62 1.769,63 6,64 1.197,65 0.465,66 3.245,68 1.484,69 4.275}
{0 CHEMBL2011540,3 3.335,4 6.897,5 6.897,6 2.819,8 1,9 11.569,10 11.569,11 11.569,14 4.251,15 4.251,16 1.535,17 19.129,18 11.362,20 1,21 3.594,22 3.594,23 1,24 42.683,27 5.594,28 0.417,29 3.283,30 3.283,31 5.283,32 3.283,33 5.363,34 1,35 2.503,36 3.738,38 2.006,40 0.965,41 4.407,42 4.407,43 2,44 0.764,45 4.279,46 9.82,47 2.783,48 1.502,49 4.112,50 1.392,51 1.392,52 4.855,54 56.857,55 5.455,56 0.577,59 5.407,61 1.444,62 1.769,63 6,64 1.197,65 0.465,66 3.245,68 1.484,69 4.47}
{0 CHEMBL2011541,3 3.575,4 7.28,5 7.28,6 1.355,7 3,9 12.272,10 12.272,11 12.272,14 4.392,15 4.392,16 2.297,17 19.544,21 3.807,22 3.807,23 3,24 128.05,27 5.634,28 0.167,29 3.429,30 3.429,31 5.429,32 3.429,33 5.392,35 1.45,36 1.292,38 2.071,40 1.031,41 4.516,42 4.516,44 1.004,45 1.296,46 28.853,47 2.047,48 1.003,49 3.065,50 1.023,51 1.023,52 1.313,54 137.526,55 1.337,56 0.234,59 5.452,62 1.547,64 1.286,65 -0.873,66 1.307,67 0.798,68 1.024,69 4.314}
{0 CHEMBL2011543,3 3.101,4 6.38,5 6.38,6 1.354,7 3,9 9.656,10 9.656,11 9.656,14 3.975,15 3.975,16 2.543,17 16.347,18 4.786,19 2,21 3.353,22 3.353,23 3,24 128.05,27 5.353,28 0.349,29 3.013,30 3.013,31 5.013,32 3.013,33 4.975,35 1.635,36 0.888,38 2.003,40 1.118,41 4.313,42 4.313,44 0.758,45 0.704,46 27.692,47 1.72,48 0.989,49 3.154,50 0.86,51 0.86,52 0.551,54 156.479,55 0.426,56 0.149,59 5.113,61 1.363,62 1.576,63 3,64 1.345,65 -2.358,66 1.105,68 1.023,69 4.646}
{0 CHEMBL2011544,3 2.237,4 5.069,5 5.069,6 1.255,9 6.181,10 6.181,11 6.181,13 11.24,14 3.43,15 3.43,16 1.688,17 11.024,20 1,21 3.455,22 3.455,24 18.011,27 5.292,28 0.129,29 2.43,30 2.43,31 4.387,32 2.43,33 4.408,34 1,35 1.176,36 1.422,38 2,40 1.152,41 3.766,42 3.766,44 1.019,45 1.51,47 2.117,48 1.239,49 3.159,50 1.058,51 1.058,52 1.599,54 56.857,55 1.69,56 0.469,58 2.6,59 4.599,61 1.148,62 1.823,64 1.438,65 0.494,66 1.338,67 -0.021,68 1.308,69 5.31}
{0 CHEMBL2011545,3 2.237,4 5.069,5 5.069,6 1.255,9 6.181,10 6.181,11 6.181,13 11.304,14 3.43,15 3.43,16 1.693,17 11.024,20 1,21 3.455,22 3.455,24 18.011,27 5.296,28 0.115,29 2.43,30 2.43,31 4.397,32 2.43,33 4.413,34 1,35 1.176,36 1.422,38 2.003,40 1.167,41 3.766,42 3.766,44 0.963,45 1.51,47 2.117,48 1.272,49 3.241,50 1.058,51 1.058,52 1.599,54 75.81,55 1.69,56 0.492,58 2.3,59 4.599,61 1.048,62 1.868,64 1.385,65 0.488,66 1.338,67 -0.027,68 1.316,69 4.292}
{0 CHEMBL20125,1 1,2 1,3 3.733,4 7.224,5 7.224,6 5.691,7 1,8 1,9 12.052,10 12.052,11 12.052,12 6.98,13 24.936,14 4.281,15 4.281,16 2.508,17 18.92,18 34.845,20 5,21 4.944,22 4.944,23 1,24 60.694,25 1,27 6.944,28 0.262,29 3.352,30 3.352,31 5.352,32 3.352,33 5.393,34 2,35 3.595,36 10.431,37 4.606,38 2.106,39 1,40 1.427,41 4.438,42 4.438,44 1.068,45 12.853,46 9.432,47 6.739,48 1.78,49 4.139,50 3.412,51 3.412,52 15.283,54 161.096,55 17.715,56 0.922,57 9.519,58 2.4,59 5.354,60 2,61 0.864,62 2.033,63 7,64 1.114,65 0.43,66 8.028,67 -0.963,68 1.785,69 5.35}
{0 CHEMBL201581,1 1,2 1,3 3.582,4 6.553,5 6.553,6 3.747,7 1,8 1,9 10.39,10 10.39,11 10.39,12 5.985,13 23.42,14 4.062,15 4.062,16 2.566,17 17.138,18 21.449,19 1,20 1,21 3.631,22 3.631,23 1,24 42.683,25 1,27 5.631,28 0.319,29 3.099,30 3.099,31 5.099,32 3.099,33 5.153,34 1,35 2.57,36 6.963,37 4.173,38 2.042,40 0.955,41 4.555,42 4.555,43 1,44 0.93,45 8.666,46 9.017,47 3.984,48 1.463,49 3.952,50 2.374,51 2.374,52 10.384,53 1.759,54 122.762,55 12.108,56 0.51,57 7.75,58 1.8,59 5.47,60 1,61 1.055,62 1.933,63 5,64 1.034,66 5.297,67 -1.078,68 1.437,69 5.501}
{0 CHEMBL201653,1 1,2 1,3 3.588,4 6.712,5 6.712,6 3.747,7 1,8 1,9 10.91,10 10.91,11 10.91,12 5.985,13 23.85,14 4.124,15 4.124,16 2.564,17 18.067,18 20.127,19 1,20 1,21 3.632,22 3.632,23 1,24 42.683,25 1,27 5.632,28 0.32,29 3.161,30 3.161,31 5.161,32 3.161,33 5.221,34 1,35 2.57,36 6.963,37 4.173,38 2.069,40 0.924,41 4.611,42 4.611,43 1,44 0.965,45 8.666,46 9.07,47 3.984,48 1.717,49 4.126,50 2.374,51 2.374,52 10.384,53 1.678,54 113.286,55 12.108,56 0.906,57 7.75,58 1.6,59 5.534,60 1,61 0.98,62 1.969,63 6,64 1.076,66 5.297,67 -1.051,68 1.746,69 5.487}
{0 CHEMBL201803,1 1,2 1,3 3.729,4 7.236,5 7.236,6 5.585,7 1,8 1,9 12.152,10 12.152,11 12.152,12 9.418,13 23.814,14 4.244,15 4.244,16 6.05,17 19.586,18 7.124,20 1,21 4.474,22 4.474,23 1,24 60.694,25 1,26 1,27 6.474,28 0.336,29 3.372,30 3.372,31 5.372,32 3.372,33 5.259,35 3.516,36 10.755,37 6.762,38 2.059,40 0.887,41 4.539,42 4.539,44 0.727,45 13.424,46 9.211,47 5.409,48 1.453,49 3.921,50 3.825,51 3.825,52 16.102,54 56.857,55 18.784,56 0.562,57 12.086,58 2,59 5.423,60 2,61 0.601,62 1.886,63 6,64 0.96,65 -0.607,66 8.115,67 -1.527,68 1.45,69 6.301}
{0 CHEMBL201832,1 1,2 1,3 3.729,4 7.118,5 7.118,6 5.585,7 1,8 1,9 11.698,10 11.698,11 11.698,12 9.418,13 23.811,14 4.192,15 4.192,16 5.914,17 18.704,18 6.74,20 1,21 4.461,22 4.461,23 1,24 60.694,25 1,26 1,27 6.461,28 0.336,29 3.326,30 3.326,31 5.326,32 3.326,33 5.206,35 3.516,36 10.755,37 6.762,38 2.059,40 1.124,41 4.48,42 4.48,44 0.755,45 13.424,46 9.21,47 5.409,48 1.453,49 4.044,50 3.825,51 3.825,52 16.102,54 56.857,55 18.784,56 0.562,57 12.086,58 2,59 5.365,60 2,61 0.664,62 1.886,63 6,64 0.96,65 -0.615,66 8.115,67 -1.575,68 1.45,69 6}
{0 CHEMBL201880,1 1,2 1,3 3.585,4 6.712,5 6.712,6 3.747,7 1,8 1,9 10.913,10 10.913,11 10.913,12 5.985,13 23.94,14 4.166,15 4.166,16 2.538,17 18.165,18 28.608,21 3.631,22 3.631,23 1,24 42.683,25 1,27 5.631,28 0.318,29 3.171,30 3.171,31 5.171,32 3.171,33 5.261,35 2.57,36 6.963,37 4.173,38 2.166,40 0.947,41 4.603,42 4.603,44 1.001,45 8.666,46 9.048,47 3.984,48 1.77,49 4.277,50 2.374,51 2.374,52 10.384,53 3.949,54 141.715,55 12.108,56 0.907,57 7.75,58 1.4,59 5.523,60 2,61 0.5,62 2.012,63 5,64 1.113,66 5.297,67 -0.851,68 1.784,69 6.652}
{0 CHEMBL202118,1 1,2 1,3 3.729,4 7.236,5 7.236,6 5.585,7 1,8 1,9 12.155,10 12.155,11 12.155,12 9.418,13 23.497,14 4.25,15 4.25,16 6.098,17 19.604,18 7.003,20 1,21 4.474,22 4.474,23 1,24 60.694,25 1,26 1,27 6.474,28 0.336,29 3.375,30 3.375,31 5.375,32 3.375,33 5.264,35 3.516,36 10.755,37 6.762,38 2.069,40 0.916,41 4.548,42 4.548,44 0.687,45 13.424,46 9.216,47 5.409,48 1.453,49 4.086,50 3.825,51 3.825,52 16.102,54 56.857,55 18.784,56 0.549,57 12.086,58 2,59 5.433,60 2,61 0.864,62 1.898,63 6,64 0.96,65 -0.559,66 8.115,67 -1.667,68 1.445,69 7.518}
{0 CHEMBL202140,1 1,2 1,3 3.588,4 6.553,5 6.553,6 3.747,7 1,8 1,9 10.39,10 10.39,11 10.39,12 5.985,13 23.841,14 4.062,15 4.062,16 2.564,17 17.221,18 20.187,19 1,20 1,21 3.631,22 3.631,23 1,24 42.683,25 1,27 5.631,28 0.32,29 3.099,30 3.099,31 5.099,32 3.099,33 5.156,34 1,35 2.57,36 6.963,37 4.173,38 2.069,40 0.919,41 4.555,42 4.555,43 1,44 0.97,45 8.666,46 9.07,47 3.984,48 1.72,49 4.126,50 2.374,51 2.374,52 10.384,53 1.766,54 113.286,55 12.108,56 0.908,57 7.75,58 1.6,59 5.475,60 1,61 0.971,62 1.969,63 6,64 1.076,66 5.297,67 -1.051,68 1.752,69 5.118}
{0 CHEMBL202240,1 1,2 1,3 3.582,4 6.546,5 6.546,6 3.747,7 1,8 1,9 10.357,10 10.357,11 10.357,12 5.985,13 23.34,14 4.059,15 4.059,16 2.554,17 17.144,18 21.432,21 3.631,22 3.631,23 1,24 42.683,25 1,27 5.631,28 0.319,29 3.095,30 3.095,31 5.095,32 3.095,33 5.15,35 2.57,36 6.963,37 4.173,38 2.042,40 0.955,41 4.552,42 4.552,44 0.901,45 8.666,46 8.958,47 3.984,48 1.462,49 3.952,50 2.374,51 2.374,52 10.384,53 1.759,54 122.762,55 12.108,56 0.51,57 7.75,58 1.8,59 5.467,60 2,61 0.901,62 1.933,63 5,64 1.034,66 5.297,67 -1.063,68 1.439,69 5}
{0 CHEMBL202246,1 1,2 1,3 3.585,4 6.712,5 6.712,6 3.747,7 1,8 1,9 10.913,10 10.913,11 10.913,12 5.985,13 24.031,14 4.166,15 4.166,16 2.548,17 18.165,18 28.622,19 1,20 1,21 3.631,22 3.631,23 1,24 42.683,25 1,27 5.631,28 0.318,29 3.171,30 3.171,31 5.171,32 3.171,33 5.261,34 1,35 2.57,36 6.963,37 4.173,38 2.166,40 0.948,41 4.603,42 4.603,43 1,44 1.028,45 8.666,46 9.118,47 3.984,48 1.775,49 4.277,50 2.374,51 2.374,52 10.384,53 3.94,54 141.715,55 12.108,56 0.908,57 7.75,58 1.4,59 5.523,60 1,61 0.695,62 2.012,63 5,64 1.113,66 5.297,67 -0.864,68 1.794,69 5.62}
{0 CHEMBL2024606,3 4.461,4 7.118,5 7.118,6 5.443,9 11.698,10 11.698,11 11.698,12 9.388,13 36.205,14 4.186,15 4.186,16 5.886,17 18.718,18 5.741,21 4.464,22 4.464,24 16.405,27 6.464,28 0.21,29 3.327,30 3.327,31 5.327,32 3.327,33 5.281,34 2,35 3.303,36 10.734,37 6.69,38 2.002,40 0.94,41 4.695,42 4.695,43 1,44 0.78,45 13.416,47 5.335,48 1.586,49 4.306,50 3.825,51 3.825,52 16.1,54 62.665,55 18.783,56 0.655,57 12.074,58 3.2,59 5.6,61 0.729,62 1.853,63 6,64 1.172,66 8.059,67 -0.872,68 1.599,69 5}
{0 CHEMBL202515,1 1,2 1,3 3.584,4 6.553,5 6.553,6 3.747,7 1,8 1,9 10.39,10 10.39,11 10.39,12 5.985,13 23.755,14 4.063,15 4.063,16 2.55,17 17.225,18 30.127,19 1,20 1,21 3.631,22 3.631,23 1,24 42.683,25 1,27 5.631,28 0.316,29 3.099,30 3.099,31 5.099,32 3.099,33 5.156,34 1,35 2.57,36 6.963,37 4.173,38 2.152,40 0.971,41 4.555,42 4.555,43 1,44 0.976,45 8.666,46 9.065,47 3.984,48 1.597,49 4.218,50 2.374,51 2.374,52 10.384,53 3.789,54 151.191,55 12.108,56 0.703,57 7.75,58 1.6,59 5.469,60 1,61 0.546,62 2.007,63 4,64 1.078,66 5.297,67 -0.877,68 1.603,69 5.59}
{0 CHEMBL202609,1 1,2 1,3 3.729,4 7.119,5 7.119,6 5.585,7 1,8 1,9 11.704,10 11.704,11 11.704,12 9.418,13 23.492,14 4.202,15 4.202,16 5.962,17 18.781,18 6.7,20 1,21 4.461,22 4.461,23 1,24 60.694,25 1,26 1,27 6.461,28 0.336,29 3.33,30 3.33,31 5.33,32 3.33,33 5.217,35 3.516,36 10.755,37 6.762,38 2.069,40 1.042,41 4.502,42 4.502,44 0.692,45 13.424,46 9.215,47 5.409,48 1.453,49 4.188,50 3.825,51 3.825,52 16.102,54 56.857,55 18.784,56 0.549,57 12.086,58 2,59 5.388,60 2,61 0.928,62 1.898,63 6,64 0.96,65 -0.568,66 8.115,67 -1.799,68 1.445,69 7.921}
{0 CHEMBL202617,1 1,2 1,3 3.584,4 6.546,5 6.546,6 3.747,7 1,8 1,9 10.357,10 10.357,11 10.357,12 5.985,13 23.672,14 4.063,15 4.063,16 2.54,17 17.192,18 30.117,21 3.631,22 3.631,23 1,24 42.683,25 1,27 5.631,28 0.316,29 3.095,30 3.095,31 5.095,32 3.095,33 5.156,35 2.57,36 6.963,37 4.173,38 2.152,40 0.97,41 4.552,42 4.552,44 0.938,45 8.666,46 9.001,47 3.984,48 1.595,49 4.218,50 2.374,51 2.374,52 10.384,53 3.798,54 151.191,55 12.108,56 0.703,57 7.75,58 1.6,59 5.466,60 2,61 0.283,62 2.007,63 4,64 1.078,66 5.297,67 -0.864,68 1.602,69 5.354}
{0 CHEMBL202785,1 1,2 1,3 3.3,4 6.423,5 6.423,6 3.817,7 1,8 1,9 9.843,10 9.843,11 9.843,12 6.05,13 11.736,14 3.983,15 3.983,16 2.512,17 16.296,18 27.53,21 3.81,22 3.81,23 1,24 42.683,25 1,26 1,27 5.81,28 0.283,29 2.983,30 2.983,31 4.983,32 2.983,33 5.078,35 2.703,36 7.044,37 4.213,38 2.083,40 1.008,41 4.255,42 4.255,44 0.902,45 8.766,46 9.628,47 4.03,48 1.629,49 4.012,50 2.397,51 2.397,52 10.503,54 151.62,55 12.247,56 0.798,57 7.838,59 5.174,60 3,61 0.817,62 1.981,63 8,64 0.965,65 -0.597,66 5.363,67 -0.846,68 1.617,69 5.873}
{0 CHEMBL20280,1 1,2 1,3 4.058,4 7.224,5 7.224,6 5.8,7 1,8 1,9 12.052,10 12.052,11 12.052,12 6.98,13 24.595,14 4.281,15 4.281,16 2.507,17 18.92,18 14.903,20 4,21 4.944,22 4.944,23 1,24 60.694,25 1,27 6.944,28 0.216,29 3.352,30 3.352,31 5.352,32 3.352,33 5.393,34 3,35 3.8,36 10.448,37 4.606,38 2.132,39 1,40 1.214,41 4.438,42 4.438,43 2,44 0.913,45 12.86,46 9.372,47 6.739,48 1.674,49 4.01,50 3.412,51 3.412,52 15.285,54 75.81,55 17.716,56 0.956,57 9.519,58 3.9,59 5.438,60 2,61 0.635,62 2.001,63 4,64 1.23,65 0.84,66 8.073,67 -0.991,68 1.688,69 5}
{0 CHEMBL203408,1 1,2 1,3 3.3,4 7.408,5 7.408,6 3.712,7 1,8 1,9 12.812,10 12.812,11 12.812,12 5.889,13 11.489,14 4.407,15 4.407,16 2.453,17 19.691,18 18.341,21 4.011,22 4.011,23 1,24 42.683,25 1,26 1,27 6.011,28 0.247,29 3.407,30 3.407,31 5.407,32 3.407,33 5.502,35 2.639,36 6.85,37 4.112,38 2.073,40 1.328,41 4.484,42 4.484,44 0.908,45 8.526,46 9.434,47 3.925,48 1.504,49 4.012,50 2.341,51 2.341,52 10.216,54 104.239,55 11.912,56 0.734,57 7.625,59 5.403,60 2,61 0.967,62 1.926,63 7,64 1.059,66 5.215,67 -0.787,68 1.541,69 5.963}
{0 CHEMBL203409,1 1,2 1,3 3.3,4 7.408,5 7.408,6 3.712,7 1,8 1,9 12.812,10 12.812,11 12.812,12 5.889,13 11.489,14 4.407,15 4.407,16 2.453,17 19.691,18 18.341,21 4.011,22 4.011,23 1,24 42.683,25 1,26 1,27 6.011,28 0.247,29 3.407,30 3.407,31 5.407,32 3.407,33 5.502,35 2.639,36 6.85,37 4.112,38 2.073,40 1.328,41 4.484,42 4.484,44 0.908,45 8.526,46 9.434,47 3.925,48 1.504,49 4.012,50 2.341,51 2.341,52 10.216,54 104.239,55 11.912,56 0.734,57 7.625,59 5.403,60 2,61 0.967,62 1.926,63 7,64 1.059,66 5.215,67 -0.787,68 1.541,69 5.617}
{0 CHEMBL2035057,1 1,2 1,3 4.46,4 7.111,5 7.111,6 6.216,7 1,8 1,9 11.659,10 11.659,11 11.659,12 9.425,13 10.775,14 4.177,15 4.177,16 5.61,17 18.594,18 10.872,21 4.611,22 4.611,23 1,24 42.683,25 1,27 6.611,28 0.335,29 3.316,30 3.316,31 5.316,32 3.316,33 5.35,35 3.979,36 11.204,37 6.771,38 1.999,40 0.753,41 4.486,42 4.486,44 0.789,45 13.774,46 8.831,47 7.098,48 1.453,49 4.243,50 3.825,51 3.825,52 16.371,54 66.334,55 18.987,56 0.702,57 12.09,58 1.7,59 5.453,60 3,61 0.365,62 1.823,63 8,64 0.864,65 0.853,66 8.673,67 -1.021,68 1.454,69 8.959}
{0 CHEMBL2035058,1 1,2 1,3 4.472,4 7.282,5 7.282,6 6.587,7 1,8 1,9 12.41,10 12.41,11 12.41,12 10.1,13 10.855,14 4.297,15 4.297,16 6.055,17 20.111,18 11.959,21 4.614,22 4.614,23 1,24 42.683,25 1,27 6.614,28 0.332,29 3.404,30 3.404,31 5.404,32 3.404,33 5.47,35 4.295,36 11.69,37 7.424,38 2.017,40 0.913,41 4.594,42 4.594,44 0.89,45 14.305,46 8.872,47 7.098,48 1.518,49 4.393,50 3.825,51 3.825,52 16.937,54 94.762,55 19.583,56 0.7,57 12.775,58 1.6,59 5.479,60 3,61 0.699,62 1.987,63 11,64 0.807,65 -0.77,66 9.105,67 -1.164,68 1.544,69 8.921}
{0 CHEMBL2035059,1 1,2 1,3 4.46,4 7.111,5 7.111,6 6.216,7 1,8 1,9 11.659,10 11.659,11 11.659,12 9.425,13 10.873,14 4.177,15 4.177,16 5.662,17 18.6,18 15.778,21 4.613,22 4.613,23 1,24 42.683,25 1,27 6.613,28 0.336,29 3.316,30 3.316,31 5.316,32 3.316,33 5.35,35 3.979,36 11.204,37 6.771,38 1.999,40 0.817,41 4.49,42 4.49,44 0.791,45 13.774,46 8.904,47 7.098,48 1.515,49 4.314,50 3.825,51 3.825,52 16.371,54 94.762,55 18.987,56 0.7,57 12.09,58 1.6,59 5.367,60 3,61 0.486,62 1.969,63 11,64 0.829,65 -0.173,66 8.673,67 -1.061,68 1.543,69 8.553}
{0 CHEMBL2035060,1 1,2 1,3 4.46,4 7.111,5 7.111,6 6.216,7 1,8 1,9 11.659,10 11.659,11 11.659,12 9.425,13 10.834,14 4.177,15 4.177,16 5.699,17 18.6,18 13.375,21 4.613,22 4.613,23 1,24 42.683,25 1,27 6.613,28 0.351,29 3.316,30 3.316,31 5.316,32 3.316,33 5.35,35 3.979,36 11.204,37 6.771,38 2.007,40 0.812,41 4.488,42 4.488,44 0.837,45 13.774,46 8.867,47 7.098,48 1.517,49 4.245,50 3.825,51 3.825,52 16.371,54 94.762,55 18.987,56 0.7,57 12.09,58 1.6,59 5.362,60 3,61 0.625,62 1.982,63 11,64 0.808,65 -0.365,66 8.673,67 -1.098,68 1.538,69 8.337}
{0 CHEMBL2035061,1 1,2 1,3 4.46,4 7.111,5 7.111,6 6.216,7 1,8 1,9 11.659,10 11.659,11 11.659,12 9.425,13 10.834,14 4.177,15 4.177,16 5.703,17 18.598,18 13.169,21 4.613,22 4.613,23 1,24 42.683,25 1,27 6.613,28 0.351,29 3.316,30 3.316,31 5.316,32 3.316,33 5.35,35 3.979,36 11.204,37 6.771,38 2.006,40 0.89,41 4.488,42 4.488,44 0.854,45 13.774,46 8.866,47 7.098,48 1.516,49 4.246,50 3.825,51 3.825,52 16.371,54 94.762,55 18.987,56 0.7,57 12.09,58 1.6,59 5.362,60 3,61 0.658,62 1.982,63 11,64 0.808,65 -0.41,66 8.673,67 -1.102,68 1.54,69 7.777}
{0 CHEMBL2035062,1 1,2 1,3 4.46,4 7.111,5 7.111,6 6.216,7 1,8 1,9 11.659,10 11.659,11 11.659,12 9.425,13 10.832,14 4.177,15 4.177,16 5.726,17 18.594,18 11.544,21 4.613,22 4.613,23 1,24 42.683,25 1,27 6.613,28 0.373,29 3.316,30 3.316,31 5.316,32 3.316,33 5.35,35 3.979,36 11.204,37 6.771,38 2,40 0.7,41 4.488,42 4.488,44 0.819,45 13.774,46 8.86,47 7.098,48 1.517,49 4.354,50 3.825,51 3.825,52 16.371,54 85.286,55 18.987,56 0.699,57 12.09,58 1.6,59 5.36,60 3,61 0.532,62 1.972,63 12,64 0.801,65 -0.463,66 8.673,67 -1.124,68 1.533,69 8.174}
{0 CHEMBL2035063,1 1,2 1,3 4.46,4 7.111,5 7.111,6 6.216,7 1,8 1,9 11.659,10 11.659,11 11.659,12 9.425,13 10.826,14 4.209,15 4.209,16 5.801,17 19.659,18 8.803,21 4.613,22 4.613,23 1,24 42.683,25 1,27 6.613,28 0.413,29 3.316,30 3.316,31 5.316,32 3.316,33 5.382,35 3.979,36 11.204,37 6.771,38 1.999,40 0.745,41 4.628,42 4.628,44 0.887,45 13.774,46 8.844,47 7.098,48 1.517,49 4.394,50 3.825,51 3.825,52 16.371,54 66.334,55 18.987,56 0.696,57 12.09,58 1.6,59 5.507,60 3,61 0.827,62 1.921,63 14,64 0.794,65 -0.954,66 8.673,67 -1.194,68 1.532,69 8.092}
{0 CHEMBL2035064,1 1,2 1,3 4.46,4 7.111,5 7.111,6 6.216,7 1,8 1,9 11.659,10 11.659,11 11.659,12 9.425,13 10.942,14 4.177,15 4.177,16 5.646,17 18.593,18 29.385,21 4.613,22 4.613,23 1,24 42.683,25 1,27 6.613,28 0.311,29 3.316,30 3.316,31 5.316,32 3.316,33 5.35,35 3.979,36 11.204,37 6.771,38 2.101,40 0.742,41 4.487,42 4.487,44 0.812,45 13.774,46 8.963,47 7.098,48 1.679,49 4.246,50 3.825,51 3.825,52 16.371,54 151.62,55 18.987,56 0.729,57 12.09,58 1.4,59 5.358,60 3,61 0.384,62 1.993,63 11,64 0.82,65 -0.034,66 8.673,67 -1.041,68 1.641,69 8.357}
{0 CHEMBL2035065,1 1,2 1,3 4.46,4 7.111,5 7.111,6 6.216,7 1,8 1,9 11.659,10 11.659,11 11.659,12 9.425,13 10.933,14 4.178,15 4.178,16 5.644,17 18.652,18 25.268,21 4.613,22 4.613,23 1,24 42.683,25 1,27 6.613,28 0.326,29 3.316,30 3.316,31 5.316,32 3.316,33 5.35,35 3.979,36 11.204,37 6.771,38 2.168,40 0.736,41 4.514,42 4.514,44 0.779,45 13.774,46 8.956,47 7.098,48 1.618,49 4.39,50 3.825,51 3.825,52 16.371,53 2.315,54 132.667,55 18.987,56 0.701,57 12.09,58 1.5,59 5.388,60 3,61 0.368,62 1.992,63 9,64 0.814,65 -0.035,66 8.673,67 -1.039,68 1.638,69 6.31}
{0 CHEMBL2035067,1 1,2 1,3 4.46,4 7.111,5 7.111,6 6.217,7 1,8 1,9 11.787,10 11.787,11 11.787,12 9.425,13 11.011,14 4.219,15 4.219,16 5.658,17 19.251,18 31.226,21 4.641,22 4.641,23 1,24 42.683,25 1,27 6.641,28 0.311,29 3.317,30 3.317,31 5.317,32 3.317,33 5.392,35 3.996,36 11.204,37 6.771,38 2.094,40 0.713,41 4.518,42 4.518,44 0.795,45 13.774,46 9.018,47 7.098,48 1.679,49 4.255,50 3.825,51 3.825,52 16.371,54 161.096,55 18.987,56 0.715,57 12.09,58 1.4,59 5.405,60 3,61 0.324,62 1.99,63 10,64 0.82,65 -0.217,66 8.673,67 -1.045,68 1.641,69 6.281}
{0 CHEMBL2035068,1 1,2 1,3 4.46,4 7.111,5 7.111,6 6.216,7 1,8 1,9 11.659,10 11.659,11 11.659,12 9.425,13 10.705,14 4.177,15 4.177,16 5.612,17 18.584,18 10.683,21 4.609,22 4.609,23 1,24 42.683,25 1,27 6.609,28 0.324,29 3.316,30 3.316,31 5.316,32 3.316,33 5.349,35 3.979,36 11.204,37 6.771,38 1.999,40 0.781,41 4.485,42 4.485,44 0.727,45 13.774,46 8.773,47 7.098,48 1.458,49 4.243,50 3.825,51 3.825,52 16.371,54 66.334,55 18.987,56 0.617,57 12.09,58 1.9,59 5.336,60 3,61 0.436,62 1.887,63 8,64 0.874,65 0.126,66 8.673,67 -1.029,68 1.458,69 8.745}
{0 CHEMBL2035069,1 1,2 1,3 4.46,4 7.111,5 7.111,6 6.216,7 1,8 1,9 11.659,10 11.659,11 11.659,12 9.425,13 10.738,14 4.177,15 4.177,16 5.613,17 18.586,18 10.749,21 4.61,22 4.61,23 1,24 42.683,25 1,27 6.61,28 0.314,29 3.316,30 3.316,31 5.316,32 3.316,33 5.349,35 3.979,36 11.204,37 6.771,38 1.999,40 0.76,41 4.485,42 4.485,44 0.771,45 13.774,46 8.8,47 7.098,48 1.473,49 4.243,50 3.825,51 3.825,52 16.371,54 66.334,55 18.987,56 0.679,57 12.09,58 1.8,59 5.342,60 3,61 0.381,62 1.943,63 8,64 0.89,65 0.14,66 8.673,67 -1.027,68 1.479,69 9}
{0 CHEMBL2035070,1 1,2 1,3 4.46,4 7.111,5 7.111,6 6.216,7 1,8 1,9 11.659,10 11.659,11 11.659,12 9.425,13 10.767,14 4.177,15 4.177,16 5.614,17 18.586,18 10.799,21 4.61,22 4.61,23 1,24 42.683,25 1,27 6.61,28 0.304,29 3.316,30 3.316,31 5.316,32 3.316,33 5.349,35 3.979,36 11.204,37 6.771,38 2.002,40 0.745,41 4.485,42 4.485,44 0.81,45 13.774,46 8.823,47 7.098,48 1.514,49 4.243,50 3.825,51 3.825,52 16.371,54 66.334,55 18.987,56 0.701,57 12.09,58 1.7,59 5.363,60 3,61 0.385,62 1.975,63 8,64 0.904,65 0.144,66 8.673,67 -1.026,68 1.55,69 8.638}
{0 CHEMBL2035071,1 1,2 1,3 4.46,4 7.111,5 7.111,6 6.216,7 1,8 1,9 11.659,10 11.659,11 11.659,12 9.425,13 10.769,14 4.177,15 4.177,16 5.617,17 18.59,18 10.771,21 4.611,22 4.611,23 1,24 42.683,25 1,27 6.611,28 0.335,29 3.316,30 3.316,31 5.316,32 3.316,33 5.349,35 3.979,36 11.204,37 6.771,38 2.007,40 0.699,41 4.486,42 4.486,44 0.812,45 13.774,46 8.825,47 7.098,48 1.479,49 4.243,50 3.825,51 3.825,52 16.371,54 66.334,55 18.987,56 0.693,57 12.09,58 1.7,59 5.355,60 3,61 0.343,62 1.979,63 8,64 0.904,65 0.54,66 8.673,67 -1.028,68 1.49,69 8.959}
{0 CHEMBL2036997,1 1,2 1,3 3.27,4 6.223,5 6.223,6 3.696,7 1,8 1,9 9.4,10 9.4,11 9.4,12 5.889,13 10.795,14 3.93,15 3.93,16 2.444,17 15.836,18 22.801,21 3.601,22 3.601,23 1,24 42.683,25 1,26 1,27 5.601,28 0.284,29 2.955,30 2.955,31 4.955,32 2.955,33 5.017,35 2.599,36 6.85,37 4.112,38 2.098,40 0.825,41 4.298,42 4.298,44 0.952,45 8.526,46 8.875,47 3.925,48 1.615,49 3.868,50 2.341,51 2.341,52 10.216,54 104.239,55 11.912,56 0.868,57 7.625,59 5.221,60 3,61 0.352,62 1.988,63 7,64 1.135,65 0.017,66 5.211,67 -0.778,68 1.654,69 8.097}
{0 CHEMBL2037003,1 1,2 1,3 3.626,4 7.224,5 7.224,6 3.882,7 1,8 1,9 12.052,10 12.052,11 12.052,12 6.111,13 24.331,14 4.304,15 4.304,16 2.704,17 19.214,18 21.776,21 4.099,22 4.099,23 1,24 42.683,25 1,27 6.099,28 0.273,29 3.352,30 3.352,31 5.352,32 3.352,33 5.401,35 2.719,36 7.139,37 4.238,38 2.071,40 1.512,41 4.456,42 4.456,44 0.985,45 8.878,46 9.182,47 4.104,48 1.612,49 4,50 2.423,51 2.423,52 10.635,54 113.715,55 12.399,56 0.837,57 7.928,59 5.379,60 2,61 0.553,62 1.983,63 6,64 1.164,65 -0.177,66 5.444,67 -1.1,68 1.647,69 8.301}
{0 CHEMBL2037004,1 1,2 1,3 3.601,4 6.631,5 6.631,6 3.685,7 1,8 1,9 10.551,10 10.551,11 10.551,12 5.889,13 24.033,14 4.109,15 4.109,16 2.465,17 17.716,18 20.872,21 3.627,22 3.627,23 1,24 42.683,25 1,26 1,27 5.627,28 0.3,29 3.109,30 3.109,31 5.109,32 3.109,33 5.198,35 2.527,36 6.85,37 4.112,38 2.073,40 1.057,41 4.456,42 4.456,44 1.03,45 8.526,46 8.894,47 3.925,48 1.615,49 3.974,50 2.341,51 2.341,52 10.216,54 104.239,55 11.912,56 0.876,57 7.625,59 5.38,60 3,61 0.58,62 1.988,63 7,64 1.131,65 -0.097,66 5.21,67 -0.839,68 1.65,69 8.222}
{0 CHEMBL2037005,1 1,2 1,3 3.152,4 7.608,5 7.608,6 3.859,7 1,8 1,9 13.813,10 13.813,11 13.813,12 6.111,13 12.436,14 4.444,15 4.444,16 2.622,17 20.771,18 26.523,20 1,21 4.159,22 4.159,23 1,24 42.683,25 1,27 6.159,28 0.228,29 3.485,30 3.485,31 5.485,32 3.485,33 5.517,35 2.617,36 7.139,37 4.238,38 2.062,40 1.46,41 4.559,42 4.559,43 1,44 1.02,45 8.878,46 10.186,47 4.104,48 1.672,49 4.012,50 2.423,51 2.423,52 10.635,54 132.667,55 12.399,56 0.887,57 7.928,58 1.4,59 5.449,60 5,61 0.547,62 1.991,63 7,64 1.168,66 5.441,67 -0.956,68 1.672,69 5.141}
{0 CHEMBL2037006,1 1,2 1,3 3.152,4 6.32,5 6.32,6 3.859,7 1,8 1,9 9.669,10 9.669,11 9.669,12 6.111,13 11.608,14 4.005,15 4.005,16 2.669,17 16.243,18 26.129,20 1,21 3.796,22 3.796,23 1,24 42.683,25 1,27 5.796,28 0.289,29 3.027,30 3.027,31 5.027,32 3.027,33 5.077,35 2.617,36 7.139,37 4.238,38 2.04,40 1.123,41 4.4,42 4.4,43 1,44 1.04,45 8.878,46 9.508,47 4.104,48 1.577,49 3.96,50 2.423,51 2.423,52 10.635,54 132.667,55 12.399,56 0.731,57 7.928,58 1.7,59 5.286,60 4,61 0.583,62 1.991,63 7,64 1.123,65 -0.965,66 5.441,67 -1.003,68 1.58,69 5.152}
{0 CHEMBL2037007,1 1,2 1,3 3.152,4 7.601,5 7.601,6 3.859,7 1,8 1,9 13.75,10 13.75,11 13.75,12 6.111,13 12.161,14 4.438,15 4.438,16 2.651,17 20.703,18 26.323,20 1,21 4.157,22 4.157,23 1,24 42.683,25 1,27 6.157,28 0.241,29 3.48,30 3.48,31 5.48,32 3.48,33 5.511,35 2.617,36 7.139,37 4.238,38 2.053,40 1.501,41 4.555,42 4.555,43 1,44 1.039,45 8.878,46 9.959,47 4.104,48 1.585,49 4.011,50 2.423,51 2.423,52 10.635,54 132.667,55 12.399,56 0.738,57 7.928,58 1.6,59 5.442,60 4,61 0.578,62 1.991,63 7,64 1.147,66 5.441,67 -0.984,68 1.593,69 5.295}
{0 CHEMBL2037008,1 1,2 1,3 3.92,4 7.224,5 7.224,6 4.125,7 1,8 1,9 12.052,10 12.052,11 12.052,12 6.21,13 24.269,14 4.304,15 4.304,16 2.675,17 19.573,18 17.421,20 1,21 4.099,22 4.099,23 1,24 42.683,25 1,27 6.099,28 0.277,29 3.352,30 3.352,31 5.352,32 3.352,33 5.355,34 1,35 3.029,36 7.212,37 4.435,38 2.057,39 1,40 1.423,41 4.438,42 4.438,44 0.922,45 8.915,46 9.205,47 4.104,48 1.666,49 4.012,50 2.423,51 2.423,52 10.653,54 85.286,55 12.408,56 0.837,57 7.978,58 4.5,59 5.392,60 2,61 0.475,62 1.927,63 3,64 1.358,65 -0.127,66 5.586,67 -0.26,68 1.684,69 5.824}
{0 CHEMBL2037009,3 3.783,4 6.491,5 6.491,6 6.722,9 10.118,10 10.118,11 10.118,12 9.91,13 23.172,14 4.011,15 4.011,16 1.977,17 16.858,18 22.967,19 1,21 4.875,22 4.875,24 18.011,27 6.875,28 0.296,29 3.061,30 3.061,31 5.061,32 3.061,33 5.119,34 1,35 4.03,36 12.677,37 6.639,38 2.061,39 1,40 0.646,41 4.287,42 4.287,43 1,44 0.939,45 15.686,47 8.891,48 1.626,49 3.923,50 4.628,51 4.628,52 18.702,54 113.715,55 21.724,56 0.657,57 13.141,58 1.6,59 5.213,61 0.445,62 1.991,63 6,64 1.121,65 -0.003,66 9.679,67 -0.586,68 1.566,69 6.796}
{0 CHEMBL2037010,3 3.784,4 6.5,5 6.5,6 6.722,8 1,9 10.163,10 10.163,11 10.163,12 9.91,13 23.333,14 4.02,15 4.02,16 1.995,17 16.961,18 19.627,20 2,21 4.875,22 4.875,23 1,24 60.694,27 6.875,28 0.299,29 3.069,30 3.069,31 5.069,32 3.069,33 5.13,34 1,35 4.03,36 12.677,37 6.639,38 2.046,39 1,40 0.72,41 4.298,42 4.298,43 1,44 0.986,45 15.686,46 9.426,47 8.891,48 1.627,49 4.016,50 4.628,51 4.628,52 18.702,54 104.239,55 21.724,56 0.662,57 13.141,58 1.6,59 5.226,61 0.846,62 1.959,63 7,64 1.096,65 -0.535,66 9.679,67 -0.626,68 1.568,69 5.42}
{0 CHEMBL2037078,1 1,2 1,3 3.788,4 7.111,5 7.111,6 5.604,7 1,8 1,9 11.659,10 11.659,11 11.659,12 9.425,13 11.421,14 4.185,15 4.185,16 5.652,17 18.649,18 12.515,20 1,21 4.46,22 4.46,23 1,24 42.683,25 1,27 6.46,28 0.369,29 3.316,30 3.316,31 5.316,32 3.316,33 5.238,34 1,35 3.484,36 10.761,37 6.771,38 2.059,40 0.887,41 4.642,42 4.642,43 1,44 0.693,45 13.427,46 9.356,47 5.506,48 1.607,49 4.35,50 3.825,51 3.825,52 16.104,53 1.915,54 75.81,55 18.785,56 0.815,57 12.09,58 3.3,59 5.485,60 2,61 0.523,62 1.871,63 7,64 1.034,65 -0.901,66 8.128,67 -0.994,68 1.62,69 6.429}
{0 CHEMBL2037079,1 1,2 1,3 3.797,4 6.398,5 6.398,6 4.964,7 1,8 1,9 9.963,10 9.963,11 9.963,12 7.903,13 11.093,14 3.956,15 3.956,16 5.677,17 16.381,18 9.357,19 1,20 1,21 4.271,22 4.271,23 1,24 42.683,25 1,27 6.271,28 0.284,29 3.106,30 3.106,31 5.106,32 3.106,33 5.06,34 1,35 3.412,36 9.016,37 5.72,38 2.055,40 0.6,41 4.305,42 4.305,43 1,44 0.902,45 11.162,46 9.09,47 4.7,48 1.41,49 4.094,50 3.02,51 3.02,52 13.333,54 56.857,55 15.519,56 0.491,57 10.068,59 5.249,60 1,61 0.467,62 1.84,63 6,64 0.998,65 -0.855,66 6.922,67 -0.993,68 1.38,69 5.161}
{0 CHEMBL2037080,1 1,2 1,3 3.788,4 7.111,5 7.111,6 5.604,7 1,8 1,9 11.659,10 11.659,11 11.659,12 9.425,13 11.483,14 4.179,15 4.179,16 5.65,17 18.578,18 14.305,20 1,21 4.46,22 4.46,23 1,24 42.683,25 1,27 6.46,28 0.338,29 3.316,30 3.316,31 5.316,32 3.316,33 5.232,35 3.484,36 10.761,37 6.771,38 2.06,40 0.92,41 4.563,42 4.563,43 1,44 0.618,45 13.427,46 9.407,47 5.506,48 1.645,49 4.349,50 3.825,51 3.825,52 16.104,53 1.889,54 84.857,55 18.785,56 0.727,57 12.09,58 3.3,59 5.438,60 3,61 0.579,62 1.907,63 6,64 1.034,65 -0.893,66 8.128,67 -0.985,68 1.641,69 6.587}
{0 CHEMBL2037081,1 1,2 1,3 3.795,4 7.111,5 7.111,6 5.604,7 1,8 1,9 11.659,10 11.659,11 11.659,12 9.425,13 11.512,14 4.179,15 4.179,16 5.651,17 18.578,18 14.278,20 1,21 4.46,22 4.46,23 1,24 42.683,25 1,27 6.46,28 0.369,29 3.316,30 3.316,31 5.316,32 3.316,33 5.232,35 3.484,36 10.761,37 6.771,38 2.06,40 0.888,41 4.563,42 4.563,43 1,44 0.677,45 13.427,46 9.43,47 5.506,48 1.638,49 4.349,50 3.825,51 3.825,52 16.104,53 1.879,54 84.857,55 18.785,56 0.727,57 12.09,58 3.3,59 5.428,60 2,61 0.563,62 1.896,63 6,64 1.034,65 -1.116,66 8.128,67 -0.998,68 1.635,69 6.05}
{0 CHEMBL2037082,3 3.401,4 6.5,5 6.5,6 4.233,9 10.163,10 10.163,11 10.163,12 6.187,13 23.031,14 4.036,15 4.036,16 2.396,17 16.961,18 23.708,21 4.001,22 4.001,24 18.011,27 6.001,28 0.289,29 3.069,30 3.069,31 5.069,32 3.069,33 5.13,35 3.067,36 7.297,37 4.39,38 2.101,39 1,40 0.652,41 4.352,42 4.352,43 1,44 0.995,45 8.954,47 4.222,48 1.633,49 3.983,50 2.408,51 2.408,52 10.649,54 113.715,55 12.368,56 0.612,57 7.951,58 1.7,59 5.28,61 0.788,62 1.96,63 6,64 1.162,65 -0.93,66 5.703,67 -1.195,68 1.568,69 5.821}
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{0 CHEMBL2037586,1 1,2 1,3 4.46,4 7.111,5 7.111,6 6.218,7 1,8 1,9 11.659,10 11.659,11 11.659,12 9.425,13 10.872,14 4.177,15 4.177,16 5.644,17 18.593,18 18.494,21 4.613,22 4.613,23 1,24 42.683,25 1,27 6.613,28 0.32,29 3.316,30 3.316,31 5.316,32 3.316,33 5.35,35 4.006,36 11.204,37 6.771,38 2.032,40 0.765,41 4.487,42 4.487,44 0.834,45 13.774,46 8.906,47 7.098,48 1.565,49 4.243,50 3.825,51 3.825,52 16.371,54 104.239,55 18.987,56 0.7,57 12.09,58 1.5,59 5.358,60 3,61 0.376,62 1.988,63 10,64 0.877,65 -0.038,66 8.673,67 -1.045,68 1.58,69 8.319}
{0 CHEMBL2037587,1 1,2 1,3 4.46,4 7.111,5 7.111,6 6.216,7 1,8 1,9 11.659,10 11.659,11 11.659,12 9.425,13 10.853,14 4.177,15 4.177,16 5.685,17 18.6,18 14.636,21 4.613,22 4.613,23 1,24 42.683,25 1,27 6.613,28 0.343,29 3.316,30 3.316,31 5.316,32 3.316,33 5.35,35 3.979,36 11.204,37 6.771,38 2,40 0.892,41 4.49,42 4.49,44 0.842,45 13.774,46 8.884,47 7.098,48 1.516,49 4.314,50 3.825,51 3.825,52 16.371,54 94.762,55 18.987,56 0.7,57 12.09,58 1.6,59 5.367,60 3,61 0.666,62 1.976,63 11,64 0.816,65 -0.328,66 8.673,67 -1.084,68 1.543,69 8.921}
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{0 CHEMBL20392,1 1,2 1,3 3.733,4 7.224,5 7.224,6 5.694,7 1,8 1,9 12.052,10 12.052,11 12.052,12 6.98,13 24.704,14 4.281,15 4.281,16 2.498,17 18.92,18 15.457,20 4,21 4.944,22 4.944,23 1,24 60.694,25 1,27 6.944,28 0.217,29 3.352,30 3.352,31 5.352,32 3.352,33 5.393,34 3,35 3.635,36 10.431,37 4.606,38 2.132,39 1,40 1.33,41 4.438,42 4.438,44 0.93,45 12.853,46 9.384,47 6.739,48 1.673,49 4.008,50 3.412,51 3.412,52 15.283,54 75.81,55 17.715,56 0.956,57 9.519,58 2.5,59 5.438,60 2,61 0.7,62 1.988,63 4,64 1.305,65 0.854,66 8.028,67 -0.945,68 1.688,69 5.959}
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{0 CHEMBL206059,1 1,2 1,3 3.3,4 6.075,5 6.075,6 3.712,7 1,8 1,9 8.802,10 8.802,11 8.802,12 5.889,13 10.936,14 3.806,15 3.806,16 2.472,17 15.066,18 18.242,21 3.718,22 3.718,23 1,24 42.683,25 1,26 1,27 5.718,28 0.297,29 2.887,30 2.887,31 4.887,32 2.887,33 4.9,35 2.639,36 6.85,37 4.112,38 2.053,40 1.218,41 4.255,42 4.255,44 0.896,45 8.526,46 8.983,47 3.925,48 1.312,49 4.012,50 2.341,51 2.341,52 10.216,54 104.239,55 11.912,56 0.504,57 7.625,59 5.174,60 2,61 0.984,62 1.914,63 7,64 1.028,65 -0.422,66 5.215,67 -0.805,68 1.307,69 5.39}
{0 CHEMBL206202,1 1,2 1,3 4.011,4 7.408,5 7.408,6 4.893,7 1,8 1,9 12.812,10 12.812,11 12.812,12 7.87,13 11.432,14 4.407,15 4.407,16 5.535,17 19.691,18 11.339,21 4.273,22 4.273,23 1,24 42.683,25 1,26 1,27 6.273,28 0.208,29 3.407,30 3.407,31 5.407,32 3.407,33 5.493,35 3.266,36 8.977,37 5.692,38 2.073,40 0.844,41 4.484,42 4.484,44 0.601,45 11.131,46 9.383,47 4.604,48 1.504,49 4.077,50 3.02,51 3.02,52 13.31,54 66.334,55 15.502,56 0.696,57 10.037,59 5.403,60 2,61 0.42,62 1.918,63 5,64 1.005,66 6.873,67 -0.814,68 1.539,69 4.155}
{0 CHEMBL2064742,3 3.563,4 6.107,5 6.107,6 4.235,9 8.942,10 8.942,11 8.942,12 6.556,13 33.56,14 3.909,15 3.909,16 2.588,17 15.259,18 16.514,21 3.782,22 3.782,24 17.888,27 5.782,28 0.298,29 2.922,30 2.922,31 4.922,32 2.922,33 4.965,34 2,35 2.82,36 7.797,37 4.506,38 2.033,40 1.174,41 4.324,42 4.324,43 3,44 0.94,45 9.67,47 4.612,48 1.255,49 4.012,50 2.612,51 2.612,52 11.563,54 84.857,55 13.468,56 0.218,57 8.548,58 10.3,59 5.177,61 0.609,62 1.674,63 5,64 0.939,66 5.965,67 -0.437,68 1.221,69 4.678}
{0 CHEMBL2064743,3 3.688,4 7.28,5 7.28,6 3.134,7 1,8 1,9 12.969,10 12.969,11 12.969,12 2.172,13 38.489,14 4.425,15 4.425,16 2.455,17 20.686,18 8.426,20 2,21 4.005,22 4.005,23 1,24 42.683,27 5.973,28 0.428,29 3.461,30 3.461,31 5.461,32 3.461,33 5.579,35 2.442,36 4.944,37 1.552,38 1.812,40 1.325,41 4.714,42 4.714,43 2,44 1.024,45 5.927,46 10.682,47 3.349,48 1.567,49 4.138,50 1.674,51 1.674,52 6.929,54 45.554,55 7.943,56 0.621,57 2.807,58 4.1,59 5.637,61 1.245,62 1.756,63 6,64 1.136,65 -1.017,66 3.999,67 -2.562,68 1.578,69 4.585}
{0 CHEMBL206578,1 1,2 1,3 3.16,4 6.312,5 6.312,6 3.952,7 1,8 1,9 9.701,10 9.701,11 9.701,12 6.111,13 10.758,14 4.001,15 4.001,16 2.698,17 16.181,18 22.467,21 3.63,22 3.63,23 1,24 42.683,25 1,27 5.63,28 0.327,29 3.03,30 3.03,31 5.03,32 3.03,33 5.083,35 2.88,36 7.144,37 4.238,38 2.056,40 0.642,41 4.403,42 4.403,44 0.99,45 8.88,46 8.816,47 4.104,48 1.512,49 4.124,50 2.423,51 2.423,52 10.635,54 113.715,55 12.399,56 0.622,57 7.928,58 3.2,59 5.247,60 3,61 0.471,62 1.975,63 10,64 1.228,66 5.464,67 -1.031,68 1.529,69 6.959}
{0 CHEMBL206794,1 1,2 1,3 3.3,4 7.224,5 7.224,6 3.905,7 1,8 1,9 12.052,10 12.052,11 12.052,12 6.111,13 11.132,14 4.304,15 4.304,16 2.71,17 18.92,18 17.503,21 4.099,22 4.099,23 1,24 42.683,25 1,27 6.099,28 0.258,29 3.352,30 3.352,31 5.352,32 3.352,33 5.405,35 2.812,36 7.14,37 4.238,38 1.992,40 1.364,41 4.438,42 4.438,44 0.861,45 8.878,46 9.118,47 4.104,48 1.29,49 4.012,50 2.423,51 2.423,52 10.635,54 104.239,55 12.399,56 0.469,57 7.928,59 5.356,60 2,61 1.128,62 1.912,63 7,64 1.072,66 5.448,67 -1.044,68 1.308,69 5.622}
{0 CHEMBL206895,1 1,2 1,3 4.46,4 7.111,5 7.111,6 6.206,7 1,8 1,9 11.659,10 11.659,11 11.659,12 10.099,13 10.923,14 4.183,15 4.183,16 5.751,17 18.578,18 18.695,19 1,21 4.46,22 4.46,23 1,24 42.683,25 1,26 1,27 6.46,28 0.307,29 3.317,30 3.317,31 5.317,32 3.317,33 5.246,34 1,35 3.967,36 11.44,37 7.423,38 2.118,40 0.847,41 4.477,42 4.477,43 1,44 0.799,45 14.114,46 8.943,47 5.458,48 1.441,49 4.333,50 3.825,51 3.825,52 16.795,54 132.667,55 19.477,56 0.585,57 12.775,59 5.318,60 1,61 0.902,62 1.99,63 10,64 0.778,66 8.784,67 -1.018,68 1.403,69 6.268}
{0 CHEMBL207019,1 1,2 1,3 3.635,4 7.307,5 7.307,6 5.593,7 1,8 1,9 12.573,10 12.573,11 12.573,12 9.423,13 10.778,14 4.355,15 4.355,16 5.826,17 20.47,18 10.201,19 1,21 4.471,22 4.471,23 1,24 42.683,25 1,26 1,27 6.471,28 0.304,29 3.441,30 3.441,31 5.441,32 3.441,33 5.427,34 1,35 3.489,36 10.759,37 6.77,38 2.054,40 0.527,41 4.746,42 4.746,43 1,44 0.927,45 13.426,46 8.847,47 5.458,48 1.608,49 4.132,50 3.825,51 3.825,52 16.103,53 0.064,54 56.857,55 18.784,56 0.594,57 12.089,58 3.5,59 5.671,61 0.874,62 1.874,63 5,64 1.052,66 8.122,67 -0.871,68 1.553,69 6.509}
{0 CHEMBL207103,1 1,2 1,3 3.635,4 7.307,5 7.307,6 5.592,7 1,8 1,9 12.573,10 12.573,11 12.573,12 9.423,13 10.708,14 4.355,15 4.355,16 5.825,17 20.47,18 10.009,19 1,20 2,21 4.471,22 4.471,23 1,24 60.694,25 1,26 1,27 6.471,28 0.286,29 3.441,30 3.441,31 5.441,32 3.441,33 5.426,34 2,35 3.47,36 10.759,37 6.769,38 2.05,40 0.558,41 4.746,42 4.746,44 0.902,45 13.426,46 8.79,47 5.458,48 1.6,49 4.059,50 3.825,51 3.825,52 16.103,53 0.058,54 56.857,55 18.784,56 0.556,57 12.089,58 3.7,59 5.666,61 0.983,62 1.866,63 5,64 0.988,66 8.122,67 -0.876,68 1.552,69 7.056}
{0 CHEMBL207198,1 1,2 1,3 4.46,4 7.111,5 7.111,6 6.214,7 1,8 1,9 11.659,10 11.659,11 11.659,12 10.1,13 10.63,14 4.183,15 4.183,16 5.742,17 18.578,18 20.512,21 4.46,22 4.46,23 1,24 42.683,25 1,27 6.46,28 0.285,29 3.317,30 3.317,31 5.317,32 3.317,33 5.255,35 3.999,36 11.441,37 7.424,38 2.118,40 0.86,41 4.477,42 4.477,44 0.782,45 14.115,46 8.698,47 5.506,48 1.455,49 4.331,50 3.825,51 3.825,52 16.795,54 142.144,55 19.477,56 0.609,57 12.775,59 5.322,60 2,61 0.888,62 1.974,63 9,64 0.804,66 8.787,67 -1.118,68 1.421,69 6.959}
{0 CHEMBL207318,1 1,2 1,3 3.16,4 6.312,5 6.312,6 3.952,7 1,8 1,9 9.701,10 9.701,11 9.701,12 6.111,13 10.76,14 3.995,15 3.995,16 2.696,17 16.181,18 22.349,21 3.63,22 3.63,23 1,24 42.683,25 1,27 5.63,28 0.327,29 3.03,30 3.03,31 5.03,32 3.03,33 5.082,35 2.88,36 7.144,37 4.238,38 2.05,40 0.669,41 4.403,42 4.403,44 1.021,45 8.88,46 8.818,47 4.104,48 1.511,49 4.124,50 2.423,51 2.423,52 10.635,54 113.715,55 12.399,56 0.598,57 7.928,58 3.2,59 5.247,60 3,61 0.495,62 1.977,63 10,64 1.228,66 5.464,67 -1.029,68 1.529,69 6.678}
{0 CHEMBL207442,1 1,2 1,3 3.636,4 7.307,5 7.307,6 5.593,7 1,8 1,9 12.573,10 12.573,11 12.573,12 9.423,13 10.905,14 4.355,15 4.355,16 5.83,17 20.47,18 10.21,21 4.471,22 4.471,23 1,24 42.683,25 1,26 1,27 6.471,28 0.304,29 3.441,30 3.441,31 5.441,32 3.441,33 5.427,35 3.489,36 10.759,37 6.77,38 2.054,40 0.524,41 4.746,42 4.746,44 0.852,45 13.426,46 8.949,47 5.458,48 1.609,49 4.164,50 3.825,51 3.825,52 16.103,53 0.054,54 56.857,55 18.784,56 0.619,57 12.089,58 3.5,59 5.671,60 1,61 1.198,62 1.873,63 5,64 1.052,66 8.122,67 -0.882,68 1.555,69 7.032}
{0 CHEMBL207449,1 1,2 1,3 4.46,4 7.111,5 7.111,6 6.587,7 1,8 1,9 11.659,10 11.659,11 11.659,12 10.1,13 10.762,14 4.183,15 4.183,16 5.727,17 18.578,18 20.133,21 4.46,22 4.46,23 1,24 42.683,25 1,27 6.46,28 0.297,29 3.317,30 3.317,31 5.317,32 3.317,33 5.3,35 4.295,36 11.69,37 7.424,38 2.116,40 0.817,41 4.477,42 4.477,44 0.757,45 14.305,46 8.809,47 7.098,48 1.437,49 4.332,50 3.825,51 3.825,52 16.937,54 132.667,55 19.583,56 0.681,57 12.775,59 5.322,60 3,61 0.87,62 1.991,63 10,64 0.777,66 9.105,67 -1.088,68 1.473,69 7.523}
{0 CHEMBL207569,1 1,2 1,3 4.46,4 7.224,5 7.224,6 6.214,7 1,8 1,9 12.052,10 12.052,11 12.052,12 10.1,13 11.283,14 4.304,15 4.304,16 5.746,17 18.972,18 20.581,21 4.46,22 4.46,23 1,24 42.683,25 1,27 6.46,28 0.27,29 3.352,30 3.352,31 5.352,32 3.352,33 5.386,35 3.999,36 11.441,37 7.424,38 2.118,40 1.02,41 4.477,42 4.477,44 0.779,45 14.115,46 9.226,47 5.506,48 1.457,49 4.438,50 3.825,51 3.825,52 16.795,54 142.144,55 19.477,56 0.61,57 12.775,59 5.326,60 2,61 0.943,62 1.983,63 9,64 0.829,66 8.787,67 -1.13,68 1.424,69 7.301}
{0 CHEMBL207570,1 1,2 1,3 3.159,4 6.309,5 6.309,6 3.909,7 1,8 1,9 9.689,10 9.689,11 9.689,12 6.111,13 10.721,14 4.019,15 4.019,16 2.669,17 16.156,18 32.503,21 3.63,22 3.63,23 1,24 42.683,25 1,27 5.63,28 0.293,29 3.021,30 3.021,31 5.021,32 3.021,33 5.091,35 2.699,36 7.143,37 4.238,38 2.123,40 0.53,41 4.393,42 4.393,44 0.862,45 8.879,46 8.79,47 4.104,48 1.456,49 4.052,50 2.423,51 2.423,52 10.635,54 151.62,55 12.399,56 0.624,57 7.928,59 5.236,60 3,61 0.332,62 2.003,63 8,64 0.967,66 5.457,67 -1.003,68 1.484,69 6.252}
{0 CHEMBL207811,1 1,2 1,3 4.437,4 6.456,5 6.456,6 6.409,7 1,8 1,9 10.198,10 10.198,11 10.198,12 10.464,13 10.749,14 4.004,15 4.004,16 6.122,17 16.7,18 16.043,21 4.437,22 4.437,23 1,24 42.683,25 1,27 6.437,28 0.297,29 3.143,30 3.143,31 5.143,32 3.143,33 5.092,35 4.107,36 11.858,37 7.677,38 2.048,40 0.517,41 4.407,42 4.407,44 0.625,45 14.64,46 8.792,47 5.712,48 1.533,49 4.22,50 4.032,51 4.032,52 17.426,54 113.715,55 20.214,56 0.594,57 13.247,58 3.2,59 5.251,60 3,61 0.381,62 1.971,63 10,64 0.934,66 9.093,67 -1.13,68 1.478,69 7.398}
{0 CHEMBL207881,1 1,2 1,3 3.098,4 5.688,5 5.688,6 3.667,7 1,8 1,9 8.021,10 8.021,11 8.021,12 5.889,13 10.619,14 3.726,15 3.726,16 2.44,17 13.748,18 25.546,20 2,21 3.6,22 3.6,23 1,24 60.694,25 1,26 1,27 5.6,28 0.242,29 2.765,30 2.765,31 4.765,32 2.765,33 4.779,34 1,35 2.477,36 6.849,37 4.112,38 2.067,40 0.859,41 4.121,42 4.121,44 1.136,45 8.526,46 8.733,47 3.925,48 1.206,49 3.852,50 2.341,51 2.341,52 10.216,54 123.191,55 11.912,56 0.25,57 7.625,58 2.1,59 4.965,60 2,61 0.363,62 1.967,63 5,64 1.04,66 5.207,67 -0.773,68 1.182,69 5.5}
{0 CHEMBL207887,1 1,2 1,3 4.46,4 7.118,5 7.118,6 6.214,7 1,8 1,9 11.702,10 11.702,11 11.702,12 10.1,13 10.743,14 4.198,15 4.198,16 5.8,17 18.752,18 19.004,21 4.46,22 4.46,23 1,24 42.683,25 1,27 6.46,28 0.305,29 3.326,30 3.326,31 5.326,32 3.326,33 5.271,35 3.999,36 11.441,37 7.424,38 2.118,40 0.842,41 4.496,42 4.496,44 0.775,45 14.115,46 8.789,47 5.506,48 1.482,49 4.316,50 3.825,51 3.825,52 16.795,54 132.667,55 19.477,56 0.631,57 12.775,59 5.34,60 3,61 0.749,62 1.992,63 10,64 0.817,66 8.787,67 -1.121,68 1.488,69 6.252}
{0 CHEMBL207907,1 1,2 1,3 3.6,4 7.307,5 7.307,6 5.575,7 1,8 1,9 12.573,10 12.573,11 12.573,12 9.418,13 10.783,14 4.355,15 4.355,16 5.826,17 20.47,18 12.821,20 1,21 4.471,22 4.471,23 1,24 42.683,25 1,26 1,27 6.471,28 0.316,29 3.441,30 3.441,31 5.441,32 3.441,33 5.434,35 3.43,36 10.755,37 6.762,38 2.069,40 0.624,41 4.746,42 4.746,44 0.891,45 13.424,46 8.858,47 5.409,48 1.655,49 4.267,50 3.825,51 3.825,52 16.102,53 2.172,54 65.905,55 18.784,56 0.711,57 12.086,58 3.4,59 5.653,60 2,61 0.976,62 1.9,63 4,64 1.001,66 8.114,67 -0.817,68 1.597,69 7.155}
{0 CHEMBL207957,1 1,2 1,3 3.186,4 6.7,5 6.7,6 3.952,7 1,8 1,9 10.886,10 10.886,11 10.886,12 6.111,13 10.754,14 4.141,15 4.141,16 2.68,17 18.04,18 27.651,21 3.63,22 3.63,23 1,24 42.683,25 1,27 5.63,28 0.324,29 3.142,30 3.142,31 5.142,32 3.142,33 5.213,35 2.88,36 7.144,37 4.238,38 2.117,40 0.587,41 4.502,42 4.502,44 0.969,45 8.88,46 8.816,47 4.104,48 1.522,49 4.045,50 2.423,51 2.423,52 10.635,54 132.667,55 12.399,56 0.629,57 7.928,59 5.344,60 3,61 0.416,62 1.962,63 10,64 1.093,66 5.464,67 -1.013,68 1.537,69 5}
{0 CHEMBL208202,1 1,2 1,3 3.63,4 7.111,5 7.111,6 5.616,7 1,8 1,9 11.659,10 11.659,11 11.659,12 9.425,13 10.813,14 4.178,15 4.178,16 5.66,17 18.566,18 34.29,21 4.46,22 4.46,23 1,24 42.683,25 1,27 6.46,28 0.305,29 3.316,30 3.316,31 5.316,32 3.316,33 5.251,35 3.547,36 10.761,37 6.771,38 2.133,40 0.752,41 4.466,42 4.466,44 0.758,45 13.427,46 8.855,47 5.506,48 1.685,49 4.244,50 3.825,51 3.825,52 16.104,54 180.049,55 18.785,56 0.701,57 12.09,59 5.311,60 3,61 0.762,62 2.003,63 11,64 0.824,66 8.129,67 -1.062,68 1.643,69 7.222}
{0 CHEMBL208203,1 1,2 1,3 4.437,4 6.456,5 6.456,6 6.409,7 1,8 1,9 10.198,10 10.198,11 10.198,12 10.464,13 10.747,14 4.009,15 4.009,16 6.116,17 16.7,18 16.091,21 4.437,22 4.437,23 1,24 42.683,25 1,27 6.437,28 0.297,29 3.143,30 3.143,31 5.143,32 3.143,33 5.094,35 4.107,36 11.858,37 7.677,38 2.054,40 0.512,41 4.407,42 4.407,44 0.622,45 14.64,46 8.79,47 5.712,48 1.533,49 4.22,50 4.032,51 4.032,52 17.426,54 113.715,55 20.214,56 0.607,57 13.247,58 3.2,59 5.251,60 3,61 0.415,62 1.97,63 10,64 0.934,66 9.093,67 -1.132,68 1.487,69 7.046}
{0 CHEMBL208318,1 1,2 1,3 4.437,4 6.456,5 6.456,6 6.409,7 1,8 1,9 10.198,10 10.198,11 10.198,12 10.464,13 10.761,14 4.033,15 4.033,16 6.09,17 16.7,18 20.599,21 4.437,22 4.437,23 1,24 42.683,25 1,27 6.437,28 0.294,29 3.143,30 3.143,31 5.143,32 3.143,33 5.108,35 4.107,36 11.858,37 7.677,38 2.113,40 0.467,41 4.407,42 4.407,44 0.548,45 14.64,46 8.804,47 5.712,48 1.534,49 4.22,50 4.032,51 4.032,52 17.426,54 132.667,55 20.214,56 0.62,57 13.247,59 5.251,60 3,61 0.428,62 1.973,63 10,64 0.862,66 9.093,67 -1.115,68 1.488,69 7.523}
{0 CHEMBL208567,1 1,2 1,3 3.636,4 7.307,5 7.307,6 5.592,7 1,8 1,9 12.573,10 12.573,11 12.573,12 9.423,13 10.869,14 4.355,15 4.355,16 5.841,17 20.47,18 8.051,19 2,21 4.471,22 4.471,23 1,24 42.683,25 1,26 1,27 6.471,28 0.331,29 3.441,30 3.441,31 5.441,32 3.441,33 5.434,34 1,35 3.46,36 10.759,37 6.769,38 2.051,40 0.582,41 4.746,42 4.746,43 2,44 0.926,45 13.426,46 8.915,47 5.458,48 1.607,49 4.267,50 3.825,51 3.825,52 16.103,53 1.408,54 47.381,55 18.784,56 0.557,57 12.089,58 7.4,59 5.653,61 0.912,62 1.87,63 4,64 0.955,66 8.122,67 -0.917,68 1.554,69 7.102}
{0 CHEMBL208711,1 1,2 1,3 3.635,4 7.307,5 7.307,6 5.593,7 1,8 1,9 12.573,10 12.573,11 12.573,12 9.423,13 10.834,14 4.355,15 4.355,16 5.827,17 20.47,18 10.317,19 1,21 4.471,22 4.471,23 1,24 42.683,25 1,26 1,27 6.471,28 0.294,29 3.441,30 3.441,31 5.441,32 3.441,33 5.428,34 2,35 3.489,36 10.759,37 6.77,38 2.057,40 0.526,41 4.746,42 4.746,43 1,44 0.841,45 13.426,46 8.894,47 5.458,48 1.628,49 4.145,50 3.825,51 3.825,52 16.103,53 0.07,54 56.857,55 18.784,56 0.681,57 12.089,58 3.3,59 5.676,61 0.881,62 1.888,63 5,64 1.064,66 8.122,67 -0.868,68 1.56,69 5.066}
{0 CHEMBL208755,1 1,2 1,3 4.46,4 7.112,5 7.112,6 6.214,7 1,8 1,9 11.663,10 11.663,11 11.663,12 10.1,13 10.718,14 4.204,15 4.204,16 5.787,17 18.866,18 16.745,21 4.46,22 4.46,23 1,24 42.683,25 1,27 6.46,28 0.306,29 3.322,30 3.322,31 5.322,32 3.322,33 5.286,35 3.999,36 11.441,37 7.424,38 2.091,40 0.871,41 4.533,42 4.533,44 0.689,45 14.115,46 8.769,47 5.506,48 1.491,49 4.377,50 3.825,51 3.825,52 16.795,54 123.191,55 19.477,56 0.63,57 12.775,58 1.6,59 5.376,60 3,61 0.71,62 1.976,63 10,64 0.852,66 8.787,67 -1.116,68 1.488,69 5}
{0 CHEMBL208967,1 1,2 1,3 3.65,4 7.307,5 7.307,6 5.593,7 1,8 1,9 12.573,10 12.573,11 12.573,12 9.423,13 10.871,14 4.355,15 4.355,16 5.837,17 20.47,18 8.078,19 1,21 4.471,22 4.471,23 1,24 42.683,25 1,26 1,27 6.471,28 0.322,29 3.441,30 3.441,31 5.441,32 3.441,33 5.428,34 1,35 3.489,36 10.759,37 6.77,38 2.048,40 0.567,41 4.746,42 4.746,43 1,44 0.928,45 13.426,46 8.913,47 5.458,48 1.607,49 4.267,50 3.825,51 3.825,52 16.103,53 0.038,54 47.381,55 18.784,56 0.59,57 12.089,58 3.5,59 5.671,61 0.874,62 1.868,63 6,64 1.047,66 8.122,67 -0.948,68 1.552,69 5.854}
{0 CHEMBL209546,1 1,2 1,3 3.245,4 6.559,5 6.559,6 3.839,7 1,8 1,9 10.41,10 10.41,11 10.41,12 6.111,13 11.356,14 4.095,15 4.095,16 2.606,17 17.27,18 19.895,20 1,21 3.788,22 3.788,23 1,24 42.683,25 1,27 5.788,28 0.347,29 3.129,30 3.129,31 5.129,32 3.129,33 5.147,35 2.546,36 7.138,37 4.238,38 2.059,40 0.986,41 4.563,42 4.563,43 1,44 1.056,45 8.878,46 9.313,47 4.104,48 1.601,49 3.957,50 2.423,51 2.423,52 10.635,53 2.114,54 94.334,55 12.399,56 0.727,57 7.928,58 3.7,59 5.406,60 2,61 0.729,62 1.84,63 5,64 1.258,65 -0.83,66 5.437,67 -0.94,68 1.613,69 5.038}
{0 CHEMBL209563,1 1,2 1,3 3.636,4 7.307,5 7.307,6 5.593,7 1,8 1,9 12.573,10 12.573,11 12.573,12 9.423,13 10.889,14 4.355,15 4.355,16 5.828,17 20.47,18 8.48,19 1,21 4.471,22 4.471,23 1,24 42.683,25 1,26 1,27 6.471,28 0.327,29 3.441,30 3.441,31 5.441,32 3.441,33 5.428,34 1,35 3.489,36 10.759,37 6.77,38 2.067,40 0.509,41 4.746,42 4.746,43 1,44 0.906,45 13.426,46 8.938,47 5.458,48 1.626,49 4.267,50 3.825,51 3.825,52 16.103,53 0.065,54 47.381,55 18.784,56 0.683,57 12.089,58 3.3,59 5.672,60 1,61 0.85,62 1.876,63 6,64 1.064,66 8.122,67 -0.867,68 1.565,69 7.409}
{0 CHEMBL209595,1 1,2 1,3 3.644,4 7.111,5 7.111,6 5.601,7 1,8 1,9 11.657,10 11.657,11 11.657,12 9.423,13 23.572,14 4.227,15 4.227,16 5.68,17 19.048,18 8.82,20 2,21 4.46,22 4.46,23 1,24 60.694,25 1,26 1,27 6.46,28 0.332,29 3.313,30 3.313,31 5.313,32 3.313,33 5.3,35 3.528,36 10.759,37 6.769,38 2.01,40 0.949,41 4.598,42 4.598,43 2,44 0.707,45 13.426,46 8.906,47 5.458,48 1.467,49 4.163,50 3.825,51 3.825,52 16.103,54 66.334,55 18.784,56 0.387,57 12.089,58 3.9,59 5.523,60 2,61 0.987,62 1.807,63 8,64 0.935,66 8.123,67 -1.514,68 1.399,69 5}
{0 CHEMBL209749,1 1,2 1,3 3.288,4 6.566,5 6.566,6 3.839,7 1,8 1,9 10.435,10 10.435,11 10.435,12 6.111,13 11.369,14 4.105,15 4.105,16 2.615,17 17.347,18 17.427,20 1,21 3.788,22 3.788,23 1,24 42.683,25 1,27 5.788,28 0.364,29 3.141,30 3.141,31 5.141,32 3.141,33 5.158,35 2.546,36 7.138,37 4.238,38 2.059,40 0.956,41 4.565,42 4.565,43 1,44 1.078,45 8.878,46 9.321,47 4.104,48 1.601,49 4.061,50 2.423,51 2.423,52 10.635,53 2.069,54 84.857,55 12.399,56 0.727,57 7.928,58 3.7,59 5.408,60 2,61 0.707,62 1.84,63 6,64 1.257,65 -0.842,66 5.437,67 -0.949,68 1.613,69 5.337}
{0 CHEMBL210017,1 1,2 1,3 3.795,4 7.111,5 7.111,6 5.604,7 1,8 1,9 11.659,10 11.659,11 11.659,12 9.425,13 11.512,14 4.179,15 4.179,16 5.651,17 18.578,18 14.278,20 1,21 4.46,22 4.46,23 1,24 42.683,25 1,27 6.46,28 0.369,29 3.316,30 3.316,31 5.316,32 3.316,33 5.232,35 3.484,36 10.761,37 6.771,38 2.06,40 0.888,41 4.563,42 4.563,43 1,44 0.677,45 13.427,46 9.43,47 5.506,48 1.638,49 4.349,50 3.825,51 3.825,52 16.104,53 1.879,54 84.857,55 18.785,56 0.727,57 12.09,58 3.3,59 5.428,60 2,61 0.563,62 1.896,63 6,64 1.034,65 -1.116,66 8.128,67 -0.998,68 1.635,69 5.658}
{0 CHEMBL210057,1 1,2 1,3 3.637,4 7.039,5 7.039,6 3.846,7 1,8 1,9 12.054,10 12.054,11 12.054,12 6.055,13 24.758,14 4.304,15 4.304,16 2.642,17 19.592,18 18.841,21 3.736,22 3.736,23 1,24 42.683,25 1,26 1,27 5.736,28 0.353,29 3.315,30 3.315,31 5.315,32 3.315,33 5.38,35 2.698,36 7.048,37 4.227,38 2.03,40 1.024,41 4.661,42 4.661,43 2,44 1.096,45 8.767,46 9.078,47 4.03,48 1.508,49 4.228,50 2.397,51 2.397,52 10.503,54 104.239,55 12.247,56 0.634,57 7.839,58 3.4,59 5.589,60 2,61 0.786,62 1.923,63 10,64 1.112,66 5.377,67 -1.331,68 1.497,69 5.435}
{0 CHEMBL210163,1 1,2 1,3 3.261,4 6.559,5 6.559,6 3.839,7 1,8 1,9 10.412,10 10.412,11 10.412,12 6.111,13 11.379,14 4.098,15 4.098,16 2.622,17 17.273,18 15.097,20 1,21 3.788,22 3.788,23 1,24 42.683,25 1,27 5.788,28 0.379,29 3.132,30 3.132,31 5.132,32 3.132,33 5.151,35 2.546,36 7.138,37 4.238,38 2.059,40 0.916,41 4.563,42 4.563,43 1,44 1.051,45 8.878,46 9.328,47 4.104,48 1.601,49 4.089,50 2.423,51 2.423,52 10.635,53 2.04,54 75.381,55 12.399,56 0.727,57 7.928,58 3.7,59 5.407,60 2,61 0.956,62 1.84,63 7,64 1.256,65 -0.851,66 5.437,67 -0.956,68 1.613,69 5.854}
{0 CHEMBL210469,1 1,2 1,3 4.46,4 7.111,5 7.111,6 6.214,7 1,8 1,9 11.659,10 11.659,11 11.659,12 10.1,13 10.742,14 4.183,15 4.183,16 5.744,17 18.578,18 19.163,21 4.46,22 4.46,23 1,24 42.683,25 1,27 6.46,28 0.305,29 3.317,30 3.317,31 5.317,32 3.317,33 5.256,35 3.999,36 11.441,37 7.424,38 2.119,40 0.834,41 4.477,42 4.477,44 0.739,45 14.115,46 8.789,47 5.506,48 1.484,49 4.332,50 3.825,51 3.825,52 16.795,54 132.667,55 19.477,56 0.632,57 12.775,59 5.322,60 3,61 0.869,62 1.992,63 10,64 0.817,66 8.787,67 -1.114,68 1.489,69 8}
{0 CHEMBL210613,1 1,2 1,3 3.636,4 7.307,5 7.307,6 5.592,7 1,8 1,9 12.573,10 12.573,11 12.573,12 9.423,13 10.885,14 4.355,15 4.355,16 5.834,17 20.47,18 9.935,19 1,21 4.471,22 4.471,23 1,24 42.683,25 1,26 1,27 6.471,28 0.329,29 3.441,30 3.441,31 5.441,32 3.441,33 5.439,34 1,35 3.46,36 10.759,37 6.769,38 2.052,40 0.554,41 4.746,42 4.746,43 1,44 0.908,45 13.426,46 8.931,47 5.458,48 1.608,49 4.267,50 3.825,51 3.825,52 16.103,53 1.652,54 47.381,55 18.784,56 0.564,57 12.089,58 5.5,59 5.653,61 0.965,62 1.881,63 4,64 1.04,66 8.122,67 -0.897,68 1.557,69 5.745}
{0 CHEMBL210768,1 1,2 1,3 3.637,4 7.307,5 7.307,6 5.596,7 1,8 1,9 12.573,10 12.573,11 12.573,12 9.423,13 10.761,14 4.355,15 4.355,16 5.846,17 20.47,18 7.582,19 1,21 4.471,22 4.471,23 1,24 42.683,25 1,26 1,27 6.471,28 0.307,29 3.441,30 3.441,31 5.441,32 3.441,33 5.448,34 1,35 3.505,36 10.759,37 6.769,38 2.046,40 0.612,41 4.746,42 4.746,43 1,44 0.891,45 13.426,46 8.822,47 5.458,48 1.589,49 4.248,50 3.825,51 3.825,52 16.103,53 -0.001,54 47.381,55 18.784,56 0.555,57 12.089,58 1.9,59 5.668,60 1,61 0.95,62 1.856,63 6,64 0.962,66 8.123,67 -0.951,68 1.548,69 8.398}
{0 CHEMBL210873,1 1,2 1,3 3.161,4 6.316,5 6.316,6 3.927,7 1,8 1,9 9.708,10 9.708,11 9.708,12 6.112,13 10.809,14 4.033,15 4.033,16 2.673,17 16.204,18 29.048,21 3.63,22 3.63,23 1,24 42.683,25 1,27 5.63,28 0.347,29 3.037,30 3.037,31 5.037,32 3.037,33 5.106,35 2.82,36 7.143,37 4.247,38 2.121,40 0.534,41 4.407,42 4.407,44 0.92,45 8.879,46 8.862,47 4.104,48 1.663,49 4.166,50 2.423,51 2.423,52 10.635,54 132.667,55 12.399,56 0.779,57 7.928,58 2.8,59 5.251,60 3,61 0.391,62 2.004,63 10,64 1.279,66 5.459,67 -1.006,68 1.661,69 6.31}
{0 CHEMBL210917,1 1,2 1,3 3.636,4 7.307,5 7.307,6 5.592,7 1,8 1,9 12.573,10 12.573,11 12.573,12 9.423,13 10.89,14 4.355,15 4.355,16 5.835,17 20.47,18 9.978,19 2,21 4.471,22 4.471,23 1,24 42.683,25 1,26 1,27 6.471,28 0.329,29 3.441,30 3.441,31 5.441,32 3.441,33 5.434,34 1,35 3.46,36 10.759,37 6.769,38 2.057,40 0.561,41 4.746,42 4.746,43 2,44 0.893,45 13.426,46 8.936,47 5.458,48 1.613,49 4.267,50 3.825,51 3.825,52 16.103,53 1.787,54 47.381,55 18.784,56 0.565,57 12.089,58 5.5,59 5.653,61 0.907,62 1.876,63 4,64 0.971,66 8.122,67 -0.889,68 1.563,69 7.62}
{0 CHEMBL210973,1 1,2 1,3 3.635,4 7.307,5 7.307,6 5.596,7 1,8 1,9 12.573,10 12.573,11 12.573,12 9.423,13 10.693,14 4.355,15 4.355,16 5.833,17 20.47,18 9.626,19 1,21 4.471,22 4.471,23 1,24 42.683,25 1,26 1,27 6.471,28 0.287,29 3.441,30 3.441,31 5.441,32 3.441,33 5.445,34 1,35 3.505,36 10.759,37 6.769,38 2.046,40 0.595,41 4.746,42 4.746,43 1,44 0.885,45 13.426,46 8.775,47 5.458,48 1.596,49 4.059,50 3.825,51 3.825,52 16.103,53 0.03,54 56.857,55 18.784,56 0.556,57 12.089,58 1.9,59 5.666,61 0.957,62 1.857,63 5,64 0.967,66 8.123,67 -0.897,68 1.552,69 8.097}
{0 CHEMBL211047,1 1,2 1,3 3.16,4 6.312,5 6.312,6 3.952,7 1,8 1,9 9.701,10 9.701,11 9.701,12 6.111,13 10.772,14 4.027,15 4.027,16 2.681,17 16.181,18 27.678,21 3.63,22 3.63,23 1,24 42.683,25 1,27 5.63,28 0.324,29 3.03,30 3.03,31 5.03,32 3.03,33 5.1,35 2.88,36 7.144,37 4.238,38 2.114,40 0.597,41 4.403,42 4.403,44 0.889,45 8.88,46 8.83,47 4.104,48 1.513,49 4.124,50 2.423,51 2.423,52 10.635,54 132.667,55 12.399,56 0.63,57 7.928,59 5.247,60 3,61 0.383,62 1.978,63 10,64 1.093,66 5.464,67 -1.015,68 1.53,69 6.456}
{0 CHEMBL21105,1 1,2 1,3 3.733,4 7.224,5 7.224,6 5.694,7 1,8 1,9 12.052,10 12.052,11 12.052,12 6.98,13 25.046,14 4.281,15 4.281,16 2.516,17 18.92,18 32.371,20 5,21 4.944,22 4.944,23 1,24 60.694,25 1,27 6.944,28 0.264,29 3.352,30 3.352,31 5.352,32 3.352,33 5.393,34 2,35 3.635,36 10.431,37 4.606,38 2.106,39 1,40 1.458,41 4.438,42 4.438,44 1.007,45 12.853,46 9.435,47 6.739,48 1.759,49 4.244,50 3.412,51 3.412,52 15.283,54 151.62,55 17.715,56 0.909,57 9.519,58 2.5,59 5.359,60 2,61 0.695,62 2.016,63 8,64 1.14,66 8.028,67 -1.034,68 1.758,69 5}
{0 CHEMBL2112051,1 1,2 1,3 2.954,4 5.968,5 5.968,6 3.909,7 1,8 1,9 8.443,10 8.443,11 8.443,12 6.111,13 11.111,14 3.78,15 3.78,16 2.617,17 14.265,18 17.123,21 3.788,22 3.788,23 1,24 42.683,25 1,27 5.788,28 0.203,29 2.808,30 2.808,31 4.808,32 2.808,33 4.825,35 2.699,36 7.143,37 4.238,38 2.037,40 1.097,41 4.127,42 4.127,43 1,44 1.07,45 8.879,46 9.112,47 4.104,48 1.315,49 3.852,50 2.423,51 2.423,52 10.635,54 104.239,55 12.399,56 0.299,57 7.928,59 4.975,60 2,61 0.35,62 1.823,63 3,64 1.088,65 -0.821,66 5.457,67 -0.95,68 1.308,69 5.161}
{0 CHEMBL2112052,1 1,2 1,3 2.947,4 5.968,5 5.968,6 3.909,7 1,8 1,9 8.443,10 8.443,11 8.443,12 6.111,13 11.095,14 3.78,15 3.78,16 2.608,17 14.265,18 17.447,21 3.788,22 3.788,23 1,24 42.683,25 1,27 5.788,28 0.221,29 2.808,30 2.808,31 4.808,32 2.808,33 4.825,35 2.699,36 7.143,37 4.238,38 2.05,40 1.025,41 4.078,42 4.078,43 1,44 0.942,45 8.879,46 9.1,47 4.104,48 1.251,49 3.851,50 2.423,51 2.423,52 10.635,54 104.239,55 12.399,56 0.312,57 7.928,59 4.926,60 2,61 0.28,62 1.819,63 3,64 1.145,65 -0.81,66 5.457,67 -0.941,68 1.223,69 4.745}
{0 CHEMBL2112993,1 2,2 2,3 3.788,4 5.968,5 5.968,6 4.592,7 2,8 2,9 8.443,10 8.443,11 8.443,12 6.803,13 22.501,14 3.78,15 3.78,16 2.639,17 14.265,18 22.204,21 3.788,22 3.788,23 2,24 85.367,25 2,27 5.788,28 0.231,29 2.808,30 2.808,31 4.808,32 2.808,33 4.83,35 3.358,36 7.836,37 4.924,38 2.038,40 1.056,41 4.218,42 4.218,43 2,44 1.051,45 9.573,46 18.443,47 4.104,48 1.744,49 4.077,50 2.423,51 2.423,52 11.328,54 151.62,55 13.092,56 0.9,57 8.62,59 5.065,60 4,61 0.318,62 2.022,63 6,64 1.115,65 -1.714,66 6.148,67 -1.944,68 1.762,69 5.658}
{0 CHEMBL2112994,1 2,2 2,3 3.788,4 5.968,5 5.968,6 4.592,7 2,8 2,9 8.443,10 8.443,11 8.443,12 6.803,13 22.393,14 3.78,15 3.78,16 2.643,17 14.265,18 14.435,21 3.788,22 3.788,23 2,24 85.367,25 2,27 5.788,28 0.214,29 2.808,30 2.808,31 4.808,32 2.808,33 4.833,35 3.358,36 7.836,37 4.924,38 2.035,40 1.044,41 4.079,42 4.079,43 2,44 1.048,45 9.573,46 18.354,47 4.104,48 1.712,49 4.058,50 2.423,51 2.423,52 11.328,54 113.715,55 13.092,56 0.894,57 8.62,59 4.926,60 4,61 0.27,62 1.85,63 4,64 1.181,65 -1.717,66 6.148,67 -1.953,68 1.734,69 4.824}
{0 CHEMBL2112996,1 2,2 2,3 3.788,4 5.968,5 5.968,6 4.617,7 2,8 2,9 8.443,10 8.443,11 8.443,12 6.803,13 22.587,14 3.78,15 3.78,16 2.638,17 14.265,18 22.369,21 3.788,22 3.788,23 2,24 85.367,25 2,27 5.788,28 0.265,29 2.808,30 2.808,31 4.808,32 2.808,33 4.832,35 3.461,36 7.836,37 4.924,38 2.041,40 1.029,41 4.266,42 4.266,43 2,44 1.126,45 9.573,46 18.513,47 4.104,48 1.784,49 4.078,50 2.423,51 2.423,52 11.328,54 132.667,55 13.092,56 0.949,57 8.62,59 5.114,60 4,61 0.288,62 2.025,63 6,64 1.133,65 -1.72,66 6.152,67 -0.186,68 1.791,69 5.745}
{0 CHEMBL2112997,1 2,2 2,3 3.788,4 6.15,5 6.15,6 4.617,7 2,8 2,9 9.081,10 9.081,11 9.081,12 6.803,13 22.655,14 3.892,15 3.892,16 2.636,17 15.171,18 30.931,21 3.788,22 3.788,23 2,24 85.367,25 2,27 5.788,28 0.273,29 2.892,30 2.892,31 4.892,32 2.892,33 4.943,35 3.461,36 7.836,37 4.924,38 2.092,40 1.008,41 4.314,42 4.314,43 2,44 1.091,45 9.573,46 18.569,47 4.104,48 1.814,49 4.093,50 2.423,51 2.423,52 11.328,54 170.572,55 13.092,56 0.954,57 8.62,59 5.162,60 4,61 0.324,62 2.035,63 8,64 1.085,65 -1.719,66 6.152,67 -0.154,68 1.811,69 5.387}
{0 CHEMBL2112999,1 1,2 1,3 2.934,4 5.968,5 5.968,6 3.859,7 1,8 1,9 8.443,10 8.443,11 8.443,12 6.111,13 11.11,14 3.78,15 3.78,16 2.604,17 14.265,18 17.62,21 3.788,22 3.788,23 1,24 42.683,25 1,27 5.788,28 0.211,29 2.808,30 2.808,31 4.808,32 2.808,33 4.825,35 2.617,36 7.139,37 4.238,38 2.054,40 1.013,41 4.077,42 4.077,43 1,44 0.988,45 8.878,46 9.113,47 4.104,48 1.338,49 3.851,50 2.423,51 2.423,52 10.635,54 104.239,55 12.399,56 0.482,57 7.928,59 4.936,60 2,61 0.294,62 1.834,63 3,64 1.161,65 -0.806,66 5.441,67 -0.938,68 1.346,69 4.721}
{0 CHEMBL2113000,1 2,2 2,3 3.788,4 6.185,5 6.185,6 4.592,7 2,8 2,9 9.169,10 9.169,11 9.169,12 6.803,13 22.689,14 3.941,15 3.941,16 2.629,17 15.401,18 31.789,21 3.788,22 3.788,23 2,24 85.367,25 2,27 5.788,28 0.296,29 2.941,30 2.941,31 4.941,32 2.941,33 4.995,35 3.358,36 7.836,37 4.924,38 2.112,40 0.918,41 4.322,42 4.322,43 2,44 1.009,45 9.573,46 18.599,47 4.104,48 1.806,49 4.079,50 2.423,51 2.423,52 11.328,54 170.572,55 13.092,56 0.954,57 8.62,59 5.17,60 4,61 0.265,62 2.033,63 8,64 1.139,65 -1.705,66 6.148,67 0.292,68 1.801,69 5.678}
{0 CHEMBL2113263,1 1,2 1,3 3.283,4 6.546,5 6.546,6 3.685,7 1,8 1,9 10.357,10 10.357,11 10.357,12 5.889,13 11.076,14 4.092,15 4.092,16 2.396,17 17.144,18 12.606,21 3.63,22 3.63,23 1,24 42.683,25 1,26 1,27 5.63,28 0.313,29 3.095,30 3.095,31 5.095,32 3.095,33 5.206,35 2.527,36 6.85,37 4.112,38 2.047,40 0.84,41 4.451,42 4.451,44 1.073,45 8.526,46 9.109,47 3.925,48 1.727,49 4.208,50 2.341,51 2.341,52 10.216,54 56.857,55 11.912,56 0.996,57 7.625,58 1.4,59 5.394,60 2,61 0.384,62 2.002,63 9,64 1.113,65 0.129,66 5.21,67 -0.73,68 1.763,69 8.653}
{0 CHEMBL211371,1 1,2 1,3 3.258,4 6.566,5 6.566,6 3.839,7 1,8 1,9 10.435,10 10.435,11 10.435,12 6.111,13 11.377,14 4.111,15 4.111,16 2.606,17 17.347,18 18.113,20 1,21 3.788,22 3.788,23 1,24 42.683,25 1,27 5.788,28 0.369,29 3.141,30 3.141,31 5.141,32 3.141,33 5.163,35 2.546,36 7.138,37 4.238,38 2.059,40 0.942,41 4.565,42 4.565,43 1,44 1.2,45 8.878,46 9.33,47 4.104,48 1.601,49 4.061,50 2.423,51 2.423,52 10.635,53 2.116,54 84.857,55 12.399,56 0.727,57 7.928,58 3.5,59 5.408,60 2,61 0.658,62 1.84,63 6,64 1.266,65 -0.831,66 5.437,67 -0.939,68 1.613,69 5.187}
{0 CHEMBL211473,1 1,2 1,3 3.632,4 7,5 7,6 3.824,7 1,8 1,9 11.926,10 11.926,11 11.926,12 6.05,13 24.351,14 4.283,15 4.283,16 2.645,17 19.451,18 18.717,20 2,21 3.646,22 3.646,23 1,24 60.694,25 1,26 1,27 5.646,28 0.341,29 3.294,30 3.294,31 5.294,32 3.294,33 5.358,35 2.654,36 7.046,37 4.213,38 2.029,40 0.881,41 4.648,42 4.648,43 2,44 0.985,45 8.766,46 9.046,47 4.03,48 1.503,49 4.228,50 2.397,51 2.397,52 10.503,54 104.239,55 12.247,56 0.548,57 7.838,58 3.6,59 5.576,60 2,61 0.813,62 1.92,63 10,64 1.007,66 5.368,67 -1.421,68 1.474,69 7.097}
{0 CHEMBL211513,1 1,2 1,3 3.249,4 6.559,5 6.559,6 3.839,7 1,8 1,9 10.411,10 10.411,11 10.411,12 6.111,13 11.367,14 4.096,15 4.096,16 2.614,17 17.271,18 17.401,20 1,21 3.788,22 3.788,23 1,24 42.683,25 1,27 5.788,28 0.364,29 3.13,30 3.13,31 5.13,32 3.13,33 5.148,35 2.546,36 7.138,37 4.238,38 2.059,40 0.974,41 4.563,42 4.563,43 1,44 1.054,45 8.878,46 9.32,47 4.104,48 1.601,49 4.005,50 2.423,51 2.423,52 10.635,53 2.077,54 84.857,55 12.399,56 0.727,57 7.928,58 3.7,59 5.406,60 2,61 0.848,62 1.84,63 6,64 1.257,65 -0.841,66 5.437,67 -0.948,68 1.613,69 5.62}
{0 CHEMBL211839,1 1,2 1,3 3.253,4 6.559,5 6.559,6 3.885,7 1,8 1,9 10.412,10 10.412,11 10.412,12 6.111,13 11.414,14 4.1,15 4.1,16 2.62,17 17.274,18 15.466,20 1,21 3.788,22 3.788,23 1,24 42.683,25 1,27 5.788,28 0.373,29 3.133,30 3.133,31 5.133,32 3.133,33 5.153,35 2.754,36 7.139,37 4.238,38 2.059,40 0.948,41 4.563,42 4.563,43 1,44 0.971,45 8.878,46 9.357,47 4.104,48 1.602,49 4.117,50 2.423,51 2.423,52 10.635,53 2.052,54 75.381,55 12.399,56 0.727,57 7.928,58 3.2,59 5.407,60 2,61 0.818,62 1.84,63 7,64 1.367,65 -0.851,66 5.444,67 -0.953,68 1.613,69 5.62}
{0 CHEMBL211963,3 3.7,4 7.119,5 7.119,6 5.643,9 11.707,10 11.707,11 11.707,12 9.435,13 11.042,14 4.198,15 4.198,16 5.616,17 18.715,18 10.336,21 4.461,22 4.461,27 6.461,28 0.222,29 3.329,30 3.329,31 5.329,32 3.329,33 5.291,35 3.597,36 10.771,37 6.783,38 2.048,40 1.053,41 4.486,42 4.486,44 1.053,45 13.432,47 5.593,48 1.442,49 4.042,50 3.825,51 3.825,52 16.106,54 66.334,55 18.786,56 0.555,57 12.096,59 5.407,61 1.422,62 1.851,63 5,64 1.072,66 8.146,67 -0.467,68 1.436,69 7.009}
{0 CHEMBL212023,1 1,2 1,3 3.601,4 6.631,5 6.631,6 3.685,7 1,8 1,9 10.552,10 10.552,11 10.552,12 5.889,13 24.127,14 4.109,15 4.109,16 2.463,17 17.717,18 20.955,21 3.627,22 3.627,23 1,24 42.683,25 1,26 1,27 5.627,28 0.291,29 3.109,30 3.109,31 5.109,32 3.109,33 5.199,35 2.527,36 6.85,37 4.112,38 2.074,40 1.03,41 4.456,42 4.456,44 0.985,45 8.526,46 8.914,47 3.925,48 1.659,49 3.974,50 2.341,51 2.341,52 10.216,54 104.239,55 11.912,56 0.924,57 7.625,59 5.382,60 3,61 0.547,62 1.994,63 7,64 1.142,65 -0.083,66 5.21,67 -0.833,68 1.686,69 7.284}
{0 CHEMBL21241,1 1,2 1,3 3.733,4 7.224,5 7.224,6 5.691,7 1,8 1,9 12.052,10 12.052,11 12.052,12 6.98,13 24.569,14 4.281,15 4.281,16 2.477,17 18.92,18 8.143,20 4,21 4.944,22 4.944,23 1,24 60.694,25 1,27 6.944,28 0.198,29 3.352,30 3.352,31 5.352,32 3.352,33 5.393,34 3,35 3.595,36 10.431,37 4.606,38 2.132,39 1,40 1.339,41 4.438,42 4.438,44 0.983,45 12.853,46 9.37,47 6.739,48 1.682,49 3.951,50 3.412,51 3.412,52 15.283,54 37.905,55 17.715,56 0.958,57 9.519,58 2.5,59 5.438,60 2,61 0.595,62 2.035,63 2,64 1.35,65 1.227,66 8.028,67 -0.709,68 1.695,69 5.208}
{0 CHEMBL212591,1 1,2 1,3 3.27,4 6.223,5 6.223,6 3.696,7 1,8 1,9 9.4,10 9.4,11 9.4,12 5.889,13 10.795,14 3.93,15 3.93,16 2.444,17 15.836,18 22.801,21 3.601,22 3.601,23 1,24 42.683,25 1,26 1,27 5.601,28 0.284,29 2.955,30 2.955,31 4.955,32 2.955,33 5.017,35 2.599,36 6.85,37 4.112,38 2.098,40 0.825,41 4.298,42 4.298,44 0.952,45 8.526,46 8.875,47 3.925,48 1.615,49 3.868,50 2.341,51 2.341,52 10.216,54 104.239,55 11.912,56 0.868,57 7.625,59 5.221,60 3,61 0.352,62 1.988,63 7,64 1.135,65 0.017,66 5.211,67 -0.778,68 1.654,69 7.155}
{0 CHEMBL212808,1 1,2 1,3 3.583,4 6.354,5 6.354,6 3.986,7 1,8 2,9 9.494,10 9.494,11 9.494,12 6.111,13 21.667,14 3.959,15 3.959,16 2.699,17 15.98,18 11.216,21 3.627,22 3.627,23 2,24 85.367,25 1,27 5.627,28 0.296,29 2.967,30 2.967,31 4.967,32 2.967,33 5.047,35 2.914,36 7.15,37 4.238,38 1.994,40 0.67,41 4.339,42 4.339,44 0.819,45 8.882,46 18.277,47 4.104,48 1.269,49 3.699,50 2.423,51 2.423,52 10.636,54 66.334,55 12.399,56 0.449,57 7.928,59 5.255,60 2,61 0.789,62 1.831,63 5,64 1.204,66 5.481,67 -1.239,68 1.257,69 5}
{0 CHEMBL212813,1 1,2 1,3 3.788,4 7.111,5 7.111,6 5.604,7 1,8 1,9 11.659,10 11.659,11 11.659,12 9.425,13 11.421,14 4.185,15 4.185,16 5.652,17 18.649,18 12.515,20 1,21 4.46,22 4.46,23 1,24 42.683,25 1,27 6.46,28 0.369,29 3.316,30 3.316,31 5.316,32 3.316,33 5.238,34 1,35 3.484,36 10.761,37 6.771,38 2.059,40 0.887,41 4.642,42 4.642,43 1,44 0.693,45 13.427,46 9.356,47 5.506,48 1.607,49 4.35,50 3.825,51 3.825,52 16.104,53 1.915,54 75.81,55 18.785,56 0.815,57 12.09,58 3.3,59 5.485,60 2,61 0.523,62 1.871,63 7,64 1.034,65 -0.901,66 8.128,67 -0.994,68 1.62,69 6.429}
{0 CHEMBL212911,1 1,2 1,3 3.601,4 6.63,5 6.63,6 3.685,7 1,8 1,9 10.547,10 10.547,11 10.547,12 5.889,13 23.916,14 4.108,15 4.108,16 2.466,17 17.708,18 20.763,21 3.626,22 3.626,23 1,24 42.683,25 1,26 1,27 5.626,28 0.309,29 3.108,30 3.108,31 5.108,32 3.108,33 5.196,35 2.527,36 6.85,37 4.112,38 2.072,40 1.032,41 4.456,42 4.456,44 0.987,45 8.526,46 8.87,47 3.925,48 1.612,49 3.973,50 2.341,51 2.341,52 10.216,54 104.239,55 11.912,56 0.837,57 7.625,59 5.379,60 3,61 0.401,62 1.986,63 7,64 1.118,65 -0.147,66 5.21,67 -0.848,68 1.646,69 8.301}
{0 CHEMBL212993,3 3.61,4 6.704,5 6.704,6 4.14,8 1,9 10.731,10 10.731,11 10.731,12 6.347,13 22.624,14 4.114,15 4.114,16 2.114,17 18.051,18 8.382,21 3.7,22 3.7,23 1,24 42.683,27 5.7,28 0.291,29 3.143,30 3.143,31 5.143,32 3.143,33 5.21,35 2.991,36 7.448,37 4.378,38 2.006,40 0.986,41 4.503,42 4.503,43 1,44 0.897,45 9.249,46 10.304,47 4.281,48 1.565,49 3.851,50 2.513,51 2.513,52 11.073,54 37.905,55 12.908,56 0.687,57 8.245,58 1.8,59 5.425,61 0.889,62 1.845,63 6,64 1.416,66 5.709,67 -0.733,68 1.583,69 7.086}
{0 CHEMBL213132,3 3.139,4 6.137,5 6.137,6 4.051,9 9.03,10 9.03,11 9.03,12 6.347,13 11.031,14 3.813,15 3.813,16 2.078,17 15.106,18 15.298,21 3.7,22 3.7,27 5.7,28 0.205,29 2.844,30 2.844,31 4.844,32 2.844,33 4.904,35 2.812,36 7.439,37 4.378,38 2.055,40 1.161,41 4.196,42 4.196,44 0.99,45 9.246,47 4.281,48 1.414,49 3.654,50 2.513,51 2.513,52 11.073,54 75.81,55 12.908,56 0.555,57 8.245,59 5.116,61 0.494,62 1.852,63 4,64 1.347,66 5.679,67 -0.411,68 1.435,69 5.98}
{0 CHEMBL213314,1 1,2 1,3 3.623,4 7.224,5 7.224,6 3.882,7 1,8 1,9 12.052,10 12.052,11 12.052,12 6.111,13 24.193,14 4.304,15 4.304,16 2.703,17 19.186,18 21.722,21 4.099,22 4.099,23 1,24 42.683,25 1,27 6.099,28 0.25,29 3.352,30 3.352,31 5.352,32 3.352,33 5.4,35 2.719,36 7.139,37 4.238,38 2.07,40 1.578,41 4.452,42 4.452,44 1,45 8.878,46 9.158,47 4.104,48 1.611,49 4,50 2.423,51 2.423,52 10.635,54 113.715,55 12.399,56 0.836,57 7.928,59 5.375,60 2,61 0.584,62 1.983,63 6,64 1.153,66 5.444,67 -1.096,68 1.645,69 7.328}
{0 CHEMBL213315,1 1,2 1,3 3.601,4 7.119,5 7.119,6 5.583,7 1,8 1,9 11.709,10 11.709,11 11.709,12 9.418,13 10.766,14 4.197,15 4.197,16 5.756,17 18.725,18 17.178,21 4.461,22 4.461,23 1,24 42.683,25 1,26 1,27 6.461,28 0.281,29 3.33,30 3.33,31 5.33,32 3.33,33 5.298,35 3.522,36 10.755,37 6.762,38 2.063,40 0.922,41 4.491,42 4.491,43 1,44 0.978,45 13.424,46 8.84,47 5.409,48 1.488,49 4.123,50 3.825,51 3.825,52 16.102,54 104.239,55 18.784,56 0.692,57 12.086,59 5.414,60 3,61 1.097,62 1.956,63 7,64 0.964,65 -0.36,66 8.114,67 -0.843,68 1.506,69 8.301}
{0 CHEMBL213355,1 1,2 1,3 3.63,4 7.119,5 7.119,6 5.611,7 1,8 1,9 11.707,10 11.707,11 11.707,12 9.425,13 10.563,14 4.198,15 4.198,16 5.624,17 18.715,18 8.61,21 4.461,22 4.461,23 1,24 42.683,25 1,27 6.461,28 0.259,29 3.329,30 3.329,31 5.329,32 3.329,33 5.289,35 3.556,36 10.761,37 6.771,38 2.048,40 0.839,41 4.486,42 4.486,44 0.969,45 13.427,46 8.654,47 5.506,48 1.451,49 4.073,50 3.825,51 3.825,52 16.104,54 56.857,55 18.785,56 0.597,57 12.09,59 5.407,60 3,61 1.31,62 1.854,63 6,64 1.032,66 8.128,67 -1.051,68 1.464,69 8.155}
{0 CHEMBL213361,1 1,2 1,3 3.599,4 7.253,5 7.253,6 5.583,7 1,8 1,9 12.272,10 12.272,11 12.272,12 9.418,13 10.734,14 4.27,15 4.27,16 5.868,17 19.768,18 17.675,21 4.472,22 4.472,23 1,24 42.683,25 1,26 1,27 6.472,28 0.277,29 3.385,30 3.385,31 5.385,32 3.385,33 5.373,35 3.522,36 10.755,37 6.762,38 2.036,40 0.932,41 4.558,42 4.558,43 1,44 0.915,45 13.424,46 8.769,47 5.409,48 1.486,49 3.864,50 3.825,51 3.825,52 16.102,54 104.239,55 18.784,56 0.685,57 12.086,59 5.482,60 2,61 0.917,62 1.942,63 7,64 0.946,65 -0.341,66 8.114,67 -1.162,68 1.477,69 7.137}
{0 CHEMBL213487,1 1,2 1,3 3.221,4 6.715,5 6.715,6 3.836,7 1,8 1,9 10.92,10 10.92,11 10.92,12 6.111,13 11.487,14 4.141,15 4.141,16 2.596,17 18.098,18 20.09,19 1,20 1,21 3.789,22 3.789,23 1,24 42.683,25 1,27 5.789,28 0.324,29 3.166,30 3.166,31 5.166,32 3.166,33 5.178,34 1,35 2.502,36 7.138,37 4.238,38 2.065,40 0.994,41 4.611,42 4.611,43 1,44 1.024,45 8.878,46 9.42,47 4.104,48 1.596,49 3.928,50 2.423,51 2.423,52 10.635,53 2.174,54 94.334,55 12.399,56 0.814,57 7.928,58 3.3,59 5.493,60 2,61 0.805,62 1.941,63 5,64 1.274,65 -0.831,66 5.437,67 -0.93,68 1.606,69 5.62}
{0 CHEMBL213524,1 1,2 1,3 3.632,4 7,5 7,6 3.824,7 1,8 1,9 11.926,10 11.926,11 11.926,12 6.05,13 24.195,14 4.284,15 4.284,16 2.655,17 19.453,18 14.257,20 1,21 3.646,22 3.646,23 1,24 60.694,25 1,26 1,27 5.646,28 0.354,29 3.295,30 3.295,31 5.295,32 3.295,33 5.36,35 2.654,36 7.046,37 4.213,38 2.009,40 0.904,41 4.649,42 4.649,43 2,44 0.925,45 8.766,46 9.016,47 4.03,48 1.586,49 4.229,50 2.397,51 2.397,52 10.503,54 87.549,55 12.247,56 0.544,57 7.838,58 3.8,59 5.577,60 2,61 0.802,62 1.784,63 10,64 1.062,66 5.368,67 -1.485,68 1.566,69 8}
{0 CHEMBL213602,1 1,2 1,3 3.539,4 7.111,5 7.111,6 3.839,7 1,8 1,9 11.659,10 11.659,11 11.659,12 6.111,13 11.417,14 4.316,15 4.316,16 2.607,17 18.578,18 18.47,20 1,21 3.788,22 3.788,23 1,24 42.683,25 1,27 5.788,28 0.335,29 3.316,30 3.316,31 5.316,32 3.316,33 5.368,35 2.546,36 7.138,37 4.238,38 2.089,40 0.851,41 4.563,42 4.563,43 1,44 1.188,45 8.878,46 9.362,47 4.104,48 1.63,49 4.349,50 2.423,51 2.423,52 10.635,53 2.114,54 84.857,55 12.399,56 0.861,57 7.928,58 3,59 5.407,60 2,61 0.996,62 1.842,63 6,64 1.289,65 -0.835,66 5.437,67 -0.94,68 1.639,69 5}
{0 CHEMBL213675,1 1,2 1,3 3.788,4 7.111,5 7.111,6 5.604,7 1,8 1,9 11.659,10 11.659,11 11.659,12 9.425,13 11.367,14 4.179,15 4.179,16 5.65,17 18.578,18 14.258,20 1,21 4.46,22 4.46,23 1,24 42.683,25 1,27 6.46,28 0.349,29 3.316,30 3.316,31 5.316,32 3.316,33 5.232,35 3.484,36 10.761,37 6.771,38 2.059,40 0.921,41 4.563,42 4.563,43 1,44 0.655,45 13.427,46 9.312,47 5.506,48 1.602,49 4.349,50 3.825,51 3.825,52 16.104,53 1.882,54 84.857,55 18.785,56 0.727,57 12.09,58 3.5,59 5.407,60 2,61 0.591,62 1.84,63 6,64 1.021,65 -0.897,66 8.128,67 -0.995,68 1.613,69 5.77}
{0 CHEMBL213678,1 1,2 1,3 3.246,4 6.559,5 6.559,6 3.839,7 1,8 1,9 10.41,10 10.41,11 10.41,12 6.111,13 11.388,14 4.096,15 4.096,16 2.605,17 17.27,18 18.375,20 1,21 3.788,22 3.788,23 1,24 42.683,25 1,27 5.788,28 0.357,29 3.129,30 3.129,31 5.129,32 3.129,33 5.148,35 2.546,36 7.138,37 4.238,38 2.06,40 0.972,41 4.563,42 4.563,43 1,44 1.06,45 8.878,46 9.339,47 4.104,48 1.609,49 4.005,50 2.423,51 2.423,52 10.635,53 2.118,54 84.857,55 12.399,56 0.861,57 7.928,58 3.3,59 5.406,60 2,61 0.813,62 1.84,63 6,64 1.274,65 -0.831,66 5.437,67 -0.939,68 1.63,69 5.602}
{0 CHEMBL213782,1 1,2 1,3 3.279,4 6.722,5 6.722,6 3.839,7 1,8 1,9 10.952,10 10.952,11 10.952,12 6.111,13 11.484,14 4.156,15 4.156,16 2.611,17 18.169,18 19.787,19 1,20 1,21 3.789,22 3.789,23 1,24 42.683,25 1,27 5.789,28 0.347,29 3.184,30 3.184,31 5.184,32 3.184,33 5.208,35 2.546,36 7.138,37 4.238,38 2.06,40 0.989,41 4.619,42 4.619,43 1,44 1.051,45 8.878,46 9.416,47 4.104,48 1.589,49 3.946,50 2.423,51 2.423,52 10.635,53 2.046,54 94.334,55 12.399,56 0.719,57 7.928,58 3.7,59 5.468,60 2,61 0.846,62 1.844,63 5,64 1.258,65 -0.852,66 5.437,67 -0.944,68 1.592,69 5.456}
{0 CHEMBL213876,1 1,2 1,3 3.637,4 7.356,5 7.356,6 3.824,7 1,8 1,9 12.829,10 12.829,11 12.829,12 6.05,13 24.178,14 4.459,15 4.459,16 2.637,17 20.74,18 9.688,20 1,21 3.747,22 3.747,23 1,24 60.694,25 1,26 1,27 5.747,28 0.331,29 3.462,30 3.462,31 5.462,32 3.462,33 5.534,35 2.654,36 7.046,37 4.213,38 2.019,40 0.788,41 4.712,42 4.712,43 2,44 1.115,45 8.766,46 9.01,47 4.03,48 1.461,49 4.229,50 2.397,51 2.397,52 10.503,54 56.857,55 12.247,56 0.499,57 7.838,58 3.5,59 5.64,60 2,61 0.722,62 1.92,63 9,64 1.145,66 5.368,67 -1.375,68 1.436,69 5.587}
{0 CHEMBL213877,1 1,2 1,3 3.635,4 7.004,5 7.004,6 3.824,7 1,8 1,9 11.94,10 11.94,11 11.94,12 6.05,13 24.035,14 4.297,15 4.297,16 2.626,17 19.485,18 9.753,20 1,21 3.668,22 3.668,23 1,24 60.694,25 1,26 1,27 5.668,28 0.372,29 3.307,30 3.307,31 5.307,32 3.307,33 5.373,35 2.654,36 7.046,37 4.213,38 2.009,40 0.924,41 4.637,42 4.637,43 2,44 1.029,45 8.766,46 8.988,47 4.03,48 1.419,49 4.208,50 2.397,51 2.397,52 10.503,54 56.857,55 12.247,56 0.728,57 7.838,58 3.8,59 5.573,60 2,61 0.758,62 1.783,63 9,64 1.069,65 0.14,66 5.368,67 -1.317,68 1.429,69 7.523}
{0 CHEMBL213902,1 1,2 1,3 3.245,4 6.558,5 6.558,6 3.839,7 1,8 1,9 10.41,10 10.41,11 10.41,12 6.111,13 11.197,14 4.095,15 4.095,16 2.624,17 17.27,18 19.833,20 1,21 3.785,22 3.785,23 1,24 42.683,25 1,27 5.785,28 0.359,29 3.129,30 3.129,31 5.129,32 3.129,33 5.146,35 2.546,36 7.138,37 4.238,38 2.059,40 0.942,41 4.563,42 4.563,43 1,44 1.033,45 8.878,46 9.181,47 4.104,48 1.436,49 3.953,50 2.423,51 2.423,52 10.635,53 2.105,54 94.334,55 12.399,56 0.568,57 7.928,58 3.9,59 5.385,60 2,61 0.77,62 1.833,63 5,64 1.248,65 -0.844,66 5.437,67 -0.958,68 1.457,69 5}
{0 CHEMBL214026,1 1,2 1,3 3.326,4 6.215,5 6.215,6 3.712,7 1,8 1,9 9.367,10 9.367,11 9.367,12 5.889,13 10.765,14 3.875,15 3.875,16 2.461,17 15.799,18 20.527,21 3.601,22 3.601,23 1,24 42.683,25 1,26 1,27 5.601,28 0.293,29 2.947,30 2.947,31 4.947,32 2.947,33 4.976,35 2.639,36 6.85,37 4.112,38 2.063,40 0.866,41 4.29,42 4.29,43 1,44 0.97,45 8.526,46 8.848,47 3.925,48 1.476,49 3.864,50 2.341,51 2.341,52 10.216,54 104.239,55 11.912,56 0.691,57 7.625,59 5.213,60 3,61 0.518,62 1.943,63 7,64 1.144,65 -0.106,66 5.215,67 -0.795,68 1.505,69 8.248}
{0 CHEMBL214272,1 1,2 1,3 3.246,4 6.559,5 6.559,6 3.839,7 1,8 1,9 10.41,10 10.41,11 10.41,12 6.111,13 11.354,14 4.095,15 4.095,16 2.627,17 17.27,18 15.897,20 1,21 3.788,22 3.788,23 1,24 42.683,25 1,27 5.788,28 0.375,29 3.129,30 3.129,31 5.129,32 3.129,33 5.147,35 2.546,36 7.138,37 4.238,38 2.059,40 0.898,41 4.563,42 4.563,43 1,44 0.965,45 8.878,46 9.308,47 4.104,48 1.601,49 3.989,50 2.423,51 2.423,52 10.635,53 2.024,54 84.857,55 12.399,56 0.727,57 7.928,58 3.7,59 5.406,60 2,61 0.634,62 1.84,63 6,64 1.132,65 -0.854,66 5.437,67 -0.96,68 1.613,69 5}
{0 CHEMBL214289,1 1,2 1,3 3.809,4 7.122,5 7.122,6 5.812,7 1,8 1,9 11.724,10 11.724,11 11.724,12 9.479,13 33.137,14 4.208,15 4.208,16 5.972,17 19.044,18 6.739,21 4.461,22 4.461,23 1,24 42.683,25 1,26 1,27 6.461,28 0.344,29 3.335,30 3.335,31 5.335,32 3.335,33 5.311,35 3.821,36 10.809,37 6.867,38 2.013,40 0.861,41 4.542,42 4.542,43 4,44 0.68,45 13.449,46 8.916,47 5.825,48 1.633,49 4.232,50 3.825,51 3.825,52 16.114,54 56.857,55 18.789,56 0.59,57 12.117,58 3.8,59 5.469,60 2,61 0.808,62 1.813,63 9,64 0.933,66 8.231,67 -0.996,68 1.582,69 6.886}
{0 CHEMBL214295,1 1,2 1,3 3.809,4 7.122,5 7.122,6 5.809,7 1,8 1,9 11.724,10 11.724,11 11.724,12 9.479,13 45.936,14 4.227,15 4.227,16 6.009,17 19.115,18 6.307,19 2,20 2,21 4.461,22 4.461,23 1,24 60.694,25 1,26 1,27 6.461,28 0.366,29 3.335,30 3.335,31 5.335,32 3.335,33 5.305,35 3.812,36 10.809,37 6.867,38 2.01,40 0.952,41 4.598,42 4.598,43 2,44 0.69,45 13.449,46 8.914,47 5.825,48 1.633,49 4.232,50 3.825,51 3.825,52 16.114,54 56.857,55 18.789,56 0.387,57 12.117,58 5.7,59 5.526,60 2,61 0.947,62 1.807,63 9,64 0.937,66 8.23,67 -1.681,68 1.582,69 8.398}
{0 CHEMBL214394,3 3.701,4 7.119,5 7.119,6 5.643,9 11.707,10 11.707,11 11.707,12 9.435,13 11.153,14 4.198,15 4.198,16 5.618,17 18.715,18 8.812,21 4.461,22 4.461,27 6.461,28 0.25,29 3.329,30 3.329,31 5.329,32 3.329,33 5.291,35 3.597,36 10.771,37 6.783,38 2.048,40 1.021,41 4.486,42 4.486,44 0.985,45 13.432,47 5.593,48 1.453,49 4.073,50 3.825,51 3.825,52 16.106,54 56.857,55 18.786,56 0.597,57 12.096,59 5.408,61 1.341,62 1.854,63 6,64 1.083,66 8.146,67 -0.463,68 1.465,69 7.796}
{0 CHEMBL214719,1 1,2 1,3 3.635,4 7.308,5 7.308,6 5.602,7 1,8 1,9 12.62,10 12.62,11 12.62,12 9.423,13 10.905,14 4.362,15 4.362,16 5.782,17 20.551,18 29.804,21 4.47,22 4.47,23 1,24 42.683,25 1,26 1,27 6.47,28 0.301,29 3.436,30 3.436,31 5.436,32 3.436,33 5.418,35 3.523,36 10.759,37 6.769,38 2.151,40 0.671,41 4.753,42 4.753,43 1,44 0.935,45 13.426,46 8.947,47 5.458,48 1.62,49 4.067,50 3.825,51 3.825,52 16.103,53 0.328,54 151.62,55 18.784,56 0.791,57 12.089,58 1.6,59 5.589,60 1,61 1.231,62 2.022,63 8,64 0.83,66 8.124,67 -0.895,68 1.612,69 6.185}
{0 CHEMBL214921,1 1,2 1,3 3.601,4 6.462,5 6.462,6 5.767,7 1,8 1,9 10.219,10 10.219,11 10.219,12 9.778,13 10.776,14 3.953,15 3.953,16 6.08,17 16.684,18 17.794,21 4.437,22 4.437,23 1,24 42.683,25 1,26 1,27 6.437,28 0.275,29 3.149,30 3.149,31 5.149,32 3.149,33 5.055,35 3.61,36 11.169,37 7.008,38 2.063,40 0.593,41 4.327,42 4.327,43 1,44 0.744,45 13.948,46 8.848,47 5.616,48 1.533,49 4.107,50 4.032,51 4.032,52 16.733,54 104.239,55 19.521,56 0.691,57 12.556,59 5.25,60 3,61 0.573,62 1.948,63 7,64 0.995,65 -0.339,66 8.415,67 -0.844,68 1.506,69 8.5}
{0 CHEMBL215126,1 1,2 1,3 3.601,4 6.63,5 6.63,6 3.685,7 1,8 1,9 10.547,10 10.547,11 10.547,12 5.889,13 23.916,14 4.108,15 4.108,16 2.466,17 17.708,18 20.763,21 3.626,22 3.626,23 1,24 42.683,25 1,26 1,27 5.626,28 0.309,29 3.108,30 3.108,31 5.108,32 3.108,33 5.196,35 2.527,36 6.85,37 4.112,38 2.072,40 1.032,41 4.456,42 4.456,44 0.987,45 8.526,46 8.87,47 3.925,48 1.612,49 3.973,50 2.341,51 2.341,52 10.216,54 104.239,55 11.912,56 0.837,57 7.625,59 5.379,60 3,61 0.401,62 1.986,63 7,64 1.118,65 -0.147,66 5.21,67 -0.848,68 1.646,69 6.604}
{0 CHEMBL215127,1 1,2 1,3 3.601,4 6.631,5 6.631,6 3.685,7 1,8 1,9 10.551,10 10.551,11 10.551,12 5.889,13 24.033,14 4.109,15 4.109,16 2.465,17 17.716,18 20.872,21 3.627,22 3.627,23 1,24 42.683,25 1,26 1,27 5.627,28 0.3,29 3.109,30 3.109,31 5.109,32 3.109,33 5.198,35 2.527,36 6.85,37 4.112,38 2.073,40 1.057,41 4.456,42 4.456,44 1.03,45 8.526,46 8.894,47 3.925,48 1.615,49 3.974,50 2.341,51 2.341,52 10.216,54 104.239,55 11.912,56 0.876,57 7.625,59 5.38,60 3,61 0.58,62 1.988,63 7,64 1.131,65 -0.097,66 5.21,67 -0.839,68 1.65,69 7.602}
{0 CHEMBL215245,1 1,2 1,3 3.326,4 6.215,5 6.215,6 3.712,7 1,8 1,9 9.367,10 9.367,11 9.367,12 5.889,13 10.643,14 3.874,15 3.874,16 2.628,17 15.799,18 18.974,21 3.601,22 3.601,23 1,24 42.683,25 1,26 1,27 5.601,28 0.297,29 2.947,30 2.947,31 4.947,32 2.947,33 4.976,35 2.639,36 6.85,37 4.112,38 2.022,40 1.077,41 4.29,42 4.29,43 1,44 0.942,45 8.526,46 8.725,47 3.925,48 1.443,49 3.864,50 2.341,51 2.341,52 10.216,54 104.239,55 11.912,56 0.683,57 7.625,59 5.213,60 2,61 0.581,62 1.941,63 7,64 1.028,65 -0.2,66 5.215,67 -0.961,68 1.468,69 7.469}
{0 CHEMBL215582,1 1,2 1,3 3.626,4 7.224,5 7.224,6 3.882,7 1,8 1,9 12.052,10 12.052,11 12.052,12 6.111,13 24.331,14 4.304,15 4.304,16 2.704,17 19.214,18 21.776,21 4.099,22 4.099,23 1,24 42.683,25 1,27 6.099,28 0.273,29 3.352,30 3.352,31 5.352,32 3.352,33 5.401,35 2.719,36 7.139,37 4.238,38 2.071,40 1.512,41 4.456,42 4.456,44 0.985,45 8.878,46 9.182,47 4.104,48 1.612,49 4,50 2.423,51 2.423,52 10.635,54 113.715,55 12.399,56 0.837,57 7.928,59 5.379,60 2,61 0.553,62 1.983,63 6,64 1.164,65 -0.177,66 5.444,67 -1.1,68 1.647,69 7.347}
{0 CHEMBL215605,1 1,2 1,3 3.636,4 7,5 7,6 3.884,7 1,8 1,9 11.926,10 11.926,11 11.926,12 6.05,13 24.47,14 4.286,15 4.286,16 2.635,17 19.451,18 18.966,21 3.677,22 3.677,23 1,24 42.683,25 1,26 1,27 5.677,28 0.339,29 3.294,30 3.294,31 5.294,32 3.294,33 5.34,35 2.723,36 7.055,37 4.213,38 2.034,40 0.875,41 4.648,42 4.648,43 2,44 1.008,45 8.769,46 9.055,47 4.03,48 1.504,49 4.228,50 2.397,51 2.397,52 10.504,54 104.239,55 12.247,56 0.601,57 7.838,58 1.8,59 5.576,60 2,61 0.77,62 1.937,63 10,64 0.959,66 5.395,67 -1.161,68 1.48,69 7.523}
{0 CHEMBL215701,1 1,2 1,3 3.326,4 6.215,5 6.215,6 3.712,7 1,8 1,9 9.367,10 9.367,11 9.367,12 5.889,13 10.854,14 3.899,15 3.899,16 2.454,17 15.799,18 20.656,20 1,21 3.601,22 3.601,23 1,24 42.683,25 1,26 1,27 5.601,28 0.283,29 2.947,30 2.947,31 4.947,32 2.947,33 5.001,35 2.639,36 6.85,37 4.112,38 2.074,40 0.87,41 4.29,42 4.29,43 1,44 0.996,45 8.526,46 8.92,47 3.925,48 1.615,49 3.864,50 2.341,51 2.341,52 10.216,54 104.239,55 11.912,56 0.802,57 7.625,59 5.213,60 3,61 1.001,62 1.944,63 7,64 1.156,65 -0.107,66 5.215,67 -0.788,68 1.644,69 8.31}
{0 CHEMBL215812,1 1,2 1,3 4.443,4 7.277,5 7.277,6 6.206,7 1,8 1,9 12.355,10 12.355,11 12.355,12 10.099,13 23.63,14 4.312,15 4.312,16 6.354,17 19.891,18 5.31,20 2,21 4.489,22 4.489,23 1,24 60.694,25 1,26 1,27 6.489,28 0.335,29 3.428,30 3.428,31 5.428,32 3.428,33 5.39,35 3.987,36 11.44,37 7.423,38 2.01,40 0.94,41 4.608,42 4.608,43 2,44 0.611,45 14.114,46 8.905,47 5.458,48 1.531,49 4.32,50 3.825,51 3.825,52 16.795,54 56.857,55 19.477,56 0.387,57 12.775,58 3.7,59 5.538,60 2,61 0.915,62 1.807,63 9,64 0.901,66 8.784,67 -1.798,68 1.418,69 6.585}
{0 CHEMBL2159605,3 3.57,4 6.665,5 6.665,6 3.786,7 8,8 2,9 10.51,10 10.51,11 10.51,12 5.379,13 12.464,14 4.112,15 4.112,16 2.96,17 18.038,18 9.087,19 1,20 12,21 3.624,22 3.624,23 10,24 426.833,27 5.624,28 0.415,29 3.162,30 3.162,31 5.162,32 3.162,33 5.161,34 10,35 2.852,36 6.38,37 3.746,38 2.062,40 0.989,41 4.273,42 4.273,44 1.16,45 7.853,46 99.275,47 3.677,48 1.647,49 4.122,50 2.178,51 2.178,52 9.372,54 399.043,55 10.913,56 0.892,57 6.973,59 5.273,61 0.925,62 1.923,63 6,64 1.216,65 -14.709,66 5,67 0.021,68 1.66,69 4.959}
{0 CHEMBL2159606,3 3.57,4 6.665,5 6.665,6 2.792,7 9,8 2,9 10.51,10 10.51,11 10.51,14 4.112,15 4.112,16 2.948,17 18.038,18 9.261,20 14,21 3.57,22 3.57,23 11,24 469.517,27 5.57,28 0.415,29 3.162,30 3.162,31 5.162,32 3.162,33 5.161,34 10,35 2.29,36 4.047,38 2.071,40 0.95,41 4.272,42 4.272,44 1.168,45 4.699,46 109.834,47 2.783,48 1.655,49 4.121,50 1.392,51 1.392,52 5.356,54 441.727,55 6.014,56 0.925,59 5.272,61 0.908,62 1.928,63 6,64 1.227,65 -15.219,66 3.405,68 1.673,69 4.883}
{0 CHEMBL2159607,3 3.373,4 6.663,5 6.663,6 2.499,7 4,8 4,9 10.5,10 10.5,11 10.5,14 4.11,15 4.11,16 2.899,17 18.026,18 8.922,19 3,20 9,21 3.567,22 3.567,23 8,24 341.467,27 5.567,28 0.433,29 3.16,30 3.16,31 5.16,32 3.16,33 5.207,34 13,35 2.09,36 3.563,38 2.074,40 0.904,41 4.276,42 4.276,44 1.038,45 4.152,46 78.916,47 2.783,48 1.561,49 4.157,50 1.392,51 1.392,52 4.764,54 227.95,55 5.391,56 0.822,59 5.276,61 0.925,62 1.922,63 6,64 1.136,65 -8.433,66 3.006,68 1.556,69 4.521}
{0 CHEMBL216395,1 1,2 1,3 3.585,4 7.232,5 7.232,6 3.859,7 1,8 1,9 12.114,10 12.114,11 12.114,12 6.111,13 24.504,14 4.323,15 4.323,16 2.677,17 19.45,18 28.983,19 1,20 1,21 4.101,22 4.101,23 1,24 42.683,25 1,27 6.101,28 0.302,29 3.371,30 3.371,31 5.371,32 3.371,33 5.4,34 1,35 2.617,36 7.139,37 4.238,38 2.166,40 1.487,41 4.629,42 4.629,43 1,44 1.014,45 8.878,46 9.448,47 4.104,48 1.784,49 4.394,50 2.423,51 2.423,52 10.635,53 4.016,54 141.715,55 12.399,56 1.015,57 7.928,58 1.3,59 5.537,60 2,61 0.742,62 2.013,63 5,64 1.133,66 5.441,67 -0.991,68 1.816,69 5.367}
{0 CHEMBL21706,1 1,2 1,3 3.733,4 7.224,5 7.224,6 5.691,7 1,8 1,9 12.052,10 12.052,11 12.052,12 6.98,13 24.618,14 4.281,15 4.281,16 2.507,17 18.92,18 12.956,20 4,21 4.944,22 4.944,23 1,24 60.694,25 1,27 6.944,28 0.237,29 3.352,30 3.352,31 5.352,32 3.352,33 5.393,34 3,35 3.595,36 10.431,37 4.606,38 2.132,39 1,40 1.187,41 4.438,42 4.438,44 0.963,45 12.853,46 9.374,47 6.739,48 1.668,49 4.01,50 3.412,51 3.412,52 15.283,54 66.334,55 17.715,56 0.955,57 9.519,58 2.7,59 5.438,60 2,61 0.777,62 1.937,63 5,64 1.254,65 0.84,66 8.028,67 -1.001,68 1.685,69 5}
{0 CHEMBL217118,1 1,2 1,3 3.635,4 7.308,5 7.308,6 5.591,7 1,8 1,9 12.62,10 12.62,11 12.62,12 9.423,13 10.917,14 4.362,15 4.362,16 5.77,17 20.551,18 30.456,19 1,20 3,21 4.47,22 4.47,23 1,24 60.694,25 1,26 1,27 6.47,28 0.3,29 3.436,30 3.436,31 5.436,32 3.436,33 5.403,34 2,35 3.469,36 10.759,37 6.769,38 2.153,40 0.643,41 4.753,42 4.753,44 0.962,45 13.426,46 8.959,47 5.458,48 1.62,49 4.067,50 3.825,51 3.825,52 16.103,53 0.376,54 151.62,55 18.784,56 0.791,57 12.089,58 3.1,59 5.589,60 1,61 1.186,62 2.022,63 8,64 0.844,66 8.122,67 -0.879,68 1.616,69 5.879}
{0 CHEMBL217932,1 1,2 1,3 3.634,4 6.948,5 6.948,6 3.824,7 1,8 1,9 11.707,10 11.707,11 11.707,12 6.05,13 24.054,14 4.253,15 4.253,16 2.607,17 19.013,18 11.786,19 1,20 3,21 3.654,22 3.654,23 1,24 60.694,25 1,26 1,27 5.654,28 0.357,29 3.258,30 3.258,31 5.258,32 3.258,33 5.328,34 1,35 2.654,36 7.046,37 4.213,38 2.043,40 0.855,41 4.6,42 4.6,43 3,44 1.087,45 8.766,46 9.057,47 4.03,48 1.471,49 4.07,50 2.397,51 2.397,52 10.503,54 66.334,55 12.247,56 0.541,57 7.838,58 3.7,59 5.528,60 1,61 0.846,62 1.919,63 8,64 1.134,65 -0.08,66 5.368,67 -1.302,68 1.455,69 5.971}
{0 CHEMBL218094,1 1,2 1,3 4.099,4 7.224,5 7.224,6 5.606,7 1,8 1,9 12.052,10 12.052,11 12.052,12 9.425,13 11.159,14 4.304,15 4.304,16 5.608,17 18.97,18 12.163,20 3,21 4.46,22 4.46,23 1,24 60.694,25 1,27 6.46,28 0.267,29 3.352,30 3.352,31 5.352,32 3.352,33 5.426,35 3.51,36 10.761,37 6.771,38 2.028,40 1.096,41 4.47,42 4.47,44 0.765,45 13.427,46 9.138,47 5.506,48 1.449,49 4.356,50 3.825,51 3.825,52 16.104,54 93.821,55 18.785,56 0.559,57 12.09,58 3.6,59 5.35,60 2,61 0.587,62 1.867,63 7,64 0.953,66 8.128,67 -1.043,68 1.391,69 5.393}
{0 CHEMBL218101,1 1,2 1,3 3.629,4 6.968,5 6.968,6 3.911,7 1,8 1,9 11.811,10 11.811,11 11.811,12 6.111,13 24.182,14 4.269,15 4.269,16 2.742,17 19.207,18 19.152,20 3,21 3.637,22 3.637,23 1,24 60.694,25 1,27 5.637,28 0.338,29 3.274,30 3.274,31 5.274,32 3.274,33 5.345,34 1,35 2.768,36 7.141,37 4.238,38 2.036,40 0.854,41 4.63,42 4.63,43 3,44 1.007,45 8.879,46 8.872,47 4.104,48 1.533,49 4.229,50 2.423,51 2.423,52 10.635,54 104.239,55 12.399,56 0.689,57 7.928,58 3.4,59 5.558,60 3,61 0.829,62 1.92,63 10,64 1.076,66 5.453,67 -1.474,68 1.539,69 6.699}
{0 CHEMBL218338,1 1,2 1,3 3.632,4 6.966,5 6.966,6 3.824,7 1,8 1,9 11.803,10 11.803,11 11.803,12 6.05,13 24.214,14 4.265,15 4.265,16 2.59,17 19.179,18 20.886,20 2,21 3.638,22 3.638,23 1,24 60.694,25 1,26 1,27 5.638,28 0.326,29 3.269,30 3.269,31 5.269,32 3.269,33 5.34,35 2.654,36 7.046,37 4.213,38 2.047,40 0.866,41 4.624,42 4.624,43 2,44 0.993,45 8.766,46 8.999,47 4.03,48 1.504,49 4.092,50 2.397,51 2.397,52 10.503,54 113.715,55 12.247,56 0.554,57 7.838,58 3.6,59 5.552,60 1,61 0.731,62 1.92,63 9,64 1.01,66 5.368,67 -1.312,68 1.477,69 6.143}
{0 CHEMBL218339,1 1,2 1,3 3.63,4 7.007,5 7.007,6 3.847,7 1,8 1,9 11.964,10 11.964,11 11.964,12 6.05,13 24.7,14 4.292,15 4.292,16 2.653,17 19.507,18 18.85,19 2,20 4,21 3.646,22 3.646,23 1,24 60.694,25 1,26 1,27 5.646,28 0.338,29 3.3,30 3.3,31 5.3,32 3.3,33 5.367,34 1,35 2.753,36 7.046,37 4.213,38 2.034,40 0.863,41 4.653,42 4.653,43 4,44 1.075,45 8.766,46 9.228,47 4.03,48 1.526,49 4.229,50 2.397,51 2.397,52 10.503,54 104.239,55 12.247,56 0.606,57 7.838,58 3.4,59 5.581,61 1.221,62 1.92,63 10,64 1.076,66 5.372,67 -1.438,68 1.526,69 6.252}
{0 CHEMBL218384,1 1,2 1,3 3.631,4 7,5 7,6 3.824,7 1,8 1,9 11.928,10 11.928,11 11.928,12 6.05,13 24.567,14 4.289,15 4.289,16 2.619,17 19.45,18 19.284,19 1,20 4,21 3.643,22 3.643,23 1,24 60.694,25 1,26 1,27 5.643,28 0.345,29 3.293,30 3.293,31 5.293,32 3.293,33 5.364,34 1,35 2.654,36 7.046,37 4.213,38 2.055,40 0.821,41 4.648,42 4.648,43 3,44 0.967,45 8.766,46 9.163,47 4.03,48 1.511,49 4.2,50 2.397,51 2.397,52 10.503,54 104.239,55 12.247,56 0.609,57 7.838,58 3.4,59 5.575,60 1,61 0.962,62 1.92,63 10,64 1.027,66 5.368,67 -1.356,68 1.491,69 7.301}
{0 CHEMBL218442,1 1,2 1,3 3.601,4 7.224,5 7.224,6 3.895,7 1,8 1,9 12.052,10 12.052,11 12.052,12 6.111,13 23.181,14 4.304,15 4.304,16 2.701,17 18.92,18 6.939,20 1,21 4.099,22 4.099,23 1,24 60.694,25 1,27 6.099,28 0.305,29 3.352,30 3.352,31 5.352,32 3.352,33 5.401,35 2.708,36 7.141,37 4.238,38 2.025,40 1.539,41 4.438,42 4.438,44 0.773,45 8.879,46 9.057,47 4.104,48 1.276,49 4,50 2.423,51 2.423,52 10.635,54 37.905,55 12.399,56 0.469,57 7.928,58 4.5,59 5.319,60 2,61 0.392,62 1.732,63 5,64 1.225,66 5.451,67 -1.239,68 1.308,69 6.18}
{0 CHEMBL218497,1 1,2 1,3 3.575,4 6.966,5 6.966,6 2.574,7 1,8 1,9 11.803,10 11.803,11 11.803,13 24.363,14 4.265,15 4.265,16 2.713,17 19.18,18 20.046,19 1,20 3,21 3.636,22 3.636,23 1,24 60.694,26 1,27 5.636,28 0.335,29 3.27,30 3.27,31 5.27,32 3.27,33 5.34,34 1,35 2.18,36 3.715,38 2.032,40 1.172,41 4.625,42 4.625,43 3,44 0.974,45 4.381,46 9.15,47 2.873,48 1.471,49 4.167,50 1.437,51 1.437,52 5.075,54 113.715,55 5.783,56 0.255,58 3.8,59 5.553,61 0.797,62 1.92,63 9,64 0.991,66 3.1,67 -1.46,68 1.384,69 5}
{0 CHEMBL218637,1 1,2 1,3 3.778,4 7.224,5 7.224,6 4.718,7 1,8 1,9 12.052,10 12.052,11 12.052,12 7.05,13 45.401,14 4.304,15 4.304,16 2.734,17 18.92,18 12.798,20 3,21 4.099,22 4.099,23 1,24 60.694,25 1,27 6.099,28 0.326,29 3.352,30 3.352,31 5.352,32 3.352,33 5.428,35 3.266,36 8.213,37 5.068,38 2.025,40 1.272,41 4.472,42 4.472,43 2,44 0.981,45 10.044,46 9.138,47 4.612,48 1.541,49 4.243,50 2.612,51 2.612,52 11.896,54 75.81,55 13.763,56 0.469,57 8.978,58 5.7,59 5.354,60 2,61 0.697,62 1.865,63 7,64 1.081,66 6.422,67 -1.345,68 1.528,69 5}
{0 CHEMBL218687,1 1,2 1,3 4.099,4 7.224,5 7.224,6 5.603,7 1,8 1,9 12.052,10 12.052,11 12.052,12 9.425,13 11.169,14 4.304,15 4.304,16 5.605,17 18.97,18 12.299,20 1,21 4.46,22 4.46,23 1,24 42.683,25 1,27 6.46,28 0.274,29 3.352,30 3.352,31 5.352,32 3.352,33 5.419,34 1,35 3.467,36 10.761,37 6.771,38 2.045,40 1.101,41 4.47,42 4.47,44 0.789,45 13.427,46 9.147,47 5.506,48 1.432,49 4.357,50 3.825,51 3.825,52 16.104,54 75.81,55 18.785,56 0.469,57 12.09,58 1.9,59 5.321,60 2,61 0.533,62 1.873,63 7,64 0.902,66 8.128,67 -1.041,68 1.376,69 7.699}
{0 CHEMBL218691,1 1,2 1,3 3.602,4 7.224,5 7.224,6 3.917,7 1,8 1,9 12.052,10 12.052,11 12.052,12 6.111,13 23.834,14 4.304,15 4.304,16 2.71,17 18.92,18 14.485,20 3,21 4.099,22 4.099,23 1,24 60.694,25 1,27 6.099,28 0.304,29 3.352,30 3.352,31 5.352,32 3.352,33 5.428,35 2.802,36 7.142,37 4.238,38 2.025,40 1.454,41 4.468,42 4.468,44 0.992,45 8.879,46 9.149,47 4.104,48 1.506,49 4.071,50 2.423,51 2.423,52 10.635,54 75.81,55 12.399,56 0.583,57 7.928,58 3.6,59 5.35,60 2,61 0.729,62 1.865,63 7,64 1.169,66 5.454,67 -1.236,68 1.527,69 5}
{0 CHEMBL218784,1 1,2 1,3 3.567,4 7.224,5 7.224,6 3.895,7 1,8 1,9 12.052,10 12.052,11 12.052,12 6.111,13 23.482,14 4.304,15 4.304,16 2.705,17 18.92,18 18.232,20 3,21 4.099,22 4.099,23 1,24 60.694,25 1,27 6.099,28 0.26,29 3.352,30 3.352,31 5.352,32 3.352,33 5.419,35 2.708,36 7.141,37 4.238,38 2.025,40 1.54,41 4.438,42 4.438,44 0.995,45 8.879,46 9.109,47 4.104,48 1.276,49 4.013,50 2.423,51 2.423,52 10.635,54 85.286,55 12.399,56 0.469,57 7.928,58 4.2,59 5.317,60 2,61 0.792,62 1.864,63 5,64 1.088,66 5.451,67 -1.227,68 1.308,69 5}
{0 CHEMBL219586,1 1,2 1,3 4.099,4 7.224,5 7.224,6 5.614,7 1,8 1,9 12.052,10 12.052,11 12.052,12 9.425,13 23.776,14 4.304,15 4.304,16 5.667,17 18.973,18 11.282,20 3,21 4.46,22 4.46,23 1,24 60.694,25 1,27 6.46,28 0.294,29 3.352,30 3.352,31 5.352,32 3.352,33 5.429,35 3.551,36 10.761,37 6.771,38 2.025,40 1.161,41 4.493,42 4.493,44 0.776,45 13.427,46 9.13,47 5.506,48 1.449,49 4.405,50 3.825,51 3.825,52 16.104,54 75.81,55 18.785,56 0.488,57 12.09,58 3.7,59 5.375,60 2,61 0.69,62 1.865,63 7,64 0.939,66 8.129,67 -1.44,68 1.391,69 5.553}
{0 CHEMBL219587,1 1,2 1,3 3.602,4 7.224,5 7.224,6 3.895,7 1,8 1,9 12.052,10 12.052,11 12.052,12 6.111,13 23.722,14 4.304,15 4.304,16 2.723,17 18.92,18 12.824,20 3,21 4.099,22 4.099,23 1,24 60.694,25 1,27 6.099,28 0.316,29 3.352,30 3.352,31 5.352,32 3.352,33 5.427,35 2.708,36 7.141,37 4.238,38 2.025,40 1.273,41 4.468,42 4.468,44 0.89,45 8.879,46 9.126,47 4.104,48 1.276,49 4.06,50 2.423,51 2.423,52 10.635,54 75.81,55 12.399,56 0.469,57 7.928,58 3.9,59 5.349,60 2,61 0.689,62 1.865,63 7,64 1.012,66 5.451,67 -1.301,68 1.308,69 5}
{0 CHEMBL219609,1 1,2 1,3 3.283,4 6.546,5 6.546,6 3.738,7 1,8 1,9 10.357,10 10.357,11 10.357,12 5.889,13 11.055,14 4.092,15 4.092,16 2.413,17 17.144,18 11.834,21 3.63,22 3.63,23 1,24 42.683,25 1,26 1,27 5.63,28 0.319,29 3.095,30 3.095,31 5.095,32 3.095,33 5.221,35 2.739,36 6.851,37 4.112,38 2.004,40 0.892,41 4.447,42 4.447,43 2,44 0.971,45 8.526,46 9.089,47 3.925,48 1.693,49 4.201,50 2.341,51 2.341,52 10.216,54 56.857,55 11.912,56 0.935,57 7.625,58 1.4,59 5.371,60 2,61 0.363,62 1.885,63 9,64 1.221,65 0.109,66 5.219,67 -0.746,68 1.733,69 8.268}
{0 CHEMBL219610,1 1,2 1,3 3.956,4 8.42,5 8.42,6 5.147,7 2,8 1,9 16.07,10 16.07,11 16.07,12 7.881,13 10.958,14 4.729,15 4.729,16 6.188,17 25.078,18 9.401,20 1,21 4.668,22 4.668,23 2,24 105.992,25 1,26 1,27 6.668,28 0.281,29 3.828,30 3.828,31 5.828,32 3.828,33 5.826,35 3.602,36 9.059,37 5.712,38 2.004,40 0.883,41 4.888,42 4.888,44 0.587,45 11.173,46 18.793,47 5.066,48 1.527,49 4.103,50 3.02,51 3.02,52 13.331,54 120.166,55 15.512,56 0.55,57 10.044,58 1.9,59 5.814,60 2,61 0.441,62 1.885,63 6,64 0.932,65 0.045,66 7.026,67 -0.801,68 1.517,69 7.174}
{0 CHEMBL219617,1 1,2 1,3 3.283,4 6.546,5 6.546,6 3.712,7 1,8 1,9 10.357,10 10.357,11 10.357,12 5.889,13 11.051,14 4.092,15 4.092,16 2.406,17 17.144,18 12.046,21 3.63,22 3.63,23 1,24 42.683,25 1,26 1,27 5.63,28 0.325,29 3.095,30 3.095,31 5.095,32 3.095,33 5.206,35 2.639,36 6.85,37 4.112,38 2.019,40 0.831,41 4.45,42 4.45,43 1,44 0.993,45 8.526,46 9.087,47 3.925,48 1.528,49 4.205,50 2.341,51 2.341,52 10.216,54 56.857,55 11.912,56 0.761,57 7.625,58 1.5,59 5.394,60 2,61 0.44,62 1.966,63 9,64 1.131,65 0.118,66 5.215,67 -0.739,68 1.541,69 8.481}
{0 CHEMBL219626,1 1,2 1,3 4.099,4 7.224,5 7.224,6 5.793,7 1,8 1,9 12.052,10 12.052,11 12.052,12 9.783,13 23.814,14 4.304,15 4.304,16 6.021,17 18.92,18 11.913,20 3,21 4.437,22 4.437,23 1,24 60.694,25 1,27 6.437,28 0.287,29 3.352,30 3.352,31 5.352,32 3.352,33 5.432,35 3.636,36 11.173,37 7.016,38 2.025,40 0.907,41 4.469,42 4.469,44 0.728,45 13.95,46 9.137,47 5.712,48 1.522,49 4.199,50 4.032,51 4.032,52 16.734,54 75.81,55 19.521,56 0.469,57 12.558,58 3.6,59 5.35,60 2,61 0.611,62 1.865,63 7,64 0.971,66 8.426,67 -1.431,68 1.408,69 5.337}
{0 CHEMBL219661,1 1,2 1,3 3.63,4 6.546,5 6.546,6 4.306,7 1,8 1,9 10.357,10 10.357,11 10.357,12 5.889,13 10.976,14 4.092,15 4.092,16 2.41,17 17.144,18 11.538,21 4.058,22 4.058,23 1,24 42.683,25 1,26 1,27 6.058,28 0.291,29 3.095,30 3.095,31 5.095,32 3.095,33 5.183,35 3.035,36 7.334,37 4.112,38 2.049,40 0.827,41 4.378,42 4.378,44 1.038,45 8.919,46 9.025,47 4.376,48 1.528,49 3.771,50 2.341,51 2.341,52 10.529,54 56.857,55 12.159,56 0.706,57 7.625,58 1.8,59 5.303,60 2,61 0.714,62 1.886,63 6,64 1.134,65 0.12,66 5.784,67 -0.743,68 1.518,69 7.602}
{0 CHEMBL219668,1 1,2 1,3 3.588,4 6.546,5 6.546,6 3.81,7 1,8 1,9 10.357,10 10.357,11 10.357,12 5.889,13 22.876,14 4.092,15 4.092,16 2.412,17 17.144,18 12.141,21 3.63,22 3.63,23 1,24 42.683,25 1,26 1,27 5.63,28 0.345,29 3.106,30 3.106,31 5.106,32 3.106,33 5.206,35 2.759,36 6.865,37 4.112,38 2.047,40 0.727,41 4.478,42 4.478,44 1.064,45 8.53,46 9.095,47 3.925,48 1.727,49 4.236,50 2.341,51 2.341,52 10.217,54 56.857,55 11.912,56 0.907,57 7.625,58 1.4,59 5.404,60 2,61 0.489,62 1.886,63 9,64 1.132,65 0.111,66 5.257,67 -0.695,68 1.764,69 7.745}
{0 CHEMBL219669,1 1,2 1,3 3.283,4 6.546,5 6.546,6 3.738,7 1,8 1,9 10.357,10 10.357,11 10.357,12 5.889,13 11.041,14 4.092,15 4.092,16 2.414,17 17.144,18 13.665,21 3.63,22 3.63,23 1,24 42.683,25 1,26 1,27 5.63,28 0.329,29 3.095,30 3.095,31 5.095,32 3.095,33 5.215,35 2.739,36 6.851,37 4.112,38 2.004,40 0.798,41 4.38,42 4.38,43 2,44 0.949,45 8.526,46 9.077,47 3.925,48 1.528,49 4.094,50 2.341,51 2.341,52 10.216,54 64.507,55 11.912,56 0.706,57 7.625,58 1.5,59 5.304,60 2,61 0.388,62 1.89,63 8,64 1.212,65 0.19,66 5.219,67 -0.747,68 1.538,69 8.523}
{0 CHEMBL219686,1 1,2 1,3 3.63,4 7.119,5 7.119,6 5.579,7 1,8 1,9 11.707,10 11.707,11 11.707,12 9.418,13 10.969,14 4.198,15 4.198,16 5.613,17 18.715,18 9.372,21 4.461,22 4.461,23 1,24 42.683,25 1,26 1,27 6.461,28 0.282,29 3.329,30 3.329,31 5.329,32 3.329,33 5.289,35 3.477,36 10.755,37 6.762,38 2.048,40 0.842,41 4.486,42 4.486,44 1.034,45 13.424,46 9.013,47 5.409,48 1.528,49 4.073,50 3.825,51 3.825,52 16.102,54 56.857,55 18.784,56 0.706,57 12.086,59 5.411,60 2,61 1.287,62 1.886,63 6,64 0.976,65 0.066,66 8.114,67 -0.784,68 1.518,69 8.796}
{0 CHEMBL219687,1 1,2 1,3 3.63,4 7.121,5 7.121,6 5.583,7 1,8 1,9 11.714,10 11.714,11 11.714,12 9.418,13 11.009,14 4.183,15 4.183,16 5.73,17 18.77,18 11.684,21 4.461,22 4.461,23 1,24 42.683,25 1,26 1,27 6.461,28 0.308,29 3.334,30 3.334,31 5.334,32 3.334,33 5.288,35 3.522,36 10.755,37 6.762,38 2.004,40 0.746,41 4.506,42 4.506,43 1,44 0.959,45 13.424,46 9.045,47 5.409,48 1.527,49 4.291,50 3.825,51 3.825,52 16.102,54 64.507,55 18.784,56 0.634,57 12.086,58 1.7,59 5.431,60 2,61 0.639,62 1.885,63 8,64 0.952,65 0.064,66 8.114,67 -0.784,68 1.537,69 8.538}
{0 CHEMBL219688,1 1,2 1,3 3.63,4 7.121,5 7.121,6 5.579,7 1,8 1,9 11.714,10 11.714,11 11.714,12 9.418,13 10.995,14 4.179,15 4.179,16 5.808,17 18.77,18 10.936,21 4.461,22 4.461,23 1,24 42.683,25 1,26 1,27 6.461,28 0.316,29 3.334,30 3.334,31 5.334,32 3.334,33 5.273,35 3.477,36 10.755,37 6.762,38 2.019,40 0.579,41 4.505,42 4.505,43 1,44 0.979,45 13.424,46 9.035,47 5.409,48 1.527,49 4.274,50 3.825,51 3.825,52 16.102,54 56.857,55 18.784,56 0.639,57 12.086,58 3.5,59 5.428,60 2,61 0.761,62 1.886,63 8,64 0.987,65 0.072,66 8.114,67 -0.779,68 1.518,69 8.469}
{0 CHEMBL219723,1 1,2 1,3 3.283,4 6.546,5 6.546,6 3.685,7 1,8 1,9 10.357,10 10.357,11 10.357,12 5.889,13 10.961,14 4.092,15 4.092,16 2.403,17 17.144,18 13.641,21 3.63,22 3.63,23 1,24 42.683,25 1,26 1,27 5.63,28 0.342,29 3.095,30 3.095,31 5.095,32 3.095,33 5.185,35 2.527,36 6.85,37 4.112,38 2.013,40 0.801,41 4.534,42 4.534,44 0.914,45 8.526,46 9.014,47 3.925,48 1.527,49 3.741,50 2.341,51 2.341,52 10.216,53 1.948,54 68.597,55 11.912,56 0.706,57 7.625,59 5.455,60 2,61 0.328,62 1.886,63 5,64 1.122,65 0.13,66 5.21,67 -0.737,68 1.518,69 8.097}
{0 CHEMBL219817,1 1,2 1,3 3.546,4 6.546,5 6.546,6 4.045,7 1,8 1,9 10.357,10 10.357,11 10.357,12 6.092,13 22.617,14 4.092,15 4.092,16 2.428,17 17.144,18 14.606,19 1,21 3.63,22 3.63,23 1,24 60.694,25 1,26 1,27 5.63,28 0.321,29 3.095,30 3.095,31 5.095,32 3.095,33 5.188,34 2,35 2.921,36 7.033,37 4.392,38 2.005,40 0.7,41 4.378,42 4.378,43 2,44 0.917,45 8.65,46 9.056,47 3.925,48 1.554,49 4.01,50 2.341,51 2.341,52 10.299,54 65.905,55 11.967,56 0.706,57 7.767,58 6.8,59 5.304,60 2,61 0.754,62 1.885,63 6,64 1.188,65 0.091,66 5.476,67 -0.955,68 1.555,69 6.435}
{0 CHEMBL219836,1 1,2 1,3 3.601,4 6.719,5 6.719,6 4.28,7 1,8 1,9 10.949,10 10.949,11 10.949,12 6.356,13 23.784,14 4.156,15 4.156,16 2.52,17 18.159,18 22.234,19 1,20 1,21 3.785,22 3.785,23 1,24 42.683,25 1,26 1,27 5.785,28 0.323,29 3.174,30 3.174,31 5.174,32 3.174,33 5.233,35 3.033,36 7.367,37 4.595,38 2.101,39 1,40 1.261,41 4.499,42 4.499,43 3,44 0.995,45 8.99,46 9.229,47 4.045,48 1.779,49 4.21,50 2.341,51 2.341,52 10.633,54 104.239,55 12.287,56 0.96,57 8.065,58 2.6,59 5.449,60 2,61 1.037,62 1.904,63 10,64 1.252,66 5.781,67 -1.196,68 1.791,69 5.561}
{0 CHEMBL219872,1 1,2 1,3 3.319,4 6.701,5 6.701,6 3.696,7 1,8 1,9 10.868,10 10.868,11 10.868,12 5.889,13 11.003,14 4.128,15 4.128,16 2.403,17 18.075,18 14.078,20 1,21 3.63,22 3.63,23 1,24 59.469,25 1,26 1,27 5.63,28 0.316,29 3.146,30 3.146,31 5.146,32 3.146,33 5.224,35 2.599,36 6.85,37 4.112,38 2.045,40 0.782,41 4.584,42 4.584,44 1.005,45 8.526,46 9.048,47 3.925,48 1.614,49 3.79,50 2.341,51 2.341,52 10.216,53 2.271,54 75.381,55 11.912,56 0.706,57 7.625,58 1.8,59 5.509,60 2,61 0.347,62 1.886,63 5,64 1.127,65 0.127,66 5.211,67 -0.736,68 1.636,69 7.745}
{0 CHEMBL219935,1 1,2 1,3 3.283,4 6.63,5 6.63,6 3.685,7 1,8 1,9 10.51,10 10.51,11 10.51,12 5.889,13 10.971,14 4.1,15 4.1,16 2.399,17 17.709,18 14.077,20 1,21 3.63,22 3.63,23 1,24 59.469,25 1,26 1,27 5.63,28 0.34,29 3.118,30 3.118,31 5.118,32 3.118,33 5.195,35 2.527,36 6.85,37 4.112,38 2.034,40 0.817,41 4.567,42 4.567,44 0.988,45 8.526,46 9.023,47 3.925,48 1.527,49 3.768,50 2.341,51 2.341,52 10.216,53 2.309,54 65.905,55 11.912,56 0.69,57 7.625,58 1.9,59 5.49,60 2,61 0.365,62 1.886,63 5,64 1.137,65 0.135,66 5.21,67 -0.732,68 1.518,69 6.544}
{0 CHEMBL219944,1 1,2 1,3 3.283,4 6.546,5 6.546,6 3.685,7 1,8 1,9 10.357,10 10.357,11 10.357,12 5.889,13 10.98,14 4.092,15 4.092,16 2.403,17 17.144,18 21.587,21 3.63,22 3.63,23 1,24 42.683,25 1,26 1,27 5.63,28 0.281,29 3.095,30 3.095,31 5.095,32 3.095,33 5.181,35 2.527,36 6.85,37 4.112,38 2.054,40 0.798,41 4.378,42 4.378,43 1,44 0.867,45 8.526,46 9.03,47 3.925,48 1.527,49 3.8,50 2.341,51 2.341,52 10.216,54 85.286,55 11.912,56 0.706,57 7.625,58 1.8,59 5.299,60 2,61 0.362,62 1.887,63 6,64 1.116,65 0.129,66 5.21,67 -0.736,68 1.518,69 8.638}
{0 CHEMBL220058,1 1,2 1,3 3.283,4 6.546,5 6.546,6 3.685,7 1,8 1,9 10.357,10 10.357,11 10.357,12 5.889,13 10.983,14 4.092,15 4.092,16 2.4,17 17.144,18 24.447,21 3.63,22 3.63,23 1,24 42.683,25 1,26 1,27 5.63,28 0.279,29 3.095,30 3.095,31 5.095,32 3.095,33 5.181,35 2.527,36 6.85,37 4.112,38 2.084,40 0.798,41 4.378,42 4.378,44 0.908,45 8.526,46 9.032,47 3.925,48 1.527,49 3.8,50 2.341,51 2.341,52 10.216,54 113.715,55 11.912,56 0.706,57 7.625,59 5.299,60 2,61 0.392,62 1.901,63 6,64 1.038,65 0.133,66 5.21,67 -0.733,68 1.518,69 7.367}
{0 CHEMBL220059,1 1,2 1,3 3.283,4 6.546,5 6.546,6 3.712,7 1,8 1,9 10.357,10 10.357,11 10.357,12 5.889,13 11.014,14 4.092,15 4.092,16 2.41,17 17.144,18 13.878,21 3.63,22 3.63,23 1,24 42.683,25 1,26 1,27 5.63,28 0.325,29 3.095,30 3.095,31 5.095,32 3.095,33 5.193,35 2.639,36 6.85,37 4.112,38 2.004,40 0.818,41 4.378,42 4.378,43 1,44 0.918,45 8.526,46 9.056,47 3.925,48 1.527,49 4.072,50 2.341,51 2.341,52 10.216,54 64.507,55 11.912,56 0.706,57 7.625,58 1.7,59 5.302,60 2,61 0.427,62 1.885,63 8,64 1.145,65 0.117,66 5.215,67 -0.743,68 1.537,69 8.569}
{0 CHEMBL220060,1 1,2 1,3 3.283,4 6.546,5 6.546,6 3.712,7 1,8 1,9 10.357,10 10.357,11 10.357,12 5.889,13 10.95,14 4.092,15 4.092,16 2.404,17 17.144,18 11.858,21 3.63,22 3.63,23 1,24 42.683,25 1,26 1,27 5.63,28 0.316,29 3.095,30 3.095,31 5.095,32 3.095,33 5.183,35 2.639,36 6.85,37 4.112,38 2.015,40 0.787,41 4.378,42 4.378,43 1,44 0.858,45 8.526,46 9.005,47 3.925,48 1.527,49 3.725,50 2.341,51 2.341,52 10.216,54 56.857,55 11.912,56 0.613,57 7.625,59 5.302,60 2,61 0.289,62 1.886,63 6,64 1.214,65 0.129,66 5.215,67 -0.738,68 1.518,69 8.125}
{0 CHEMBL220117,1 1,2 1,3 3.55,4 7.121,5 7.121,6 3.685,7 1,8 1,9 11.714,10 11.714,11 11.714,12 5.889,13 11.071,14 4.317,15 4.317,16 2.4,17 18.77,18 14.637,21 3.63,22 3.63,23 1,24 42.683,25 1,26 1,27 5.63,28 0.285,29 3.334,30 3.334,31 5.334,32 3.334,33 5.42,35 2.527,36 6.85,37 4.112,38 2.048,40 0.811,41 4.506,42 4.506,44 1.153,45 8.526,46 9.104,47 3.925,48 1.724,49 4.293,50 2.341,51 2.341,52 10.216,54 64.507,55 11.912,56 0.994,57 7.625,58 1.4,59 5.432,60 2,61 0.396,62 1.987,63 8,64 1.157,65 0.125,66 5.21,67 -0.734,68 1.761,69 7.959}
{0 CHEMBL220124,1 1,2 1,3 3.283,4 6.546,5 6.546,6 3.712,7 1,8 1,9 10.357,10 10.357,11 10.357,12 5.889,13 11.001,14 4.092,15 4.092,16 2.41,17 17.144,18 15.538,21 3.63,22 3.63,23 1,24 42.683,25 1,26 1,27 5.63,28 0.302,29 3.095,30 3.095,31 5.095,32 3.095,33 5.191,35 2.639,36 6.85,37 4.112,38 2.004,40 0.83,41 4.378,42 4.378,43 1,44 0.894,45 8.526,46 9.046,47 3.925,48 1.527,49 3.992,50 2.341,51 2.341,52 10.216,54 64.507,55 11.912,56 0.586,57 7.625,58 1.8,59 5.302,60 2,61 0.396,62 1.885,63 7,64 1.132,65 0.118,66 5.215,67 -0.743,68 1.519,69 9.237}
{0 CHEMBL220151,1 1,2 1,3 3.588,4 6.546,5 6.546,6 3.834,7 1,8 1,9 10.357,10 10.357,11 10.357,12 5.889,13 22.78,14 4.092,15 4.092,16 2.421,17 17.144,18 11.58,21 3.63,22 3.63,23 1,24 42.683,25 1,26 1,27 5.63,28 0.359,29 3.105,30 3.105,31 5.105,32 3.105,33 5.206,35 2.849,36 6.865,37 4.112,38 2.004,40 0.737,41 4.478,42 4.478,43 1,44 0.981,45 8.53,46 9.073,47 3.925,48 1.569,49 4.234,50 2.341,51 2.341,52 10.217,54 56.857,55 11.912,56 0.706,57 7.625,58 1.6,59 5.402,60 2,61 0.483,62 1.885,63 9,64 1.152,65 0.099,66 5.261,67 -0.738,68 1.59,69 8.469}
{0 CHEMBL220152,1 1,2 1,3 3.283,4 6.546,5 6.546,6 3.738,7 1,8 1,9 10.357,10 10.357,11 10.357,12 5.889,13 11.043,14 4.092,15 4.092,16 2.413,17 17.144,18 11.79,21 3.63,22 3.63,23 1,24 42.683,25 1,26 1,27 5.63,28 0.329,29 3.095,30 3.095,31 5.095,32 3.095,33 5.214,35 2.739,36 6.851,37 4.112,38 2.004,40 0.908,41 4.437,42 4.437,43 2,44 0.91,45 8.526,46 9.079,47 3.925,48 1.586,49 4.19,50 2.341,51 2.341,52 10.216,54 56.857,55 11.912,56 0.84,57 7.625,58 1.5,59 5.361,60 2,61 0.4,62 1.885,63 9,64 1.212,65 0.109,66 5.219,67 -0.747,68 1.641,69 8.222}
{0 CHEMBL220173,1 1,2 1,3 3.63,4 6.595,5 6.595,6 3.795,7 1,8 1,9 10.389,10 10.389,11 10.389,12 5.894,13 23.424,14 4.092,15 4.092,16 2.423,17 17.353,18 11.58,21 3.694,22 3.694,23 1,24 42.683,25 1,26 1,27 5.694,28 0.363,29 3.141,30 3.141,31 5.141,32 3.141,33 5.215,35 2.826,36 6.857,37 4.127,38 2.004,40 1.111,41 4.498,42 4.498,43 1,44 0.862,45 8.528,46 9.088,47 3.925,48 1.647,49 4.254,50 2.341,51 2.341,52 10.216,54 56.857,55 11.912,56 0.783,57 7.627,58 2.9,59 5.422,60 2,61 0.511,62 1.885,63 9,64 1.287,65 0.096,66 5.24,67 -0.814,68 1.669,69 8.678}
{0 CHEMBL220204,1 1,2 1,3 3.348,4 6.8,5 6.8,6 3.685,7 1,8 1,9 11.192,10 11.192,11 11.192,12 5.889,13 11.016,14 4.198,15 4.198,16 2.405,17 18.565,18 10.033,21 3.63,22 3.63,23 1,24 42.683,25 1,26 1,27 5.63,28 0.343,29 3.209,30 3.209,31 5.209,32 3.209,33 5.293,35 2.527,36 6.85,37 4.112,38 2.052,40 0.861,41 4.65,42 4.65,44 0.96,45 8.526,46 9.058,47 3.925,48 1.634,49 3.938,50 2.341,51 2.341,52 10.216,53 1.869,54 47.381,55 11.912,56 0.723,57 7.625,58 1.7,59 5.576,60 2,61 0.357,62 1.886,63 6,64 1.154,65 0.123,66 5.21,67 -0.738,68 1.628,69 8.678}
{0 CHEMBL220205,1 1,2 1,3 3.317,4 6.75,5 6.75,6 3.685,7 1,8 1,9 10.93,10 10.93,11 10.93,12 5.889,13 10.979,14 4.177,15 4.177,16 2.406,17 18.29,18 9.922,21 3.63,22 3.63,23 1,24 42.683,25 1,26 1,27 5.63,28 0.369,29 3.189,30 3.189,31 5.189,32 3.189,33 5.272,35 2.527,36 6.85,37 4.112,38 2.029,40 0.886,41 4.638,42 4.638,44 0.843,45 8.526,46 9.028,47 3.925,48 1.527,49 3.914,50 2.341,51 2.341,52 10.216,53 1.788,54 47.381,55 11.912,56 0.706,57 7.625,58 1.9,59 5.561,60 2,61 0.425,62 1.886,63 6,64 1.125,65 0.124,66 5.21,67 -0.74,68 1.518,69 8.092}
{0 CHEMBL220223,1 1,2 1,3 3.283,4 6.546,5 6.546,6 3.685,7 1,8 1,9 10.357,10 10.357,11 10.357,12 5.889,13 11.064,14 4.092,15 4.092,16 2.397,17 17.144,18 12.572,21 3.63,22 3.63,23 1,24 42.683,25 1,26 1,27 5.63,28 0.322,29 3.095,30 3.095,31 5.095,32 3.095,33 5.24,35 2.527,36 6.85,37 4.112,38 2.047,40 0.87,41 4.456,42 4.456,44 1.05,45 8.526,46 9.099,47 3.925,48 1.706,49 4.213,50 2.341,51 2.341,52 10.216,54 56.857,55 11.912,56 0.993,57 7.625,58 1.5,59 5.382,60 2,61 0.388,62 1.886,63 9,64 1.101,65 0.13,66 5.21,67 -0.73,68 1.745,69 8.456}
{0 CHEMBL220224,1 1,2 1,3 3.283,4 6.546,5 6.546,6 3.712,7 1,8 1,9 10.357,10 10.357,11 10.357,12 5.889,13 10.988,14 4.092,15 4.092,16 2.406,17 17.144,18 15.752,21 3.63,22 3.63,23 1,24 42.683,25 1,26 1,27 5.63,28 0.302,29 3.095,30 3.095,31 5.095,32 3.095,33 5.196,35 2.639,36 6.85,37 4.112,38 2.006,40 0.832,41 4.378,42 4.378,44 0.952,45 8.526,46 9.036,47 3.925,48 1.527,49 3.902,50 2.341,51 2.341,52 10.216,54 73.983,55 11.912,56 0.622,57 7.625,58 1.8,59 5.299,60 2,61 0.356,62 1.885,63 7,64 1.132,65 0.124,66 5.215,67 -0.74,68 1.518,69 8.886}
{0 CHEMBL220281,1 1,2 1,3 3.602,4 7.224,5 7.224,6 3.895,7 1,8 1,9 12.052,10 12.052,11 12.052,12 6.111,13 23.772,14 4.304,15 4.304,16 2.711,17 18.92,18 14.26,20 3,21 4.099,22 4.099,23 1,24 60.694,25 1,27 6.099,28 0.307,29 3.352,30 3.352,31 5.352,32 3.352,33 5.428,34 1,35 2.708,36 7.141,37 4.238,38 2.025,40 1.458,41 4.468,42 4.468,44 0.93,45 8.879,46 9.137,47 4.104,48 1.276,49 4.06,50 2.423,51 2.423,52 10.635,54 75.81,55 12.399,56 0.469,57 7.928,58 3.9,59 5.349,60 2,61 0.709,62 1.865,63 7,64 1.101,66 5.451,67 -1.241,68 1.308,69 5.268}
{0 CHEMBL220325,1 1,2 1,3 3.283,4 6.546,5 6.546,6 3.685,7 1,8 1,9 10.357,10 10.357,11 10.357,12 5.889,13 10.992,14 4.092,15 4.092,16 2.403,17 17.144,18 19.999,21 3.63,22 3.63,23 1,24 42.683,25 1,26 1,27 5.63,28 0.305,29 3.095,30 3.095,31 5.095,32 3.095,33 5.181,35 2.527,36 6.85,37 4.112,38 2.053,40 0.813,41 4.378,42 4.378,44 0.95,45 8.526,46 9.039,47 3.925,48 1.527,49 3.874,50 2.341,51 2.341,52 10.216,54 94.762,55 11.912,56 0.706,57 7.625,58 1.7,59 5.299,60 2,61 0.381,62 1.899,63 7,64 1.13,65 0.128,66 5.21,67 -0.736,68 1.518,69 8.658}
{0 CHEMBL220388,1 1,2 1,3 3.283,4 6.546,5 6.546,6 3.712,7 1,8 1,9 10.357,10 10.357,11 10.357,12 5.889,13 11.001,14 4.092,15 4.092,16 2.408,17 17.144,18 19.205,21 3.63,22 3.63,23 1,24 42.683,25 1,26 1,27 5.63,28 0.299,29 3.095,30 3.095,31 5.095,32 3.095,33 5.181,35 2.639,36 6.85,37 4.112,38 2.044,40 0.794,41 4.378,42 4.378,43 2,44 0.896,45 8.526,46 9.046,47 3.925,48 1.527,49 3.894,50 2.341,51 2.341,52 10.216,54 75.81,55 11.912,56 0.706,57 7.625,58 1.7,59 5.299,60 2,61 0.352,62 1.887,63 7,64 1.18,65 0.121,66 5.215,67 -0.741,68 1.519,69 7.367}
{0 CHEMBL220421,1 1,2 1,3 3.283,4 6.546,5 6.546,6 3.685,7 1,8 1,9 10.357,10 10.357,11 10.357,12 5.889,13 10.933,14 4.092,15 4.092,16 2.396,17 17.144,18 14.228,21 3.63,22 3.63,23 1,24 42.683,25 1,26 1,27 5.63,28 0.284,29 3.095,30 3.095,31 5.095,32 3.095,33 5.179,35 2.527,36 6.85,37 4.112,38 2.047,40 0.8,41 4.378,42 4.378,44 0.923,45 8.526,46 8.993,47 3.925,48 1.526,49 3.725,50 2.341,51 2.341,52 10.216,54 66.334,55 11.912,56 0.706,57 7.625,59 5.299,60 2,61 0.298,62 1.886,63 5,64 1.155,65 0.143,66 5.21,67 -0.729,68 1.517,69 8.051}
{0 CHEMBL220422,1 1,2 1,3 3.63,4 7.111,5 7.111,6 5.579,7 1,8 1,9 11.657,10 11.657,11 11.657,12 9.418,13 10.911,14 4.17,15 4.17,16 5.601,17 18.533,18 10.324,21 4.46,22 4.46,23 1,24 42.683,25 1,26 1,27 6.46,28 0.276,29 3.313,30 3.313,31 5.313,32 3.313,33 5.258,35 3.477,36 10.755,37 6.762,38 2.006,40 0.862,41 4.439,42 4.439,44 0.714,45 13.424,46 8.966,47 5.409,48 1.442,49 3.82,50 3.825,51 3.825,52 16.102,54 66.334,55 18.784,56 0.457,57 12.086,59 5.36,60 2,61 0.871,62 1.885,63 5,64 0.93,65 0.068,66 8.114,67 -0.786,68 1.353,69 8.377}
{0 CHEMBL220430,1 1,2 1,3 3.283,4 6.546,5 6.546,6 3.712,7 1,8 1,9 10.357,10 10.357,11 10.357,12 5.889,13 10.967,14 4.092,15 4.092,16 2.403,17 17.144,18 11.934,21 3.63,22 3.63,23 1,24 42.683,25 1,26 1,27 5.63,28 0.304,29 3.095,30 3.095,31 5.095,32 3.095,33 5.185,35 2.639,36 6.85,37 4.112,38 2.017,40 0.807,41 4.378,42 4.378,43 1,44 1.014,45 8.526,46 9.019,47 3.925,48 1.528,49 3.725,50 2.341,51 2.341,52 10.216,54 56.857,55 11.912,56 0.706,57 7.625,59 5.303,60 2,61 0.254,62 1.886,63 6,64 1.226,65 0.129,66 5.215,67 -0.737,68 1.519,69 8.658}
{0 CHEMBL220431,1 1,2 1,3 3.283,4 6.546,5 6.546,6 3.685,7 1,8 1,9 10.357,10 10.357,11 10.357,12 5.889,13 10.965,14 4.092,15 4.092,16 2.406,17 17.144,18 16.823,21 3.63,22 3.63,23 1,24 42.683,25 1,26 1,27 5.63,28 0.288,29 3.095,30 3.095,31 5.095,32 3.095,33 5.187,35 2.527,36 6.85,37 4.112,38 2.007,40 0.803,41 4.378,42 4.378,43 1,44 0.858,45 8.526,46 9.017,47 3.925,48 1.52,49 3.807,50 2.341,51 2.341,52 10.216,54 66.334,55 11.912,56 0.465,57 7.625,58 5.8,59 5.299,60 2,61 0.392,62 1.885,63 5,64 1.239,65 0.126,66 5.21,67 -0.74,68 1.499,69 7.959}
{0 CHEMBL220448,1 1,2 1,3 3.283,4 6.546,5 6.546,6 3.685,7 1,8 1,9 10.357,10 10.357,11 10.357,12 5.889,13 10.978,14 4.092,15 4.092,16 2.406,17 17.144,18 18.948,21 3.63,22 3.63,23 1,24 42.683,25 1,26 1,27 5.63,28 0.283,29 3.095,30 3.095,31 5.095,32 3.095,33 5.181,35 2.527,36 6.85,37 4.112,38 2.035,40 0.792,41 4.378,42 4.378,43 2,44 0.83,45 8.526,46 9.027,47 3.925,48 1.527,49 3.8,50 2.341,51 2.341,52 10.216,54 66.334,55 11.912,56 0.703,57 7.625,58 3.7,59 5.299,60 2,61 0.333,62 1.886,63 6,64 1.194,65 0.126,66 5.21,67 -0.739,68 1.517,69 7.959}
{0 CHEMBL220507,1 1,2 1,3 3.283,4 6.546,5 6.546,6 3.712,7 1,8 1,9 10.357,10 10.357,11 10.357,12 5.889,13 10.941,14 4.092,15 4.092,16 2.402,17 17.144,18 13.604,21 3.63,22 3.63,23 1,24 42.683,25 1,26 1,27 5.63,28 0.276,29 3.095,30 3.095,31 5.095,32 3.095,33 5.182,35 2.639,36 6.85,37 4.112,38 2.005,40 0.838,41 4.378,42 4.378,44 0.879,45 8.526,46 8.998,47 3.925,48 1.527,49 3.725,50 2.341,51 2.341,52 10.216,54 66.334,55 11.912,56 0.706,57 7.625,59 5.299,60 2,61 0.463,62 1.885,63 5,64 1.214,65 0.133,66 5.215,67 -0.735,68 1.518,69 8.18}
{0 CHEMBL220508,1 1,2 1,3 3.63,4 6.546,5 6.546,6 4.306,7 1,8 1,9 10.357,10 10.357,11 10.357,12 5.889,13 10.919,14 4.092,15 4.092,16 2.412,17 17.144,18 12.973,21 4.057,22 4.057,23 1,24 42.683,25 1,26 1,27 6.057,28 0.286,29 3.095,30 3.095,31 5.095,32 3.095,33 5.179,35 3.035,36 7.334,37 4.112,38 2.006,40 0.836,41 4.378,42 4.378,44 0.924,45 8.919,46 8.978,47 4.376,48 1.344,49 3.725,50 2.341,51 2.341,52 10.529,54 66.334,55 12.159,56 0.454,57 7.625,58 2.1,59 5.298,60 2,61 0.535,62 1.885,63 5,64 1.083,65 0.123,66 5.784,67 -0.745,68 1.315,69 8.137}
{0 CHEMBL220557,1 1,2 1,3 3.283,4 6.546,5 6.546,6 3.712,7 1,8 1,9 10.357,10 10.357,11 10.357,12 5.889,13 11.025,14 4.092,15 4.092,16 2.409,17 17.144,18 13.978,21 3.63,22 3.63,23 1,24 42.683,25 1,26 1,27 5.63,28 0.314,29 3.095,30 3.095,31 5.095,32 3.095,33 5.194,35 2.639,36 6.85,37 4.112,38 2.004,40 0.857,41 4.378,42 4.378,43 1,44 0.968,45 8.526,46 9.065,47 3.925,48 1.527,49 4.086,50 2.341,51 2.341,52 10.216,54 64.507,55 11.912,56 0.706,57 7.625,58 1.6,59 5.303,60 2,61 0.408,62 1.885,63 8,64 1.157,65 0.116,66 5.215,67 -0.742,68 1.538,69 8.602}
{0 CHEMBL220570,1 1,2 1,3 3.63,4 7.111,5 7.111,6 5.579,7 1,8 1,9 11.659,10 11.659,11 11.659,12 9.418,13 10.987,14 4.173,15 4.173,16 5.654,17 18.557,18 16.049,21 4.46,22 4.46,23 1,24 42.683,25 1,26 1,27 6.46,28 0.289,29 3.315,30 3.315,31 5.315,32 3.315,33 5.262,35 3.477,36 10.755,37 6.762,38 2.043,40 0.825,41 4.452,42 4.452,44 0.916,45 13.424,46 9.029,47 5.409,48 1.527,49 4.202,50 3.825,51 3.825,52 16.102,54 85.286,55 18.784,56 0.706,57 12.086,58 1.7,59 5.373,60 2,61 1.015,62 1.887,63 7,64 0.938,65 0.08,66 8.114,67 -0.774,68 1.518,69 9.022}
{0 CHEMBL220627,1 1,2 1,3 3.283,4 6.546,5 6.546,6 3.712,7 1,8 1,9 10.357,10 10.357,11 10.357,12 5.889,13 10.927,14 4.092,15 4.092,16 2.403,17 17.144,18 13.493,21 3.63,22 3.63,23 1,24 42.683,25 1,26 1,27 5.63,28 0.288,29 3.095,30 3.095,31 5.095,32 3.095,33 5.18,35 2.639,36 6.85,37 4.112,38 2.004,40 0.825,41 4.378,42 4.378,44 0.873,45 8.526,46 8.986,47 3.925,48 1.507,49 3.725,50 2.341,51 2.341,52 10.216,54 66.334,55 11.912,56 0.573,57 7.625,59 5.299,60 2,61 0.376,62 1.885,63 5,64 1.201,65 0.134,66 5.215,67 -0.736,68 1.514,69 8.174}
{0 CHEMBL220628,1 1,2 1,3 3.283,4 6.546,5 6.546,6 3.685,7 1,8 1,9 10.357,10 10.357,11 10.357,12 5.889,13 10.919,14 4.092,15 4.092,16 2.396,17 17.144,18 14.04,21 3.63,22 3.63,23 1,24 42.683,25 1,26 1,27 5.63,28 0.296,29 3.095,30 3.095,31 5.095,32 3.095,33 5.178,35 2.527,36 6.85,37 4.112,38 2.031,40 0.759,41 4.378,42 4.378,44 0.91,45 8.526,46 8.982,47 3.925,48 1.422,49 3.725,50 2.341,51 2.341,52 10.216,54 66.334,55 11.912,56 0.598,57 7.625,59 5.298,60 2,61 0.27,62 1.886,63 5,64 1.139,65 0.143,66 5.21,67 -0.73,68 1.462,69 7.252}
{0 CHEMBL2206302,1 1,2 1,3 3.192,4 6.371,5 6.371,6 3.846,7 1,8 1,9 9.879,10 9.879,11 9.879,12 6.112,13 10.947,14 4.014,15 4.014,16 2.642,17 16.483,18 15.456,20 1,21 3.774,22 3.774,23 1,24 42.683,25 1,27 5.774,28 0.267,29 3.056,30 3.056,31 5.056,32 3.056,33 5.071,35 2.578,36 7.138,37 4.243,38 2.055,40 1.033,41 4.484,42 4.484,43 1,44 0.991,45 8.878,46 8.977,47 4.104,48 1.626,49 3.828,50 2.423,51 2.423,52 10.635,53 1.685,54 75.81,55 12.399,56 0.881,57 7.928,58 3.2,59 5.428,60 2,61 0.434,62 1.993,63 3,64 1.394,65 -0.867,66 5.438,67 -0.975,68 1.65,69 6.886}
{0 CHEMBL2206303,1 1,2 1,3 3.192,4 6.371,5 6.371,6 3.846,7 1,8 1,9 9.879,10 9.879,11 9.879,12 6.112,13 10.947,14 4.014,15 4.014,16 2.642,17 16.483,18 15.456,20 1,21 3.774,22 3.774,23 1,24 42.683,25 1,27 5.774,28 0.267,29 3.056,30 3.056,31 5.056,32 3.056,33 5.071,35 2.578,36 7.138,37 4.243,38 2.055,40 1.033,41 4.484,42 4.484,43 1,44 0.991,45 8.878,46 8.977,47 4.104,48 1.626,49 3.828,50 2.423,51 2.423,52 10.635,53 1.685,54 75.81,55 12.399,56 0.881,57 7.928,58 3.2,59 5.428,60 2,61 0.434,62 1.993,63 3,64 1.394,65 -0.867,66 5.438,67 -0.975,68 1.65,69 6.071}
{0 CHEMBL2206304,1 1,2 1,3 3.192,4 6.371,5 6.371,6 3.846,7 1,8 1,9 9.879,10 9.879,11 9.879,12 6.112,13 10.616,14 4.014,15 4.014,16 2.646,17 16.483,18 15.418,20 1,21 3.627,22 3.627,23 1,24 42.683,25 1,27 5.627,28 0.241,29 3.056,30 3.056,31 5.056,32 3.056,33 5.067,35 2.578,36 7.138,37 4.243,38 2.055,40 0.526,41 4.484,42 4.484,43 1,44 1.018,45 8.878,46 8.709,47 4.104,48 1.619,49 3.777,50 2.423,51 2.423,52 10.635,53 1.687,54 75.81,55 12.399,56 0.753,57 7.928,58 3.3,59 5.428,60 2,61 0.419,62 1.993,63 3,64 1.39,66 5.438,67 -0.98,68 1.617,69 6.244}
{0 CHEMBL220635,1 1,2 1,3 3.283,4 6.546,5 6.546,6 3.685,7 1,8 1,9 10.357,10 10.357,11 10.357,12 5.889,13 10.993,14 4.092,15 4.092,16 2.401,17 17.144,18 16.192,21 3.63,22 3.63,23 1,24 42.683,25 1,26 1,27 5.63,28 0.299,29 3.095,30 3.095,31 5.095,32 3.095,33 5.193,35 2.527,36 6.85,37 4.112,38 2.006,40 0.85,41 4.378,42 4.378,44 0.969,45 8.526,46 9.04,47 3.925,48 1.527,49 3.902,50 2.341,51 2.341,52 10.216,54 73.983,55 11.912,56 0.706,57 7.625,58 1.7,59 5.299,60 2,61 0.379,62 1.885,63 7,64 1.097,65 0.13,66 5.21,67 -0.735,68 1.518,69 8.357}
{0 CHEMBL220662,1 1,2 1,3 3.63,4 6.595,5 6.595,6 3.77,7 1,8 1,9 10.39,10 10.39,11 10.39,12 5.894,13 23.52,14 4.092,15 4.092,16 2.413,17 17.354,18 12.141,21 3.694,22 3.694,23 1,24 42.683,25 1,26 1,27 5.694,28 0.35,29 3.141,30 3.141,31 5.141,32 3.141,33 5.215,35 2.734,36 6.856,37 4.127,38 2.047,40 1.103,41 4.498,42 4.498,44 0.948,45 8.527,46 9.11,47 3.925,48 1.732,49 4.256,50 2.341,51 2.341,52 10.216,54 56.857,55 11.912,56 0.914,57 7.627,58 2.7,59 5.424,60 2,61 0.518,62 1.886,63 9,64 1.261,65 0.107,66 5.236,67 -0.77,68 1.765,69 8.357}
{0 CHEMBL220681,1 1,2 1,3 3.283,4 6.546,5 6.546,6 3.712,7 1,8 1,9 10.357,10 10.357,11 10.357,12 5.889,13 10.965,14 4.092,15 4.092,16 2.404,17 17.144,18 12.01,21 3.63,22 3.63,23 1,24 42.683,25 1,26 1,27 5.63,28 0.304,29 3.095,30 3.095,31 5.095,32 3.095,33 5.183,35 2.639,36 6.85,37 4.112,38 2.032,40 0.808,41 4.378,42 4.378,43 1,44 0.906,45 8.526,46 9.018,47 3.925,48 1.527,49 3.725,50 2.341,51 2.341,52 10.216,54 56.857,55 11.912,56 0.706,57 7.625,59 5.302,60 2,61 0.269,62 1.886,63 6,64 1.226,65 0.129,66 5.215,67 -0.737,68 1.52,69 8.569}
{0 CHEMBL220751,1 1,2 1,3 4.099,4 7.224,5 7.224,6 5.681,7 1,8 1,9 12.052,10 12.052,11 12.052,12 6.111,13 46.36,14 4.304,15 4.304,16 4.525,17 18.92,18 13.206,20 3,21 5.052,22 5.052,23 1,24 60.694,25 1,27 7.052,28 0.276,29 3.352,30 3.352,31 5.352,32 3.352,33 5.429,35 3.613,36 10.344,37 4.238,38 2.025,40 1.103,41 4.644,42 4.644,44 0.936,45 12.726,46 9.156,47 6.648,48 1.555,49 4.438,50 3.324,51 3.324,52 15.119,54 83.56,55 17.516,56 0.664,57 7.928,58 3.4,59 5.525,60 2,61 0.635,62 1.865,63 7,64 1.223,66 7.983,67 -1.341,68 1.559,69 5}
{0 CHEMBL220785,1 1,2 1,3 3.283,4 6.546,5 6.546,6 3.685,7 1,8 1,9 10.357,10 10.357,11 10.357,12 5.889,13 10.938,14 4.092,15 4.092,16 2.396,17 17.144,18 12.22,21 3.63,22 3.63,23 1,24 42.683,25 1,26 1,27 5.63,28 0.324,29 3.095,30 3.095,31 5.095,32 3.095,33 5.18,35 2.527,36 6.85,37 4.112,38 2.05,40 0.805,41 4.378,42 4.378,44 1.016,45 8.526,46 8.997,47 3.925,48 1.504,49 3.725,50 2.341,51 2.341,52 10.216,54 56.857,55 11.912,56 0.705,57 7.625,59 5.3,60 2,61 0.358,62 1.886,63 6,64 1.155,65 0.141,66 5.21,67 -0.73,68 1.517,69 8.337}
{0 CHEMBL220817,1 1,2 1,3 3.599,4 6.967,5 6.967,6 3.72,7 1,8 1,9 11.809,10 11.809,11 11.809,12 5.889,13 24.306,14 4.267,15 4.267,16 2.546,17 19.202,18 21.381,20 4,21 3.636,22 3.636,23 1,24 60.694,25 1,26 1,27 5.636,28 0.316,29 3.272,30 3.272,31 5.272,32 3.272,33 5.342,35 2.586,36 6.852,37 4.112,38 2.06,40 1.03,41 4.627,42 4.627,43 2,44 1.038,45 8.526,46 9.007,47 3.925,48 1.518,49 4.106,50 2.341,51 2.341,52 10.216,54 113.715,55 11.912,56 0.634,57 7.625,58 3.4,59 5.554,60 2,61 1.04,62 1.92,63 9,64 1.027,66 5.221,67 -1.262,68 1.506,69 6.013}
{0 CHEMBL220836,1 1,2 1,3 3.283,4 6.546,5 6.546,6 3.712,7 1,8 1,9 10.357,10 10.357,11 10.357,12 5.889,13 11.043,14 4.092,15 4.092,16 2.404,17 17.144,18 21.798,21 3.63,22 3.63,23 1,24 42.683,25 1,26 1,27 5.63,28 0.278,29 3.095,30 3.095,31 5.095,32 3.095,33 5.19,35 2.639,36 6.85,37 4.112,38 2.048,40 0.86,41 4.378,42 4.378,44 1.013,45 8.526,46 9.081,47 3.925,48 1.712,49 3.921,50 2.341,51 2.341,52 10.216,54 104.239,55 11.912,56 0.946,57 7.625,59 5.304,60 2,61 0.405,62 1.984,63 7,64 1.131,65 0.122,66 5.215,67 -0.737,68 1.745,69 8.721}
{0 CHEMBL220837,1 1,2 1,3 3.283,4 6.546,5 6.546,6 3.685,7 1,8 1,9 10.357,10 10.357,11 10.357,12 5.889,13 10.993,14 4.092,15 4.092,16 2.402,17 17.144,18 14.082,21 3.63,22 3.63,23 1,24 42.683,25 1,26 1,27 5.63,28 0.332,29 3.095,30 3.095,31 5.095,32 3.095,33 5.196,35 2.527,36 6.85,37 4.112,38 2.006,40 0.845,41 4.391,42 4.391,44 0.934,45 8.526,46 9.041,47 3.925,48 1.528,49 3.986,50 2.341,51 2.341,52 10.216,54 66.334,55 11.912,56 0.706,57 7.625,58 1.7,59 5.312,60 2,61 0.336,62 1.885,63 8,64 1.097,65 0.13,66 5.21,67 -0.735,68 1.519,69 8.538}
{0 CHEMBL220893,1 1,2 1,3 3.283,4 6.546,5 6.546,6 3.685,7 1,8 1,9 10.357,10 10.357,11 10.357,12 5.889,13 11.015,14 4.092,15 4.092,16 2.402,17 17.144,18 24.645,21 3.63,22 3.63,23 1,24 59.469,25 1,26 1,27 5.63,28 0.318,29 3.095,30 3.095,31 5.095,32 3.095,33 5.182,35 2.527,36 6.85,37 4.112,38 2.086,40 0.799,41 4.462,42 4.462,44 0.942,45 8.526,46 9.058,47 3.925,48 1.696,49 4.126,50 2.341,51 2.341,52 10.216,53 2.347,54 113.286,55 11.912,56 0.706,57 7.625,58 1.7,59 5.383,60 2,61 0.37,62 1.904,63 6,64 1.047,65 0.128,66 5.21,67 -0.735,68 1.692,69 8.824}
{0 CHEMBL220894,1 1,2 1,3 3.283,4 6.546,5 6.546,6 3.738,7 1,8 1,9 10.357,10 10.357,11 10.357,12 5.889,13 11.031,14 4.092,15 4.092,16 2.414,17 17.144,18 13.643,21 3.63,22 3.63,23 1,24 42.683,25 1,26 1,27 5.63,28 0.308,29 3.095,30 3.095,31 5.095,32 3.095,33 5.204,35 2.739,36 6.851,37 4.112,38 2.004,40 0.844,41 4.379,42 4.379,43 2,44 0.951,45 8.526,46 9.069,47 3.925,48 1.527,49 4.088,50 2.341,51 2.341,52 10.216,54 64.507,55 11.912,56 0.706,57 7.625,58 1.6,59 5.303,60 2,61 0.37,62 1.885,63 8,64 1.202,65 0.11,66 5.219,67 -0.747,68 1.538,69 8.469}
{0 CHEMBL220926,1 1,2 1,3 4.099,4 7.224,5 7.224,6 5.618,7 1,8 1,9 12.052,10 12.052,11 12.052,12 9.426,13 24.191,14 4.304,15 4.304,16 5.669,17 19.169,18 11.421,20 1,21 4.46,22 4.46,23 1,24 42.683,25 1,27 6.46,28 0.31,29 3.352,30 3.352,31 5.352,32 3.352,33 5.431,35 3.569,36 10.761,37 6.772,38 2.028,40 1.187,41 4.506,42 4.506,44 0.708,45 13.427,46 9.168,47 5.506,48 1.459,49 4.416,50 3.825,51 3.825,52 16.104,54 75.81,55 18.785,56 0.491,57 12.09,58 3.5,59 5.387,60 2,61 0.683,62 1.867,63 7,64 1.001,66 8.129,67 -1.349,68 1.402,69 5}
{0 CHEMBL220990,1 1,2 1,3 3.292,4 6.546,5 6.546,6 3.685,7 1,8 1,9 10.357,10 10.357,11 10.357,12 5.889,13 10.978,14 4.092,15 4.092,16 2.415,17 17.144,18 14.677,21 3.63,22 3.63,23 1,24 42.683,25 1,26 1,27 5.63,28 0.309,29 3.095,30 3.095,31 5.095,32 3.095,33 5.189,35 2.527,36 6.85,37 4.112,38 2.004,40 0.79,41 4.378,42 4.378,43 2,44 0.81,45 8.526,46 9.026,47 3.925,48 1.522,49 3.975,50 2.341,51 2.341,52 10.216,54 56.857,55 11.912,56 0.523,57 7.625,58 5.8,59 5.301,60 2,61 0.337,62 1.885,63 6,64 1.236,65 0.112,66 5.21,67 -0.748,68 1.512,69 5.652}
{0 CHEMBL221044,1 1,2 1,3 3.63,4 6.546,5 6.546,6 5.719,7 1,8 1,9 10.357,10 10.357,11 10.357,12 5.889,13 11.073,14 4.092,15 4.092,16 2.4,17 17.144,18 12.51,21 4.668,22 4.668,23 1,24 42.683,25 1,26 1,27 6.668,28 0.316,29 3.095,30 3.095,31 5.095,32 3.095,33 5.214,35 3.641,36 10.471,37 4.112,38 2.048,40 0.833,41 4.384,42 4.384,44 1.105,45 12.894,46 9.106,47 6.767,48 1.728,49 4.099,50 3.383,51 3.383,52 15.325,54 56.857,55 17.76,56 0.991,57 7.625,58 1.4,59 5.384,60 2,61 0.426,62 1.952,63 6,64 1.172,65 0.595,66 8.067,67 0.358,68 1.763,69 8.398}
{0 CHEMBL221074,1 1,2 1,3 3.602,4 7.224,5 7.224,6 3.895,7 1,8 1,9 12.052,10 12.052,11 12.052,12 6.111,13 23.97,14 4.315,15 4.315,16 2.705,17 18.973,18 15.316,20 3,21 4.099,22 4.099,23 1,24 60.694,25 1,27 6.099,28 0.282,29 3.352,30 3.352,31 5.352,32 3.352,33 5.44,34 1,35 2.708,36 7.141,37 4.238,38 2.087,40 1.219,41 4.493,42 4.493,44 1.054,45 8.879,46 9.175,47 4.104,48 1.551,49 4.405,50 2.423,51 2.423,52 10.635,54 75.81,55 12.399,56 0.664,57 7.928,58 3.2,59 5.375,60 2,61 0.775,62 1.865,63 7,64 1.158,66 5.451,67 -1.21,68 1.557,69 5}
{0 CHEMBL221100,1 1,2 1,3 3.283,4 6.546,5 6.546,6 3.685,7 1,8 1,9 10.357,10 10.357,11 10.357,12 5.889,13 10.95,14 4.092,15 4.092,16 2.399,17 17.144,18 15.978,20 1,21 3.63,22 3.63,23 1,24 59.469,25 1,26 1,27 5.63,28 0.314,29 3.095,30 3.095,31 5.095,32 3.095,33 5.187,35 2.527,36 6.85,37 4.112,38 2.013,40 0.793,41 4.424,42 4.424,44 0.95,45 8.526,46 9.006,47 3.925,48 1.527,49 3.725,50 2.341,51 2.341,52 10.216,53 2.246,54 75.381,55 11.912,56 0.658,57 7.625,58 2,59 5.345,60 2,61 0.3,62 1.886,63 4,64 1.121,65 0.136,66 5.21,67 -0.733,68 1.518,69 7.62}
{0 CHEMBL221101,1 1,2 1,3 3.283,4 6.546,5 6.546,6 3.685,7 1,8 1,9 10.357,10 10.357,11 10.357,12 5.889,13 11.007,14 4.092,15 4.092,16 2.399,17 17.144,18 14.232,21 3.63,22 3.63,23 1,24 42.683,25 1,26 1,27 5.63,28 0.321,29 3.095,30 3.095,31 5.095,32 3.095,33 5.239,35 2.527,36 6.85,37 4.112,38 2.006,40 0.862,41 4.431,42 4.431,44 0.965,45 8.526,46 9.052,47 3.925,48 1.571,49 4.024,50 2.341,51 2.341,52 10.216,54 66.334,55 11.912,56 0.907,57 7.625,58 1.7,59 5.352,60 2,61 0.357,62 1.885,63 8,64 1.06,65 0.132,66 5.21,67 -0.732,68 1.592,69 8.886}
{0 CHEMBL221146,1 1,2 1,3 4.099,4 7.224,5 7.224,6 5.614,7 1,8 1,9 12.052,10 12.052,11 12.052,12 9.425,13 23.63,14 4.304,15 4.304,16 5.649,17 18.97,18 10.848,20 3,21 4.46,22 4.46,23 1,24 60.694,25 1,27 6.46,28 0.294,29 3.352,30 3.352,31 5.352,32 3.352,33 5.428,35 3.551,36 10.761,37 6.771,38 2.004,40 1.23,41 4.47,42 4.47,44 0.771,45 13.427,46 9.126,47 5.506,48 1.446,49 4.358,50 3.825,51 3.825,52 16.104,54 75.81,55 18.785,56 0.469,57 12.09,58 3.7,59 5.352,60 2,61 0.726,62 1.861,63 7,64 0.939,66 8.129,67 -1.456,68 1.381,69 5.203}
{0 CHEMBL221201,1 1,2 1,3 4.099,4 7.224,5 7.224,6 5.612,7 1,8 1,9 12.052,10 12.052,11 12.052,12 9.425,13 23.756,14 4.304,15 4.304,16 5.662,17 18.973,18 11.592,19 1,20 3,21 4.46,22 4.46,23 1,24 60.694,25 1,27 6.46,28 0.284,29 3.352,30 3.352,31 5.352,32 3.352,33 5.427,34 2,35 3.535,36 10.761,37 6.771,38 2.043,40 1.142,41 4.493,42 4.493,44 0.724,45 13.427,46 9.135,47 5.506,48 1.466,49 4.405,50 3.825,51 3.825,52 16.104,54 75.81,55 18.785,56 0.503,57 12.09,58 3.5,59 5.398,60 2,61 0.785,62 1.871,63 7,64 0.953,66 8.128,67 -1.379,68 1.418,69 5}
{0 CHEMBL221254,1 1,2 1,3 3.602,4 7.224,5 7.224,6 3.895,7 1,8 1,9 12.052,10 12.052,11 12.052,12 6.111,13 23.774,14 4.304,15 4.304,16 2.711,17 18.92,18 14.301,20 3,21 4.099,22 4.099,23 1,24 93.591,25 1,27 6.099,28 0.313,29 3.352,30 3.352,31 5.352,32 3.352,33 5.427,35 2.708,36 7.141,37 4.238,38 2.025,40 1.412,41 4.468,42 4.468,44 0.981,45 8.879,46 9.138,47 4.104,48 1.36,49 4.06,50 2.423,51 2.423,52 10.635,54 108.707,55 12.399,56 0.469,57 7.928,58 5.7,59 5.349,60 2,61 0.698,62 1.865,63 7,64 1.082,66 5.451,67 -1.24,68 1.376,69 5}
{0 CHEMBL221292,1 1,2 1,3 3.632,4 7,5 7,6 3.824,7 1,8 1,9 11.928,10 11.928,11 11.928,12 6.05,13 24.509,14 4.284,15 4.284,16 2.636,17 19.45,18 18.549,19 1,20 4,21 3.645,22 3.645,23 1,24 60.694,25 1,26 1,27 5.645,28 0.341,29 3.293,30 3.293,31 5.293,32 3.293,33 5.359,34 1,35 2.654,36 7.046,37 4.213,38 2.043,40 0.879,41 4.648,42 4.648,43 3,44 1.002,45 8.766,46 9.148,47 4.03,48 1.509,49 4.2,50 2.397,51 2.397,52 10.503,54 104.239,55 12.247,56 0.583,57 7.838,58 3.6,59 5.575,60 1,61 1.073,62 1.92,63 10,64 1.007,66 5.368,67 -1.432,68 1.49,69 7.222}
{0 CHEMBL221399,1 1,2 1,3 3.629,4 6.501,5 6.501,6 5.619,7 1,8 1,9 10.183,10 10.183,11 10.183,12 6.111,13 10.686,14 4.016,15 4.016,16 2.647,17 16.928,18 22.46,21 4.425,22 4.425,23 1,24 42.683,25 1,27 6.425,28 0.273,29 3.021,30 3.021,31 5.021,32 3.021,33 5.127,35 3.515,36 10.224,37 4.238,38 2.054,40 0.512,41 4.387,42 4.387,44 0.858,45 12.573,46 8.766,47 6.545,48 1.397,49 3.929,50 3.272,51 3.272,52 14.933,54 113.715,55 17.298,56 0.595,57 7.928,59 5.206,60 3,61 0.465,62 1.896,63 7,64 0.876,66 7.896,67 0.201,68 1.446,69 7.77}
{0 CHEMBL221755,1 1,2 1,3 3.63,4 7.111,5 7.111,6 5.603,7 1,8 1,9 11.659,10 11.659,11 11.659,12 9.425,13 10.627,14 4.176,15 4.176,16 5.602,17 18.576,18 10.668,20 1,21 4.46,22 4.46,23 1,24 42.683,25 1,27 6.46,28 0.319,29 3.316,30 3.316,31 5.316,32 3.316,33 5.29,34 1,35 3.467,36 10.761,37 6.771,38 2.059,40 0.774,41 4.47,42 4.47,44 0.759,45 13.427,46 8.71,47 5.506,48 1.448,49 4.242,50 3.825,51 3.825,52 16.104,54 66.334,55 18.785,56 0.584,57 12.09,58 2,59 5.317,60 3,61 0.482,62 1.808,63 8,64 0.886,66 8.128,67 -1.025,68 1.431,69 8.398}
{0 CHEMBL222247,1 2,2 2,3 3.617,4 6.546,5 6.546,6 3.879,7 2,8 2,9 10.357,10 10.357,11 10.357,12 5.889,13 22.424,14 4.092,15 4.092,16 2.616,17 17.144,18 11.87,20 2,21 3.63,22 3.63,23 2,24 85.367,25 1,26 1,27 5.63,28 0.348,29 3.106,30 3.106,31 5.106,32 3.106,33 5.207,34 1,35 2.812,36 6.888,37 4.112,38 2.047,40 0.684,41 4.478,42 4.478,44 1.042,45 8.54,46 18.409,47 3.925,48 1.715,49 4.236,50 2.341,51 2.341,52 10.221,54 56.857,55 11.914,56 0.853,57 7.625,58 1.5,59 5.404,60 4,61 0.545,62 1.886,63 9,64 1.109,65 0.1,66 5.302,67 -1.704,68 1.734,69 7.337}
{0 CHEMBL222248,1 1,2 1,3 3.283,4 6.546,5 6.546,6 3.712,7 1,8 1,9 10.357,10 10.357,11 10.357,12 5.889,13 11.039,14 4.092,15 4.092,16 2.407,17 17.144,18 12.012,21 3.63,22 3.63,23 1,24 42.683,25 1,26 1,27 5.63,28 0.335,29 3.095,30 3.095,31 5.095,32 3.095,33 5.24,35 2.639,36 6.85,37 4.112,38 2.004,40 0.868,41 4.455,42 4.455,43 1,44 0.964,45 8.526,46 9.077,47 3.925,48 1.574,49 4.21,50 2.341,51 2.341,52 10.216,54 56.857,55 11.912,56 0.907,57 7.625,58 1.6,59 5.38,60 2,61 0.438,62 1.885,63 9,64 1.119,65 0.118,66 5.215,67 -0.74,68 1.593,69 8.387}
{0 CHEMBL222508,1 1,2 1,3 3.283,4 6.546,5 6.546,6 3.738,7 1,8 1,9 10.357,10 10.357,11 10.357,12 5.889,13 11.02,14 4.092,15 4.092,16 2.414,17 17.144,18 13.578,21 3.63,22 3.63,23 1,24 42.683,25 1,26 1,27 5.63,28 0.318,29 3.095,30 3.095,31 5.095,32 3.095,33 5.196,35 2.739,36 6.851,37 4.112,38 2.004,40 0.84,41 4.378,42 4.378,43 2,44 0.953,45 8.526,46 9.061,47 3.925,48 1.527,49 4.086,50 2.341,51 2.341,52 10.216,54 64.507,55 11.912,56 0.623,57 7.625,58 1.7,59 5.303,60 2,61 0.349,62 1.885,63 8,64 1.192,65 0.11,66 5.219,67 -0.747,68 1.537,69 8.523}
{0 CHEMBL222560,1 1,2 1,3 3.09,4 6.501,5 6.501,6 3.822,7 1,8 1,9 10.183,10 10.183,11 10.183,12 6.05,13 10.888,14 4.017,15 4.017,16 2.523,17 16.928,18 23.48,21 3.636,22 3.636,23 1,24 42.683,25 1,26 1,27 5.636,28 0.264,29 3.021,30 3.021,31 5.021,32 3.021,33 5.069,34 1,35 2.575,36 7.048,37 4.213,38 2.059,40 0.547,41 4.387,42 4.387,44 0.789,45 8.767,46 8.941,47 4.03,48 1.128,49 3.929,50 2.397,51 2.397,52 10.503,54 123.191,55 12.247,56 0.317,57 7.838,59 5.182,60 1,61 0.94,62 1.896,63 6,64 0.893,66 5.373,67 0.214,68 1.141,69 6.081}
{0 CHEMBL222561,1 1,2 1,3 3.272,4 6.501,5 6.501,6 3.822,7 1,8 1,9 10.184,10 10.184,11 10.184,12 6.05,13 10.835,14 4.017,15 4.017,16 2.564,17 16.928,18 21.23,19 1,21 3.637,22 3.637,23 1,24 42.683,25 1,26 1,27 5.637,28 0.283,29 3.022,30 3.022,31 5.022,32 3.022,33 5.075,34 1,35 2.575,36 7.048,37 4.213,38 2.057,40 0.608,41 4.387,42 4.387,43 1,44 0.787,45 8.767,46 8.892,47 4.03,48 1.113,49 3.929,50 2.397,51 2.397,52 10.503,54 113.715,55 12.247,56 0.312,57 7.838,59 5.181,60 1,61 0.508,62 1.896,63 7,64 0.891,66 5.373,67 0.148,68 1.117,69 5.638}
{0 CHEMBL222880,1 1,2 1,3 3.631,4 6.501,5 6.501,6 5.619,7 1,8 1,9 10.183,10 10.183,11 10.183,12 6.111,13 10.643,14 4.016,15 4.016,16 2.705,17 16.928,18 21.855,21 4.426,22 4.426,23 1,24 42.683,25 1,27 6.426,28 0.269,29 3.021,30 3.021,31 5.021,32 3.021,33 5.128,35 3.515,36 10.224,37 4.238,38 2.053,40 0.519,41 4.387,42 4.387,44 0.924,45 12.573,46 8.723,47 6.545,48 1.078,49 3.929,50 3.272,51 3.272,52 14.933,54 113.715,55 17.298,56 0.346,57 7.928,59 5.206,60 3,61 0.506,62 1.896,63 7,64 0.85,66 7.896,67 0.109,68 1.107,69 7.276}
{0 CHEMBL223080,1 1,2 1,3 3.089,4 6.501,5 6.501,6 3.717,7 1,8 1,9 10.183,10 10.183,11 10.183,12 5.889,13 10.68,14 4.017,15 4.017,16 2.455,17 16.928,18 23.996,21 3.6,22 3.6,23 1,24 42.683,25 1,26 1,27 5.6,28 0.255,29 3.021,30 3.021,31 5.021,32 3.021,33 5.069,35 2.502,36 6.855,37 4.112,38 2.061,40 0.869,41 4.387,42 4.387,44 0.807,45 8.527,46 8.779,47 3.925,48 1.238,49 3.929,50 2.341,51 2.341,52 10.216,54 123.191,55 11.912,56 0.32,57 7.625,59 5.204,60 2,61 0.318,62 1.896,63 6,64 0.917,66 5.227,67 0.312,68 1.208,69 6.284}
{0 CHEMBL223247,1 1,2 1,3 3.283,4 6.546,5 6.546,6 3.685,7 1,8 1,9 10.357,10 10.357,11 10.357,12 5.889,13 10.943,14 4.092,15 4.092,16 2.407,17 17.144,18 13.293,21 3.63,22 3.63,23 1,24 42.683,25 1,26 1,27 5.63,28 0.318,29 3.095,30 3.095,31 5.095,32 3.095,33 5.186,35 2.527,36 6.85,37 4.112,38 2.007,40 0.786,41 4.424,42 4.424,44 0.926,45 8.526,46 8.999,47 3.925,48 1.526,49 3.725,50 2.341,51 2.341,52 10.216,53 1.663,54 56.857,55 11.912,56 0.464,57 7.625,58 2.1,59 5.345,60 2,61 0.357,62 1.885,63 4,64 1.09,65 0.127,66 5.21,67 -0.74,68 1.463,69 6.082}
{0 CHEMBL223356,1 1,2 1,3 3.283,4 6.546,5 6.546,6 3.685,7 1,8 1,9 10.357,10 10.357,11 10.357,12 5.889,13 10.965,14 4.092,15 4.092,16 2.399,17 17.144,18 14.204,20 1,21 3.63,22 3.63,23 1,24 59.469,25 1,26 1,27 5.63,28 0.34,29 3.095,30 3.095,31 5.095,32 3.095,33 5.187,35 2.527,36 6.85,37 4.112,38 2.013,40 0.754,41 4.48,42 4.48,44 0.875,45 8.526,46 9.018,47 3.925,48 1.527,49 3.73,50 2.341,51 2.341,52 10.216,53 2.279,54 66.334,55 11.912,56 0.706,57 7.625,58 1.9,59 5.401,60 2,61 0.309,62 1.886,63 5,64 1.137,65 0.135,66 5.21,67 -0.732,68 1.518,69 7.174}
{0 CHEMBL223434,1 1,2 1,3 3.601,4 6.719,5 6.719,6 4.373,7 1,8 1,9 10.949,10 10.949,11 10.949,12 6.375,13 23.514,14 4.156,15 4.156,16 2.539,17 18.159,18 13.495,19 1,20 1,21 3.791,22 3.791,23 1,24 42.683,25 1,26 1,27 5.791,28 0.321,29 3.174,30 3.174,31 5.174,32 3.174,33 5.233,35 3.149,36 7.454,37 4.595,38 2.101,39 1,40 1.193,41 4.499,42 4.499,43 3,44 0.974,45 9.08,46 9.15,47 4.163,48 1.611,49 3.917,50 2.341,51 2.341,52 10.726,54 66.334,55 12.383,56 0.734,57 8.104,58 3.1,59 5.449,60 2,61 1.045,62 1.852,63 8,64 1.286,66 5.867,67 -1.354,68 1.618,69 5.52}
{0 CHEMBL223629,1 1,2 1,3 3.283,4 6.546,5 6.546,6 3.685,7 1,8 1,9 10.357,10 10.357,11 10.357,12 5.889,13 10.965,14 4.092,15 4.092,16 2.399,17 17.144,18 16.287,21 3.63,22 3.63,23 1,24 42.683,25 1,26 1,27 5.63,28 0.332,29 3.095,30 3.095,31 5.095,32 3.095,33 5.187,35 2.527,36 6.85,37 4.112,38 2.017,40 0.773,41 4.534,42 4.534,44 0.904,45 8.526,46 9.019,47 3.925,48 1.527,49 3.741,50 2.341,51 2.341,52 10.216,53 2.369,54 75.381,55 11.912,56 0.706,57 7.625,58 1.9,59 5.455,60 2,61 0.302,62 1.886,63 4,64 1.233,65 0.136,66 5.21,67 -0.732,68 1.518,69 7.398}
{0 CHEMBL223748,1 1,2 1,3 3.283,4 6.546,5 6.546,6 3.712,7 1,8 1,9 10.357,10 10.357,11 10.357,12 5.889,13 10.998,14 4.092,15 4.092,16 2.406,17 17.144,18 15.825,21 3.63,22 3.63,23 1,24 42.683,25 1,26 1,27 5.63,28 0.292,29 3.095,30 3.095,31 5.095,32 3.095,33 5.204,35 2.639,36 6.85,37 4.112,38 2.006,40 0.836,41 4.378,42 4.378,44 0.948,45 8.526,46 9.044,47 3.925,48 1.527,49 3.904,50 2.341,51 2.341,52 10.216,54 73.983,55 11.912,56 0.706,57 7.625,58 1.7,59 5.299,60 2,61 0.365,62 1.885,63 7,64 1.145,65 0.124,66 5.215,67 -0.739,68 1.518,69 8.921}
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{0 CHEMBL229525,1 1,2 1,3 3.73,4 7.119,5 7.119,6 5.585,7 1,8 1,9 11.704,10 11.704,11 11.704,12 9.418,13 23.839,14 4.202,15 4.202,16 5.964,17 18.781,18 6.784,20 1,21 4.461,22 4.461,23 1,24 60.694,25 1,26 1,27 6.461,28 0.313,29 3.33,30 3.33,31 5.33,32 3.33,33 5.218,34 1,35 3.516,36 10.755,37 6.762,38 2.076,40 1.005,41 4.502,42 4.502,44 0.661,45 13.424,46 9.442,47 5.409,48 1.503,49 4.188,50 3.825,51 3.825,52 16.102,54 56.857,55 18.784,56 0.595,57 12.086,58 1.8,59 5.395,60 3,61 0.85,62 1.962,63 6,64 0.986,65 -0.549,66 8.115,67 -1.767,68 1.519,69 6.658}
{0 CHEMBL229573,1 1,2 1,3 3.73,4 7.119,5 7.119,6 5.585,7 1,8 1,9 11.704,10 11.704,11 11.704,12 9.418,13 23.98,14 4.202,15 4.202,16 5.966,17 18.781,18 6.942,20 2,21 4.461,22 4.461,23 1,24 60.694,25 1,26 1,27 6.461,28 0.293,29 3.33,30 3.33,31 5.33,32 3.33,33 5.242,34 1,35 3.516,36 10.755,37 6.762,38 2.074,40 1.018,41 4.502,42 4.502,44 0.725,45 13.424,46 9.443,47 5.409,48 1.585,49 4.188,50 3.825,51 3.825,52 16.102,54 56.857,55 18.784,56 0.71,57 12.086,58 1.6,59 5.4,60 2,61 0.746,62 1.964,63 6,64 1.009,65 -0.555,66 8.115,67 -1.761,68 1.565,69 8.292}
{0 CHEMBL229778,1 1,2 1,3 3.729,4 7.111,5 7.111,6 5.585,7 1,8 1,9 11.658,10 11.658,11 11.658,12 9.418,13 23.726,14 4.175,15 4.175,16 5.715,17 18.551,18 9.328,20 2,21 4.46,22 4.46,23 1,24 60.694,25 1,26 1,27 6.46,28 0.284,29 3.315,30 3.315,31 5.315,32 3.315,33 5.203,35 3.516,36 10.755,37 6.762,38 2.071,40 1.1,41 4.448,42 4.448,44 0.691,45 13.424,46 9.294,47 5.409,48 1.475,49 4.081,50 3.825,51 3.825,52 16.102,54 66.334,55 18.784,56 0.594,57 12.086,58 1.8,59 5.338,60 2,61 0.794,62 1.918,63 5,64 1.014,65 -0.517,66 8.115,67 -1.386,68 1.473,69 8.167}
{0 CHEMBL229785,1 1,2 1,3 3.718,4 7.111,5 7.111,6 5.585,7 1,8 1,9 11.658,10 11.658,11 11.658,12 9.418,13 23.237,14 4.175,15 4.175,16 5.712,17 18.551,18 9.099,20 1,21 4.46,22 4.46,23 1,24 60.694,25 1,26 1,27 6.46,28 0.318,29 3.315,30 3.315,31 5.315,32 3.315,33 5.188,35 3.516,36 10.755,37 6.762,38 2.064,40 1.127,41 4.448,42 4.448,44 0.687,45 13.424,46 9.033,47 5.409,48 1.399,49 4.081,50 3.825,51 3.825,52 16.102,54 66.334,55 18.784,56 0.444,57 12.086,58 2.1,59 5.331,60 2,61 0.958,62 1.839,63 5,64 0.971,65 -0.567,66 8.115,67 -1.437,68 1.332,69 6.678}
{0 CHEMBL229786,1 1,2 1,3 3.73,4 7.111,5 7.111,6 5.585,7 1,8 1,9 11.658,10 11.658,11 11.658,12 9.418,13 23.712,14 4.175,15 4.175,16 5.714,17 18.551,18 9.219,20 1,21 4.46,22 4.46,23 1,24 60.694,25 1,26 1,27 6.46,28 0.294,29 3.315,30 3.315,31 5.315,32 3.315,33 5.188,34 1,35 3.516,36 10.755,37 6.762,38 2.073,40 1.068,41 4.448,42 4.448,44 0.7,45 13.424,46 9.356,47 5.409,48 1.494,49 4.081,50 3.825,51 3.825,52 16.102,54 66.334,55 18.784,56 0.574,57 12.086,58 1.9,59 5.334,60 2,61 0.861,62 1.94,63 5,64 1,65 -0.502,66 8.115,67 -1.379,68 1.501,69 6.921}
{0 CHEMBL229831,1 1,2 1,3 3.729,4 7.111,5 7.111,6 5.585,7 1,8 1,9 11.658,10 11.658,11 11.658,12 9.418,13 23.93,14 4.175,15 4.175,16 5.717,17 18.551,18 9.447,20 2,21 4.46,22 4.46,23 1,24 60.694,25 1,26 1,27 6.46,28 0.257,29 3.315,30 3.315,31 5.315,32 3.315,33 5.225,34 1,35 3.516,36 10.755,37 6.762,38 2.072,40 1.044,41 4.448,42 4.448,44 0.687,45 13.424,46 9.365,47 5.409,48 1.629,49 4.081,50 3.825,51 3.825,52 16.102,54 66.334,55 18.784,56 0.793,57 12.086,58 1.5,59 5.365,60 2,61 0.777,62 2.006,63 5,64 1.05,65 -0.518,66 8.115,67 -1.374,68 1.611,69 7.347}
{0 CHEMBL229836,1 1,2 1,3 3.729,4 7.119,5 7.119,6 5.585,7 1,8 1,9 11.704,10 11.704,11 11.704,12 9.418,13 23.782,14 4.202,15 4.202,16 5.965,17 18.781,18 6.894,20 2,21 4.461,22 4.461,23 1,24 60.694,25 1,26 1,27 6.461,28 0.302,29 3.33,30 3.33,31 5.33,32 3.33,33 5.242,35 3.516,36 10.755,37 6.762,38 2.071,40 1.03,41 4.502,42 4.502,44 0.708,45 13.424,46 9.312,47 5.409,48 1.489,49 4.188,50 3.825,51 3.825,52 16.102,54 56.857,55 18.784,56 0.709,57 12.086,58 1.7,59 5.399,60 2,61 0.773,62 1.959,63 6,64 0.998,65 -0.569,66 8.115,67 -1.781,68 1.506,69 8.721}
{0 CHEMBL229837,1 1,2 1,3 3.73,4 7.119,5 7.119,6 5.585,7 1,8 1,9 11.704,10 11.704,11 11.704,12 9.418,13 23.69,14 4.202,15 4.202,16 5.963,17 18.781,18 6.748,20 1,21 4.461,22 4.461,23 1,24 60.694,25 1,26 1,27 6.461,28 0.324,29 3.33,30 3.33,31 5.33,32 3.33,33 5.217,34 1,35 3.516,36 10.755,37 6.762,38 2.073,40 1.025,41 4.502,42 4.502,44 0.709,45 13.424,46 9.346,47 5.409,48 1.494,49 4.188,50 3.825,51 3.825,52 16.102,54 56.857,55 18.784,56 0.574,57 12.086,58 1.9,59 5.39,60 2,61 0.874,62 1.938,63 6,64 0.973,65 -0.554,66 8.115,67 -1.779,68 1.501,69 7.398}
{0 CHEMBL229888,1 1,2 1,3 3.6,4 7.111,5 7.111,6 5.585,7 1,8 1,9 11.658,10 11.658,11 11.658,12 9.418,13 22.854,14 4.175,15 4.175,16 5.71,17 18.551,18 9.065,21 4.46,22 4.46,23 1,24 60.694,25 1,26 1,27 6.46,28 0.289,29 3.315,30 3.315,31 5.315,32 3.315,33 5.187,35 3.516,36 10.755,37 6.762,38 2.057,40 1.029,41 4.448,42 4.448,44 0.609,45 13.424,46 8.765,47 5.409,48 1.397,49 4.08,50 3.825,51 3.825,52 16.102,54 66.334,55 18.784,56 0.308,57 12.086,58 2.2,59 5.33,60 2,61 1.009,62 1.752,63 5,64 0.955,66 8.115,67 -1.44,68 1.328,69 5.523}
{0 CHEMBL230050,1 1,2 1,3 4.42,4 7.111,5 7.111,6 6.052,7 1,8 1,9 11.657,10 11.657,11 11.657,12 9.425,13 10.61,14 4.17,15 4.17,16 5.63,17 18.533,18 9.981,21 4.46,22 4.46,23 1,24 42.683,25 1,27 6.46,28 0.253,29 3.313,30 3.313,31 5.313,32 3.313,33 5.298,35 3.959,36 10.979,37 6.771,38 1.996,40 0.834,41 4.439,42 4.439,44 0.723,45 13.564,46 8.693,47 6.775,48 1.433,49 3.83,50 3.825,51 3.825,52 16.188,54 66.334,55 18.836,56 0.618,57 12.09,59 5.355,60 3,61 0.718,62 1.844,63 5,64 0.979,65 -0.259,66 8.457,67 -1.041,68 1.457,69 8.469}
{0 CHEMBL230063,1 1,2 1,3 4.416,4 7.111,5 7.111,6 6.049,7 1,8 1,9 11.657,10 11.657,11 11.657,12 9.425,13 10.595,14 4.17,15 4.17,16 5.604,17 18.533,18 10.261,21 4.46,22 4.46,23 1,24 42.683,25 1,27 6.46,28 0.259,29 3.313,30 3.313,31 5.313,32 3.313,33 5.295,35 3.931,36 10.979,37 6.771,38 2.011,40 0.776,41 4.439,42 4.439,44 0.703,45 13.564,46 8.684,47 6.775,48 1.418,49 3.83,50 3.825,51 3.825,52 16.188,54 66.334,55 18.836,56 0.614,57 12.09,59 5.355,60 3,61 0.68,62 1.942,63 5,64 0.944,65 0.227,66 8.457,67 -1.026,68 1.455,69 10.222}
{0 CHEMBL230158,1 1,2 1,3 4.42,4 7.111,5 7.111,6 6.052,7 1,8 1,9 11.657,10 11.657,11 11.657,12 9.425,13 10.61,14 4.17,15 4.17,16 5.63,17 18.533,18 9.981,21 4.46,22 4.46,23 1,24 42.683,25 1,27 6.46,28 0.253,29 3.313,30 3.313,31 5.313,32 3.313,33 5.298,35 3.959,36 10.979,37 6.771,38 1.996,40 0.834,41 4.439,42 4.439,44 0.723,45 13.564,46 8.693,47 6.775,48 1.433,49 3.83,50 3.825,51 3.825,52 16.188,54 66.334,55 18.836,56 0.618,57 12.09,59 5.355,60 3,61 0.718,62 1.844,63 5,64 0.979,65 -0.259,66 8.457,67 -1.041,68 1.457,69 8.721}
{0 CHEMBL230177,1 1,2 1,3 4.419,4 7.111,5 7.111,6 6.049,7 1,8 1,9 11.657,10 11.657,11 11.657,12 9.425,13 10.621,14 4.171,15 4.171,16 5.574,17 18.533,18 10.788,21 4.46,22 4.46,23 1,24 42.683,25 1,27 6.46,28 0.25,29 3.313,30 3.313,31 5.313,32 3.313,33 5.292,35 3.931,36 10.979,37 6.771,38 2.06,40 0.753,41 4.439,42 4.439,44 0.808,45 13.564,46 8.705,47 6.775,48 1.457,49 3.83,50 3.825,51 3.825,52 16.188,54 66.334,55 18.836,56 0.699,57 12.09,59 5.355,60 3,61 0.684,62 1.858,63 5,64 0.959,65 -0.037,66 8.457,67 -1.027,68 1.476,69 8.161}
{0 CHEMBL230179,1 1,2 1,3 3.63,4 7.111,5 7.111,6 5.615,7 1,8 1,9 11.657,10 11.657,11 11.657,12 9.425,13 10.589,14 4.17,15 4.17,16 5.646,17 18.533,18 9.386,21 4.46,22 4.46,23 1,24 42.683,25 1,27 6.46,28 0.262,29 3.313,30 3.313,31 5.313,32 3.313,33 5.259,35 3.597,36 10.761,37 6.771,38 2.008,40 0.854,41 4.439,42 4.439,44 0.704,45 13.427,46 8.673,47 5.506,48 1.455,49 3.83,50 3.825,51 3.825,52 16.104,54 66.334,55 18.785,56 0.596,57 12.09,59 5.355,60 3,61 0.696,62 1.849,63 5,64 1.056,65 -0.444,66 8.128,67 -1.067,68 1.463,69 7.614}
{0 CHEMBL230268,1 1,2 1,3 4.42,4 7.111,5 7.111,6 6.052,7 1,8 1,9 11.657,10 11.657,11 11.657,12 9.425,13 10.656,14 4.17,15 4.17,16 5.632,17 18.533,18 10.07,21 4.46,22 4.46,23 1,24 42.683,25 1,27 6.46,28 0.236,29 3.313,30 3.313,31 5.313,32 3.313,33 5.301,35 3.959,36 10.979,37 6.771,38 1.997,40 0.804,41 4.439,42 4.439,44 0.718,45 13.564,46 8.731,47 6.775,48 1.453,49 3.831,50 3.825,51 3.825,52 16.188,54 66.334,55 18.836,56 0.699,57 12.09,59 5.357,60 3,61 0.662,62 1.962,63 5,64 1.006,65 -0.253,66 8.457,67 -1.039,68 1.463,69 8.155}
{0 CHEMBL230269,1 1,2 1,3 4.42,4 7.111,5 7.111,6 6.058,7 1,8 1,9 11.657,10 11.657,11 11.657,12 9.425,13 10.627,14 4.17,15 4.17,16 5.642,17 18.533,18 9.901,21 4.46,22 4.46,23 1,24 42.683,25 1,27 6.46,28 0.244,29 3.313,30 3.313,31 5.313,32 3.313,33 5.3,35 3.981,36 10.979,37 6.771,38 1.996,40 0.829,41 4.439,42 4.439,44 0.662,45 13.564,46 8.707,47 6.775,48 1.435,49 3.831,50 3.825,51 3.825,52 16.188,54 75.81,55 18.836,56 0.617,57 12.09,59 5.355,60 3,61 0.726,62 1.845,63 5,64 0.963,65 -0.325,66 8.458,67 -1.048,68 1.458,69 8.409}
{0 CHEMBL230287,1 1,2 1,3 4.46,4 7.111,5 7.111,6 6.052,7 1,8 1,9 11.657,10 11.657,11 11.657,12 9.425,13 23.359,14 4.17,15 4.17,16 5.671,17 18.533,18 9.094,21 4.782,22 4.782,23 1,24 42.683,25 1,27 6.782,28 0.305,29 3.313,30 3.313,31 5.313,32 3.313,33 5.298,35 3.959,36 10.979,37 6.771,38 2,40 0.92,41 4.439,42 4.439,44 0.723,45 13.564,46 8.691,47 6.775,48 1.456,49 3.906,50 3.825,51 3.825,52 16.188,54 85.466,55 18.836,56 0.656,57 12.09,59 5.357,60 3,61 0.862,62 1.846,63 5,64 1.013,65 -0.545,66 8.457,67 -1.098,68 1.477,69 5.523}
{0 CHEMBL230372,1 1,2 1,3 4.419,4 7.111,5 7.111,6 6.052,7 1,8 1,9 11.657,10 11.657,11 11.657,12 9.425,13 10.581,14 4.17,15 4.17,16 5.628,17 18.533,18 9.916,21 4.46,22 4.46,23 1,24 42.683,25 1,27 6.46,28 0.262,29 3.313,30 3.313,31 5.313,32 3.313,33 5.296,35 3.959,36 10.979,37 6.771,38 1.995,40 0.819,41 4.439,42 4.439,44 0.721,45 13.564,46 8.67,47 6.775,48 1.413,49 3.83,50 3.825,51 3.825,52 16.188,54 66.334,55 18.836,56 0.56,57 12.09,59 5.355,60 3,61 0.757,62 1.789,63 5,64 0.964,65 -0.273,66 8.457,67 -1.043,68 1.451,69 7.726}
{0 CHEMBL230605,1 1,2 1,3 4.42,4 7.111,5 7.111,6 6.058,7 1,8 1,9 11.657,10 11.657,11 11.657,12 9.425,13 10.712,14 4.17,15 4.17,16 5.65,17 18.533,18 19.646,21 4.46,22 4.46,23 1,24 42.683,25 1,27 6.46,28 0.245,29 3.313,30 3.313,31 5.313,32 3.313,33 5.304,35 3.981,36 10.979,37 6.771,38 2.036,40 0.81,41 4.439,42 4.439,44 0.688,45 13.564,46 8.776,47 6.775,48 1.448,49 3.905,50 3.825,51 3.825,52 16.188,54 113.715,55 18.836,56 0.621,57 12.09,59 5.355,60 3,61 0.667,62 1.988,63 6,64 0.92,65 -0.342,66 8.458,67 -1.047,68 1.459,69 7.222}
{0 CHEMBL231223,1 1,2 1,3 4.42,4 7.111,5 7.111,6 6.067,7 1,8 1,9 11.657,10 11.657,11 11.657,12 9.425,13 10.624,14 4.17,15 4.17,16 5.647,17 18.533,18 9.831,21 4.46,22 4.46,23 1,24 42.683,25 1,27 6.46,28 0.247,29 3.313,30 3.313,31 5.313,32 3.313,33 5.298,35 4.014,36 10.98,37 6.771,38 1.995,40 0.83,41 4.439,42 4.439,44 0.683,45 13.565,46 8.703,47 6.775,48 1.436,49 3.831,50 3.825,51 3.825,52 16.188,54 66.334,55 18.836,56 0.617,57 12.09,59 5.355,60 3,61 0.766,62 1.781,63 5,64 1.014,65 -0.379,66 8.46,67 -1.052,68 1.458,69 8.678}
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{0 CHEMBL231527,1 1,2 1,3 4.42,4 7.111,5 7.111,6 6.064,7 1,8 1,9 11.657,10 11.657,11 11.657,12 9.425,13 22.899,14 4.17,15 4.17,16 5.683,17 18.533,18 16.629,21 4.46,22 4.46,23 1,24 42.683,25 1,27 6.46,28 0.275,29 3.313,30 3.313,31 5.313,32 3.313,33 5.307,35 4.02,36 10.979,37 6.771,38 2.028,40 0.937,41 4.439,42 4.439,44 0.654,45 13.564,46 8.813,47 6.775,48 1.677,49 4.191,50 3.825,51 3.825,52 16.188,54 104.239,55 18.836,56 0.702,57 12.09,59 5.355,60 3,61 0.752,62 1.988,63 7,64 0.948,65 -0.488,66 8.459,67 -1.017,68 1.639,69 7.622}
{0 CHEMBL231528,1 1,2 1,3 4.417,4 7.111,5 7.111,6 6.052,7 1,8 1,9 11.657,10 11.657,11 11.657,12 9.425,13 10.636,14 4.17,15 4.17,16 5.626,17 18.533,18 10.118,21 4.46,22 4.46,23 1,24 42.683,25 1,27 6.46,28 0.244,29 3.313,30 3.313,31 5.313,32 3.313,33 5.297,35 3.959,36 10.979,37 6.771,38 2,40 0.806,41 4.439,42 4.439,44 0.632,45 13.564,46 8.716,47 6.775,48 1.444,49 3.831,50 3.825,51 3.825,52 16.188,54 66.334,55 18.836,56 0.626,57 12.09,59 5.355,60 3,61 0.738,62 1.889,63 5,64 0.993,65 0.024,66 8.457,67 -1.037,68 1.459,69 8.337}
{0 CHEMBL231531,1 1,2 1,3 4.46,4 7.111,5 7.111,6 6.477,7 1,8 1,9 11.657,10 11.657,11 11.657,12 10.1,13 10.725,14 4.17,15 4.17,16 5.723,17 18.533,18 13.697,21 4.46,22 4.46,23 1,24 42.683,25 1,27 6.46,28 0.254,29 3.313,30 3.313,31 5.313,32 3.313,33 5.3,35 4.28,36 11.557,37 7.424,38 2.006,40 0.878,41 4.439,42 4.439,44 0.572,45 14.186,46 8.777,47 6.775,48 1.471,49 4.244,50 3.825,51 3.825,52 16.838,54 104.239,55 19.503,56 0.627,57 12.775,59 5.355,60 3,61 0.767,62 1.985,63 7,64 0.882,65 -0.303,66 8.97,67 -1.1,68 1.46,69 7.77}
{0 CHEMBL231688,1 1,2 1,3 3.631,4 7.111,5 7.111,6 5.606,7 1,8 1,9 11.657,10 11.657,11 11.657,12 9.421,13 10.966,14 4.17,15 4.17,16 5.635,17 18.533,18 21.056,21 4.46,22 4.46,23 1,24 42.683,25 1,27 6.46,28 0.292,29 3.313,30 3.313,31 5.313,32 3.313,33 5.254,35 3.562,36 10.757,37 6.766,38 2.056,40 0.814,41 4.552,42 4.552,44 0.778,45 13.425,46 8.996,47 5.436,48 1.468,49 4.202,50 3.825,51 3.825,52 16.103,53 1.669,54 122.762,55 18.784,56 0.592,57 12.087,58 1.9,59 5.421,60 2,61 0.674,62 1.975,63 5,64 0.929,66 8.121,67 -0.914,68 1.455,69 5.511}
{0 CHEMBL231689,1 1,2 1,3 3.631,4 7.111,5 7.111,6 5.606,7 1,8 1,9 11.657,10 11.657,11 11.657,12 9.421,13 10.945,14 4.17,15 4.17,16 5.625,17 18.533,18 21.155,21 4.46,22 4.46,23 1,24 42.683,25 1,27 6.46,28 0.292,29 3.313,30 3.313,31 5.313,32 3.313,33 5.251,35 3.562,36 10.757,37 6.766,38 2.055,40 0.818,41 4.552,42 4.552,44 0.728,45 13.425,46 8.98,47 5.436,48 1.463,49 4.079,50 3.825,51 3.825,52 16.103,53 1.694,54 122.762,55 18.784,56 0.51,57 12.087,58 1.9,59 5.404,60 2,61 0.737,62 1.975,63 5,64 0.929,66 8.121,67 -0.907,68 1.437,69 6.595}
{0 CHEMBL231690,1 1,2 1,3 4.434,4 7.13,5 7.13,6 6.204,7 1,8 1,9 11.766,10 11.766,11 11.766,12 9.421,13 10.831,14 4.174,15 4.174,16 5.662,17 18.978,18 9.089,21 4.467,22 4.467,23 1,24 42.683,25 1,27 6.467,28 0.325,29 3.348,30 3.348,31 5.348,32 3.348,33 5.347,35 3.939,36 11.202,37 6.766,38 1.997,40 0.516,41 4.553,42 4.553,44 0.774,45 13.773,46 8.885,47 7.098,48 1.31,49 3.991,50 3.825,51 3.825,52 16.37,53 1.698,54 46.952,55 18.987,56 0.396,57 12.087,58 5.3,59 5.39,60 2,61 0.621,62 1.754,63 4,64 0.883,66 8.668,67 -0.919,68 1.352,69 8.476}
{0 CHEMBL231696,1 1,2 1,3 3.629,4 6.196,5 6.196,6 5.667,7 1,8 1,9 9.223,10 9.223,11 9.223,12 6.234,13 10.766,14 3.928,15 3.928,16 2.655,17 15.477,18 32.466,21 4.424,22 4.424,23 1,24 42.683,25 1,27 6.424,28 0.261,29 2.928,30 2.928,31 4.928,32 2.928,33 5.033,35 3.69,36 10.228,37 4.457,38 2.105,40 0.569,41 4.309,42 4.309,44 0.927,45 12.575,46 8.829,47 6.545,48 1.672,49 4.189,50 3.272,51 3.272,52 14.933,54 170.572,55 17.298,56 0.702,57 7.995,59 5.132,60 3,61 0.436,62 1.992,63 8,64 0.939,65 -0.064,66 7.909,67 -0.989,68 1.639,69 7.959}
{0 CHEMBL2322437,3 3.443,4 7.154,5 7.154,6 1.644,9 12.535,10 12.535,11 12.535,12 1.168,13 13.823,14 4.353,15 4.353,16 1.664,17 20.212,18 24.86,20 2,21 3.79,22 3.79,24 16.54,27 5.79,28 0.365,29 3.398,30 3.398,31 5.398,32 3.398,33 5.418,34 1,35 1.603,36 2.141,37 0.74,38 2.082,40 1.246,41 4.707,42 4.707,44 0.996,45 2.456,47 2.335,48 1.671,49 4.28,50 1.23,51 1.23,52 2.793,54 123.191,55 3.145,56 0.9,57 1.605,58 10.6,59 5.615,61 0.894,62 1.921,63 10,64 1.052,65 0.071,66 1.859,67 0.002,68 1.708,69 4.301}
{0 CHEMBL2323021,3 4.676,4 8.567,5 8.567,6 5.857,7 1,9 16.63,10 16.63,11 16.63,12 9.576,13 37.522,14 4.774,15 4.774,16 6.769,17 25.541,18 3.492,19 3,21 4.741,22 4.741,23 1,24 75.581,27 6.741,28 0.274,29 3.862,30 3.862,31 5.862,32 3.862,33 5.956,34 1,35 3.802,36 10.886,37 6.984,38 2.032,40 0.892,41 4.984,42 4.984,43 3,44 0.766,45 13.51,46 9.887,47 5.395,48 1.441,49 4.586,50 3.825,51 3.825,52 16.158,54 95.872,55 18.819,56 0.507,57 12.192,58 5.7,59 5.984,61 1.264,62 1.715,63 5,64 0.995,65 -0.942,66 8.31,67 -2.141,68 1.421,69 4}
{0 CHEMBL232395,1 1,2 1,3 4.46,4 7.111,5 7.111,6 6.225,7 1,8 1,9 11.657,10 11.657,11 11.657,12 9.425,13 10.843,14 4.171,15 4.171,16 5.602,17 18.863,18 16.12,19 1,20 1,21 4.467,22 4.467,23 1,24 42.683,25 1,27 6.467,28 0.275,29 3.313,30 3.313,31 5.313,32 3.313,33 5.298,35 4.053,36 11.205,37 6.771,38 2.041,40 0.788,41 4.484,42 4.484,43 1,44 0.686,45 13.774,46 8.885,47 7.098,48 1.543,49 4.045,50 3.825,51 3.825,52 16.371,54 94.762,55 18.987,56 0.672,57 12.09,59 5.433,60 2,61 0.551,62 1.986,63 8,64 0.879,66 8.674,67 -1.027,68 1.504,69 6.866}
{0 CHEMBL232396,1 1,2 1,3 4.46,4 7.111,5 7.111,6 6.223,7 1,8 1,9 11.657,10 11.657,11 11.657,12 9.425,13 10.917,14 4.197,15 4.197,16 5.595,17 19.168,18 14.715,20 2,21 4.467,22 4.467,23 1,24 42.683,25 1,27 6.467,28 0.303,29 3.313,30 3.313,31 5.313,32 3.313,33 5.323,35 4.027,36 11.205,37 6.771,38 2.038,40 0.76,41 4.57,42 4.57,44 0.606,45 13.774,46 8.951,47 7.098,48 1.545,49 4.046,50 3.825,51 3.825,52 16.371,54 85.286,55 18.987,56 0.703,57 12.09,59 5.457,60 4,61 0.623,62 1.972,63 9,64 0.863,66 8.674,67 -0.985,68 1.514,69 6.232}
{0 CHEMBL232397,1 1,2 1,3 4.46,4 7.111,5 7.111,6 6.223,7 1,8 1,9 11.657,10 11.657,11 11.657,12 9.425,13 10.806,14 4.171,15 4.171,16 5.594,17 18.86,18 16.455,20 2,21 4.465,22 4.465,23 1,24 42.683,25 1,27 6.465,28 0.281,29 3.313,30 3.313,31 5.313,32 3.313,33 5.297,35 4.027,36 11.205,37 6.771,38 2.037,40 0.774,41 4.493,42 4.493,44 0.699,45 13.774,46 8.861,47 7.098,48 1.544,49 4.045,50 3.825,51 3.825,52 16.371,54 94.762,55 18.987,56 0.687,57 12.09,59 5.381,60 3,61 0.64,62 1.944,63 8,64 0.848,66 8.674,67 -0.989,68 1.506,69 6.6}
{0 CHEMBL232398,1 1,2 1,3 3.631,4 6.704,5 6.704,6 5.632,7 1,8 1,9 10.878,10 10.878,11 10.878,12 6.111,13 10.815,14 4.126,15 4.126,16 2.627,17 18.081,18 17.315,20 2,21 4.465,22 4.465,23 1,24 42.683,25 1,27 6.465,28 0.311,29 3.152,30 3.152,31 5.152,32 3.152,33 5.252,35 3.591,36 10.224,37 4.238,38 2.015,40 0.62,41 4.493,42 4.493,44 1.003,45 12.574,46 8.873,47 6.545,48 1.444,49 4.034,50 3.272,51 3.272,52 14.933,54 85.286,55 17.298,56 0.673,57 7.928,59 5.381,60 3,61 1.245,62 1.937,63 9,64 0.968,66 7.897,67 -0.96,68 1.458,69 6.233}
{0 CHEMBL232399,1 1,2 1,3 3.631,4 6.704,5 6.704,6 5.632,7 1,8 1,9 10.878,10 10.878,11 10.878,12 6.111,13 10.797,14 4.126,15 4.126,16 2.629,17 18.081,18 18.233,20 2,21 4.465,22 4.465,23 1,24 42.683,25 1,27 6.465,28 0.301,29 3.152,30 3.152,31 5.152,32 3.152,33 5.251,35 3.591,36 10.224,37 4.238,38 2.028,40 0.613,41 4.493,42 4.493,44 0.845,45 12.574,46 8.858,47 6.545,48 1.453,49 3.993,50 3.272,51 3.272,52 14.933,54 94.762,55 17.298,56 0.67,57 7.928,59 5.38,60 3,61 0.952,62 1.944,63 8,64 0.899,66 7.897,67 -0.963,68 1.457,69 4.866}
{0 CHEMBL232400,1 1,2 1,3 4.46,4 7.111,5 7.111,6 6.223,7 1,8 1,9 11.657,10 11.657,11 11.657,12 9.425,13 10.84,14 4.171,15 4.171,16 5.651,17 18.861,18 12.562,20 2,21 4.467,22 4.467,23 1,24 42.683,25 1,27 6.467,28 0.307,29 3.313,30 3.313,31 5.313,32 3.313,33 5.303,35 4.027,36 11.205,37 6.771,38 2.032,40 0.787,41 4.494,42 4.494,44 0.752,45 13.774,46 8.881,47 7.098,48 1.536,49 4.26,50 3.825,51 3.825,52 16.371,54 85.286,55 18.987,56 0.662,57 12.09,59 5.39,60 3,61 0.756,62 1.939,63 9,64 0.83,66 8.674,67 -1.037,68 1.486,69 7.155}
{0 CHEMBL232597,1 1,2 1,3 4.437,4 7.228,5 7.228,6 6.318,7 1,8 1,9 12.079,10 12.079,11 12.079,12 9.783,13 11.246,14 4.312,15 4.312,16 5.982,17 19.079,18 10.917,21 4.437,22 4.437,23 1,24 42.683,25 1,27 6.437,28 0.264,29 3.36,30 3.36,31 5.36,32 3.36,33 5.456,35 4.036,36 11.488,37 7.016,38 1.999,40 0.876,41 4.462,42 4.462,43 1,44 0.553,45 14.17,46 9.208,47 7.305,48 1.398,49 4.178,50 4.032,51 4.032,52 16.885,54 66.334,55 19.623,56 0.469,57 12.558,58 3.9,59 5.311,60 3,61 0.614,62 1.857,63 7,64 0.958,66 8.856,67 -1.053,68 1.405,69 7.237}
{0 CHEMBL23296,1 1,2 1,3 4.441,4 7.307,5 7.307,6 6.039,7 1,8 1,9 12.573,10 12.573,11 12.573,12 9.423,13 10.787,14 4.355,15 4.355,16 5.832,17 20.47,18 8.036,20 1,21 4.471,22 4.471,23 1,24 42.683,25 1,26 1,27 6.471,28 0.297,29 3.441,30 3.441,31 5.441,32 3.441,33 5.48,34 1,35 3.896,36 10.977,37 6.769,38 2.045,40 0.592,41 4.746,42 4.746,44 0.885,45 13.563,46 8.848,47 6.775,48 1.58,49 4.248,50 3.825,51 3.825,52 16.188,53 0.045,54 47.381,55 18.836,56 0.556,57 12.089,58 1.9,59 5.668,60 1,61 0.921,62 1.851,63 6,64 0.894,66 8.453,67 -0.917,68 1.546,69 8.202}
{0 CHEMBL233177,1 1,2 1,3 4.437,4 6.704,5 6.704,6 6.324,7 1,8 1,9 10.878,10 10.878,11 10.878,12 9.783,13 10.813,14 4.126,15 4.126,16 5.96,17 18.081,18 17.116,20 2,21 4.465,22 4.465,23 1,24 42.683,25 1,27 6.465,28 0.275,29 3.152,30 3.152,31 5.152,32 3.152,33 5.252,35 4.081,36 11.488,37 7.016,38 2.029,40 0.463,41 4.493,42 4.493,44 0.732,45 14.17,46 8.866,47 7.305,48 1.574,49 4.046,50 4.032,51 4.032,52 16.885,54 94.762,55 19.623,56 0.673,57 12.558,59 5.381,60 3,61 0.922,62 1.944,63 8,64 0.879,66 8.856,67 -0.99,68 1.491,69 6.276}
{0 CHEMBL2337126,1 1,2 1,3 3.255,4 6.886,5 6.886,6 2.44,7 1,8 2,9 11.413,10 11.413,11 11.413,13 11.549,14 4.225,15 4.225,16 2.759,17 18.959,18 1.757,20 3,21 3.683,22 3.683,23 2,24 85.367,26 1,27 5.683,28 0.339,29 3.242,30 3.242,31 5.242,32 3.242,33 5.225,35 2.135,36 3.64,38 2.07,40 0.697,41 4.601,42 4.601,44 1.036,45 4.337,46 19.884,47 2.873,48 1.411,49 3.628,50 1.437,51 1.437,52 5.05,54 18.952,55 5.77,56 0.574,59 5.451,60 2,61 1.365,62 1.878,63 5,64 1.263,66 2.985,67 0.01,68 1.408,69 4.77}
{0 CHEMBL2337127,1 1,2 1,3 3.257,4 6.886,5 6.886,6 2.476,7 1,8 2,9 11.414,10 11.414,11 11.414,13 11.926,14 4.225,15 4.225,16 2.788,17 18.96,18 11.643,20 6,21 3.683,22 3.683,23 2,24 85.367,26 1,27 5.683,28 0.314,29 3.242,30 3.242,31 5.242,32 3.242,33 5.225,34 4,35 2.239,36 3.642,38 2.089,40 0.693,41 4.601,42 4.601,44 1.146,45 4.337,46 20.566,47 2.873,48 1.524,49 3.882,50 1.437,51 1.437,52 5.05,54 75.81,55 5.77,56 0.708,59 5.437,60 2,61 1.487,62 1.968,63 6,64 1.123,66 2.995,67 1.363,68 1.529,69 5.745}
{0 CHEMBL233976,1 1,2 1,3 3.645,4 7.111,5 7.111,6 5.601,7 1,8 1,9 11.659,10 11.659,11 11.659,12 9.423,13 10.959,14 4.176,15 4.176,16 5.617,17 18.576,18 12.315,21 4.46,22 4.46,23 1,24 42.683,25 1,26 1,27 6.46,28 0.335,29 3.316,30 3.316,31 5.316,32 3.316,33 5.327,35 3.496,36 10.759,37 6.769,38 1.999,40 0.841,41 4.552,42 4.552,44 0.777,45 13.426,46 8.994,47 5.458,48 1.384,49 4.357,50 3.825,51 3.825,52 16.103,53 1.846,54 73.983,55 18.784,56 0.405,57 12.089,58 2.1,59 5.39,60 2,61 0.521,62 1.768,63 7,64 0.786,66 8.123,67 -0.871,68 1.345,69 7.833}
{0 CHEMBL233978,1 1,2 1,3 3.149,4 6.546,5 6.546,6 3.822,7 1,8 1,9 10.357,10 10.357,11 10.357,12 6.05,13 10.915,14 4.059,15 4.059,16 2.502,17 17.145,18 16.665,21 3.645,22 3.645,23 1,24 42.683,25 1,26 1,27 5.645,28 0.339,29 3.096,30 3.096,31 5.096,32 3.096,33 5.174,35 2.575,36 7.048,37 4.213,38 1.999,40 0.68,41 4.552,42 4.552,44 0.944,45 8.767,46 8.965,47 4.03,48 1.302,49 3.881,50 2.397,51 2.397,52 10.503,53 1.937,54 83.459,55 12.247,56 0.392,57 7.838,58 2.4,59 5.386,60 2,61 0.388,62 1.711,63 6,64 0.856,66 5.373,67 -0.836,68 1.313,69 6.646}
{0 CHEMBL234168,1 1,2 1,3 3.645,4 7.111,5 7.111,6 5.601,7 1,8 1,9 11.659,10 11.659,11 11.659,12 9.423,13 10.87,14 4.177,15 4.177,16 5.65,17 18.562,18 12.591,21 4.46,22 4.46,23 1,24 42.683,25 1,26 1,27 6.46,28 0.335,29 3.315,30 3.315,31 5.315,32 3.315,33 5.257,35 3.496,36 10.759,37 6.769,38 2.014,40 0.896,41 4.552,42 4.552,43 1,44 0.83,45 13.426,46 8.911,47 5.458,48 1.43,49 4.252,50 3.825,51 3.825,52 16.103,53 1.185,54 87.549,55 18.784,56 0.275,57 12.089,58 2.3,59 5.386,60 2,61 0.89,62 1.729,63 6,64 0.834,66 8.123,67 -0.951,68 1.369,69 5.793}
{0 CHEMBL234169,1 1,2 1,3 3.653,4 7.111,5 7.111,6 5.601,7 1,8 1,9 11.659,10 11.659,11 11.659,12 9.423,13 11.027,14 4.176,15 4.176,16 5.629,17 18.576,18 10.131,21 4.46,22 4.46,23 1,24 42.683,25 1,26 1,27 6.46,28 0.352,29 3.316,30 3.316,31 5.316,32 3.316,33 5.327,35 3.496,36 10.759,37 6.769,38 1.999,40 0.841,41 4.644,42 4.644,44 0.77,45 13.426,46 9.042,47 5.458,48 1.38,49 4.357,50 3.825,51 3.825,52 16.103,53 1.542,54 64.507,55 18.784,56 0.399,57 12.089,58 2.1,59 5.483,60 3,61 0.522,62 1.768,63 8,64 0.783,66 8.123,67 -0.925,68 1.344,69 6.644}
{0 CHEMBL234170,1 1,2 1,3 3.249,4 6.588,5 6.588,6 3.822,7 1,8 1,9 10.52,10 10.52,11 10.52,12 6.05,13 11,14 4.11,15 4.11,16 2.5,17 17.372,18 14.989,20 1,21 3.646,22 3.646,23 1,24 42.683,25 1,26 1,27 5.646,28 0.363,29 3.145,30 3.145,31 5.145,32 3.145,33 5.225,35 2.575,36 7.048,37 4.213,38 2.023,40 0.697,41 4.592,42 4.592,44 0.951,45 8.767,46 9.034,47 4.03,48 1.393,49 3.987,50 2.397,51 2.397,52 10.503,53 1.961,54 73.983,55 12.247,56 0.394,57 7.838,58 2.3,59 5.431,60 2,61 1.32,62 1.726,63 7,64 0.883,66 5.373,67 -0.833,68 1.373,69 6.183}
{0 CHEMBL234381,1 1,2 1,3 3.345,4 6.786,5 6.786,6 3.822,7 1,8 1,9 11.138,10 11.138,11 11.138,12 6.05,13 10.984,14 4.146,15 4.146,16 2.557,17 18.029,18 14.418,21 3.653,22 3.653,23 1,24 42.683,25 1,26 1,27 5.653,28 0.357,29 3.197,30 3.197,31 5.197,32 3.197,33 5.263,35 2.575,36 7.048,37 4.213,38 1.986,40 0.674,41 4.643,42 4.643,44 0.959,45 8.767,46 9.013,47 4.03,48 1.296,49 3.882,50 2.397,51 2.397,52 10.503,53 1.633,54 73.983,55 12.247,56 0.382,57 7.838,58 2.4,59 5.479,60 3,61 0.421,62 1.711,63 7,64 0.853,66 5.373,67 -0.89,68 1.303,69 5.197}
{0 CHEMBL234382,1 1,2 1,3 3.649,4 7.111,5 7.111,6 5.601,7 1,8 1,9 11.659,10 11.659,11 11.659,12 9.423,13 11.027,14 4.177,15 4.177,16 5.644,17 18.562,18 11.769,21 4.46,22 4.46,23 1,24 42.683,25 1,26 1,27 6.46,28 0.347,29 3.315,30 3.315,31 5.315,32 3.315,33 5.293,35 3.496,36 10.759,37 6.769,38 2.027,40 0.816,41 4.643,42 4.643,44 0.757,45 13.426,46 9.048,47 5.458,48 1.412,49 4.252,50 3.825,51 3.825,52 16.103,53 1.85,54 73.983,55 18.784,56 0.447,57 12.089,58 2.1,59 5.479,60 3,61 0.825,62 1.713,63 7,64 0.792,66 8.123,67 -0.88,68 1.442,69 6.251}
{0 CHEMBL234383,1 1,2 1,3 3.645,4 7.111,5 7.111,6 5.614,7 1,8 1,9 11.657,10 11.657,11 11.657,12 9.423,13 10.992,14 4.17,15 4.17,16 5.633,17 18.533,18 19.498,21 4.46,22 4.46,23 1,24 42.683,25 1,26 1,27 6.46,28 0.29,29 3.313,30 3.313,31 5.313,32 3.313,33 5.283,35 3.573,36 10.759,37 6.769,38 2.054,40 0.824,41 4.552,42 4.552,44 0.778,45 13.426,46 9.021,47 5.458,48 1.412,49 4.202,50 3.825,51 3.825,52 16.103,53 1.85,54 111.888,55 18.784,56 0.59,57 12.089,59 5.421,60 2,61 0.674,62 1.974,63 6,64 0.804,66 8.125,67 -0.87,68 1.418,69 5.652}
{0 CHEMBL234484,1 1,2 1,3 3.515,4 6.136,5 6.136,6 4.129,7 1,8 1,9 9.032,10 9.032,11 9.032,12 6.234,13 10.643,14 3.845,15 3.845,16 2.673,17 15.286,18 25.364,21 3.63,22 3.63,23 1,24 42.683,25 1,27 5.63,28 0.236,29 2.874,30 2.874,31 4.874,32 2.874,33 4.91,35 2.986,36 7.228,37 4.457,38 2.069,40 0.574,41 4.254,42 4.254,44 0.9,45 8.928,46 8.727,47 4.104,48 1.45,49 3.971,50 2.423,51 2.423,52 10.662,54 142.144,55 12.414,56 0.616,57 7.995,59 5.076,60 3,61 0.324,62 2.001,63 5,64 1,65 -0.043,66 5.6,67 -1.006,68 1.479,69 5}
{0 CHEMBL234485,1 1,2 1,3 3.518,4 6.142,5 6.142,6 4.129,7 1,8 1,9 9.051,10 9.051,11 9.051,12 6.234,13 10.657,14 3.858,15 3.858,16 2.675,17 15.305,18 23.332,21 3.63,22 3.63,23 1,24 42.683,25 1,27 5.63,28 0.247,29 2.875,30 2.875,31 4.875,32 2.875,33 4.923,35 2.986,36 7.228,37 4.457,38 2.051,40 0.593,41 4.265,42 4.265,44 0.89,45 8.928,46 8.738,47 4.104,48 1.444,49 4.017,50 2.423,51 2.423,52 10.662,54 132.667,55 12.414,56 0.613,57 7.995,59 5.087,60 3,61 0.341,62 1.985,63 6,64 0.981,65 -0.069,66 5.6,67 -1.009,68 1.475,69 6.114}
{0 CHEMBL234587,1 1,2 1,3 3.646,4 7.111,5 7.111,6 5.614,7 1,8 1,9 11.657,10 11.657,11 11.657,12 9.423,13 11.077,14 4.17,15 4.17,16 5.634,17 18.533,18 17.865,20 1,21 4.46,22 4.46,23 1,24 42.683,25 1,26 1,27 6.46,28 0.312,29 3.313,30 3.313,31 5.313,32 3.313,33 5.283,35 3.573,36 10.759,37 6.769,38 2.057,40 0.809,41 4.592,42 4.592,44 0.756,45 13.426,46 9.09,47 5.458,48 1.425,49 4.203,50 3.825,51 3.825,52 16.103,53 1.873,54 102.412,55 18.784,56 0.639,57 12.089,59 5.464,60 2,61 0.831,62 1.976,63 7,64 0.821,66 8.125,67 -0.868,68 1.456,69 7.367}
{0 CHEMBL234588,1 1,2 1,3 3.645,4 7.111,5 7.111,6 5.614,7 1,8 1,9 11.657,10 11.657,11 11.657,12 9.423,13 10.971,14 4.17,15 4.17,16 5.623,17 18.533,18 19.59,21 4.46,22 4.46,23 1,24 42.683,25 1,26 1,27 6.46,28 0.29,29 3.313,30 3.313,31 5.313,32 3.313,33 5.282,35 3.573,36 10.759,37 6.769,38 2.053,40 0.828,41 4.552,42 4.552,44 0.73,45 13.426,46 9.005,47 5.458,48 1.407,49 4.079,50 3.825,51 3.825,52 16.103,53 1.875,54 111.888,55 18.784,56 0.489,57 12.089,59 5.404,60 2,61 0.738,62 1.974,63 6,64 0.804,66 8.125,67 -0.864,68 1.363,69 6.78}
{0 CHEMBL234589,1 1,2 1,3 3.645,4 7.111,5 7.111,6 5.614,7 1,8 1,9 11.657,10 11.657,11 11.657,12 9.423,13 10.954,14 4.17,15 4.17,16 5.616,17 18.533,18 19.624,21 4.46,22 4.46,23 1,24 42.683,25 1,26 1,27 6.46,28 0.29,29 3.313,30 3.313,31 5.313,32 3.313,33 5.281,35 3.573,36 10.759,37 6.769,38 2.053,40 0.829,41 4.552,42 4.552,43 1,44 0.664,45 13.426,46 8.992,47 5.458,48 1.403,49 4.048,50 3.825,51 3.825,52 16.103,53 1.895,54 111.888,55 18.784,56 0.41,57 12.089,59 5.399,60 2,61 0.781,62 1.974,63 6,64 0.804,66 8.125,67 -0.858,68 1.33,69 5.971}
{0 CHEMBL234659,1 1,2 1,3 4.46,4 7.111,5 7.111,6 6.225,7 1,8 1,9 11.657,10 11.657,11 11.657,12 9.425,13 10.74,14 4.171,15 4.171,16 5.605,17 18.533,18 15.914,19 1,21 4.464,22 4.464,23 1,24 42.683,25 1,27 6.464,28 0.284,29 3.313,30 3.313,31 5.313,32 3.313,33 5.294,35 4.053,36 11.205,37 6.771,38 2.037,40 0.796,41 4.439,42 4.439,43 1,44 0.702,45 13.774,46 8.798,47 7.098,48 1.545,49 4.044,50 3.825,51 3.825,52 16.371,54 94.762,55 18.987,56 0.632,57 12.09,59 5.294,60 2,61 0.36,62 1.965,63 8,64 0.905,66 8.674,67 -1.052,68 1.509,69 7.886}
{0 CHEMBL234660,1 1,2 1,3 4.437,4 7.111,5 7.111,6 6.223,7 1,8 1,9 11.657,10 11.657,11 11.657,12 9.425,13 10.617,14 4.171,15 4.171,16 5.595,17 18.533,18 18.04,21 4.46,22 4.46,23 1,24 42.683,25 1,27 6.46,28 0.266,29 3.313,30 3.313,31 5.313,32 3.313,33 5.289,35 4.027,36 11.205,37 6.771,38 2.038,40 0.806,41 4.439,42 4.439,44 0.686,45 13.774,46 8.703,47 7.098,48 1.413,49 4.044,50 3.825,51 3.825,52 16.371,54 104.239,55 18.987,56 0.625,57 12.09,59 5.29,60 3,61 0.338,62 1.976,63 7,64 0.857,66 8.674,67 -1.019,68 1.459,69 6.599}
{0 CHEMBL234661,1 1,2 1,3 3.631,4 6.704,5 6.704,6 5.632,7 1,8 1,9 10.878,10 10.878,11 10.878,12 6.111,13 10.806,14 4.126,15 4.126,16 2.62,17 18.081,18 19.79,20 2,21 4.465,22 4.465,23 1,24 42.683,25 1,27 6.465,28 0.293,29 3.152,30 3.152,31 5.152,32 3.152,33 5.252,35 3.591,36 10.224,37 4.238,38 2.025,40 0.56,41 4.493,42 4.493,44 1.009,45 12.574,46 8.866,47 6.545,48 1.438,49 3.993,50 3.272,51 3.272,52 14.933,54 94.762,55 17.298,56 0.673,57 7.928,59 5.38,60 3,61 1.181,62 1.944,63 8,64 0.97,66 7.897,67 -0.953,68 1.452,69 6.03}
{0 CHEMBL234662,1 1,2 1,3 3.631,4 6.704,5 6.704,6 5.636,7 1,8 1,9 10.878,10 10.878,11 10.878,12 6.111,13 10.817,14 4.126,15 4.126,16 2.619,17 18.081,18 20.035,20 2,21 4.465,22 4.465,23 1,24 42.683,25 1,27 6.465,28 0.29,29 3.152,30 3.152,31 5.152,32 3.152,33 5.252,35 3.631,36 10.224,37 4.238,38 2.031,40 0.561,41 4.493,42 4.493,44 1.053,45 12.574,46 8.876,47 6.545,48 1.557,49 4.009,50 3.272,51 3.272,52 14.933,54 94.762,55 17.298,56 0.678,57 7.928,59 5.38,60 3,61 1.229,62 1.944,63 8,64 1.039,66 7.898,67 -0.952,68 1.564,69 6.921}
{0 CHEMBL234663,1 1,2 1,3 3.631,4 6.704,5 6.704,6 5.632,7 1,8 1,9 10.878,10 10.878,11 10.878,12 6.111,13 10.798,14 4.126,15 4.126,16 2.614,17 18.081,18 22.374,20 2,21 4.465,22 4.465,23 1,24 42.683,25 1,27 6.465,28 0.273,29 3.152,30 3.152,31 5.152,32 3.152,33 5.251,35 3.591,36 10.224,37 4.238,38 2.043,40 0.524,41 4.493,42 4.493,44 1.003,45 12.574,46 8.861,47 6.545,48 1.452,49 3.889,50 3.272,51 3.272,52 14.933,54 104.239,55 17.298,56 0.676,57 7.928,59 5.38,60 3,61 1.253,62 1.944,63 7,64 0.972,66 7.897,67 -0.948,68 1.465,69 5.656}
{0 CHEMBL234665,1 1,2 1,3 4.46,4 7.111,5 7.111,6 6.223,7 1,8 1,9 11.657,10 11.657,11 11.657,12 9.425,13 10.843,14 4.171,15 4.171,16 5.607,17 18.861,18 16.397,20 2,21 4.467,22 4.467,23 1,24 42.683,25 1,27 6.467,28 0.281,29 3.313,30 3.313,31 5.313,32 3.313,33 5.302,35 4.027,36 11.205,37 6.771,38 2.037,40 0.787,41 4.494,42 4.494,44 0.682,45 13.774,46 8.889,47 7.098,48 1.535,49 4.199,50 3.825,51 3.825,52 16.371,54 94.762,55 18.987,56 0.671,57 12.09,59 5.389,60 3,61 0.61,62 1.945,63 8,64 0.848,66 8.674,67 -1.002,68 1.488,69 6.638}
{0 CHEMBL234666,1 1,2 1,3 4.46,4 7.111,5 7.111,6 6.223,7 1,8 1,9 11.657,10 11.657,11 11.657,12 9.425,13 10.841,14 4.171,15 4.171,16 5.66,17 18.861,18 12.593,20 2,21 4.467,22 4.467,23 1,24 42.683,25 1,27 6.467,28 0.307,29 3.313,30 3.313,31 5.313,32 3.313,33 5.303,35 4.027,36 11.205,37 6.771,38 2.032,40 0.76,41 4.494,42 4.494,44 0.716,45 13.774,46 8.882,47 7.098,48 1.535,49 4.26,50 3.825,51 3.825,52 16.371,54 85.286,55 18.987,56 0.656,57 12.09,59 5.389,60 3,61 0.765,62 1.939,63 9,64 0.83,66 8.674,67 -1.032,68 1.487,69 7.208}
{0 CHEMBL234689,1 1,2 1,3 3.518,4 6.142,5 6.142,6 4.129,7 1,8 1,9 9.051,10 9.051,11 9.051,12 6.234,13 10.654,14 3.857,15 3.857,16 2.679,17 15.305,18 20.711,21 3.63,22 3.63,23 1,24 42.683,25 1,27 5.63,28 0.249,29 2.875,30 2.875,31 4.875,32 2.875,33 4.922,35 2.986,36 7.228,37 4.457,38 2.035,40 0.602,41 4.265,42 4.265,44 0.89,45 8.928,46 8.734,47 4.104,48 1.444,49 4.017,50 2.423,51 2.423,52 10.662,54 113.715,55 12.414,56 0.613,57 7.995,58 1.9,59 5.087,60 3,61 0.382,62 1.934,63 6,64 1.058,65 -0.109,66 5.6,67 -1.013,68 1.475,69 6.62}
{0 CHEMBL234691,1 1,2 1,3 3.518,4 6.142,5 6.142,6 4.14,7 2,8 1,9 9.051,10 9.051,11 9.051,12 6.234,13 10.674,14 3.859,15 3.859,16 2.685,17 15.305,18 20.827,20 1,21 3.63,22 3.63,23 2,24 85.367,25 1,27 5.63,28 0.265,29 2.875,30 2.875,31 4.875,32 2.875,33 4.924,34 2,35 3.044,36 7.228,37 4.457,38 2.055,40 0.67,41 4.274,42 4.274,44 0.91,45 8.928,46 17.955,47 4.104,48 1.505,49 4.065,50 2.423,51 2.423,52 10.662,54 165.875,55 12.414,56 0.631,57 7.995,59 5.096,60 3,61 0.342,62 1.99,63 7,64 0.982,65 -0.122,66 5.601,67 -1.018,68 1.51,69 6.31}
{0 CHEMBL234692,1 1,2 1,3 3.516,4 6.14,5 6.14,6 4.176,7 1,8 1,9 9.044,10 9.044,11 9.044,12 6.236,13 10.669,14 3.852,15 3.852,16 2.673,17 15.298,18 13.51,21 3.63,22 3.63,23 1,24 42.683,25 1,27 5.63,28 0.238,29 2.874,30 2.874,31 4.874,32 2.874,33 4.955,35 3.154,36 7.23,37 4.465,38 2.034,40 0.515,41 4.244,42 4.244,44 0.941,45 8.928,46 8.748,47 4.104,48 1.537,49 3.853,50 2.423,51 2.423,52 10.662,54 85.286,55 12.414,56 0.71,57 7.996,58 1.6,59 5.244,60 3,61 0.37,62 1.938,63 5,64 1.271,65 -0.031,66 5.61,67 -1.006,68 1.55,69 5.523}
{0 CHEMBL234693,1 1,2 1,3 3.63,4 7.722,5 7.722,6 5.675,7 1,8 1,9 13.857,10 13.857,11 13.857,12 6.234,13 35.424,14 4.459,15 4.459,16 4.293,17 21.91,18 18.255,21 5.38,22 5.38,23 1,24 42.683,25 1,27 7.38,28 0.287,29 3.582,30 3.582,31 5.582,32 3.582,33 5.54,35 3.719,36 10.228,37 4.457,38 2.04,40 1.077,41 5.031,42 5.031,44 0.85,45 12.575,46 8.779,47 6.545,48 1.675,49 4.243,50 3.272,51 3.272,52 14.933,54 129.237,55 17.298,56 0.701,57 7.995,59 5.853,60 3,61 0.333,62 1.958,63 8,64 0.999,65 -0.213,66 7.911,67 -0.694,68 1.64,69 5.921}
{0 CHEMBL234799,1 1,2 1,3 3.645,4 7.111,5 7.111,6 5.614,7 1,8 1,9 11.657,10 11.657,11 11.657,12 9.423,13 10.925,14 4.17,15 4.17,16 5.63,17 18.533,18 18.691,21 4.46,22 4.46,23 1,24 42.683,25 1,26 1,27 6.46,28 0.3,29 3.313,30 3.313,31 5.313,32 3.313,33 5.248,35 3.573,36 10.759,37 6.769,38 2.054,40 0.842,41 4.552,42 4.552,44 0.772,45 13.426,46 8.959,47 5.458,48 1.435,49 4.079,50 3.825,51 3.825,52 16.103,53 1.273,54 115.978,55 18.784,56 0.488,57 12.089,59 5.404,60 2,61 0.756,62 1.975,63 6,64 0.861,66 8.125,67 -0.93,68 1.373,69 5.827}
{0 CHEMBL234800,1 1,2 1,3 3.645,4 7.111,5 7.111,6 5.614,7 1,8 1,9 11.657,10 11.657,11 11.657,12 9.423,13 10.907,14 4.17,15 4.17,16 5.622,17 18.533,18 18.726,21 4.46,22 4.46,23 1,24 42.683,25 1,26 1,27 6.46,28 0.3,29 3.313,30 3.313,31 5.313,32 3.313,33 5.246,35 3.573,36 10.759,37 6.769,38 2.054,40 0.844,41 4.552,42 4.552,43 1,44 0.704,45 13.426,46 8.946,47 5.458,48 1.433,49 4.048,50 3.825,51 3.825,52 16.103,53 1.293,54 115.978,55 18.784,56 0.403,57 12.089,59 5.399,60 2,61 0.799,62 1.975,63 6,64 0.861,66 8.125,67 -0.925,68 1.37,69 5.463}
{0 CHEMBL234801,1 1,2 1,3 3.631,4 7.13,5 7.13,6 5.593,7 1,8 1,9 11.766,10 11.766,11 11.766,12 9.421,13 10.811,14 4.175,15 4.175,16 5.709,17 18.978,18 8.501,21 4.462,22 4.462,23 1,24 42.683,25 1,27 6.462,28 0.339,29 3.348,30 3.348,31 5.348,32 3.348,33 5.318,35 3.484,36 10.757,37 6.766,38 2.01,40 0.534,41 4.553,42 4.553,44 0.763,45 13.425,46 8.864,47 5.436,48 1.383,49 3.991,50 3.825,51 3.825,52 16.103,53 1.527,54 46.952,55 18.784,56 0.377,57 12.087,58 5.3,59 5.39,60 2,61 0.559,62 1.755,63 4,64 0.958,66 8.12,67 -0.945,68 1.373,69 6.652}
{0 CHEMBL234903,1 1,2 1,3 3.63,4 7.111,5 7.111,6 5.66,7 1,8 1,9 11.657,10 11.657,11 11.657,12 9.43,13 10.666,14 4.171,15 4.171,16 5.64,17 18.533,18 17.451,21 4.46,22 4.46,23 1,24 42.683,25 1,27 6.46,28 0.257,29 3.313,30 3.313,31 5.313,32 3.313,33 5.236,35 3.68,36 10.764,37 6.79,38 2.047,40 0.853,41 4.446,42 4.446,44 0.636,45 13.428,46 8.737,47 5.506,48 1.496,49 4.242,50 3.825,51 3.825,52 16.104,54 123.191,55 18.785,56 0.615,57 12.091,59 5.268,60 3,61 0.314,62 1.98,63 7,64 0.85,65 -0.308,66 8.14,67 -1.054,68 1.482,69 6.886}
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{0 CHEMBL234910,1 1,2 1,3 3.629,4 6.071,5 6.071,6 5.619,7 1,8 1,9 8.773,10 8.773,11 8.773,12 6.111,13 10.521,14 3.831,15 3.831,16 2.644,17 15.027,18 15.588,21 4.424,22 4.424,23 1,24 42.683,25 1,27 6.424,28 0.211,29 2.873,30 2.873,31 4.873,32 2.873,33 4.931,35 3.515,36 10.224,37 4.238,38 2.024,40 0.553,41 4.243,42 4.243,44 0.856,45 12.573,46 8.632,47 6.545,48 1.237,49 3.608,50 3.272,51 3.272,52 14.933,54 94.762,55 17.298,56 0.327,57 7.928,59 5.06,60 3,61 0.458,62 1.771,63 4,64 0.921,66 7.896,67 -0.977,68 1.274,69 4.917}
{0 CHEMBL235143,1 1,2 1,3 3.601,4 6.786,5 6.786,6 3.728,7 1,8 1,9 11.087,10 11.087,11 11.087,12 5.889,13 23.603,14 4.209,15 4.209,16 2.479,17 18.378,18 18.665,20 4,21 3.621,22 3.621,23 1,24 77.48,25 1,26 1,27 5.621,28 0.367,29 3.226,30 3.226,31 5.226,32 3.226,33 5.279,34 2,35 2.626,36 6.853,37 4.112,38 2.069,40 1.021,41 4.659,42 4.659,43 1,44 0.963,45 8.527,46 8.883,47 3.925,48 1.537,49 4.072,50 2.341,51 2.341,52 10.216,53 1.795,54 94.762,55 11.912,56 0.672,57 7.625,58 3.4,59 5.539,60 3,61 0.387,62 1.999,63 8,64 1.076,66 5.223,67 -1.003,68 1.547,69 8.373}
{0 CHEMBL236218,1 1,2 1,3 3.578,4 6.545,5 6.545,6 3.728,7 1,8 1,9 10.338,10 10.338,11 10.338,12 5.889,13 23.414,14 4.082,15 4.082,16 2.476,17 17.11,18 20.828,20 3,21 3.601,22 3.601,23 1,24 77.48,25 1,26 1,27 5.601,28 0.334,29 3.12,30 3.12,31 5.12,32 3.12,33 5.152,34 2,35 2.626,36 6.853,37 4.112,38 2.069,40 1.089,41 4.574,42 4.574,43 1,44 1.031,45 8.527,46 8.873,47 3.925,48 1.482,49 4.073,50 2.341,51 2.341,52 10.216,53 1.858,54 104.239,55 11.912,56 0.624,57 7.625,58 3.6,59 5.453,60 3,61 0.37,62 1.98,63 7,64 1.042,66 5.223,67 -0.993,68 1.488,69 6.278}
{0 CHEMBL236664,1 1,2 1,3 4.1,4 7.228,5 7.228,6 5.618,7 1,8 1,9 12.079,10 12.079,11 12.079,12 9.425,13 23.816,14 4.312,15 4.312,16 5.721,17 19.156,18 15,20 2,21 4.461,22 4.461,23 1,24 60.694,25 1,27 6.461,28 0.304,29 3.36,30 3.36,31 5.36,32 3.36,33 5.399,34 1,35 3.592,36 10.761,37 6.771,38 2.049,40 1.16,41 4.501,42 4.501,43 1,44 0.564,45 13.427,46 9.248,47 5.506,48 1.496,49 4.207,50 3.825,51 3.825,52 16.104,54 94.762,55 18.785,56 0.622,57 12.09,58 1.6,59 5.379,60 3,61 0.61,62 1.98,63 8,64 0.967,66 8.129,67 -1.567,68 1.501,69 7.42}
{0 CHEMBL23670,1 1,2 1,3 3.635,4 6.816,5 6.816,6 5.272,7 1,8 1,9 11.274,10 11.274,11 11.274,12 6.05,13 10.812,14 4.212,15 4.212,16 2.523,17 18.676,18 11.456,20 1,21 4.441,22 4.441,23 1,24 42.683,25 1,26 1,27 6.441,28 0.302,29 3.219,30 3.219,31 5.219,32 3.219,33 5.337,34 1,35 3.38,36 9.443,37 4.213,38 2.057,40 0.669,41 4.657,42 4.657,44 1.082,45 11.573,46 8.879,47 5.9,48 1.581,49 3.96,50 2.95,51 2.95,52 13.716,53 2.138,54 59.121,55 15.866,56 0.694,57 7.838,59 5.58,60 1,61 0.421,62 1.901,63 6,64 1.08,66 7.333,67 -0.857,68 1.552,69 7.398}
{0 CHEMBL236875,1 1,2 1,3 4.1,4 7.228,5 7.228,6 5.618,7 1,8 1,9 12.079,10 12.079,11 12.079,12 9.425,13 23.99,14 4.312,15 4.312,16 5.722,17 19.156,18 15.143,20 2,21 4.461,22 4.461,23 1,24 60.694,25 1,27 6.461,28 0.295,29 3.36,30 3.36,31 5.36,32 3.36,33 5.399,34 1,35 3.592,36 10.761,37 6.771,38 2.058,40 1.167,41 4.509,42 4.509,43 1,44 0.706,45 13.427,46 9.261,47 5.506,48 1.632,49 4.212,50 3.825,51 3.825,52 16.104,54 94.762,55 18.785,56 0.679,57 12.09,58 1.5,59 5.39,60 3,61 0.582,62 1.981,63 8,64 0.98,66 8.129,67 -1.548,68 1.599,69 7.092}
{0 CHEMBL236876,1 1,2 1,3 4.1,4 7.228,5 7.228,6 5.618,7 1,8 1,9 12.079,10 12.079,11 12.079,12 9.425,13 23.557,14 4.312,15 4.312,16 5.961,17 19.156,18 13.278,20 2,21 4.461,22 4.461,23 1,24 60.694,25 1,27 6.461,28 0.308,29 3.36,30 3.36,31 5.36,32 3.36,33 5.399,34 1,35 3.592,36 10.761,37 6.771,38 2.041,40 1.146,41 4.501,42 4.501,43 1,44 0.587,45 13.427,46 9.23,47 5.506,48 1.424,49 4.207,50 3.825,51 3.825,52 16.104,54 94.762,55 18.785,56 0.592,57 12.09,58 1.7,59 5.379,60 3,61 0.728,62 1.966,63 8,64 0.928,66 8.129,67 -1.963,68 1.46,69 7.658}
{0 CHEMBL236877,1 1,2 1,3 4.1,4 7.228,5 7.228,6 5.618,7 1,8 1,9 12.079,10 12.079,11 12.079,12 9.425,13 23.784,14 4.312,15 4.312,16 5.751,17 19.156,18 14.784,20 2,21 4.461,22 4.461,23 1,24 60.694,25 1,27 6.461,28 0.29,29 3.36,30 3.36,31 5.36,32 3.36,33 5.399,34 1,35 3.592,36 10.761,37 6.771,38 2.04,40 1.203,41 4.501,42 4.501,43 1,44 0.562,45 13.427,46 9.246,47 5.506,48 1.422,49 4.207,50 3.825,51 3.825,52 16.104,54 94.762,55 18.785,56 0.592,57 12.09,58 1.7,59 5.379,60 3,61 0.622,62 1.951,63 8,64 0.935,66 8.129,67 -1.616,68 1.46,69 7.444}
{0 CHEMBL237084,1 1,2 1,3 4.443,4 7.305,5 7.305,6 6.215,7 1,8 1,9 12.496,10 12.496,11 12.496,12 10.1,13 23.757,14 4.343,15 4.343,16 6.427,17 20.2,18 11.792,20 2,21 4.489,22 4.489,23 1,24 60.694,25 1,27 6.489,28 0.289,29 3.444,30 3.444,31 5.444,32 3.444,33 5.43,34 1,35 4.028,36 11.441,37 7.424,38 2.042,40 1.105,41 4.639,42 4.639,43 1,44 0.583,45 14.115,46 9.234,47 5.506,48 1.511,49 4.333,50 3.825,51 3.825,52 16.795,54 94.762,55 19.477,56 0.592,57 12.775,58 1.6,59 5.523,60 3,61 0.606,62 1.974,63 8,64 0.91,66 8.787,67 -2.336,68 1.461,69 7.398}
{0 CHEMBL237085,1 1,2 1,3 4.1,4 7.228,5 7.228,6 5.621,7 1,8 1,9 12.079,10 12.079,11 12.079,12 9.425,13 23.904,14 4.312,15 4.312,16 5.802,17 19.156,18 14.569,20 2,21 4.461,22 4.461,23 1,24 60.694,25 1,27 6.461,28 0.298,29 3.36,30 3.36,31 5.36,32 3.36,33 5.399,34 1,35 3.632,36 10.761,37 6.771,38 2.041,40 1.182,41 4.509,42 4.509,43 1,44 0.724,45 13.427,46 9.255,47 5.506,48 1.541,49 4.212,50 3.825,51 3.825,52 16.104,54 94.762,55 18.785,56 0.592,57 12.09,58 1.6,59 5.39,60 3,61 0.602,62 1.97,63 8,64 0.998,66 8.129,67 -1.68,68 1.542,69 7.523}
{0 CHEMBL237086,1 1,2 1,3 3.595,4 7.228,5 7.228,6 3.917,7 1,8 1,9 12.079,10 12.079,11 12.079,12 6.111,13 23.804,14 4.312,15 4.312,16 2.711,17 19.081,18 17.772,20 2,21 4.1,22 4.1,23 1,24 60.694,25 1,27 6.1,28 0.317,29 3.36,30 3.36,31 5.36,32 3.36,33 5.398,34 1,35 2.802,36 7.142,37 4.238,38 2.043,40 1.466,41 4.462,42 4.462,43 1,44 0.858,45 8.879,46 9.255,47 4.104,48 1.416,49 4.201,50 2.423,51 2.423,52 10.635,54 94.762,55 12.399,56 0.595,57 7.928,58 1.7,59 5.339,60 3,61 0.576,62 1.977,63 8,64 1.138,66 5.454,67 -1.219,68 1.461,69 6.595}
{0 CHEMBL237277,1 1,2 1,3 3.573,4 6.353,5 6.353,6 3.728,7 1,8 1,9 9.809,10 9.809,11 9.809,12 5.889,13 23.366,14 4.039,15 4.039,16 2.479,17 16.365,18 20.339,20 4,21 3.601,22 3.601,23 1,24 77.48,25 1,26 1,27 5.601,28 0.347,29 3.062,30 3.062,31 5.062,32 3.062,33 5.108,34 2,35 2.626,36 6.853,37 4.112,38 2.069,40 1.069,41 4.517,42 4.517,43 1,44 1.048,45 8.527,46 8.869,47 3.925,48 1.482,49 4.072,50 2.341,51 2.341,52 10.216,53 1.733,54 104.239,55 11.912,56 0.625,57 7.625,58 3.6,59 5.395,60 3,61 0.374,62 1.989,63 7,64 1.061,66 5.223,67 -1.02,68 1.489,69 7.328}
{0 CHEMBL237305,1 1,2 1,3 4.1,4 7.228,5 7.228,6 5.796,7 1,8 1,9 12.079,10 12.079,11 12.079,12 9.783,13 23.878,14 4.312,15 4.312,16 6.06,17 19.081,18 15.54,20 2,21 4.437,22 4.437,23 1,24 60.694,25 1,27 6.437,28 0.298,29 3.36,30 3.36,31 5.36,32 3.36,33 5.399,34 1,35 3.674,36 11.173,37 7.016,38 2.045,40 0.906,41 4.462,42 4.462,43 1,44 0.795,45 13.95,46 9.255,47 5.712,48 1.531,49 4.201,50 4.032,51 4.032,52 16.734,54 94.762,55 19.521,56 0.597,57 12.558,58 1.6,59 5.342,60 3,61 0.387,62 1.979,63 8,64 0.998,66 8.426,67 -1.531,68 1.49,69 7.268}
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{0 CHEMBL237307,1 1,2 1,3 4.1,4 7.228,5 7.228,6 5.618,7 1,8 1,9 12.079,10 12.079,11 12.079,12 9.425,13 23.662,14 4.312,15 4.312,16 5.963,17 19.156,18 11.807,20 2,21 4.461,22 4.461,23 1,24 60.694,25 1,27 6.461,28 0.329,29 3.36,30 3.36,31 5.36,32 3.36,33 5.4,34 1,35 3.592,36 10.761,37 6.771,38 2.054,40 1.121,41 4.502,42 4.502,43 1,44 0.558,45 13.427,46 9.26,47 5.506,48 1.451,49 4.282,50 3.825,51 3.825,52 16.104,54 85.286,55 18.785,56 0.595,57 12.09,58 1.6,59 5.38,60 3,61 0.654,62 1.972,63 9,64 0.941,66 8.129,67 -1.961,68 1.463,69 7.018}
{0 CHEMBL237484,1 1,2 1,3 3.573,4 6.353,5 6.353,6 3.728,7 1,8 1,9 9.809,10 9.809,11 9.809,12 5.889,13 23.366,14 4.038,15 4.038,16 2.479,17 16.365,18 20.368,20 4,21 3.601,22 3.601,23 1,24 77.48,25 1,26 1,27 5.601,28 0.347,29 3.062,30 3.062,31 5.062,32 3.062,33 5.108,34 2,35 2.626,36 6.853,37 4.112,38 2.069,40 1.062,41 4.517,42 4.517,43 1,44 1.048,45 8.527,46 8.869,47 3.925,48 1.484,49 4.072,50 2.341,51 2.341,52 10.216,53 1.733,54 104.239,55 11.912,56 0.624,57 7.625,58 3.6,59 5.395,60 3,61 0.374,62 1.99,63 7,64 1.061,66 5.223,67 -1.02,68 1.49,69 7.097}
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{0 CHEMBL237518,1 1,2 1,3 4.1,4 7.228,5 7.228,6 5.618,7 1,8 1,9 12.079,10 12.079,11 12.079,12 9.425,13 23.674,14 4.312,15 4.312,16 5.964,17 19.156,18 11.828,20 2,21 4.461,22 4.461,23 1,24 60.694,25 1,27 6.461,28 0.329,29 3.36,30 3.36,31 5.36,32 3.36,33 5.4,34 1,35 3.592,36 10.761,37 6.771,38 2.055,40 1.098,41 4.502,42 4.502,43 1,44 0.614,45 13.427,46 9.256,47 5.506,48 1.449,49 4.235,50 3.825,51 3.825,52 16.104,54 85.286,55 18.785,56 0.598,57 12.09,58 1.6,59 5.38,60 3,61 0.764,62 1.972,63 9,64 0.941,66 8.129,67 -1.96,68 1.474,69 8.35}
{0 CHEMBL237519,1 1,2 1,3 4.1,4 7.228,5 7.228,6 5.618,7 1,8 1,9 12.079,10 12.079,11 12.079,12 9.425,13 23.696,14 4.312,15 4.312,16 5.964,17 19.156,18 11.784,20 2,21 4.461,22 4.461,23 1,24 60.694,25 1,27 6.461,28 0.329,29 3.36,30 3.36,31 5.36,32 3.36,33 5.399,34 1,35 3.592,36 10.761,37 6.771,38 2.056,40 1.108,41 4.502,42 4.502,43 1,44 0.581,45 13.427,46 9.252,47 5.506,48 1.452,49 4.27,50 3.825,51 3.825,52 16.104,54 85.286,55 18.785,56 0.608,57 12.09,58 1.6,59 5.383,60 3,61 0.673,62 1.972,63 9,64 0.941,66 8.129,67 -1.958,68 1.486,69 7.066}
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{0 CHEMBL237710,1 1,2 1,3 4.1,4 7.228,5 7.228,6 5.621,7 1,8 1,9 12.079,10 12.079,11 12.079,12 9.425,13 24.394,14 4.312,15 4.312,16 5.856,17 19.157,18 22.854,20 4,21 4.461,22 4.461,23 1,24 60.694,25 1,27 6.461,28 0.286,29 3.36,30 3.36,31 5.36,32 3.36,33 5.4,34 1,35 3.632,36 10.761,37 6.771,38 2.042,40 1.209,41 4.515,42 4.515,43 1,44 0.877,45 13.427,46 9.302,47 5.506,48 1.634,49 4.223,50 3.825,51 3.825,52 16.104,54 142.144,55 18.785,56 0.679,57 12.09,58 1.4,59 5.401,60 3,61 1.147,62 1.985,63 9,64 0.945,66 8.129,67 -1.708,68 1.599,69 7.495}
{0 CHEMBL237730,1 1,2 1,3 3.601,4 7.119,5 7.119,6 5.585,7 1,8 1,9 11.704,10 11.704,11 11.704,12 9.418,13 23.254,14 4.206,15 4.206,16 5.711,17 18.78,18 15.558,20 2,21 4.461,22 4.461,23 1,24 60.694,25 1,26 1,27 6.461,28 0.321,29 3.33,30 3.33,31 5.33,32 3.33,33 5.272,34 2,35 3.516,36 10.755,37 6.762,38 2.07,40 0.95,41 4.501,42 4.501,43 1,44 0.629,45 13.424,46 8.846,47 5.409,48 1.496,49 4.197,50 3.825,51 3.825,52 16.102,54 94.762,55 18.784,56 0.622,57 12.086,58 1.7,59 5.379,60 3,61 0.527,62 1.997,63 8,64 0.921,66 8.115,67 -1.317,68 1.501,69 7.481}
{0 CHEMBL238152,1 1,2 1,3 3.601,4 7.067,5 7.067,6 3.728,7 1,8 1,9 12.067,10 12.067,11 12.067,12 5.889,13 23.851,14 4.325,15 4.325,16 2.478,17 19.498,18 18.829,20 3,21 3.671,22 3.671,23 1,24 60.694,25 1,26 1,27 5.671,28 0.38,29 3.354,30 3.354,31 5.354,32 3.354,33 5.395,34 2,35 2.626,36 6.853,37 4.112,38 2.069,40 0.951,41 4.774,42 4.774,43 1,44 0.897,45 8.527,46 8.897,47 3.925,48 1.558,49 4.072,50 2.341,51 2.341,52 10.216,53 1.918,54 94.762,55 11.912,56 0.673,57 7.625,58 3.2,59 5.657,60 3,61 0.4,62 2.005,63 8,64 1.172,66 5.223,67 -0.968,68 1.557,69 8.461}
{0 CHEMBL238357,1 1,2 1,3 3.601,4 7.068,5 7.068,6 3.728,7 1,8 1,9 12.073,10 12.073,11 12.073,12 5.889,13 24.197,14 4.328,15 4.328,16 2.513,17 19.545,18 15.317,20 4,21 3.685,22 3.685,23 1,24 60.694,25 1,26 1,27 5.685,28 0.408,29 3.357,30 3.357,31 5.357,32 3.357,33 5.4,34 2,35 2.626,36 6.853,37 4.112,38 2.077,40 0.793,41 4.775,42 4.775,43 1,44 1.051,45 8.527,46 8.982,47 3.925,48 1.657,49 4.22,50 2.341,51 2.341,52 10.216,53 1.797,54 85.286,55 11.912,56 0.823,57 7.625,58 2.9,59 5.663,60 3,61 0.836,62 2.005,63 9,64 1.098,65 -0.494,66 5.223,67 -1.123,68 1.677,69 8.301}
{0 CHEMBL23874,1 1,2 1,3 3.77,4 6.734,5 6.734,6 5.39,7 2,8 2,9 10.876,10 10.876,11 10.876,12 6.05,13 10.8,14 4.135,15 4.135,16 2.551,17 18.267,18 8.842,19 1,20 2,21 4.441,22 4.441,23 3,24 128.172,25 1,26 1,27 6.441,28 0.298,29 3.16,30 3.16,31 5.16,32 3.16,33 5.259,34 2,35 3.593,36 9.466,37 4.213,38 2.044,40 0.889,41 4.519,42 4.519,44 0.999,45 11.583,46 28.699,47 5.9,48 1.58,49 3.943,50 2.95,51 2.95,52 13.72,54 47.381,55 15.867,56 0.694,57 7.838,58 1.7,59 5.442,60 1,61 0.627,62 1.882,63 7,64 1.049,66 7.387,67 -0.45,68 1.552,69 8.023}
{0 CHEMBL238745,1 1,2 1,3 3.283,4 6.546,5 6.546,6 3.669,7 1,8 1,9 10.357,10 10.357,11 10.357,12 5.89,13 11.053,14 4.092,15 4.092,16 2.401,17 17.144,18 16.192,21 3.63,22 3.63,23 1,24 42.683,25 1,26 1,27 5.63,28 0.344,29 3.095,30 3.095,31 5.095,32 3.095,33 5.171,35 2.485,36 6.849,37 4.117,38 2.057,40 0.822,41 4.39,42 4.39,44 1.191,45 8.526,46 9.089,47 3.925,48 1.542,49 4.081,50 2.341,51 2.341,52 10.216,54 66.334,55 11.912,56 0.716,57 7.625,58 4.7,59 5.318,60 2,61 0.315,62 1.935,63 8,64 1.314,65 0.126,66 5.207,67 -0.734,68 1.553,69 7.387}
{0 CHEMBL23881,1 1,2 1,3 3.635,4 6.704,5 6.704,6 5.299,7 1,8 2,9 10.731,10 10.731,11 10.731,12 6.05,13 22.395,14 4.125,15 4.125,16 2.552,17 18.051,18 8.635,20 1,21 4.441,22 4.441,23 2,24 85.367,25 1,26 1,27 6.441,28 0.317,29 3.143,30 3.143,31 5.143,32 3.143,33 5.248,34 1,35 3.485,36 9.444,37 4.213,38 2.04,40 0.772,41 4.503,42 4.503,44 0.972,45 11.574,46 19.213,47 5.9,48 1.559,49 3.851,50 2.95,51 2.95,52 13.716,54 47.381,55 15.866,56 0.684,57 7.838,59 5.426,60 1,61 0.82,62 1.854,63 7,64 1.055,66 7.339,67 -1.058,68 1.549,69 7.398}
{0 CHEMBL238944,1 1,2 1,3 3.283,4 6.546,5 6.546,6 3.696,7 1,8 1,9 10.357,10 10.357,11 10.357,12 5.89,13 11.072,14 4.092,15 4.092,16 2.405,17 17.144,18 15.763,21 3.63,22 3.63,23 1,24 42.683,25 1,26 1,27 5.63,28 0.327,29 3.095,30 3.095,31 5.095,32 3.095,33 5.172,35 2.601,36 6.85,37 4.117,38 2.026,40 0.851,41 4.392,42 4.392,43 1,44 1.141,45 8.526,46 9.104,47 3.925,48 1.685,49 4.096,50 2.341,51 2.341,52 10.216,54 66.334,55 11.912,56 0.917,57 7.625,58 4.4,59 5.32,60 2,61 0.391,62 1.925,63 8,64 1.363,65 0.118,66 5.212,67 -0.739,68 1.719,69 8.155}
{0 CHEMBL238946,1 1,2 1,3 3.283,4 6.546,5 6.546,6 3.669,7 1,8 1,9 10.357,10 10.357,11 10.357,12 5.89,13 11.047,14 4.092,15 4.092,16 2.407,17 17.144,18 15.432,21 3.63,22 3.63,23 1,24 42.683,25 1,26 1,27 5.63,28 0.339,29 3.095,30 3.095,31 5.095,32 3.095,33 5.171,35 2.485,36 6.849,37 4.117,38 2.017,40 0.826,41 4.39,42 4.39,44 1.134,45 8.526,46 9.084,47 3.925,48 1.541,49 4.081,50 2.341,51 2.341,52 10.216,54 66.334,55 11.912,56 0.716,57 7.625,58 4.9,59 5.318,60 2,61 0.333,62 1.918,63 8,64 1.306,65 0.119,66 5.207,67 -0.74,68 1.553,69 7.638}
{0 CHEMBL238970,1 1,2 1,3 3.601,4 7.123,5 7.123,6 5.579,7 1,8 1,9 11.736,10 11.736,11 11.736,12 9.418,13 10.848,14 4.218,15 4.218,16 5.72,17 18.773,18 15.569,20 1,21 4.461,22 4.461,23 1,24 42.683,25 1,26 1,27 6.461,28 0.28,29 3.338,30 3.338,31 5.338,32 3.338,33 5.309,35 3.477,36 10.755,37 6.762,38 2.074,40 0.886,41 4.528,42 4.528,44 1.012,45 13.424,46 8.908,47 5.409,48 1.617,49 4.231,50 3.825,51 3.825,52 16.102,54 85.286,55 18.784,56 0.802,57 12.086,58 1.6,59 5.45,60 3,61 1.159,62 1.909,63 7,64 0.995,65 -0.324,66 8.114,67 -0.833,68 1.645,69 8.373}
{0 CHEMBL239351,1 1,2 1,3 3.283,4 6.546,5 6.546,6 3.669,7 1,8 1,9 10.357,10 10.357,11 10.357,12 5.89,13 11.039,14 4.092,15 4.092,16 2.401,17 17.144,18 17.943,21 3.63,22 3.63,23 1,24 42.683,25 1,26 1,27 5.63,28 0.322,29 3.095,30 3.095,31 5.095,32 3.095,33 5.171,35 2.485,36 6.849,37 4.117,38 2.04,40 0.838,41 4.38,42 4.38,44 1.126,45 8.526,46 9.078,47 3.925,48 1.541,49 4.014,50 2.341,51 2.341,52 10.216,54 75.81,55 11.912,56 0.716,57 7.625,58 4.9,59 5.308,60 2,61 0.331,62 1.929,63 7,64 1.307,65 0.127,66 5.207,67 -0.734,68 1.553,69 7.62}
{0 CHEMBL239352,1 1,2 1,3 3.283,4 6.546,5 6.546,6 3.669,7 1,8 1,9 10.357,10 10.357,11 10.357,12 5.89,13 11.063,14 4.092,15 4.092,16 2.4,17 17.144,18 16.397,21 3.63,22 3.63,23 1,24 42.683,25 1,26 1,27 5.63,28 0.333,29 3.095,30 3.095,31 5.095,32 3.095,33 5.171,35 2.485,36 6.849,37 4.117,38 2.068,40 0.842,41 4.386,42 4.386,44 1.144,45 8.526,46 9.097,47 3.925,48 1.608,49 4.074,50 2.341,51 2.341,52 10.216,54 66.334,55 11.912,56 0.849,57 7.625,58 4.5,59 5.313,60 2,61 0.412,62 1.941,63 8,64 1.32,65 0.126,66 5.207,67 -0.734,68 1.65,69 7.523}
{0 CHEMBL239353,1 1,2 1,3 3.283,4 6.546,5 6.546,6 3.669,7 1,8 1,9 10.357,10 10.357,11 10.357,12 5.89,13 11.074,14 4.092,15 4.092,16 2.401,17 17.144,18 16.459,21 3.63,22 3.63,23 1,24 42.683,25 1,26 1,27 5.63,28 0.353,29 3.095,30 3.095,31 5.095,32 3.095,33 5.171,35 2.485,36 6.849,37 4.117,38 2.081,40 0.815,41 4.389,42 4.389,44 1.215,45 8.526,46 9.106,47 3.925,48 1.671,49 4.115,50 2.341,51 2.341,52 10.216,54 66.334,55 11.912,56 0.893,57 7.625,58 4.3,59 5.316,60 2,61 0.481,62 1.948,63 8,64 1.326,65 0.622,66 5.207,67 -0.734,68 1.708,69 7.39}
{0 CHEMBL239561,1 1,2 1,3 3.538,4 7.111,5 7.111,6 3.669,7 1,8 1,9 11.659,10 11.659,11 11.659,12 5.89,13 11.084,14 4.315,15 4.315,16 2.401,17 18.562,18 16.491,21 3.63,22 3.63,23 1,24 42.683,25 1,26 1,27 5.63,28 0.314,29 3.316,30 3.316,31 5.316,32 3.316,33 5.394,35 2.485,36 6.849,37 4.117,38 2.096,40 0.761,41 4.462,42 4.462,44 1.284,45 8.526,46 9.115,47 3.925,48 1.703,49 4.349,50 2.341,51 2.341,52 10.216,54 66.334,55 11.912,56 0.909,57 7.625,58 4.1,59 5.39,60 2,61 0.549,62 1.954,63 8,64 1.331,65 0.123,66 5.207,67 -0.734,68 1.735,69 7.553}
{0 CHEMBL239562,1 1,2 1,3 3.283,4 6.546,5 6.546,6 3.696,7 1,8 1,9 10.357,10 10.357,11 10.357,12 5.89,13 11.058,14 4.092,15 4.092,16 2.405,17 17.144,18 15.646,21 3.63,22 3.63,23 1,24 42.683,25 1,26 1,27 5.63,28 0.337,29 3.095,30 3.095,31 5.095,32 3.095,33 5.171,35 2.601,36 6.85,37 4.117,38 2.025,40 0.852,41 4.386,42 4.386,44 1.196,45 8.526,46 9.093,47 3.925,48 1.543,49 4.074,50 2.341,51 2.341,52 10.216,54 66.334,55 11.912,56 0.716,57 7.625,58 4.6,59 5.313,60 2,61 0.421,62 1.923,63 8,64 1.358,65 0.12,66 5.212,67 -0.739,68 1.554,69 7.921}
{0 CHEMBL239563,1 1,2 1,3 3.544,4 6.546,5 6.546,6 3.796,7 1,8 1,9 10.357,10 10.357,11 10.357,12 5.89,13 22.589,14 4.092,15 4.092,16 2.413,17 17.144,18 15.191,21 3.63,22 3.63,23 1,24 42.683,25 1,26 1,27 5.63,28 0.357,29 3.095,30 3.095,31 5.095,32 3.095,33 5.171,35 2.726,36 6.864,37 4.117,38 2.044,40 0.835,41 4.391,42 4.391,43 2,44 1.149,45 8.53,46 9.095,47 3.925,48 1.593,49 4.156,50 2.341,51 2.341,52 10.217,54 66.334,55 11.912,56 0.716,57 7.625,58 4.5,59 5.318,60 2,61 0.411,62 1.933,63 8,64 1.304,65 0.11,66 5.254,67 -0.712,68 1.613,69 7.081}
{0 CHEMBL239771,1 1,2 1,3 3.283,4 6.546,5 6.546,6 3.669,7 1,8 1,9 10.357,10 10.357,11 10.357,12 5.89,13 11.047,14 4.092,15 4.092,16 2.406,17 17.144,18 15.416,21 3.63,22 3.63,23 1,24 42.683,25 1,26 1,27 5.63,28 0.339,29 3.095,30 3.095,31 5.095,32 3.095,33 5.171,35 2.485,36 6.849,37 4.117,38 2.018,40 0.839,41 4.385,42 4.385,44 1.123,45 8.526,46 9.083,47 3.925,48 1.541,49 4.062,50 2.341,51 2.341,52 10.216,54 66.334,55 11.912,56 0.716,57 7.625,58 4.9,59 5.313,60 2,61 0.363,62 1.917,63 8,64 1.306,65 0.12,66 5.207,67 -0.739,68 1.553,69 8.155}
{0 CHEMBL240437,1 1,2 1,3 3.283,4 6.546,5 6.546,6 3.669,7 1,8 1,9 10.357,10 10.357,11 10.357,12 5.89,13 11.082,14 4.092,15 4.092,16 2.399,17 17.144,18 16.503,21 3.63,22 3.63,23 1,24 42.683,25 1,26 1,27 5.63,28 0.323,29 3.095,30 3.095,31 5.095,32 3.095,33 5.172,35 2.485,36 6.849,37 4.117,38 2.07,40 0.838,41 4.398,42 4.398,44 1.058,45 8.526,46 9.113,47 3.925,48 1.641,49 4.085,50 2.341,51 2.341,52 10.216,54 66.334,55 11.912,56 0.873,57 7.625,58 4.3,59 5.327,60 2,61 0.396,62 1.962,63 8,64 1.326,65 0.125,66 5.207,67 -0.733,68 1.68,69 8.699}
{0 CHEMBL240459,1 1,2 1,3 3.283,4 6.546,5 6.546,6 3.669,7 1,8 1,9 10.357,10 10.357,11 10.357,12 5.89,13 11.06,14 4.092,15 4.092,16 2.4,17 17.144,18 16.531,21 3.63,22 3.63,23 1,24 42.683,25 1,26 1,27 5.63,28 0.333,29 3.095,30 3.095,31 5.095,32 3.095,33 5.172,35 2.485,36 6.849,37 4.117,38 2.068,40 0.791,41 4.378,42 4.378,44 1.018,45 8.526,46 9.096,47 3.925,48 1.603,49 4.002,50 2.341,51 2.341,52 10.216,54 75.81,55 11.912,56 0.837,57 7.625,58 4.5,59 5.304,60 2,61 0.331,62 1.936,63 8,64 1.32,65 0.126,66 5.207,67 -0.734,68 1.646,69 7.959}
{0 CHEMBL240868,1 1,2 1,3 3.283,4 6.546,5 6.546,6 3.685,7 1,8 1,9 10.357,10 10.357,11 10.357,12 5.889,13 10.988,14 4.092,15 4.092,16 2.406,17 17.144,18 13.723,21 3.63,22 3.63,23 1,24 42.683,25 1,26 1,27 5.63,28 0.301,29 3.095,30 3.095,31 5.095,32 3.095,33 5.2,35 2.527,36 6.85,37 4.112,38 2.003,40 0.874,41 4.378,42 4.378,44 1.008,45 8.526,46 9.036,47 3.925,48 1.527,49 3.902,50 2.341,51 2.341,52 10.216,54 55.03,55 11.912,56 0.706,57 7.625,58 3.5,59 5.299,60 2,61 0.423,62 1.885,63 7,64 1.169,65 0.123,66 5.21,67 -0.74,68 1.518,69 8.523}
{0 CHEMBL241063,1 1,2 1,3 3.588,4 6.546,5 6.546,6 3.81,7 1,8 1,9 10.357,10 10.357,11 10.357,12 5.889,13 22.629,14 4.092,15 4.092,16 2.419,17 17.144,18 11.332,21 3.63,22 3.63,23 1,24 42.683,25 1,26 1,27 5.63,28 0.348,29 3.095,30 3.095,31 5.095,32 3.095,33 5.21,35 2.759,36 6.865,37 4.112,38 2.003,40 0.749,41 4.46,42 4.46,43 1,44 0.975,45 8.53,46 9.043,47 3.925,48 1.557,49 4.059,50 2.341,51 2.341,52 10.217,54 47.381,55 11.912,56 0.706,57 7.625,58 3.4,59 5.381,60 2,61 0.485,62 1.884,63 8,64 1.164,65 0.106,66 5.257,67 -0.73,68 1.583,69 7.252}
{0 CHEMBL241078,1 1,2 1,3 3.236,4 6.53,5 6.53,6 3.685,7 1,8 1,9 10.317,10 10.317,11 10.317,12 5.889,13 10.771,14 4.022,15 4.022,16 2.444,17 17.133,18 18.542,21 3.601,22 3.601,23 1,24 42.683,25 1,26 1,27 5.601,28 0.297,29 3.063,30 3.063,31 5.063,32 3.063,33 5.123,35 2.527,36 6.85,37 4.112,38 2.064,40 0.829,41 4.418,42 4.418,44 1.138,45 8.526,46 8.855,47 3.925,48 1.542,49 3.789,50 2.341,51 2.341,52 10.216,54 83.459,55 11.912,56 0.692,57 7.625,59 5.34,60 3,61 0.295,62 1.905,63 7,64 1.077,65 0.016,66 5.21,67 -0.778,68 1.578,69 7.387}
{0 CHEMBL241269,1 1,2 1,3 3.283,4 6.546,5 6.546,6 3.712,7 1,8 1,9 10.357,10 10.357,11 10.357,12 5.889,13 10.994,14 4.092,15 4.092,16 2.411,17 17.144,18 13.388,21 3.63,22 3.63,23 1,24 42.683,25 1,26 1,27 5.63,28 0.294,29 3.095,30 3.095,31 5.095,32 3.095,33 5.208,35 2.639,36 6.85,37 4.112,38 2.003,40 0.862,41 4.378,42 4.378,44 1.042,45 8.526,46 9.04,47 3.925,48 1.527,49 3.904,50 2.341,51 2.341,52 10.216,54 55.03,55 11.912,56 0.706,57 7.625,58 3.4,59 5.299,60 2,61 0.395,62 1.884,63 7,64 1.216,65 0.117,66 5.215,67 -0.744,68 1.518,69 8.523}
{0 CHEMBL241286,1 1,2 1,3 3.236,4 6.53,5 6.53,6 3.685,7 1,8 1,9 10.317,10 10.317,11 10.317,12 5.889,13 10.767,14 4.032,15 4.032,16 2.448,17 17.133,18 15.978,21 3.601,22 3.601,23 1,24 42.683,25 1,26 1,27 5.601,28 0.299,29 3.063,30 3.063,31 5.063,32 3.063,33 5.135,35 2.527,36 6.85,37 4.112,38 2.064,40 0.814,41 4.418,42 4.418,44 0.994,45 8.526,46 8.852,47 3.925,48 1.476,49 3.789,50 2.341,51 2.341,52 10.216,54 64.507,55 11.912,56 0.691,57 7.625,58 1.7,59 5.34,60 3,61 0.297,62 1.905,63 7,64 1.15,65 -0.013,66 5.21,67 -0.781,68 1.504,69 7.658}
{0 CHEMBL241298,1 1,2 1,3 3.236,4 6.53,5 6.53,6 3.685,7 1,8 1,9 10.317,10 10.317,11 10.317,12 5.889,13 10.762,14 4.036,15 4.036,16 2.454,17 17.133,18 14.965,21 3.601,22 3.601,23 1,24 42.683,25 1,26 1,27 5.601,28 0.309,29 3.063,30 3.063,31 5.063,32 3.063,33 5.128,35 2.527,36 6.85,37 4.112,38 2.064,40 0.792,41 4.418,42 4.418,44 0.975,45 8.526,46 8.846,47 3.925,48 1.548,49 3.789,50 2.341,51 2.341,52 10.216,54 68.597,55 11.912,56 0.691,57 7.625,58 1.7,59 5.34,60 3,61 0.43,62 1.905,63 7,64 1.261,65 -0.047,66 5.21,67 -0.787,68 1.505,69 6.562}
{0 CHEMBL241299,1 1,2 1,3 3.255,4 6.525,5 6.525,6 3.685,7 1,8 1,9 10.297,10 10.297,11 10.297,12 5.889,13 10.759,14 4.019,15 4.019,16 2.458,17 17.101,18 18.756,21 3.601,22 3.601,23 1,24 42.683,25 1,26 1,27 5.601,28 0.301,29 3.054,30 3.054,31 5.054,32 3.054,33 5.108,35 2.527,36 6.85,37 4.112,38 2.063,40 0.833,41 4.408,42 4.408,44 0.967,45 8.526,46 8.843,47 3.925,48 1.476,49 3.753,50 2.341,51 2.341,52 10.216,54 85.286,55 11.912,56 0.691,57 7.625,58 1.8,59 5.33,60 3,61 0.477,62 1.909,63 7,64 1.171,65 -0.07,66 5.21,67 -0.791,68 1.505,69 7.62}
{0 CHEMBL241471,1 1,2 1,3 3.235,4 6.529,5 6.529,6 3.685,7 1,8 1,9 10.314,10 10.314,11 10.314,12 5.889,13 10.781,14 4.033,15 4.033,16 2.45,17 17.119,18 19.771,21 3.601,22 3.601,23 1,24 42.683,25 1,26 1,27 5.601,28 0.295,29 3.059,30 3.059,31 5.059,32 3.059,33 5.121,35 2.527,36 6.85,37 4.112,38 2.072,40 0.824,41 4.413,42 4.413,44 0.982,45 8.526,46 8.862,47 3.925,48 1.587,49 3.775,50 2.341,51 2.341,52 10.216,54 85.286,55 11.912,56 0.787,57 7.625,58 1.6,59 5.335,60 3,61 0.301,62 1.909,63 7,64 1.196,65 -0.027,66 5.21,67 -0.783,68 1.624,69 8.285}
{0 CHEMBL241472,1 1,2 1,3 3.235,4 6.529,5 6.529,6 3.685,7 1,8 1,9 10.314,10 10.314,11 10.314,12 5.889,13 10.781,14 4.039,15 4.039,16 2.449,17 17.119,18 19.741,21 3.601,22 3.601,23 1,24 42.683,25 1,26 1,27 5.601,28 0.295,29 3.059,30 3.059,31 5.059,32 3.059,33 5.127,35 2.527,36 6.85,37 4.112,38 2.077,40 0.813,41 4.413,42 4.413,44 1.051,45 8.526,46 8.862,47 3.925,48 1.585,49 3.775,50 2.341,51 2.341,52 10.216,54 75.81,55 11.912,56 0.765,57 7.625,58 1.6,59 5.335,60 3,61 0.354,62 1.907,63 7,64 1.196,65 -0.02,66 5.21,67 -0.783,68 1.621,69 7.824}
{0 CHEMBL241478,1 1,2 1,3 3.601,4 7.123,5 7.123,6 5.579,7 1,8 1,9 11.736,10 11.736,11 11.736,12 9.418,13 10.759,14 4.218,15 4.218,16 5.719,17 18.773,18 15.441,21 4.461,22 4.461,23 1,24 42.683,25 1,26 1,27 6.461,28 0.289,29 3.338,30 3.338,31 5.338,32 3.338,33 5.308,35 3.477,36 10.755,37 6.762,38 2.064,40 0.884,41 4.528,42 4.528,44 1.02,45 13.424,46 8.835,47 5.409,48 1.487,49 4.231,50 3.825,51 3.825,52 16.102,54 85.286,55 18.784,56 0.692,57 12.086,58 1.7,59 5.45,60 3,61 1.017,62 1.909,63 7,64 0.982,65 -0.324,66 8.114,67 -0.84,68 1.506,69 8.31}
{0 CHEMBL241479,1 1,2 1,3 3.235,4 6.529,5 6.529,6 3.685,7 1,8 1,9 10.314,10 10.314,11 10.314,12 5.889,13 10.869,14 4.033,15 4.033,16 2.443,17 17.119,18 19.899,20 1,21 3.601,22 3.601,23 1,24 42.683,25 1,26 1,27 5.601,28 0.286,29 3.059,30 3.059,31 5.059,32 3.059,33 5.122,35 2.527,36 6.85,37 4.112,38 2.076,40 0.832,41 4.413,42 4.413,44 1.003,45 8.526,46 8.935,47 3.925,48 1.623,49 3.775,50 2.341,51 2.341,52 10.216,54 85.286,55 11.912,56 0.804,57 7.625,58 1.5,59 5.335,60 3,61 0.8,62 1.909,63 7,64 1.207,65 -0.027,66 5.21,67 -0.776,68 1.652,69 8.339}
{0 CHEMBL242007,1 1,2 1,3 4.437,4 7.6,5 7.6,6 6.318,7 1,8 1,9 13.742,10 13.742,11 13.742,12 9.783,13 11.75,14 4.444,15 4.444,16 5.984,17 20.752,18 11.059,21 4.437,22 4.437,23 1,24 42.683,25 1,27 6.437,28 0.248,29 3.486,30 3.486,31 5.486,32 3.486,33 5.593,35 4.036,36 11.488,37 7.016,38 1.994,40 0.866,41 4.561,42 4.561,44 0.67,45 14.17,46 9.631,47 7.305,48 1.508,49 4.196,50 4.032,51 4.032,52 16.885,54 66.334,55 19.623,56 0.59,57 12.558,58 3.6,59 5.5,60 3,61 0.398,62 1.86,63 7,64 0.942,66 8.856,67 -0.919,68 1.446,69 6}
{0 CHEMBL244573,1 1,2 1,3 4.437,4 7.111,5 7.111,6 6.216,7 1,8 1,9 11.659,10 11.659,11 11.659,12 9.425,13 10.584,14 4.176,15 4.176,16 5.623,17 18.562,18 10.186,21 4.46,22 4.46,23 1,24 42.683,25 1,27 6.46,28 0.289,29 3.315,30 3.315,31 5.315,32 3.315,33 5.319,35 3.979,36 11.204,37 6.771,38 2.004,40 0.891,41 4.456,42 4.456,44 0.523,45 13.774,46 8.673,47 7.098,48 1.389,49 4.234,50 3.825,51 3.825,52 16.371,54 66.334,55 18.987,56 0.361,57 12.09,58 4.5,59 5.3,60 3,61 0.707,62 1.582,63 7,64 0.893,66 8.673,67 -1.039,68 1.402,69 8}
{0 CHEMBL244574,1 1,2 1,3 4.437,4 7.228,5 7.228,6 6.216,7 1,8 1,9 12.079,10 12.079,11 12.079,12 9.425,13 11.237,14 4.312,15 4.312,16 5.627,17 19.079,18 10.227,21 4.46,22 4.46,23 1,24 42.683,25 1,27 6.46,28 0.27,29 3.36,30 3.36,31 5.36,32 3.36,33 5.457,35 3.979,36 11.204,37 6.771,38 2.004,40 1.191,41 4.462,42 4.462,44 0.4,45 13.774,46 9.201,47 7.098,48 1.389,49 4.254,50 3.825,51 3.825,52 16.371,54 66.334,55 18.987,56 0.469,57 12.09,58 4,59 5.311,60 3,61 0.712,62 1.857,63 7,64 0.926,66 8.673,67 -1.05,68 1.402,69 8.222}
{0 CHEMBL244575,1 1,2 1,3 4.1,4 7.228,5 7.228,6 5.619,7 1,8 1,9 12.079,10 12.079,11 12.079,12 6.111,13 11.237,14 4.312,15 4.312,16 2.668,17 19.079,18 13.172,21 4.437,22 4.437,23 1,24 42.683,25 1,27 6.437,28 0.282,29 3.36,30 3.36,31 5.36,32 3.36,33 5.457,35 3.515,36 10.224,37 4.238,38 1.999,40 1.645,41 4.462,42 4.462,44 0.65,45 12.573,46 9.209,47 6.545,48 1.277,49 4.175,50 3.272,51 3.272,52 14.933,54 66.334,55 17.298,56 0.469,57 7.928,58 4.3,59 5.311,60 3,61 0.508,62 1.857,63 7,64 1.098,66 7.896,67 -1.002,68 1.308,69 7.745}
{0 CHEMBL24458,3 4.46,4 7.111,5 7.111,6 6.857,9 11.657,10 11.657,11 11.657,12 10.163,13 35.679,14 4.171,15 4.171,16 5.672,17 18.533,18 9.345,20 1,21 4.838,22 4.838,24 36.022,27 6.838,28 0.326,29 3.313,30 3.313,31 5.313,32 3.313,33 5.258,35 4.263,36 12.589,37 7.214,38 2.043,39 1,40 0.957,41 4.439,42 4.439,44 0.747,45 15.495,47 8.622,48 1.433,49 4.106,50 4.464,51 4.464,52 18.412,54 66.334,55 21.341,56 0.259,57 13.14,58 4.3,59 5.37,61 0.638,62 1.66,63 5,64 0.925,65 -0.575,66 9.701,67 -1.268,68 1.438,69 5.021}
{0 CHEMBL244786,1 1,2 1,3 4.1,4 7.228,5 7.228,6 5.619,7 1,8 1,9 12.079,10 12.079,11 12.079,12 6.111,13 11.287,14 4.315,15 4.315,16 2.662,17 19.079,18 14.222,21 4.437,22 4.437,23 1,24 42.683,25 1,27 6.437,28 0.259,29 3.36,30 3.36,31 5.36,32 3.36,33 5.461,35 3.515,36 10.224,37 4.238,38 2.089,40 1.368,41 4.462,42 4.462,44 0.867,45 12.573,46 9.251,47 6.545,48 1.395,49 4.254,50 3.272,51 3.272,52 14.933,54 66.334,55 17.298,56 0.59,57 7.928,58 3.4,59 5.311,60 3,61 0.799,62 1.857,63 7,64 1.152,66 7.896,67 -0.995,68 1.442,69 7.032}
{0 CHEMBL245454,1 1,2 1,3 3.104,4 5.968,5 5.968,6 3.909,7 1,8 1,9 8.443,10 8.443,11 8.443,12 6.111,13 11.131,14 3.78,15 3.78,16 2.614,17 14.443,18 13.419,21 3.788,22 3.788,23 1,24 42.683,25 1,27 5.788,28 0.25,29 2.808,30 2.808,31 4.808,32 2.808,33 4.83,35 2.699,36 7.143,37 4.238,38 2.036,40 0.999,41 4.177,42 4.177,43 1,44 1.054,45 8.879,46 9.129,47 4.104,48 1.246,49 3.852,50 2.423,51 2.423,52 10.635,54 85.286,55 12.399,56 0.298,57 7.928,59 5.025,60 2,61 0.286,62 1.818,63 5,64 1.085,65 -0.82,66 5.457,67 -0.948,68 1.217,69 4.699}
{0 CHEMBL245464,1 1,2 1,3 3.787,4 7.12,5 7.12,6 5.611,7 1,8 1,9 11.711,10 11.711,11 11.711,12 9.425,13 11.367,14 4.213,15 4.213,16 5.742,17 18.735,18 19.507,20 1,21 4.461,22 4.461,23 1,24 42.683,25 1,27 6.461,28 0.283,29 3.335,30 3.335,31 5.335,32 3.335,33 5.282,35 3.556,36 10.761,37 6.772,38 2.031,40 0.999,41 4.576,42 4.576,43 2,44 0.658,45 13.427,46 9.304,47 5.506,48 1.584,49 4.113,50 3.825,51 3.825,52 16.104,53 0.34,54 113.715,55 18.785,56 0.715,57 12.09,58 3.1,59 5.511,60 2,61 0.631,62 1.982,63 5,64 1.061,65 -0.976,66 8.128,67 -1.053,68 1.56,69 6.796}
{0 CHEMBL245465,1 1,2 1,3 3.242,4 6.39,5 6.39,6 3.879,7 1,8 1,9 9.958,10 9.958,11 9.958,12 6.112,13 11.375,14 4.042,15 4.042,16 2.639,17 16.637,18 23.16,20 1,21 3.787,22 3.787,23 1,24 42.683,25 1,27 5.787,28 0.298,29 3.08,30 3.08,31 5.08,32 3.08,33 5.11,35 2.721,36 7.139,37 4.245,38 2.031,40 1.08,41 4.508,42 4.508,43 2,44 1.069,45 8.878,46 9.324,47 4.104,48 1.584,49 3.898,50 2.423,51 2.423,52 10.635,53 1.551,54 113.715,55 12.399,56 0.715,57 7.928,58 3.1,59 5.444,60 2,61 0.923,62 2.002,63 5,64 1.301,65 -0.878,66 5.444,67 -0.972,68 1.562,69 5.301}
{0 CHEMBL245664,1 1,2 1,3 3.243,4 6.39,5 6.39,6 3.879,7 1,8 2,9 9.958,10 9.958,11 9.958,12 6.112,13 11.357,14 4.04,15 4.04,16 2.66,17 16.637,18 21.774,20 1,21 3.787,22 3.787,23 2,24 85.367,25 1,27 5.787,28 0.301,29 3.08,30 3.08,31 5.08,32 3.08,33 5.109,34 2,35 2.721,36 7.139,37 4.245,38 2.031,40 1.004,41 4.508,42 4.508,43 2,44 1.099,45 8.878,46 19.095,47 4.104,48 1.581,49 3.898,50 2.423,51 2.423,52 10.635,53 1.141,54 113.715,55 12.399,56 0.715,57 7.928,58 3.2,59 5.444,60 2,61 1.032,62 1.963,63 5,64 1.282,65 -0.902,66 5.444,67 -0.993,68 1.559,69 6.854}
{0 CHEMBL245865,1 1,2 1,3 3.236,4 6.378,5 6.378,6 3.879,7 1,8 1,9 9.913,10 9.913,11 9.913,12 6.112,13 11.349,14 4.022,15 4.022,16 2.66,17 16.576,18 20.835,20 1,21 3.787,22 3.787,23 1,24 42.683,25 1,27 5.787,28 0.301,29 3.064,30 3.064,31 5.064,32 3.064,33 5.092,35 2.721,36 7.139,37 4.245,38 2.03,40 0.998,41 4.486,42 4.486,43 2,44 0.984,45 8.878,46 9.299,47 4.104,48 1.581,49 4.011,50 2.423,51 2.423,52 10.635,53 1.457,54 113.715,55 12.399,56 0.715,57 7.928,58 3.2,59 5.422,60 2,61 0.845,62 1.974,63 5,64 1.176,65 -0.901,66 5.444,67 -0.993,68 1.558,69 5.796}
{0 CHEMBL245866,1 1,2 1,3 3.236,4 6.378,5 6.378,6 3.902,7 1,8 1,9 9.913,10 9.913,11 9.913,12 6.112,13 11.377,14 4.022,15 4.022,16 2.645,17 16.576,18 22.58,20 1,21 3.787,22 3.787,23 1,24 42.683,25 1,27 5.787,28 0.292,29 3.064,30 3.064,31 5.064,32 3.064,33 5.094,35 2.814,36 7.14,37 4.245,38 2.03,40 1.123,41 4.486,42 4.486,43 2,44 1.085,45 8.878,46 9.324,47 4.104,48 1.594,49 4.035,50 2.423,51 2.423,52 10.635,53 1.507,54 113.715,55 12.399,56 0.715,57 7.928,58 3,59 5.422,60 2,61 0.935,62 1.981,63 5,64 1.345,65 -0.886,66 5.447,67 -0.979,68 1.571,69 5.77}
{0 CHEMBL246069,1 1,2 1,3 3.781,4 6.378,5 6.378,6 4.711,7 1,8 1,9 9.913,10 9.913,11 9.913,12 7.051,13 33.366,14 4.022,15 4.022,16 2.676,17 16.576,18 20.826,20 1,21 3.787,22 3.787,23 1,24 42.683,25 1,27 5.787,28 0.311,29 3.064,30 3.064,31 5.064,32 3.064,33 5.095,35 3.273,36 8.212,37 5.071,38 2.031,40 1.033,41 4.486,42 4.486,43 2,44 1.076,45 10.044,46 9.313,47 4.612,48 1.669,49 4.117,50 2.612,51 2.612,52 11.896,53 1.402,54 113.715,55 13.763,56 0.715,57 8.978,58 4.7,59 5.423,60 2,61 0.84,62 1.993,63 5,64 1.268,65 -0.922,66 6.419,67 -1.009,68 1.586,69 5.854}
{0 CHEMBL246070,1 1,2 1,3 3.236,4 6.378,5 6.378,6 3.879,7 1,8 1,9 9.913,10 9.913,11 9.913,12 6.112,13 11.368,14 4.022,15 4.022,16 2.639,17 16.576,18 23.162,20 1,21 3.787,22 3.787,23 1,24 42.683,25 1,27 5.787,28 0.298,29 3.064,30 3.064,31 5.064,32 3.064,33 5.091,35 2.721,36 7.139,37 4.245,38 2.036,40 1.096,41 4.486,42 4.486,43 2,44 1.13,45 8.878,46 9.318,47 4.104,48 1.593,49 4.011,50 2.423,51 2.423,52 10.635,53 1.528,54 113.715,55 12.399,56 0.718,57 7.928,58 3.1,59 5.422,60 2,61 0.9,62 1.993,63 5,64 1.301,65 -0.877,66 5.444,67 -0.973,68 1.572,69 6.921}
{0 CHEMBL246279,1 1,2 1,3 3.021,4 6.309,5 6.309,6 3.909,7 1,8 1,9 9.689,10 9.689,11 9.689,12 6.111,13 11.298,14 4.019,15 4.019,16 2.617,17 16.156,18 34.823,21 3.788,22 3.788,23 1,24 42.683,25 1,27 5.788,28 0.26,29 3.019,30 3.019,31 5.019,32 3.019,33 5.07,35 2.699,36 7.143,37 4.238,38 2.124,40 0.949,41 4.396,42 4.396,43 1,44 1.077,45 8.879,46 9.264,47 4.104,48 1.636,49 4.052,50 2.423,51 2.423,52 10.635,54 180.049,55 12.399,56 0.84,57 7.928,59 5.245,60 2,61 0.336,62 2.003,63 7,64 1.001,65 -0.836,66 5.457,67 -0.95,68 1.654,69 5.398}
{0 CHEMBL246281,1 1,2 1,3 3.236,4 6.378,5 6.378,6 3.879,7 1,8 1,9 9.913,10 9.913,11 9.913,12 6.112,13 11.387,14 4.022,15 4.022,16 2.639,17 16.576,18 21.291,20 1,21 3.787,22 3.787,23 1,24 42.683,25 1,27 5.787,28 0.318,29 3.064,30 3.064,31 5.064,32 3.064,33 5.093,35 2.721,36 7.139,37 4.245,38 2.054,40 1.068,41 4.486,42 4.486,43 2,44 1.122,45 8.878,46 9.333,47 4.104,48 1.597,49 4.117,50 2.423,51 2.423,52 10.635,53 1.529,54 104.239,55 12.399,56 0.719,57 7.928,58 2.9,59 5.423,60 2,61 0.887,62 1.993,63 6,64 1.307,65 -0.879,66 5.444,67 -0.972,68 1.575,69 6.081}
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{0 CHEMBL246485,1 1,2 1,3 3.694,4 6.078,5 6.078,6 4.398,7 1,8 1,9 8.888,10 8.888,11 8.888,12 6.111,13 36.608,14 3.888,15 3.888,16 2.667,17 15.153,18 29.076,21 3.788,22 3.788,23 1,24 42.683,25 1,27 5.788,28 0.28,29 2.922,30 2.922,31 4.922,32 2.922,33 4.97,35 3.261,36 7.322,37 4.238,38 2.04,40 1.178,41 4.277,42 4.277,43 3,44 0.975,45 8.972,46 9.276,47 4.104,48 1.667,49 4.079,50 2.423,51 2.423,52 10.681,54 180.049,55 12.421,56 0.857,57 7.928,59 5.126,60 2,61 0.567,62 2.013,63 7,64 1.083,65 -0.899,66 5.776,67 -2.084,68 1.68,69 5.523}
{0 CHEMBL246510,1 1,2 1,3 3.236,4 6.378,5 6.378,6 3.879,7 1,8 2,9 9.913,10 9.913,11 9.913,12 6.112,13 11.356,14 4.022,15 4.022,16 2.653,17 16.576,18 21.611,20 2,21 3.787,22 3.787,23 2,24 85.367,25 1,27 5.787,28 0.301,29 3.064,30 3.064,31 5.064,32 3.064,33 5.092,35 2.721,36 7.139,37 4.245,38 2.03,40 1.051,41 4.486,42 4.486,43 2,44 1.109,45 8.878,46 18.724,47 4.104,48 1.582,49 4.011,50 2.423,51 2.423,52 10.635,53 1.481,54 113.715,55 12.399,56 0.715,57 7.928,58 3.2,59 5.422,60 2,61 0.879,62 1.977,63 5,64 1.282,65 -0.893,66 5.444,67 -0.986,68 1.558,69 8.523}
{0 CHEMBL247303,1 1,2 1,3 3.235,4 6.378,5 6.378,6 3.681,7 1,8 1,9 9.911,10 9.911,11 9.911,12 5.89,13 10.716,14 3.962,15 3.962,16 2.45,17 16.569,18 26.197,21 3.6,22 3.6,23 1,24 42.683,25 1,26 1,27 5.6,28 0.258,29 3.063,30 3.063,31 5.063,32 3.063,33 5.098,35 2.529,36 6.85,37 4.12,38 2.048,40 0.857,41 4.486,42 4.486,44 0.983,45 8.526,46 8.81,47 3.925,48 1.42,49 3.958,50 2.341,51 2.341,52 10.216,53 2.187,54 123.191,55 11.912,56 0.655,57 7.625,58 3.6,59 5.406,60 2,61 0.33,62 1.98,63 4,64 1.126,66 5.21,67 -0.784,68 1.432,69 5.551}
{0 CHEMBL247507,1 1,2 1,3 3.539,4 7.111,5 7.111,6 3.681,7 1,8 1,9 11.657,10 11.657,11 11.657,12 5.89,13 10.777,14 4.314,15 4.314,16 2.451,17 18.54,18 24.74,21 3.6,22 3.6,23 1,24 42.683,25 1,26 1,27 5.6,28 0.257,29 3.314,30 3.314,31 5.314,32 3.314,33 5.451,35 2.529,36 6.85,37 4.12,38 2.1,40 0.749,41 4.487,42 4.487,44 1.126,45 8.526,46 8.859,47 3.925,48 1.677,49 4.042,50 2.341,51 2.341,52 10.216,53 2.187,54 113.715,55 11.912,56 0.876,57 7.625,58 3,59 5.408,60 2,61 0.326,62 1.98,63 5,64 1.17,66 5.21,67 -0.784,68 1.684,69 5.312}
{0 CHEMBL247508,1 1,2 1,3 3.6,4 7.111,5 7.111,6 5.578,7 1,8 1,9 11.657,10 11.657,11 11.657,12 9.418,13 10.727,14 4.171,15 4.171,16 5.623,17 18.54,18 20.191,21 4.46,22 4.46,23 1,24 42.683,25 1,26 1,27 6.46,28 0.267,29 3.314,30 3.314,31 5.314,32 3.314,33 5.309,35 3.478,36 10.755,37 6.762,38 2.045,40 0.88,41 4.487,42 4.487,44 0.668,45 13.424,46 8.809,47 5.409,48 1.491,49 4.042,50 3.825,51 3.825,52 16.102,53 1.889,54 113.715,55 18.784,56 0.68,57 12.086,58 3.4,59 5.408,60 2,61 0.433,62 1.98,63 5,64 0.945,66 8.114,67 -0.84,68 1.463,69 6.027}
{0 CHEMBL247703,1 1,2 1,3 3.235,4 6.378,5 6.378,6 3.681,7 1,8 1,9 9.911,10 9.911,11 9.911,12 5.89,13 10.7,14 3.96,15 3.96,16 2.448,17 16.57,18 22.148,21 3.6,22 3.6,23 1,24 42.683,25 1,26 1,27 5.6,28 0.261,29 3.063,30 3.063,31 5.063,32 3.063,33 5.104,35 2.529,36 6.85,37 4.12,38 2.042,40 0.888,41 4.486,42 4.486,44 0.924,45 8.526,46 8.797,47 3.925,48 1.445,49 3.975,50 2.341,51 2.341,52 10.216,53 2.202,54 102.412,55 11.912,56 0.647,57 7.625,58 3.8,59 5.408,60 2,61 0.31,62 1.833,63 4,64 1.082,66 5.21,67 -0.781,68 1.496,69 5.759}
{0 CHEMBL247704,1 1,2 1,3 3.241,4 6.389,5 6.389,6 3.681,7 1,8 1,9 9.957,10 9.957,11 9.957,12 5.89,13 10.733,14 3.986,15 3.986,16 2.45,17 16.631,18 24.392,21 3.6,22 3.6,23 1,24 42.683,25 1,26 1,27 5.6,28 0.281,29 3.079,30 3.079,31 5.079,32 3.079,33 5.125,35 2.529,36 6.85,37 4.12,38 2.048,40 0.832,41 4.508,42 4.508,44 0.947,45 8.526,46 8.823,47 3.925,48 1.458,49 3.973,50 2.341,51 2.341,52 10.216,53 2.211,54 113.715,55 11.912,56 0.655,57 7.625,58 3.4,59 5.429,60 2,61 0.346,62 2.012,63 5,64 1.138,66 5.21,67 -0.783,68 1.478,69 5.583}
{0 CHEMBL247705,1 1,2 1,3 3.231,4 6.378,5 6.378,6 3.681,7 1,8 1,9 9.911,10 9.911,11 9.911,12 5.89,13 10.705,14 3.962,15 3.962,16 2.446,17 16.568,18 26.365,21 3.6,22 3.6,23 1,24 42.683,25 1,26 1,27 5.6,28 0.249,29 3.062,30 3.062,31 5.062,32 3.062,33 5.095,35 2.529,36 6.85,37 4.12,38 2.049,40 0.863,41 4.486,42 4.486,44 1.039,45 8.526,46 8.802,47 3.925,48 1.523,49 3.959,50 2.341,51 2.341,52 10.216,53 2.226,54 123.191,55 11.912,56 0.733,57 7.625,58 3.4,59 5.421,60 2,61 0.29,62 1.98,63 4,64 1.138,66 5.21,67 -0.779,68 1.535,69 5.593}
{0 CHEMBL247748,1 1,2 1,3 3.236,4 6.378,5 6.378,6 3.879,7 1,8 1,9 9.913,10 9.913,11 9.913,12 6.112,13 11.349,14 4.022,15 4.022,16 2.66,17 16.576,18 20.835,20 1,21 3.787,22 3.787,23 1,24 42.683,25 1,27 5.787,28 0.301,29 3.064,30 3.064,31 5.064,32 3.064,33 5.092,35 2.721,36 7.139,37 4.245,38 2.03,40 0.998,41 4.486,42 4.486,43 2,44 0.984,45 8.878,46 9.299,47 4.104,48 1.581,49 4.011,50 2.423,51 2.423,52 10.635,53 1.457,54 113.715,55 12.399,56 0.715,57 7.928,58 3.2,59 5.422,60 2,61 0.845,62 1.974,63 5,64 1.176,65 -0.901,66 5.444,67 -0.993,68 1.558,69 5.924}
{0 CHEMBL247749,1 1,2 1,3 3.236,4 6.378,5 6.378,6 3.879,7 1,8 1,9 9.913,10 9.913,11 9.913,12 6.112,13 11.349,14 4.022,15 4.022,16 2.66,17 16.576,18 20.835,20 1,21 3.787,22 3.787,23 1,24 42.683,25 1,27 5.787,28 0.301,29 3.064,30 3.064,31 5.064,32 3.064,33 5.092,35 2.721,36 7.139,37 4.245,38 2.03,40 0.998,41 4.486,42 4.486,43 2,44 0.984,45 8.878,46 9.299,47 4.104,48 1.581,49 4.011,50 2.423,51 2.423,52 10.635,53 1.457,54 113.715,55 12.399,56 0.715,57 7.928,58 3.2,59 5.422,60 2,61 0.845,62 1.974,63 5,64 1.176,65 -0.901,66 5.444,67 -0.993,68 1.558,69 5.804}
{0 CHEMBL247908,1 1,2 1,3 3.235,4 6.378,5 6.378,6 3.681,7 1,8 1,9 9.911,10 9.911,11 9.911,12 5.89,13 10.827,14 3.962,15 3.962,16 2.446,17 16.569,18 24.439,21 3.601,22 3.601,23 1,24 42.683,25 1,26 1,27 5.601,28 0.281,29 3.063,30 3.063,31 5.063,32 3.063,33 5.099,35 2.529,36 6.85,37 4.12,38 2.063,40 0.82,41 4.486,42 4.486,44 0.984,45 8.526,46 8.901,47 3.925,48 1.458,49 3.959,50 2.341,51 2.341,52 10.216,53 2.188,54 113.715,55 11.912,56 0.659,57 7.625,58 3.4,59 5.407,60 3,61 0.32,62 1.98,63 5,64 1.138,66 5.21,67 -0.78,68 1.483,69 5.932}
{0 CHEMBL247909,1 1,2 1,3 3.247,4 6.389,5 6.389,6 3.681,7 1,8 1,9 9.957,10 9.957,11 9.957,12 5.89,13 10.784,14 3.979,15 3.979,16 2.448,17 16.632,18 18.009,20 1,21 3.6,22 3.6,23 1,24 42.683,25 1,26 1,27 5.6,28 0.294,29 3.08,30 3.08,31 5.08,32 3.08,33 5.125,35 2.529,36 6.85,37 4.12,38 2.06,40 0.9,41 4.508,42 4.508,44 1.031,45 8.526,46 8.866,47 3.925,48 1.506,49 3.989,50 2.341,51 2.341,52 10.216,53 2.05,54 83.459,55 11.912,56 0.656,57 7.625,58 3.4,59 5.447,60 2,61 0.953,62 1.896,63 6,64 1.107,66 5.21,67 -0.781,68 1.546,69 6.409}
{0 CHEMBL247937,1 1,2 1,3 3.184,4 5.968,5 5.968,6 3.952,7 1,8 1,9 8.568,10 8.568,11 8.568,12 6.111,13 11.293,14 3.833,15 3.833,16 2.614,17 14.568,18 13.654,21 3.788,22 3.788,23 1,24 42.683,25 1,27 5.788,28 0.265,29 2.878,30 2.878,31 4.878,32 2.878,33 4.943,35 2.88,36 7.144,37 4.238,38 2.039,40 0.97,41 4.23,42 4.23,43 3,44 1.022,45 8.88,46 9.26,47 4.104,48 1.751,49 3.852,50 2.423,51 2.423,52 10.635,54 85.286,55 12.399,56 1.089,57 7.928,59 5.173,60 2,61 0.422,62 1.86,63 5,64 1.251,65 -0.232,66 5.464,67 -0.947,68 1.769,69 4.824}
{0 CHEMBL247951,1 1,2 1,3 3.236,4 6.378,5 6.378,6 3.902,7 1,8 1,9 9.913,10 9.913,11 9.913,12 6.112,13 11.377,14 4.022,15 4.022,16 2.645,17 16.576,18 22.58,20 1,21 3.787,22 3.787,23 1,24 42.683,25 1,27 5.787,28 0.292,29 3.064,30 3.064,31 5.064,32 3.064,33 5.094,35 2.814,36 7.14,37 4.245,38 2.03,40 1.123,41 4.486,42 4.486,43 2,44 1.085,45 8.878,46 9.324,47 4.104,48 1.594,49 4.035,50 2.423,51 2.423,52 10.635,53 1.507,54 113.715,55 12.399,56 0.715,57 7.928,58 3,59 5.422,60 2,61 0.935,62 1.981,63 5,64 1.345,65 -0.886,66 5.447,67 -0.979,68 1.571,69 5.801}
{0 CHEMBL247952,1 1,2 1,3 3.236,4 6.378,5 6.378,6 3.902,7 1,8 1,9 9.913,10 9.913,11 9.913,12 6.112,13 11.377,14 4.022,15 4.022,16 2.645,17 16.576,18 22.58,20 1,21 3.787,22 3.787,23 1,24 42.683,25 1,27 5.787,28 0.292,29 3.064,30 3.064,31 5.064,32 3.064,33 5.094,35 2.814,36 7.14,37 4.245,38 2.03,40 1.123,41 4.486,42 4.486,43 2,44 1.085,45 8.878,46 9.324,47 4.104,48 1.594,49 4.035,50 2.423,51 2.423,52 10.635,53 1.507,54 113.715,55 12.399,56 0.715,57 7.928,58 3,59 5.422,60 2,61 0.935,62 1.981,63 5,64 1.345,65 -0.886,66 5.447,67 -0.979,68 1.571,69 5.745}
{0 CHEMBL248112,1 1,2 1,3 4.439,4 7.183,5 7.183,6 6.214,7 1,8 1,9 11.963,10 11.963,11 11.963,12 10.1,13 11.122,14 4.277,15 4.277,16 6.163,17 19.27,18 7.721,21 4.482,22 4.482,23 1,24 42.683,25 1,27 6.482,28 0.249,29 3.398,30 3.398,31 5.398,32 3.398,33 5.329,35 3.999,36 11.441,37 7.424,38 2.042,40 1.032,41 4.567,42 4.567,43 1,44 0.822,45 14.115,46 9.099,47 5.506,48 1.532,49 4.078,50 3.825,51 3.825,52 16.795,54 85.286,55 19.477,56 0.333,57 12.775,59 5.415,60 2,61 0.816,62 1.819,63 5,64 0.912,65 -0.983,66 8.787,67 -1.083,68 1.414,69 5.854}
{0 CHEMBL248113,1 1,2 1,3 3.072,4 5.968,5 5.968,6 3.952,7 1,8 1,9 8.443,10 8.443,11 8.443,12 6.111,13 11.194,14 3.793,15 3.793,16 2.622,17 14.443,18 13.154,21 3.788,22 3.788,23 1,24 42.683,25 1,27 5.788,28 0.25,29 2.827,30 2.827,31 4.827,32 2.827,33 4.846,35 2.88,36 7.144,37 4.238,38 2.039,40 0.963,41 4.214,42 4.214,43 3,44 1.039,45 8.88,46 9.179,47 4.104,48 1.619,49 3.852,50 2.423,51 2.423,52 10.635,54 85.286,55 12.399,56 0.848,57 7.928,59 5.062,60 2,61 0.281,62 1.819,63 5,64 1.312,65 -0.835,66 5.464,67 -0.955,68 1.644,69 5.102}
{0 CHEMBL248118,1 1,2 1,3 3.237,4 7.224,5 7.224,6 3.879,7 1,8 1,9 12.054,10 12.054,11 12.054,12 6.112,13 11.442,14 4.305,15 4.305,16 2.69,17 18.943,18 24.795,20 1,21 4.099,22 4.099,23 1,24 42.683,25 1,27 6.099,28 0.244,29 3.352,30 3.352,31 5.352,32 3.352,33 5.373,35 2.721,36 7.139,37 4.245,38 2.032,40 1.552,41 4.486,42 4.486,43 2,44 1.186,45 8.878,46 9.372,47 4.104,48 1.579,49 4.05,50 2.423,51 2.423,52 10.635,53 1.52,54 123.191,55 12.399,56 0.712,57 7.928,58 3.2,59 5.422,60 2,61 0.89,62 1.993,63 4,64 1.295,66 5.444,67 -1.024,68 1.556,69 5.854}
{0 CHEMBL248318,1 1,2 1,3 4.271,4 6.399,5 6.399,6 5.477,7 1,8 1,9 9.967,10 9.967,11 9.967,12 8.509,13 11.182,14 3.919,15 3.919,16 5.875,17 15.967,18 9.988,21 4.271,22 4.271,23 1,24 42.683,25 1,27 6.271,28 0.223,29 3.111,30 3.111,31 5.111,32 3.111,33 4.992,35 3.811,36 9.63,37 6.292,38 2.038,40 0.453,41 4.235,42 4.235,43 3,44 0.983,45 11.803,46 9.15,47 4.7,48 1.624,49 4.078,50 3.02,51 3.02,52 13.992,54 85.286,55 16.19,56 0.765,57 10.701,59 5.101,60 2,61 0.969,62 1.818,63 5,64 0.986,65 -0.967,66 7.496,67 -1.067,68 1.613,69 5.398}
{0 CHEMBL248324,1 1,2 1,3 3.236,4 6.378,5 6.378,6 3.879,7 1,8 1,9 9.913,10 9.913,11 9.913,12 6.112,13 11.12,14 4.022,15 4.022,16 2.674,17 16.576,18 24.774,20 1,21 3.774,22 3.774,23 1,24 42.683,25 1,27 5.774,28 0.284,29 3.064,30 3.064,31 5.064,32 3.064,33 5.089,35 2.721,36 7.139,37 4.245,38 2.03,40 1.154,41 4.486,42 4.486,43 2,44 1.115,45 8.878,46 9.113,47 4.104,48 1.578,49 3.897,50 2.423,51 2.423,52 10.635,53 1.524,54 123.191,55 12.399,56 0.711,57 7.928,58 3.4,59 5.421,60 2,61 0.922,62 1.993,63 4,64 1.288,65 -0.927,66 5.444,67 -1.007,68 1.555,69 5.569}
{0 CHEMBL248325,1 1,2 1,3 3.236,4 6.378,5 6.378,6 3.879,7 1,8 1,9 9.913,10 9.913,11 9.913,12 6.112,13 11.351,14 4.022,15 4.022,16 2.639,17 16.576,18 24.862,20 1,21 3.787,22 3.787,23 1,24 42.683,25 1,27 5.787,28 0.276,29 3.064,30 3.064,31 5.064,32 3.064,33 5.09,35 2.721,36 7.139,37 4.245,38 2.031,40 1.121,41 4.486,42 4.486,43 2,44 1.098,45 8.878,46 9.304,47 4.104,48 1.58,49 3.897,50 2.423,51 2.423,52 10.635,53 1.528,54 123.191,55 12.399,56 0.715,57 7.928,58 3.2,59 5.421,60 2,61 0.915,62 1.993,63 4,64 1.295,65 -0.876,66 5.444,67 -0.973,68 1.559,69 5.699}
{0 CHEMBL248326,1 1,2 1,3 3.194,4 6.371,5 6.371,6 3.869,7 1,8 1,9 9.879,10 9.879,11 9.879,12 6.112,13 11.091,14 4.015,15 4.015,16 2.662,17 16.483,18 24.986,20 2,21 3.774,22 3.774,23 1,24 42.683,25 1,27 5.774,28 0.276,29 3.056,30 3.056,31 5.056,32 3.056,33 5.082,35 2.684,36 7.139,37 4.243,38 2.045,40 1.142,41 4.484,42 4.484,44 1.102,45 8.878,46 9.091,47 4.104,48 1.62,49 3.897,50 2.423,51 2.423,52 10.635,53 1.571,54 123.191,55 12.399,56 0.863,57 7.928,58 3.2,59 5.426,60 2,61 0.855,62 1.993,63 4,64 1.295,65 -0.906,66 5.442,67 -0.995,68 1.63,69 5.638}
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{0 CHEMBL248527,1 1,2 1,3 3.25,4 6.39,5 6.39,6 3.879,7 1,8 1,9 9.958,10 9.958,11 9.958,12 6.112,13 11.349,14 4.04,15 4.04,16 2.67,17 16.637,18 21.093,20 1,21 3.787,22 3.787,23 1,24 42.683,25 1,27 5.787,28 0.301,29 3.08,30 3.08,31 5.08,32 3.08,33 5.108,35 2.721,36 7.139,37 4.245,38 2.031,40 0.931,41 4.508,42 4.508,43 2,44 0.989,45 8.878,46 9.297,47 4.104,48 1.58,49 3.898,50 2.423,51 2.423,52 10.635,53 0.936,54 113.715,55 12.399,56 0.715,57 7.928,58 3.2,59 5.444,60 2,61 1.087,62 1.96,63 5,64 1.176,65 -0.913,66 5.444,67 -1.003,68 1.559,69 5.721}
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{0 CHEMBL250673,1 1,2 1,3 4.46,4 7.111,5 7.111,6 6.054,7 1,8 1,9 11.657,10 11.657,11 11.657,12 9.426,13 10.809,14 4.171,15 4.171,16 5.66,17 18.533,18 13.727,21 4.557,22 4.557,23 1,24 42.683,25 1,27 6.557,28 0.26,29 3.313,30 3.313,31 5.313,32 3.313,33 5.302,35 3.972,36 10.979,37 6.772,38 2.018,40 0.804,41 4.447,42 4.447,44 0.828,45 13.564,46 8.853,47 6.775,48 1.522,49 4.237,50 3.825,51 3.825,52 16.188,54 85.286,55 18.836,56 0.701,57 12.09,58 3.1,59 5.447,60 3,61 0.368,62 1.952,63 8,64 0.953,66 8.457,67 -1.054,68 1.528,69 7.301}
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{0 CHEMBL253520,3 4.46,4 8.099,5 8.099,6 7.062,9 14.385,10 14.385,11 14.385,12 11.964,13 34.662,14 4.507,15 4.507,16 6.654,17 22.5,18 10.294,20 2,21 5.418,22 5.418,24 34.416,27 7.418,28 0.249,29 3.683,30 3.683,31 5.683,32 3.683,33 5.63,35 4.168,36 13.645,37 8.626,38 2.053,40 0.853,41 4.991,42 4.991,44 0.852,45 17.012,47 7.91,48 1.458,49 4.405,50 5.465,51 5.465,52 20.395,54 98.022,55 23.784,56 0.5,57 15.324,58 5.8,59 5.886,61 0.861,62 1.752,63 7,64 0.93,66 10.31,67 -0.458,68 1.408,69 5}
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{0 CHEMBL255392,1 1,2 1,3 3.563,4 6.185,5 6.185,6 3.728,7 1,8 1,9 9.218,10 9.218,11 9.218,12 5.889,13 23.555,14 3.921,15 3.921,16 2.461,17 15.516,18 12.959,20 1,21 3.729,22 3.729,23 1,24 60.694,25 1,26 1,27 5.729,28 0.327,29 2.938,30 2.938,31 4.938,32 2.938,33 4.928,35 2.626,36 6.853,37 4.112,38 2.071,40 1.316,41 4.281,42 4.281,44 1.06,45 8.527,46 9.245,47 3.925,48 1.452,49 3.897,50 2.341,51 2.341,52 10.216,54 66.334,55 11.912,56 0.59,57 7.625,58 2,59 5.163,60 2,61 1.272,62 1.9,63 5,64 1.202,65 -0.418,66 5.223,67 -0.952,68 1.461,69 5.42}
{0 CHEMBL255426,1 1,2 1,3 3.729,4 7.679,5 7.679,6 3.728,7 1,8 1,9 14.234,10 14.234,11 14.234,12 5.889,13 24.796,14 4.563,15 4.563,16 2.439,17 21.767,18 14.331,20 5,21 3.735,22 3.735,23 1,24 60.694,25 1,26 1,27 5.735,28 0.286,29 3.563,30 3.563,31 5.563,32 3.563,33 5.613,34 4,35 2.626,36 6.853,37 4.112,38 2.25,40 1.025,41 4.632,42 4.632,44 1.112,45 8.527,46 9.532,47 3.925,48 1.664,49 4.124,50 2.341,51 2.341,52 10.216,54 66.334,55 11.912,56 1.008,57 7.625,58 1.1,59 5.632,60 2,61 1.838,62 2.015,63 5,64 1.195,65 2.277,66 5.223,67 -0.862,68 1.7,69 6.092}
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{0 CHEMBL25710,1 1,2 1,3 3.65,4 6.717,5 6.717,6 5.299,7 1,8 2,9 10.79,10 10.79,11 10.79,12 6.05,13 22.778,14 4.134,15 4.134,16 2.552,17 18.149,18 8.694,20 1,21 4.441,22 4.441,23 2,24 85.367,25 1,26 1,27 6.441,28 0.306,29 3.151,30 3.151,31 5.151,32 3.151,33 5.258,34 1,35 3.485,36 9.444,37 4.213,38 2.044,40 0.977,41 4.509,42 4.509,44 1.007,45 11.574,46 19.357,47 5.9,48 1.58,49 3.882,50 2.95,51 2.95,52 13.716,54 47.381,55 15.866,56 0.694,57 7.838,59 5.431,60 1,61 0.802,62 1.88,63 7,64 1.073,66 7.339,67 -0.969,68 1.552,69 7.699}
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{0 CHEMBL258766,1 1,2 1,3 4.1,4 7.236,5 7.236,6 5.616,7 1,8 1,9 12.156,10 12.156,11 12.156,12 9.425,13 11.215,14 4.312,15 4.312,16 6.029,17 19.611,18 7.37,21 4.474,22 4.474,23 1,24 42.683,25 1,27 6.474,28 0.308,29 3.375,30 3.375,31 5.375,32 3.375,33 5.418,35 3.547,36 10.761,37 6.771,38 2.01,40 0.988,41 4.554,42 4.554,44 0.412,45 13.427,46 9.175,47 5.506,48 1.389,49 4.254,50 3.825,51 3.825,52 16.104,54 56.857,55 18.785,56 0.469,57 12.09,58 4,59 5.403,60 3,61 0.851,62 1.859,63 8,64 0.962,66 8.129,67 -1.1,68 1.403,69 8.523}
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{0 CHEMBL260839,1 1,2 1,3 3.165,4 7.228,5 7.228,6 3.909,7 1,8 1,9 12.079,10 12.079,11 12.079,12 6.111,13 11.241,14 4.312,15 4.312,16 2.687,17 19.079,18 11.471,21 4.1,22 4.1,23 1,24 42.683,25 1,27 6.1,28 0.322,29 3.36,30 3.36,31 5.36,32 3.36,33 5.418,35 2.699,36 7.143,37 4.238,38 2.061,40 1.532,41 4.462,42 4.462,44 0.734,45 8.879,46 9.21,47 4.104,48 1.42,49 4.176,50 2.423,51 2.423,52 10.635,54 56.857,55 12.399,56 0.624,57 7.928,58 3.8,59 5.311,60 3,61 0.593,62 1.859,63 8,64 1.237,66 5.457,67 -1.02,68 1.476,69 6.272}
{0 CHEMBL260840,1 1,2 1,3 3.205,4 7.228,5 7.228,6 3.909,7 1,8 1,9 12.079,10 12.079,11 12.079,12 6.111,13 11.234,14 4.312,15 4.312,16 2.695,17 19.079,18 10.97,21 4.1,22 4.1,23 1,24 42.683,25 1,27 6.1,28 0.317,29 3.36,30 3.36,31 5.36,32 3.36,33 5.418,35 2.699,36 7.143,37 4.238,38 2.011,40 1.612,41 4.462,42 4.462,44 0.641,45 8.879,46 9.203,47 4.104,48 1.388,49 4.176,50 2.423,51 2.423,52 10.635,54 56.857,55 12.399,56 0.587,57 7.928,58 4,59 5.311,60 3,61 0.636,62 1.859,63 8,64 1.225,66 5.457,67 -1.029,68 1.438,69 6.83}
{0 CHEMBL261555,1 1,2 1,3 4.1,4 7.228,5 7.228,6 5.795,7 1,8 1,9 12.079,10 12.079,11 12.079,12 9.783,13 11.238,14 4.312,15 4.312,16 6.094,17 19.079,18 8.722,21 4.438,22 4.438,23 1,24 42.683,25 1,27 6.438,28 0.293,29 3.36,30 3.36,31 5.36,32 3.36,33 5.418,35 3.633,36 11.173,37 7.016,38 2.01,40 0.934,41 4.462,42 4.462,44 0.593,45 13.95,46 9.196,47 5.712,48 1.395,49 4.193,50 4.032,51 4.032,52 16.734,54 56.857,55 19.521,56 0.469,57 12.558,58 3.9,59 5.311,60 3,61 0.584,62 1.859,63 8,64 1.021,66 8.426,67 -1.085,68 1.413,69 7.886}
{0 CHEMBL262558,1 1,2 1,3 3.729,4 7.111,5 7.111,6 5.575,7 1,8 1,9 11.657,10 11.657,11 11.657,12 9.418,13 11.263,14 4.171,15 4.171,16 5.571,17 18.533,18 10.92,20 1,21 4.46,22 4.46,23 1,24 42.683,25 1,26 1,27 6.46,28 0.272,29 3.313,30 3.313,31 5.313,32 3.313,33 5.171,34 1,35 3.43,36 10.755,37 6.762,38 2.098,40 0.939,41 4.439,42 4.439,44 0.846,45 13.424,46 9.247,47 5.409,48 1.454,49 3.898,50 3.825,51 3.825,52 16.102,54 66.334,55 18.784,56 0.57,57 12.086,59 5.321,60 2,61 0.834,62 1.909,63 5,64 0.96,65 -0.423,66 8.114,67 -0.804,68 1.452,69 6.194}
{0 CHEMBL263029,1 1,2 1,3 3.358,4 7.224,5 7.224,6 3.882,7 1,8 1,9 12.052,10 12.052,11 12.052,12 6.111,13 11.207,14 4.304,15 4.304,16 2.686,17 19.596,18 21.057,21 4.099,22 4.099,23 1,24 42.683,25 1,27 6.099,28 0.259,29 3.352,30 3.352,31 5.352,32 3.352,33 5.395,35 2.719,36 7.139,37 4.238,38 2.071,40 1.533,41 4.692,42 4.692,44 1.056,45 8.878,46 9.182,47 4.104,48 1.728,49 4.137,50 2.423,51 2.423,52 10.635,53 1.791,54 104.239,55 12.399,56 0.967,57 7.928,58 1.4,59 5.626,60 2,61 0.552,62 1.987,63 6,64 1.156,66 5.444,67 -1.019,68 1.763,69 6.764}
{0 CHEMBL264374,1 1,2 1,3 3.558,4 7.224,5 7.224,6 3.889,7 1,8 1,9 12.052,10 12.052,11 12.052,12 6.111,13 23.052,14 4.304,15 4.304,16 2.693,17 18.92,18 13.842,19 1,20 1,21 4.099,22 4.099,23 1,24 60.694,25 1,27 6.099,28 0.251,29 3.352,30 3.352,31 5.352,32 3.352,33 5.355,34 2,35 2.671,36 7.141,37 4.238,38 2.046,40 1.56,41 4.438,42 4.438,44 0.741,45 8.879,46 9.062,47 4.104,48 1.276,49 3.999,50 2.423,51 2.423,52 10.635,54 75.81,55 12.399,56 0.302,57 7.928,58 2.2,59 5.337,60 2,61 0.819,62 1.869,63 4,64 1.167,66 5.449,67 -1.179,68 1.289,69 4.611}
{0 CHEMBL264385,1 1,2 1,3 3.239,4 7.429,5 7.429,6 3.859,7 1,8 1,9 12.986,10 12.986,11 12.986,12 6.111,13 11.94,14 4.386,15 4.386,16 2.674,17 19.931,18 16.512,20 1,21 4.134,22 4.134,23 1,24 42.683,25 1,27 6.134,28 0.249,29 3.429,30 3.429,31 5.429,32 3.429,33 5.459,35 2.617,36 7.139,37 4.238,38 2.096,40 1.422,41 4.512,42 4.512,43 1,44 1.009,45 8.878,46 9.778,47 4.104,48 1.61,49 4.009,50 2.423,51 2.423,52 10.635,54 85.286,55 12.399,56 0.846,57 7.928,58 1.5,59 5.512,60 4,61 0.616,62 1.991,63 6,64 1.234,65 0.456,66 5.441,67 -1.007,68 1.608,69 5.014}
{0 CHEMBL265364,1 1,2 1,3 3.256,4 6.559,5 6.559,6 3.839,7 1,8 1,9 10.411,10 10.411,11 10.411,12 6.111,13 11.373,14 4.099,15 4.099,16 2.627,17 17.272,18 14.673,20 1,21 3.788,22 3.788,23 1,24 42.683,25 1,27 5.788,28 0.395,29 3.132,30 3.132,31 5.132,32 3.132,33 5.151,35 2.546,36 7.138,37 4.238,38 2.059,40 1.138,41 4.563,42 4.563,43 1,44 0.983,45 8.878,46 9.323,47 4.104,48 1.601,49 4.144,50 2.423,51 2.423,52 10.635,53 2.025,54 75.381,55 12.399,56 0.728,57 7.928,58 3.5,59 5.407,60 2,61 0.645,62 1.84,63 7,64 1.145,65 -0.856,66 5.437,67 -0.96,68 1.613,69 5.62}
{0 CHEMBL265421,1 1,2 1,3 4.437,4 7.111,5 7.111,6 6.216,7 1,8 1,9 11.659,10 11.659,11 11.659,12 9.425,13 10.591,14 4.176,15 4.176,16 5.602,17 18.562,18 12.34,21 4.46,22 4.46,23 1,24 42.683,25 1,27 6.46,28 0.287,29 3.315,30 3.315,31 5.315,32 3.315,33 5.316,35 3.979,36 11.204,37 6.771,38 2.013,40 0.852,41 4.456,42 4.456,44 0.683,45 13.774,46 8.68,47 7.098,48 1.392,49 4.234,50 3.825,51 3.825,52 16.371,54 75.81,55 18.987,56 0.476,57 12.09,58 2.2,59 5.3,60 3,61 0.948,62 1.623,63 7,64 0.843,66 8.673,67 -1.031,68 1.407,69 8.301}
{0 CHEMBL265868,1 1,2 1,3 3.645,4 7.111,5 7.111,6 5.601,7 1,8 1,9 11.659,10 11.659,11 11.659,12 9.423,13 10.913,14 4.176,15 4.176,16 5.625,17 18.576,18 11.492,21 4.46,22 4.46,23 1,24 42.683,25 1,26 1,27 6.46,28 0.347,29 3.316,30 3.316,31 5.316,32 3.316,33 5.32,35 3.496,36 10.759,37 6.769,38 2.003,40 0.858,41 4.552,42 4.552,44 0.832,45 13.426,46 8.948,47 5.458,48 1.432,49 4.357,50 3.825,51 3.825,52 16.103,53 1.244,54 78.073,55 18.784,56 0.397,57 12.089,58 2.1,59 5.39,60 2,61 0.524,62 1.769,63 7,64 0.843,66 8.123,67 -0.937,68 1.37,69 6.614}
{0 CHEMBL267147,1 1,2 1,3 4.46,4 7.111,5 7.111,6 6.223,7 1,8 1,9 11.657,10 11.657,11 11.657,12 9.425,13 10.84,14 4.171,15 4.171,16 5.66,17 18.861,18 12.773,20 2,21 4.469,22 4.469,23 1,24 42.683,25 1,27 6.469,28 0.307,29 3.313,30 3.313,31 5.313,32 3.313,33 5.304,35 4.027,36 11.205,37 6.771,38 2.032,40 0.886,41 4.495,42 4.495,44 0.814,45 13.774,46 8.879,47 7.098,48 1.535,49 4.346,50 3.825,51 3.825,52 16.371,54 85.286,55 18.987,56 0.67,57 12.09,59 5.391,60 3,61 0.969,62 1.94,63 9,64 0.83,66 8.674,67 -1.043,68 1.487,69 5.583}
{0 CHEMBL270451,1 1,2 1,3 3.73,4 7.679,5 7.679,6 3.728,7 1,8 1,9 14.234,10 14.234,11 14.234,12 5.889,13 24.578,14 4.563,15 4.563,16 2.431,17 21.767,18 14.103,20 4,21 3.735,22 3.735,23 1,24 60.694,25 1,26 1,27 5.735,28 0.319,29 3.563,30 3.563,31 5.563,32 3.563,33 5.579,34 4,35 2.626,36 6.853,37 4.112,38 2.25,40 0.991,41 4.632,42 4.632,44 1.185,45 8.527,46 9.522,47 3.925,48 1.588,49 4.124,50 2.341,51 2.341,52 10.216,54 66.334,55 11.912,56 0.947,57 7.625,58 1.3,59 5.632,60 2,61 1.973,62 1.983,63 5,64 1.156,65 2.298,66 5.223,67 -0.867,68 1.581,69 5.854}
{0 CHEMBL270587,1 1,2 1,3 3.563,4 6.188,5 6.188,6 3.728,7 1,8 1,9 9.222,10 9.222,11 9.222,12 5.889,13 23.982,14 3.932,15 3.932,16 2.466,17 15.523,18 23.079,20 3,21 3.729,22 3.729,23 1,24 60.694,25 1,26 1,27 5.729,28 0.305,29 2.944,30 2.944,31 4.944,32 2.944,33 4.946,34 1,35 2.626,36 6.853,37 4.112,38 2.092,40 1.331,41 4.294,42 4.294,44 1.129,45 8.527,46 9.317,47 3.925,48 1.532,49 4.028,50 2.341,51 2.341,52 10.216,54 113.715,55 11.912,56 0.613,57 7.625,58 1.7,59 5.178,60 2,61 1.622,62 1.913,63 6,64 1.09,65 -0.432,66 5.223,67 -0.976,68 1.552,69 6.678}
{0 CHEMBL270664,1 1,2 1,3 3.729,4 7.679,5 7.679,6 3.728,7 1,8 1,9 14.234,10 14.234,11 14.234,12 5.889,13 24.496,14 4.563,15 4.563,16 2.446,17 21.767,18 14.146,20 4,21 3.735,22 3.735,23 1,24 60.694,25 1,26 1,27 5.735,28 0.319,29 3.563,30 3.563,31 5.563,32 3.563,33 5.584,34 3,35 2.626,36 6.853,37 4.112,38 2.25,40 1.001,41 4.632,42 4.632,44 1.083,45 8.527,46 9.429,47 3.925,48 1.603,49 4.124,50 2.341,51 2.341,52 10.216,54 66.334,55 11.912,56 0.947,57 7.625,58 1.3,59 5.632,60 2,61 1.978,62 1.981,63 5,64 1.156,65 2.283,66 5.223,67 -0.88,68 1.604,69 6.602}
{0 CHEMBL270801,1 1,2 1,3 3.563,4 6.188,5 6.188,6 3.728,7 1,8 1,9 9.222,10 9.222,11 9.222,12 5.889,13 24.032,14 3.932,15 3.932,16 2.454,17 15.523,18 13.643,20 3,21 3.729,22 3.729,23 1,24 60.694,25 1,26 1,27 5.729,28 0.305,29 2.944,30 2.944,31 4.944,32 2.944,33 4.946,34 1,35 2.626,36 6.853,37 4.112,38 2.138,40 1.183,41 4.283,42 4.283,44 1.134,45 8.527,46 9.328,47 3.925,48 1.532,49 3.916,50 2.341,51 2.341,52 10.216,54 66.334,55 11.912,56 0.805,57 7.625,58 1.6,59 5.283,60 2,61 1.824,62 1.951,63 5,64 1.202,65 0.203,66 5.223,67 -0.913,68 1.552,69 6.523}
{0 CHEMBL270960,1 1,2 1,3 3.147,4 7.402,5 7.402,6 4.18,7 1,8 1,9 12.787,10 12.787,11 12.787,12 6.659,13 11.087,14 4.398,15 4.398,16 2.749,17 19.467,18 8.16,20 1,21 4.239,22 4.239,23 1,24 42.683,25 1,27 6.239,28 0.279,29 3.406,30 3.406,31 5.406,32 3.406,33 5.467,34 1,35 2.794,36 7.72,37 4.66,38 2.042,40 1.138,41 4.472,42 4.472,44 0.927,45 9.608,46 9.082,47 4.313,48 1.482,49 3.978,50 2.609,51 2.609,52 11.515,54 37.905,55 13.429,56 0.65,57 8.609,58 1.9,59 5.472,60 1,61 0.827,62 1.865,63 5,64 1.351,65 0.235,66 5.882,67 -1.077,68 1.505,69 4}
{0 CHEMBL271877,1 1,2 1,3 3.58,4 7.111,5 7.111,6 3.728,7 1,8 1,9 11.658,10 11.658,11 11.658,12 5.889,13 23.866,14 4.315,15 4.315,16 2.461,17 18.551,18 13.238,20 4,21 3.729,22 3.729,23 1,24 60.694,25 1,26 1,27 5.729,28 0.291,29 3.315,30 3.315,31 5.315,32 3.315,33 5.327,35 2.626,36 6.853,37 4.112,38 2.093,40 1.144,41 4.448,42 4.448,44 1.3,45 8.527,46 9.295,47 3.925,48 1.532,49 4.081,50 2.341,51 2.341,52 10.216,54 66.334,55 11.912,56 0.611,57 7.625,58 1.7,59 5.332,60 2,61 2.118,62 1.903,63 5,64 1.238,65 -0.424,66 5.223,67 -0.952,68 1.551,69 6.143}
{0 CHEMBL272137,1 1,2 1,3 3.729,4 7.679,5 7.679,6 3.728,7 1,8 1,9 14.234,10 14.234,11 14.234,12 5.889,13 24.591,14 4.563,15 4.563,16 2.444,17 21.767,18 14.212,20 5,21 3.735,22 3.735,23 1,24 60.694,25 1,26 1,27 5.735,28 0.31,29 3.563,30 3.563,31 5.563,32 3.563,33 5.593,34 3,35 2.626,36 6.853,37 4.112,38 2.25,40 1.027,41 4.632,42 4.632,44 1.165,45 8.527,46 9.461,47 3.925,48 1.605,49 4.124,50 2.341,51 2.341,52 10.216,54 66.334,55 11.912,56 0.947,57 7.625,58 1.3,59 5.632,60 2,61 1.859,62 1.981,63 5,64 1.167,65 2.281,66 5.223,67 -0.874,68 1.604,69 6.06}
{0 CHEMBL278590,1 1,2 1,3 3.733,4 7.224,5 7.224,6 5.691,7 1,8 1,9 12.052,10 12.052,11 12.052,12 6.98,13 24.202,14 4.281,15 4.281,16 2.542,17 18.92,18 10.696,20 4,21 4.944,22 4.944,23 1,24 60.694,25 1,27 6.944,28 0.241,29 3.352,30 3.352,31 5.352,32 3.352,33 5.393,34 2,35 3.595,36 10.431,37 4.606,38 2.053,39 1,40 1.081,41 4.438,42 4.438,44 0.9,45 12.853,46 9.303,47 6.739,48 1.624,49 4.01,50 3.412,51 3.412,52 15.283,54 66.334,55 17.715,56 0.894,57 9.519,58 2.9,59 5.385,60 2,61 0.792,62 1.95,63 5,64 1.122,66 8.028,67 -1.295,68 1.651,69 5.777}
{0 CHEMBL278994,1 1,2 1,3 3.635,4 6.884,5 6.884,6 5.272,7 1,8 1,9 11.523,10 11.523,11 11.523,12 6.05,13 10.861,14 4.255,15 4.255,16 2.528,17 19.067,18 21.694,20 1,21 4.441,22 4.441,23 1,24 42.683,25 1,26 1,27 6.441,28 0.296,29 3.26,30 3.26,31 5.26,32 3.26,33 5.38,34 1,35 3.38,36 9.443,37 4.213,38 2.074,40 0.64,41 4.692,42 4.692,44 1.093,45 11.573,46 8.918,47 5.9,48 1.581,49 4.137,50 2.95,51 2.95,52 13.716,53 2.013,54 106.502,55 15.866,56 0.695,57 7.838,59 5.614,60 1,61 0.431,62 1.981,63 7,64 0.989,66 7.333,67 -0.861,68 1.553,69 8.162}
{0 CHEMBL279053,1 1,2 1,3 3.635,4 6.816,5 6.816,6 5.272,7 1,8 1,9 11.274,10 11.274,11 11.274,12 6.05,13 10.808,14 4.208,15 4.208,16 2.527,17 18.676,18 9.478,20 1,21 4.441,22 4.441,23 1,24 42.683,25 1,26 1,27 6.441,28 0.304,29 3.219,30 3.219,31 5.219,32 3.219,33 5.333,34 1,35 3.38,36 9.443,37 4.213,38 2.055,40 0.713,41 4.657,42 4.657,44 1.018,45 11.573,46 8.875,47 5.9,48 1.581,49 3.96,50 2.95,51 2.95,52 13.716,53 1.915,54 47.381,55 15.866,56 0.694,57 7.838,58 1.8,59 5.58,60 1,61 0.455,62 1.886,63 6,64 1.067,66 7.333,67 -0.861,68 1.552,69 7.94}
{0 CHEMBL279211,1 1,2 1,3 3.733,4 7.224,5 7.224,6 5.691,7 1,8 1,9 12.052,10 12.052,11 12.052,12 6.98,13 25.076,14 4.281,15 4.281,16 2.507,17 18.92,18 30.973,20 5,21 4.944,22 4.944,23 1,24 60.694,25 1,27 6.944,28 0.286,29 3.352,30 3.352,31 5.352,32 3.352,33 5.393,34 2,35 3.595,36 10.431,37 4.606,38 2.106,39 1,40 1.43,41 4.438,42 4.438,44 1.04,45 12.853,46 9.44,47 6.739,48 1.763,49 4.244,50 3.412,51 3.412,52 15.283,54 142.144,55 17.715,56 0.91,57 9.519,58 2.4,59 5.357,60 2,61 0.877,62 2.033,63 9,64 1.114,66 8.028,67 -0.954,68 1.762,69 5}
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{0 CHEMBL280897,1 1,2 1,3 3.733,4 7.224,5 7.224,6 5.691,7 1,8 1,9 12.052,10 12.052,11 12.052,12 6.98,13 24.781,14 4.281,15 4.281,16 2.495,17 18.92,18 27.03,20 5,21 4.944,22 4.944,23 1,24 60.694,25 1,27 6.944,28 0.23,29 3.352,30 3.352,31 5.352,32 3.352,33 5.393,34 2,35 3.595,36 10.431,37 4.606,38 2.107,39 1,40 1.466,41 4.438,42 4.438,44 1.043,45 12.853,46 9.406,47 6.739,48 1.762,49 4.024,50 3.412,51 3.412,52 15.283,54 123.191,55 17.715,56 0.912,57 9.519,58 2.5,59 5.438,60 2,61 0.62,62 2.033,63 5,64 1.163,65 0.271,66 8.028,67 -0.802,68 1.762,69 5.301}
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{0 CHEMBL288341,1 1,2 1,3 3.6,4 7.111,5 7.111,6 5.584,7 1,8 1,9 11.659,10 11.659,11 11.659,12 9.418,13 10.616,14 4.176,15 4.176,16 5.612,17 18.576,18 12.15,21 4.46,22 4.46,23 1,24 42.683,25 1,26 1,27 6.46,28 0.294,29 3.316,30 3.316,31 5.316,32 3.316,33 5.316,35 3.467,36 10.755,37 6.762,38 2.041,40 0.943,41 4.47,42 4.47,44 0.839,45 13.424,46 8.72,47 5.409,48 1.388,49 4.042,50 3.825,51 3.825,52 16.102,54 75.81,55 18.784,56 0.397,57 12.086,58 2.1,59 5.317,60 2,61 0.518,62 1.773,63 7,64 0.869,66 8.115,67 -0.838,68 1.347,69 7.285}
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{0 CHEMBL295416,1 1,2 1,3 3.585,4 6.352,5 6.352,6 5.652,7 1,8 1,9 9.501,10 9.501,11 9.501,12 6.946,13 10.591,14 3.96,15 3.96,16 2.59,17 16.243,18 7.533,19 1,20 2,21 4.464,22 4.464,23 1,24 60.694,25 1,27 6.464,28 0.336,29 2.983,30 2.983,31 4.983,32 2.983,33 5.069,34 2,35 3.444,36 10.428,37 4.491,38 2.06,40 0.424,41 4.343,42 4.343,44 0.942,45 12.853,46 8.691,47 6.739,48 1.143,49 3.571,50 3.412,51 3.412,52 15.283,54 37.905,55 17.715,56 0.129,57 9.511,58 8.6,59 5.163,61 1.433,62 1.563,63 6,64 1.203,66 8.019,67 -0.924,68 1.138,69 4.456}
{0 CHEMBL298187,3 3.786,4 6.509,5 6.509,6 6.722,9 10.193,10 10.193,11 10.193,12 9.91,13 23.258,14 4.035,15 4.035,16 2.017,17 17.02,18 20.722,19 1,21 4.875,22 4.875,24 18.011,27 6.875,28 0.292,29 3.088,30 3.088,31 5.088,32 3.088,33 5.143,34 1,35 4.03,36 12.677,37 6.639,38 2.048,39 1,40 0.729,41 4.349,42 4.349,43 1,44 0.936,45 15.686,47 8.891,48 1.622,49 4.063,50 4.628,51 4.628,52 18.702,54 104.239,55 21.724,56 0.647,57 13.141,58 1.6,59 5.275,61 0.462,62 1.97,63 7,64 1.108,65 -0.579,66 9.679,67 -0.68,68 1.562,69 5.523}
{0 CHEMBL299958,3 3.786,4 6.509,5 6.509,6 6.722,9 10.193,10 10.193,11 10.193,12 9.91,13 23.118,14 4.039,15 4.039,16 2.24,17 17.02,18 19.71,19 1,21 4.875,22 4.875,24 18.011,27 6.875,28 0.3,29 3.088,30 3.088,31 5.088,32 3.088,33 5.147,34 1,35 4.03,36 12.677,37 6.639,38 2.048,39 1,40 0.796,41 4.349,42 4.349,43 1,44 0.88,45 15.686,47 8.891,48 1.626,49 4.063,50 4.628,51 4.628,52 18.702,54 104.239,55 21.724,56 0.639,57 13.141,58 1.6,59 5.275,61 0.403,62 1.977,63 7,64 1.021,65 -0.735,66 9.679,67 -0.867,68 1.564,69 5.611}
{0 CHEMBL300026,3 3.783,4 6.491,5 6.491,6 6.722,9 10.118,10 10.118,11 10.118,12 9.91,13 23.136,14 4.011,15 4.011,16 1.988,17 16.858,18 18.808,19 1,21 4.875,22 4.875,24 18.011,27 6.875,28 0.3,29 3.061,30 3.061,31 5.061,32 3.061,33 5.12,34 1,35 4.03,36 12.677,37 6.639,38 2.045,39 1,40 0.742,41 4.283,42 4.283,43 1,44 0.864,45 15.686,47 8.891,48 1.626,49 4.016,50 4.628,51 4.628,52 18.702,54 104.239,55 21.724,56 0.657,57 13.141,58 1.6,59 5.208,61 0.673,62 1.956,63 7,64 1.021,65 -0.505,66 9.679,67 -0.61,68 1.566,69 4.301}
{0 CHEMBL300629,3 3.783,4 6.491,5 6.491,6 6.722,9 10.118,10 10.118,11 10.118,12 9.91,13 23.138,14 4.011,15 4.011,16 1.976,17 16.858,18 22.929,19 1,21 4.875,22 4.875,24 18.011,27 6.875,28 0.274,29 3.061,30 3.061,31 5.061,32 3.061,33 5.119,34 1,35 4.03,36 12.677,37 6.639,38 2.048,39 1,40 0.706,41 4.283,42 4.283,43 1,44 0.921,45 15.686,47 8.891,48 1.626,49 3.921,50 4.628,51 4.628,52 18.702,54 113.715,55 21.724,56 0.657,57 13.141,58 1.6,59 5.208,61 0.475,62 1.984,63 6,64 1.109,65 -0.489,66 9.679,67 -0.585,68 1.566,69 5.262}
{0 CHEMBL301156,3 3.783,4 6.491,5 6.491,6 6.722,9 10.118,10 10.118,11 10.118,12 9.91,13 23.138,14 4.011,15 4.011,16 1.971,17 16.858,18 23.062,19 1,21 4.875,22 4.875,24 18.011,27 6.875,28 0.266,29 3.061,30 3.061,31 5.061,32 3.061,33 5.115,34 1,35 4.03,36 12.677,37 6.639,38 2.049,39 1,40 0.711,41 4.283,42 4.283,43 1,44 0.997,45 15.686,47 8.891,48 1.631,49 3.921,50 4.628,51 4.628,52 18.702,54 113.715,55 21.724,56 0.73,57 13.141,58 1.6,59 5.219,61 0.413,62 1.985,63 6,64 1.121,65 -0.481,66 9.679,67 -0.574,68 1.573,69 5.262}
{0 CHEMBL305723,1 1,2 1,3 3.051,4 6.202,5 6.202,6 3.859,7 1,8 1,9 9.307,10 9.307,11 9.307,12 6.111,13 11.304,14 3.914,15 3.914,16 2.651,17 15.665,18 13.122,21 3.794,22 3.794,23 1,24 42.683,25 1,27 5.794,28 0.327,29 2.943,30 2.943,31 4.943,32 2.943,33 4.984,35 2.617,36 7.139,37 4.238,38 2.036,40 0.931,41 4.318,42 4.318,43 1,44 0.974,45 8.878,46 9.263,47 4.104,48 1.428,49 3.881,50 2.423,51 2.423,52 10.635,54 75.81,55 12.399,56 0.469,57 7.928,58 3.8,59 5.202,60 2,61 0.622,62 1.893,63 6,64 1.118,65 -1.053,66 5.441,67 -0.984,68 1.342,69 5.398}
{0 CHEMBL307728,1 1,2 1,3 4.439,4 7.186,5 7.186,6 6.214,7 1,8 1,9 11.983,10 11.983,11 11.983,12 10.1,13 11.322,14 4.29,15 4.29,16 6.264,17 19.29,18 7.316,21 4.482,22 4.482,23 1,24 42.683,25 1,27 6.482,28 0.319,29 3.405,30 3.405,31 5.405,32 3.405,33 5.371,35 3.999,36 11.441,37 7.424,38 2.035,40 1.024,41 4.588,42 4.588,43 1,44 0.725,45 14.115,46 9.259,47 5.506,48 1.532,49 4.216,50 3.825,51 3.825,52 16.795,54 66.334,55 19.477,56 0.469,57 12.775,58 3.6,59 5.46,60 2,61 0.384,62 1.893,63 7,64 0.955,65 -1.298,66 8.787,67 -1.097,68 1.414,69 6.201}
{0 CHEMBL309778,1 1,2 1,3 3.168,4 6.228,5 6.228,6 3.909,7 1,8 1,9 9.414,10 9.414,11 9.414,12 6.111,13 11.293,14 3.945,15 3.945,16 2.685,17 15.816,18 9.791,21 3.794,22 3.794,23 1,24 42.683,25 1,27 5.794,28 0.369,29 2.976,30 2.976,31 4.976,32 2.976,33 5.026,35 2.699,36 7.143,37 4.238,38 2.035,40 0.734,41 4.353,42 4.353,43 1,44 0.789,45 8.879,46 9.249,47 4.104,48 1.429,49 3.967,50 2.423,51 2.423,52 10.635,54 66.334,55 12.399,56 0.469,57 7.928,58 4,59 5.225,60 2,61 0.652,62 1.892,63 7,64 1.035,65 -1.125,66 5.457,67 -1.018,68 1.333,69 6.796}
{0 CHEMBL310426,1 1,2 1,3 3.061,4 6.185,5 6.185,6 3.909,7 1,8 1,9 9.237,10 9.237,11 9.237,12 6.111,13 11.314,14 3.905,15 3.905,16 2.638,17 15.514,18 15.039,21 3.794,22 3.794,23 1,24 42.683,25 1,27 5.794,28 0.334,29 2.932,30 2.932,31 4.932,32 2.932,33 4.986,35 2.699,36 7.143,37 4.238,38 2.04,40 0.972,41 4.307,42 4.307,43 1,44 0.97,45 8.879,46 9.274,47 4.104,48 1.524,49 3.889,50 2.423,51 2.423,52 10.635,54 75.81,55 12.399,56 0.629,57 7.928,58 3.8,59 5.179,60 2,61 0.41,62 1.893,63 6,64 1.232,65 -1.028,66 5.457,67 -0.972,68 1.511,69 5.602}
{0 CHEMBL310962,1 1,2 1,3 3.067,4 6.185,5 6.185,6 3.909,7 1,8 1,9 9.237,10 9.237,11 9.237,12 6.111,13 11.312,14 3.9,15 3.9,16 2.641,17 15.514,18 14.759,21 3.794,22 3.794,23 1,24 42.683,25 1,27 5.794,28 0.315,29 2.932,30 2.932,31 4.932,32 2.932,33 4.982,35 2.699,36 7.143,37 4.238,38 2.035,40 1.026,41 4.307,42 4.307,43 1,44 1.008,45 8.879,46 9.271,47 4.104,48 1.403,49 3.889,50 2.423,51 2.423,52 10.635,54 75.81,55 12.399,56 0.469,57 7.928,58 4,59 5.179,60 2,61 0.369,62 1.892,63 6,64 1.19,65 -1.033,66 5.457,67 -0.974,68 1.318,69 6.102}
{0 CHEMBL311429,1 1,2 1,3 3.058,4 6.181,5 6.181,6 3.909,7 1,8 1,9 9.223,10 9.223,11 9.223,12 6.111,13 11.298,14 3.891,15 3.891,16 2.639,17 15.49,18 16.706,21 3.794,22 3.794,23 1,24 42.683,25 1,27 5.794,28 0.308,29 2.921,30 2.921,31 4.921,32 2.921,33 4.972,35 2.699,36 7.143,37 4.238,38 2.035,40 1.008,41 4.293,42 4.293,43 1,44 1,45 8.879,46 9.26,47 4.104,48 1.426,49 3.873,50 2.423,51 2.423,52 10.635,54 85.286,55 12.399,56 0.469,57 7.928,58 4,59 5.165,60 2,61 0.365,62 1.893,63 5,64 1.22,65 -1.026,66 5.457,67 -0.972,68 1.346,69 5}
{0 CHEMBL312791,1 1,2 1,3 3.794,4 7.111,5 7.111,6 5.616,7 1,8 1,9 11.659,10 11.659,11 11.659,12 9.425,13 11.308,14 4.176,15 4.176,16 5.669,17 18.562,18 11.232,21 4.46,22 4.46,23 1,24 42.683,25 1,27 6.46,28 0.314,29 3.315,30 3.315,31 5.315,32 3.315,33 5.257,35 3.547,36 10.761,37 6.771,38 2.035,40 0.979,41 4.456,42 4.456,43 1,44 0.663,45 13.427,46 9.259,47 5.506,48 1.536,49 4.081,50 3.825,51 3.825,52 16.104,54 75.81,55 18.785,56 0.469,57 12.09,58 3.8,59 5.328,60 2,61 0.466,62 1.892,63 6,64 1.006,65 -1.147,66 8.129,67 -1.028,68 1.431,69 6.301}
{0 CHEMBL314483,1 1,2 1,3 3.05,4 6.498,5 6.498,6 3.909,7 1,8 1,9 10.173,10 10.173,11 10.173,12 6.111,13 11.244,14 4.006,15 4.006,16 2.614,17 16.907,18 27.943,21 3.788,22 3.788,23 1,24 42.683,25 1,27 5.788,28 0.244,29 3.007,30 3.007,31 5.007,32 3.007,33 5.06,35 2.699,36 7.143,37 4.238,38 2.089,40 0.964,41 4.369,42 4.369,43 1,44 0.93,45 8.879,46 9.22,47 4.104,48 1.573,49 3.851,50 2.423,51 2.423,52 10.635,54 142.144,55 12.399,56 0.778,57 7.928,59 5.218,60 2,61 0.3,62 1.961,63 4,64 1.056,65 -0.83,66 5.457,67 0.172,68 1.58,69 5.244}
{0 CHEMBL315048,1 1,2 1,3 3.074,4 6.499,5 6.499,6 3.909,7 1,8 1,9 10.178,10 10.178,11 10.178,12 6.111,13 11.242,14 4.012,15 4.012,16 2.637,17 16.918,18 23.558,21 3.788,22 3.788,23 1,24 42.683,25 1,27 5.788,28 0.274,29 3.014,30 3.014,31 5.014,32 3.014,33 5.067,35 2.699,36 7.143,37 4.238,38 2.081,40 0.896,41 4.378,42 4.378,43 1,44 0.971,45 8.879,46 9.215,47 4.104,48 1.573,49 3.87,50 2.423,51 2.423,52 10.635,54 132.667,55 12.399,56 0.774,57 7.928,59 5.227,60 2,61 0.86,62 1.941,63 5,64 0.97,65 -0.858,66 5.457,67 -0.014,68 1.579,69 5.469}
{0 CHEMBL317424,1 1,2 1,3 4.442,4 7.278,5 7.278,6 6.26,7 1,8 1,9 12.364,10 12.364,11 12.364,12 10.105,13 24.571,14 4.321,15 4.321,16 6.369,17 19.93,18 11.981,20 2,21 4.489,22 4.489,23 1,24 42.683,25 1,27 6.489,28 0.267,29 3.431,30 3.431,31 5.431,32 3.431,33 5.396,35 4.123,36 11.445,37 7.439,38 2.061,40 1.03,41 4.61,42 4.61,43 1,44 0.826,45 14.116,46 9.303,47 5.506,48 1.591,49 4.322,50 3.825,51 3.825,52 16.795,54 94.762,55 19.477,56 0.786,57 12.777,58 1.4,59 5.552,60 2,61 0.853,62 1.917,63 8,64 0.966,66 8.801,67 -1.911,68 1.6,69 7.032}
{0 CHEMBL318351,1 1,2 1,3 3.606,4 6.47,5 6.47,6 3.753,7 1,8 1,9 10.031,10 10.031,11 10.031,12 5.889,13 24.16,14 4.02,15 4.02,16 2.522,17 16.652,18 18.066,20 1,21 3.729,22 3.729,23 1,24 60.694,25 1,26 1,27 5.729,28 0.326,29 3.031,30 3.031,31 5.031,32 3.031,33 5.078,34 2,35 2.728,36 6.854,37 4.112,38 2.06,40 1.165,41 4.382,42 4.382,44 1.028,45 8.527,46 9.309,47 3.925,48 1.532,49 3.952,50 2.341,51 2.341,52 10.216,54 104.239,55 11.912,56 0.655,57 7.625,58 1.7,59 5.266,60 2,61 0.702,62 1.946,63 7,64 1.047,65 -0.509,66 5.228,67 -1.171,68 1.552,69 5.717}
{0 CHEMBL318684,3 3.784,4 6.5,5 6.5,6 6.722,9 10.163,10 10.163,11 10.163,12 9.91,13 23.356,14 4.02,15 4.02,16 1.995,17 16.961,18 18.164,21 4.875,22 4.875,24 18.011,27 6.875,28 0.308,29 3.069,30 3.069,31 5.069,32 3.069,33 5.131,35 4.03,36 12.677,37 6.639,38 2.043,39 1,40 0.699,41 4.298,42 4.298,43 1,44 0.975,45 15.686,47 8.891,48 1.627,49 4.199,50 4.628,51 4.628,52 18.702,54 94.762,55 21.724,56 0.662,57 13.141,58 1.6,59 5.226,61 0.831,62 1.907,63 8,64 1.106,65 -0.537,66 9.679,67 -0.628,68 1.568,69 4.301}
{0 CHEMBL318696,1 1,2 1,3 4.442,4 7.278,5 7.278,6 6.265,7 1,8 1,9 12.363,10 12.363,11 12.363,12 10.1,13 34.276,14 4.32,15 4.32,16 6.307,17 19.922,18 13.611,20 2,21 4.489,22 4.489,23 1,24 42.683,25 1,27 6.489,28 0.239,29 3.43,30 3.43,31 5.43,32 3.43,33 5.392,35 4.16,36 11.443,37 7.424,38 2.065,40 0.954,41 4.609,42 4.609,43 1,44 0.842,45 14.115,46 9.316,47 5.506,48 1.638,49 4.321,50 3.825,51 3.825,52 16.795,54 104.239,55 19.477,56 0.925,57 12.775,58 2.6,59 5.561,60 2,61 0.826,62 1.996,63 7,64 1.005,66 8.798,67 -1.909,68 1.651,69 6.796}
{0 CHEMBL322690,1 1,2 1,3 3.792,4 7.224,5 7.224,6 4.287,7 1,8 1,9 12.054,10 12.054,11 12.054,12 6.36,13 25.307,14 4.305,15 4.305,16 2.718,17 19.579,18 19.275,20 2,21 4.099,22 4.099,23 1,24 42.683,25 1,27 6.099,28 0.31,29 3.352,30 3.352,31 5.352,32 3.352,33 5.383,35 3.07,36 7.392,37 4.554,38 2.061,40 1.267,41 4.583,42 4.583,43 3,44 0.994,45 9.064,46 9.424,47 4.104,48 1.583,49 4.217,50 2.423,51 2.423,52 10.769,54 94.762,55 12.496,56 0.825,57 8.118,58 4.1,59 5.525,60 2,61 0.841,62 1.915,63 9,64 1.233,65 0.28,66 5.781,67 -1.275,68 1.585,69 6}
{0 CHEMBL323008,1 1,2 1,3 3.218,4 6.257,5 6.257,6 3.905,7 1,8 1,9 9.469,10 9.469,11 9.469,12 6.111,13 11.117,14 3.955,15 3.955,16 2.587,17 15.924,18 21.341,21 3.796,22 3.796,23 1,24 42.683,25 1,27 5.796,28 0.273,29 2.996,30 2.996,31 4.996,32 2.996,33 5.054,35 2.812,36 7.14,37 4.238,38 2.056,40 1.117,41 4.304,42 4.304,44 1.073,45 8.878,46 9.121,47 4.104,48 1.707,49 3.921,50 2.423,51 2.423,52 10.635,54 104.239,55 12.399,56 0.929,57 7.928,59 5.249,60 2,61 0.388,62 1.985,63 7,64 1.177,65 -0.764,66 5.448,67 -0.92,68 1.712,69 4.301}
{0 CHEMBL324027,3 3.475,4 6.4,5 6.4,6 4.635,9 9.693,10 9.693,11 9.693,12 7.025,13 23.585,14 3.962,15 3.962,16 2.309,17 16.082,18 13.58,21 4.021,22 4.021,27 6.021,28 0.286,29 2.967,30 2.967,31 4.967,32 2.967,33 5.057,35 3.217,36 8.121,37 5.043,38 2.128,40 1.346,41 4.276,42 4.276,44 1.137,45 9.969,47 4.455,48 1.584,49 3.984,50 2.643,51 2.643,52 11.848,54 66.334,55 13.745,56 0.763,57 8.953,59 5.221,61 0.247,62 1.788,63 5,64 1.285,65 -0.975,66 6.324,67 -1.219,68 1.575,69 5.48}
{0 CHEMBL324449,1 1,2 1,3 3.219,4 7.422,5 7.422,6 3.905,7 1,8 1,9 12.922,10 12.922,11 12.922,12 6.111,13 11.52,14 4.393,15 4.393,16 2.617,17 19.932,18 21.285,19 1,20 1,21 4.131,22 4.131,23 1,24 42.683,25 1,27 6.131,28 0.242,29 3.438,30 3.438,31 5.438,32 3.438,33 5.5,34 1,35 2.812,36 7.14,37 4.238,38 2.064,40 1.491,41 4.537,42 4.537,43 1,44 0.996,45 8.878,46 9.444,47 4.104,48 1.704,49 4.172,50 2.423,51 2.423,52 10.635,54 104.239,55 12.399,56 0.944,57 7.928,59 5.481,60 1,61 0.717,62 1.985,63 7,64 1.177,66 5.448,67 -0.95,68 1.73,69 4.301}
{0 CHEMBL325723,1 1,2 1,3 4.46,4 7.111,5 7.111,6 6.242,7 1,8 1,9 11.657,10 11.657,11 11.657,12 9.472,13 24.015,14 4.171,15 4.171,16 5.667,17 18.533,18 9.398,20 1,21 4.536,22 4.536,23 1,24 60.694,25 1,27 6.536,28 0.287,29 3.313,30 3.313,31 5.313,32 3.313,33 5.202,34 1,35 4.009,36 11.286,37 6.794,38 2.044,40 1.017,41 4.439,42 4.439,44 0.758,45 13.867,46 9.33,47 7.152,48 1.492,49 3.925,50 3.825,51 3.825,52 16.465,54 66.334,55 19.078,56 0.568,57 12.148,58 1.9,59 5.324,60 2,61 0.497,62 1.783,63 5,64 0.948,65 -0.633,66 8.732,67 -1.394,68 1.498,69 5.523}
{0 CHEMBL325844,3 3.475,4 6.4,5 6.4,6 4.635,9 9.693,10 9.693,11 9.693,12 7.025,13 23.571,14 3.962,15 3.962,16 2.317,17 16.082,18 21.268,21 4.021,22 4.021,27 6.021,28 0.286,29 2.967,30 2.967,31 4.967,32 2.967,33 5.057,35 3.217,36 8.121,37 5.043,38 2.149,40 1.46,41 4.406,42 4.406,44 1.135,45 9.969,47 4.455,48 1.538,49 3.984,50 2.643,51 2.643,52 11.848,53 2.298,54 104.239,55 13.745,56 0.578,57 8.953,59 5.305,61 0.24,62 1.767,63 3,64 1.209,65 -0.984,66 6.324,67 -1.235,68 1.56,69 5.896}
{0 CHEMBL326273,1 1,2 1,3 3.219,4 6.259,5 6.259,6 3.905,7 1,8 1,9 9.479,10 9.479,11 9.479,12 6.111,13 11.199,14 3.956,15 3.956,16 2.601,17 15.897,18 21.271,19 1,20 1,21 3.797,22 3.797,23 1,24 42.683,25 1,27 5.797,28 0.281,29 2.998,30 2.998,31 4.998,32 2.998,33 5.061,34 1,35 2.812,36 7.14,37 4.238,38 2.056,40 1.09,41 4.305,42 4.305,43 1,44 1.014,45 8.878,46 9.185,47 4.104,48 1.684,49 3.921,50 2.423,51 2.423,52 10.635,54 104.239,55 12.399,56 0.923,57 7.928,59 5.249,60 1,61 0.716,62 1.985,63 7,64 1.166,65 -0.794,66 5.448,67 -0.934,68 1.692,69 6.77}
{0 CHEMBL326873,1 1,2 1,3 3.299,4 7.594,5 7.594,6 3.905,7 1,8 1,9 13.687,10 13.687,11 13.687,12 6.111,13 11.701,14 4.443,15 4.443,16 2.595,17 20.699,18 20.382,19 1,20 1,21 4.154,22 4.154,23 1,24 42.683,25 1,27 6.154,28 0.247,29 3.487,30 3.487,31 5.487,32 3.487,33 5.552,34 1,35 2.812,36 7.14,37 4.238,38 2.07,40 1.439,41 4.574,42 4.574,43 1,44 0.982,45 8.878,46 9.593,47 4.104,48 1.526,49 4.183,50 2.423,51 2.423,52 10.635,54 104.239,55 12.399,56 0.819,57 7.928,59 5.519,60 1,61 0.958,62 1.925,63 7,64 1.153,66 5.448,67 -0.928,68 1.562,69 4.824}
{0 CHEMBL327481,1 1,2 1,3 3.074,4 6.499,5 6.499,6 3.909,7 1,8 1,9 10.178,10 10.178,11 10.178,12 6.111,13 11.242,14 4.012,15 4.012,16 2.637,17 16.918,18 23.558,21 3.788,22 3.788,23 1,24 42.683,25 1,27 5.788,28 0.274,29 3.014,30 3.014,31 5.014,32 3.014,33 5.067,35 2.699,36 7.143,37 4.238,38 2.081,40 0.896,41 4.378,42 4.378,43 1,44 0.971,45 8.879,46 9.215,47 4.104,48 1.573,49 3.87,50 2.423,51 2.423,52 10.635,54 132.667,55 12.399,56 0.774,57 7.928,59 5.227,60 2,61 0.86,62 1.941,63 5,64 0.97,65 -0.858,66 5.457,67 -0.014,68 1.579,69 5.081}
{0 CHEMBL327767,3 3.784,4 6.5,5 6.5,6 6.722,9 10.163,10 10.163,11 10.163,12 9.91,13 23.411,14 4.02,15 4.02,16 1.985,17 16.961,18 21.61,21 4.875,22 4.875,24 18.011,27 6.875,28 0.299,29 3.069,30 3.069,31 5.069,32 3.069,33 5.131,35 4.03,36 12.677,37 6.639,38 2.076,39 1,40 0.621,41 4.298,42 4.298,43 1,44 0.946,45 15.686,47 8.891,48 1.709,49 4.05,50 4.628,51 4.628,52 18.702,54 104.239,55 21.724,56 0.944,57 13.141,58 1.4,59 5.226,61 0.938,62 2.004,63 7,64 1.153,65 0.102,66 9.679,67 -0.606,68 1.742,69 4.301}
{0 CHEMBL328099,1 1,2 1,3 3.08,4 6.501,5 6.501,6 3.952,7 1,8 1,9 10.186,10 10.186,11 10.186,12 6.111,13 11.301,14 4.021,15 4.021,16 2.628,17 16.936,18 23.187,21 3.788,22 3.788,23 1,24 42.683,25 1,27 5.788,28 0.281,29 3.024,30 3.024,31 5.024,32 3.024,33 5.078,35 2.88,36 7.144,37 4.238,38 2.074,40 0.979,41 4.389,42 4.389,43 1,44 0.962,45 8.88,46 9.265,47 4.104,48 1.59,49 3.964,50 2.423,51 2.423,52 10.635,54 123.191,55 12.399,56 0.778,57 7.928,59 5.238,60 2,61 0.423,62 1.933,63 6,64 1.184,65 -0.851,66 5.464,67 0.069,68 1.595,69 6.155}
{0 CHEMBL328455,1 1,2 1,3 3.075,4 6.506,5 6.506,6 3.909,7 1,8 1,9 10.2,10 10.2,11 10.2,12 6.111,13 11.425,14 4.044,15 4.044,16 2.622,17 16.98,18 45.505,21 3.788,22 3.788,23 1,24 42.683,25 1,27 5.788,28 0.27,29 3.045,30 3.045,31 5.045,32 3.045,33 5.101,35 2.699,36 7.143,37 4.238,38 2.124,40 0.934,41 4.413,42 4.413,43 1,44 0.837,45 8.879,46 9.366,47 4.104,48 1.791,49 4.135,50 2.423,51 2.423,52 10.635,54 217.954,55 12.399,56 0.911,57 7.928,59 5.261,60 2,61 0.293,62 2.034,63 8,64 0.963,65 -0.853,66 5.457,67 0.135,68 1.802,69 6.301}
{0 CHEMBL328615,3 3.784,4 6.5,5 6.5,6 6.722,9 10.163,10 10.163,11 10.163,12 9.91,13 23.366,14 4.02,15 4.02,16 1.99,17 16.961,18 18.764,21 4.875,22 4.875,24 18.011,27 6.875,28 0.312,29 3.069,30 3.069,31 5.069,32 3.069,33 5.131,35 4.03,36 12.677,37 6.639,38 2.047,39 1,40 0.757,41 4.298,42 4.298,43 1,44 1.016,45 15.686,47 8.891,48 1.627,49 4.199,50 4.628,51 4.628,52 18.702,54 94.762,55 21.724,56 0.662,57 13.141,58 1.6,59 5.226,61 0.792,62 1.977,63 8,64 1.12,65 -0.531,66 9.679,67 -0.617,68 1.568,69 4.301}
{0 CHEMBL330191,3 3.784,4 6.5,5 6.5,6 6.722,9 10.163,10 10.163,11 10.163,12 9.91,13 23.324,14 4.02,15 4.02,16 1.98,17 16.961,18 23.072,21 4.875,22 4.875,24 18.011,27 6.875,28 0.266,29 3.069,30 3.069,31 5.069,32 3.069,33 5.126,34 1,35 4.03,36 12.677,37 6.639,38 2.049,39 1,40 0.699,41 4.298,42 4.298,43 1,44 1.045,45 15.686,47 8.891,48 1.631,49 3.921,50 4.628,51 4.628,52 18.702,54 113.715,55 21.724,56 0.726,57 13.141,58 1.6,59 5.236,61 0.721,62 1.985,63 6,64 1.121,65 -0.513,66 9.679,67 -0.594,68 1.572,69 5.523}
{0 CHEMBL331071,3 3.784,4 6.5,5 6.5,6 6.721,9 10.163,10 10.163,11 10.163,12 9.91,13 36.133,14 4.043,15 4.043,16 1.997,17 16.99,18 22.119,21 4.875,22 4.875,24 18.011,27 6.875,28 0.296,29 3.069,30 3.069,31 5.069,32 3.069,33 5.151,35 4.004,36 12.677,37 6.639,38 2.075,39 1,40 0.961,41 4.394,42 4.394,43 1,44 1.024,45 15.686,47 8.891,48 1.628,49 4.102,50 4.628,51 4.628,52 18.702,54 113.715,55 21.724,56 0.662,57 13.141,58 1.6,59 5.322,61 1.002,62 1.99,63 6,64 1.062,65 -0.539,66 9.679,67 -0.628,68 1.568,69 5.523}
{0 CHEMBL331388,1 1,2 1,3 3.428,4 6.354,5 6.354,6 4.544,7 1,8 1,9 9.498,10 9.498,11 9.498,12 6.914,13 22.742,14 3.943,15 3.943,16 2.872,17 15.807,18 20.956,21 3.995,22 3.995,23 1,24 42.683,25 1,26 1,27 5.995,28 0.296,29 2.945,30 2.945,31 4.945,32 2.945,33 5.039,35 3.156,36 7.982,37 4.973,38 2.149,40 1.107,41 4.406,42 4.406,44 0.966,45 9.808,46 9.147,47 4.403,48 1.512,49 3.976,50 2.609,51 2.609,52 11.664,53 2.279,54 104.239,55 13.539,56 0.576,57 8.81,59 5.304,60 2,61 0.243,62 1.762,63 3,64 1.122,65 -1.22,66 6.208,67 -1.966,68 1.519,69 5.979}
{0 CHEMBL332018,3 3.988,4 6.716,5 6.716,6 4.374,9 10.904,10 10.904,11 10.904,12 6.187,13 23.041,14 4.12,15 4.12,16 3.771,17 17.702,18 13.007,21 4.001,22 4.001,24 18.011,27 6.001,28 0.279,29 3.218,30 3.218,31 5.218,32 3.218,33 5.214,35 3.26,36 7.333,37 4.39,38 2.122,39 1,40 0.866,41 4.322,42 4.322,43 1,44 0.963,45 8.97,47 4.222,48 1.633,49 4.192,50 2.408,51 2.408,52 10.656,54 66.334,55 12.371,56 0.825,57 7.951,58 1.5,59 5.322,61 0.709,62 1.977,63 5,64 1.088,65 -0.776,66 5.779,67 -1.241,68 1.568,69 4.301}
{0 CHEMBL332465,1 1,2 1,3 3.73,4 7.111,5 7.111,6 5.585,7 1,8 1,9 11.657,10 11.657,11 11.657,12 9.418,13 24.041,14 4.171,15 4.171,16 5.666,17 18.533,18 9.444,20 1,21 4.46,22 4.46,23 1,24 60.694,25 1,26 1,27 6.46,28 0.294,29 3.313,30 3.313,31 5.313,32 3.313,33 5.184,34 1,35 3.516,36 10.755,37 6.762,38 2.065,40 1.038,41 4.439,42 4.439,44 0.769,45 13.424,46 9.351,47 5.409,48 1.495,49 3.925,50 3.825,51 3.825,52 16.102,54 66.334,55 18.784,56 0.574,57 12.086,58 1.9,59 5.324,60 2,61 0.583,62 1.93,63 5,64 1,65 -0.55,66 8.115,67 -1.35,68 1.505,69 5.62}
{0 CHEMBL340011,1 1,2 1,3 3.687,4 7.224,5 7.224,6 4.055,7 1,8 1,9 12.052,10 12.052,11 12.052,12 6.188,13 24.098,14 4.304,15 4.304,16 2.701,17 18.92,18 12.977,20 4,21 4.099,22 4.099,23 1,24 60.694,25 1,27 6.099,28 0.221,29 3.352,30 3.352,31 5.352,32 3.352,33 5.36,34 1,35 2.871,36 7.198,37 4.384,38 2.057,39 1,40 1.214,41 4.438,42 4.438,43 1,44 0.829,45 8.908,46 9.205,47 4.104,48 1.626,49 4.001,50 2.423,51 2.423,52 10.649,54 75.81,55 12.406,56 0.891,57 7.967,58 2.9,59 5.385,60 2,61 0.598,62 1.98,63 4,64 1.28,66 5.554,67 -1.242,68 1.652,69 5.509}
{0 CHEMBL344282,1 1,2 1,3 3.879,4 7.224,5 7.224,6 4.125,7 1,8 1,9 12.052,10 12.052,11 12.052,12 6.21,13 23.781,14 4.304,15 4.304,16 2.677,17 19.086,18 13.644,20 1,21 4.099,22 4.099,23 1,24 42.683,25 1,27 6.099,28 0.319,29 3.352,30 3.352,31 5.352,32 3.352,33 5.355,34 1,35 3.029,36 7.212,37 4.435,38 2.077,39 1,40 1.426,41 4.438,42 4.438,44 0.96,45 8.915,46 9.174,47 4.104,48 1.558,49 4.202,50 2.423,51 2.423,52 10.653,54 66.334,55 12.408,56 0.727,57 7.978,58 4.8,59 5.39,60 2,61 0.863,62 1.884,63 5,64 1.353,66 5.586,67 -0.355,68 1.584,69 6.131}
{0 CHEMBL345009,1 2,2 2,3 3.788,4 5.968,5 5.968,6 4.592,7 2,8 2,9 8.443,10 8.443,11 8.443,12 6.803,13 22.525,14 3.78,15 3.78,16 2.641,17 14.265,18 22.202,21 3.788,22 3.788,23 2,24 85.367,25 2,27 5.788,28 0.231,29 2.808,30 2.808,31 4.808,32 2.808,33 4.83,35 3.358,36 7.836,37 4.924,38 2.038,40 1.046,41 4.248,42 4.248,43 2,44 1.069,45 9.573,46 18.462,47 4.104,48 1.742,49 4.077,50 2.423,51 2.423,52 11.328,54 151.62,55 13.092,56 0.899,57 8.62,59 5.095,60 4,61 0.331,62 2.022,63 6,64 1.115,65 -1.721,66 6.148,67 -1.948,68 1.761,69 4.979}
{0 CHEMBL345721,1 1,2 1,3 3.892,4 7.224,5 7.224,6 4.143,7 1,8 1,9 12.052,10 12.052,11 12.052,12 6.21,13 24.184,14 4.304,15 4.304,16 2.68,17 19.099,18 15.1,20 1,21 4.099,22 4.099,23 1,24 42.683,25 1,27 6.099,28 0.271,29 3.352,30 3.352,31 5.352,32 3.352,33 5.355,34 1,35 3.098,36 7.213,37 4.435,38 2.057,39 1,40 1.437,41 4.438,42 4.438,43 2,44 0.903,45 8.915,46 9.207,47 4.104,48 1.623,49 4.058,50 2.423,51 2.423,52 10.653,54 75.81,55 12.408,56 0.697,57 7.978,58 4.5,59 5.39,60 2,61 0.575,62 1.927,63 4,64 1.404,66 5.589,67 -0.319,68 1.604,69 5.699}
{0 CHEMBL356170,1 1,2 1,3 3.92,4 7.224,5 7.224,6 4.125,7 1,8 1,9 12.052,10 12.052,11 12.052,12 6.21,13 24.269,14 4.304,15 4.304,16 2.675,17 19.573,18 17.421,20 1,21 4.099,22 4.099,23 1,24 42.683,25 1,27 6.099,28 0.277,29 3.352,30 3.352,31 5.352,32 3.352,33 5.355,34 1,35 3.029,36 7.212,37 4.435,38 2.057,39 1,40 1.423,41 4.438,42 4.438,44 0.922,45 8.915,46 9.205,47 4.104,48 1.666,49 4.012,50 2.423,51 2.423,52 10.653,54 85.286,55 12.408,56 0.837,57 7.978,58 4.5,59 5.392,60 2,61 0.475,62 1.927,63 3,64 1.358,65 -0.127,66 5.586,67 -0.26,68 1.684,69 5.824}
{0 CHEMBL359548,1 1,2 1,3 3.774,4 7.138,5 7.138,6 5.794,7 1,8 1,9 12.414,10 12.414,11 12.414,12 9.783,13 24.697,14 4.365,15 4.365,16 6.128,17 20.087,18 17.093,20 2,21 4.437,22 4.437,23 1,24 42.683,25 1,27 6.437,28 0.371,29 3.397,30 3.397,31 5.397,32 3.397,33 5.43,34 1,35 3.676,36 11.173,37 7.016,38 2.056,40 0.745,41 4.806,42 4.806,43 2,44 0.89,45 13.95,46 9.129,47 5.712,48 1.564,49 4.149,50 4.032,51 4.032,52 16.734,53 0.83,54 104.239,55 19.521,56 0.611,57 12.558,58 1.6,59 5.637,60 2,61 1.119,62 1.955,63 7,64 0.989,65 -1.071,66 8.426,67 -1.484,68 1.538,69 4.824}
{0 CHEMBL360231,1 1,2 1,3 3.289,4 7.422,5 7.422,6 3.905,7 1,8 1,9 12.922,10 12.922,11 12.922,12 6.111,13 11.462,14 4.393,15 4.393,16 2.622,17 19.932,18 11.08,19 1,20 1,21 4.131,22 4.131,23 1,24 42.683,25 1,27 6.131,28 0.263,29 3.438,30 3.438,31 5.438,32 3.438,33 5.5,34 1,35 2.812,36 7.14,37 4.238,38 2.114,40 1.432,41 4.537,42 4.537,43 1,44 0.956,45 8.878,46 9.396,47 4.104,48 1.437,49 4.172,50 2.423,51 2.423,52 10.635,54 56.857,55 12.399,56 0.679,57 7.928,59 5.537,60 1,61 0.936,62 1.938,63 6,64 1.239,65 0.674,66 5.448,67 -0.955,68 1.456,69 4.824}
{0 CHEMBL360240,1 1,2 1,3 4.131,4 7.422,5 7.422,6 4.964,7 1,8 1,9 12.922,10 12.922,11 12.922,12 7.903,13 11.415,14 4.393,15 4.393,16 5.679,17 19.932,18 9.37,19 1,20 1,21 4.271,22 4.271,23 1,24 42.683,25 1,27 6.271,28 0.24,29 3.438,30 3.438,31 5.438,32 3.438,33 5.5,34 1,35 3.412,36 9.016,37 5.72,38 2.064,40 0.746,41 4.537,42 4.537,43 1,44 0.876,45 11.162,46 9.349,47 4.7,48 1.433,49 4.172,50 3.02,51 3.02,52 13.333,54 56.857,55 15.519,56 0.679,57 10.068,59 5.481,60 1,61 0.455,62 1.848,63 6,64 1.013,66 6.922,67 -1.009,68 1.454,69 4.824}
{0 CHEMBL360246,1 1,2 1,3 3.3,4 7.422,5 7.422,6 3.905,7 1,8 1,9 12.922,10 12.922,11 12.922,12 6.111,13 11.469,14 4.393,15 4.393,16 2.643,17 19.932,18 16.256,19 1,20 1,21 4.131,22 4.131,23 1,24 42.683,25 1,27 6.131,28 0.281,29 3.438,30 3.438,31 5.438,32 3.438,33 5.5,34 1,35 2.812,36 7.14,37 4.238,38 2.064,40 1.247,41 4.537,42 4.537,43 1,44 0.889,45 8.878,46 9.398,47 4.104,48 1.434,49 4.172,50 2.423,51 2.423,52 10.635,54 94.762,55 12.399,56 0.679,57 7.928,59 5.481,60 1,61 1.098,62 1.915,63 8,64 1.036,66 5.448,67 -0.977,68 1.455,69 5.301}
{0 CHEMBL360368,1 1,2 1,3 3.084,4 5.968,5 5.968,6 3.905,7 1,8 1,9 8.443,10 8.443,11 8.443,12 6.111,13 11.189,14 3.78,15 3.78,16 2.62,17 14.265,18 24.538,21 3.788,22 3.788,23 1,24 42.683,25 1,27 5.788,28 0.233,29 2.808,30 2.808,31 4.808,32 2.808,33 4.872,35 2.812,36 7.14,37 4.238,38 2.037,40 1.108,41 4.087,42 4.087,43 1,44 0.993,45 8.878,46 9.175,47 4.104,48 1.597,49 3.858,50 2.423,51 2.423,52 10.635,54 123.191,55 12.399,56 0.819,57 7.928,59 5.004,60 2,61 0.46,62 1.95,63 5,64 1.197,65 -0.831,66 5.448,67 -0.953,68 1.605,69 5.804}
{0 CHEMBL360552,1 1,2 1,3 3.093,4 5.968,5 5.968,6 3.933,7 1,8 1,9 8.443,10 8.443,11 8.443,12 6.111,13 11.143,14 3.78,15 3.78,16 2.616,17 14.265,18 17.208,21 3.788,22 3.788,23 1,24 42.683,25 1,27 5.788,28 0.234,29 2.808,30 2.808,31 4.808,32 2.808,33 4.828,35 2.799,36 7.144,37 4.238,38 2.038,40 1.069,41 4.202,42 4.202,43 1,44 1.139,45 8.88,46 9.138,47 4.104,48 1.395,49 3.853,50 2.423,51 2.423,52 10.635,54 94.762,55 12.399,56 0.588,57 7.928,59 5.049,60 2,61 0.331,62 1.865,63 3,64 1.105,65 -0.824,66 5.461,67 -0.008,68 1.41,69 4.959}
{0 CHEMBL360919,1 1,2 1,3 3.285,4 7.422,5 7.422,6 3.905,7 1,8 1,9 12.922,10 12.922,11 12.922,12 6.111,13 11.405,14 4.393,15 4.393,16 2.626,17 19.932,18 10.785,19 1,20 1,21 4.131,22 4.131,23 1,24 42.683,25 1,27 6.131,28 0.265,29 3.438,30 3.438,31 5.438,32 3.438,33 5.499,34 1,35 2.812,36 7.14,37 4.238,38 2.064,40 1.434,41 4.537,42 4.537,43 1,44 0.863,45 8.878,46 9.349,47 4.104,48 1.429,49 4.172,50 2.423,51 2.423,52 10.635,54 56.857,55 12.399,56 0.572,57 7.928,59 5.481,60 1,61 0.826,62 1.848,63 6,64 1.26,66 5.448,67 -0.959,68 1.453,69 4.301}
{0 CHEMBL360992,1 1,2 1,3 4.131,4 7.422,5 7.422,6 5.791,7 1,8 1,9 12.922,10 12.922,11 12.922,12 9.783,13 11.399,14 4.393,15 4.393,16 6.045,17 19.932,18 8.717,19 1,20 1,21 4.437,22 4.437,23 1,24 42.683,25 1,27 6.437,28 0.249,29 3.438,30 3.438,31 5.438,32 3.438,33 5.5,34 1,35 3.641,36 11.173,37 7.016,38 2.064,40 0.832,41 4.537,42 4.537,43 1,44 0.539,45 13.95,46 9.335,47 5.712,48 1.43,49 4.172,50 4.032,51 4.032,52 16.734,54 56.857,55 19.521,56 0.449,57 12.558,59 5.481,60 1,61 0.572,62 1.846,63 6,64 0.998,66 8.425,67 -1.015,68 1.38,69 6.31}
{0 CHEMBL361166,1 1,2 1,3 3.298,4 7.594,5 7.594,6 3.882,7 1,8 1,9 13.687,10 13.687,11 13.687,12 6.111,13 11.659,14 4.443,15 4.443,16 2.584,17 20.699,18 11.497,19 1,20 1,21 4.154,22 4.154,23 1,24 42.683,25 1,27 6.154,28 0.278,29 3.487,30 3.487,31 5.487,32 3.487,33 5.551,34 1,35 2.719,36 7.139,37 4.238,38 2.07,40 1.338,41 4.574,42 4.574,43 1,44 0.931,45 8.878,46 9.56,47 4.104,48 1.524,49 4.183,50 2.423,51 2.423,52 10.635,54 56.857,55 12.399,56 0.819,57 7.928,59 5.519,60 1,61 0.803,62 1.885,63 6,64 1.234,65 0.42,66 5.444,67 -0.917,68 1.561,69 4.824}
{0 CHEMBL361424,1 1,2 1,3 4.154,4 7.594,5 7.594,6 5.791,7 1,8 1,9 13.687,10 13.687,11 13.687,12 9.783,13 11.63,14 4.443,15 4.443,16 6.045,17 20.699,18 8.769,19 1,20 1,21 4.437,22 4.437,23 1,24 42.683,25 1,27 6.437,28 0.24,29 3.487,30 3.487,31 5.487,32 3.487,33 5.552,34 1,35 3.641,36 11.173,37 7.016,38 2.07,40 0.809,41 4.574,42 4.574,43 1,44 0.583,45 13.95,46 9.526,47 5.712,48 1.512,49 4.183,50 4.032,51 4.032,52 16.734,54 56.857,55 19.521,56 0.454,57 12.558,59 5.519,60 1,61 0.568,62 1.874,63 6,64 1.013,66 8.425,67 -0.981,68 1.383,69 5.721}
{0 CHEMBL36268,1 1,2 1,3 3.576,4 7.111,5 7.111,6 5.472,7 1,8 1,9 11.659,10 11.659,11 11.659,12 9.388,13 10.823,14 4.178,15 4.178,16 5.653,17 18.576,18 10.395,21 4.46,22 4.46,23 1,24 42.683,26 1,27 6.46,28 0.331,29 3.316,30 3.316,31 5.316,32 3.316,33 5.25,35 3.318,36 10.735,37 6.69,38 2.004,40 1.092,41 4.47,42 4.47,44 0.612,45 13.417,46 8.866,47 5.335,48 1.342,49 4.164,50 3.825,51 3.825,52 16.1,54 75.81,55 18.783,56 0.218,57 12.074,58 2.4,59 5.307,61 0.803,62 1.775,63 7,64 0.901,66 8.065,67 -1.034,68 1.287,69 5.245}
{0 CHEMBL363006,1 1,2 1,3 4.218,4 7.914,5 7.914,6 5.791,7 1,8 1,9 14.782,10 14.782,11 14.782,12 9.783,13 11.734,14 4.579,15 4.579,16 6.056,17 21.961,18 8.42,19 1,21 4.437,22 4.437,23 1,24 42.683,25 1,27 6.437,28 0.284,29 3.618,30 3.618,31 5.618,32 3.618,33 5.695,35 3.641,36 11.173,37 7.016,38 1.994,40 0.768,41 4.7,42 4.7,43 1,44 0.524,45 13.95,46 9.605,47 5.712,48 1.512,49 4.144,50 4.032,51 4.032,52 16.734,54 56.857,55 19.521,56 0.469,57 12.558,59 5.607,60 1,61 0.562,62 1.923,63 6,64 0.998,65 -0.229,66 8.425,67 -1.016,68 1.37,69 4.301}
{0 CHEMBL363154,1 1,2 1,3 3.817,4 6.398,5 6.398,6 4.964,7 1,8 1,9 9.963,10 9.963,11 9.963,12 7.903,13 10.999,14 4.015,15 4.015,16 5.675,17 16.426,18 9.16,19 1,21 4.271,22 4.271,23 1,24 42.683,25 1,27 6.271,28 0.295,29 3.106,30 3.106,31 5.106,32 3.106,33 5.118,34 1,35 3.412,36 9.016,37 5.72,38 1.979,40 0.633,41 4.342,42 4.342,43 1,44 0.857,45 11.162,46 9.011,47 4.7,48 1.291,49 4.094,50 3.02,51 3.02,52 13.333,54 56.857,55 15.519,56 0.452,57 10.068,59 5.265,60 1,61 0.392,62 1.824,63 6,64 0.983,65 -0.876,66 6.922,67 -1.01,68 1.274,69 4.824}
{0 CHEMBL363532,1 1,2 1,3 3.58,4 6.391,5 6.391,6 3.882,7 1,8 1,9 9.667,10 9.667,11 9.667,12 6.111,13 23.457,14 3.993,15 3.993,16 2.648,17 16.41,18 23.571,21 3.785,22 3.785,23 1,24 42.683,25 1,27 5.785,28 0.267,29 2.974,30 2.974,31 4.974,32 2.974,33 5.076,35 2.719,36 7.139,37 4.238,38 2.055,40 1.238,41 4.331,42 4.331,43 1,44 0.984,45 8.878,46 9.047,47 4.104,48 1.43,49 3.903,50 2.423,51 2.423,52 10.635,54 123.191,55 12.399,56 0.56,57 7.928,59 5.248,60 2,61 0.627,62 1.951,63 5,64 1.127,65 -0.857,66 5.444,67 -0.998,68 1.448,69 5.634}
{0 CHEMBL363780,1 1,2 1,3 4.273,4 8.496,5 8.496,6 4.957,7 1,8 1,9 16.529,10 16.529,11 16.529,12 7.903,13 11.959,14 4.819,15 4.819,16 5.547,17 25.276,18 9.225,19 1,21 4.316,22 4.316,23 1,24 42.683,25 1,27 6.316,28 0.23,29 3.848,30 3.848,31 5.848,32 3.848,33 5.922,34 1,35 3.362,36 9.016,37 5.72,38 2.02,40 0.662,41 4.892,42 4.892,43 1,44 0.608,45 11.162,46 9.79,47 4.7,48 1.553,49 4.207,50 3.02,51 3.02,52 13.333,54 56.857,55 15.519,56 0.695,57 10.068,59 5.815,60 1,61 0.52,62 1.955,63 6,64 1.005,66 6.921,67 -1.004,68 1.534,69 4.301}
{0 CHEMBL366145,1 1,2 1,3 4.218,4 7.914,5 7.914,6 5.791,7 1,8 1,9 14.782,10 14.782,11 14.782,12 9.783,13 11.747,14 4.579,15 4.579,16 6.045,17 21.961,18 8.606,19 1,21 4.437,22 4.437,23 1,24 42.683,25 1,27 6.437,28 0.275,29 3.618,30 3.618,31 5.618,32 3.618,33 5.684,34 1,35 3.641,36 11.173,37 7.016,38 1.996,40 0.767,41 4.7,42 4.7,43 1,44 0.548,45 13.95,46 9.618,47 5.712,48 1.525,49 4.144,50 4.032,51 4.032,52 16.734,54 56.857,55 19.521,56 0.469,57 12.558,59 5.622,60 1,61 0.553,62 1.926,63 6,64 1.013,65 -0.213,66 8.425,67 -1,68 1.385,69 4.824}
{0 CHEMBL367002,1 1,2 1,3 3.358,4 6.884,5 6.884,6 2.46,7 1,8 1,9 11.523,10 11.523,11 11.523,13 10.901,14 4.249,15 4.249,16 2.61,17 19.067,18 20.5,21 3.576,22 3.576,23 1,24 42.683,26 1,27 5.576,28 0.289,29 3.26,30 3.26,31 5.26,32 3.26,33 5.329,34 1,35 2.09,36 3.65,38 2.071,40 1.067,41 4.692,42 4.692,44 1.115,45 4.341,46 8.944,47 2.873,48 1.493,49 4.137,50 1.437,51 1.437,52 5.052,53 1.792,54 104.239,55 5.77,56 0.716,58 1.7,59 5.625,61 0.856,62 1.989,63 6,64 1.071,66 3.006,67 -0.944,68 1.473,69 4.854}
{0 CHEMBL367019,1 1,2 1,3 3.635,4 6.884,5 6.884,6 5.272,7 1,8 1,9 11.523,10 11.523,11 11.523,12 6.05,13 10.858,14 4.249,15 4.249,16 2.532,17 19.067,18 19.502,20 1,21 4.441,22 4.441,23 1,24 42.683,25 1,26 1,27 6.441,28 0.298,29 3.26,30 3.26,31 5.26,32 3.26,33 5.374,34 1,35 3.38,36 9.443,37 4.213,38 2.071,40 0.673,41 4.692,42 4.692,44 1.038,45 11.573,46 8.915,47 5.9,48 1.581,49 4.137,50 2.95,51 2.95,52 13.716,53 1.791,54 94.762,55 15.866,56 0.694,57 7.838,58 1.7,59 5.614,60 1,61 0.463,62 1.981,63 7,64 0.974,66 7.333,67 -0.865,68 1.553,69 8.478}
{0 CHEMBL367311,1 1,2 1,3 3.358,4 6.884,5 6.884,6 3.792,7 1,8 1,9 11.523,10 11.523,11 11.523,12 6.05,13 10.759,14 4.249,15 4.249,16 2.505,17 19.067,18 21.285,19 1,21 3.635,22 3.635,23 1,24 42.683,25 1,26 1,27 5.635,28 0.28,29 3.26,30 3.26,31 5.26,32 3.26,33 5.33,34 1,35 2.599,36 7.043,37 4.213,38 2.071,40 0.698,41 4.692,42 4.692,43 1,44 1.094,45 8.766,46 8.838,47 4.03,48 1.614,49 4.059,50 2.397,51 2.397,52 10.503,53 1.803,54 104.239,55 12.247,56 0.735,57 7.838,58 1.6,59 5.625,61 0.507,62 1.992,63 6,64 1.086,66 5.359,67 -0.838,68 1.583,69 7.032}
{0 CHEMBL367549,1 1,2 1,3 4.154,4 7.594,5 7.594,6 5.611,7 1,8 1,9 13.687,10 13.687,11 13.687,12 9.425,13 11.619,14 4.443,15 4.443,16 5.712,17 20.699,18 8.247,19 1,20 1,21 4.461,22 4.461,23 1,24 42.683,25 1,27 6.461,28 0.246,29 3.487,30 3.487,31 5.487,32 3.487,33 5.551,34 1,35 3.556,36 10.761,37 6.771,38 2.07,40 1.106,41 4.574,42 4.574,43 1,44 0.738,45 13.427,46 9.517,47 5.506,48 1.432,49 4.183,50 3.825,51 3.825,52 16.104,54 56.857,55 18.785,56 0.458,57 12.09,59 5.519,60 1,61 0.992,62 1.876,63 6,64 0.977,66 8.128,67 -0.981,68 1.352,69 5.638}
{0 CHEMBL367891,1 1,2 1,3 3.31,4 7.422,5 7.422,6 3.882,7 1,8 1,9 12.922,10 12.922,11 12.922,12 6.111,13 11.461,14 4.393,15 4.393,16 2.614,17 19.932,18 11.749,19 1,20 1,21 4.131,22 4.131,23 1,24 42.683,25 1,27 6.131,28 0.269,29 3.438,30 3.438,31 5.438,32 3.438,33 5.499,34 1,35 2.719,36 7.139,37 4.238,38 2.064,40 1.337,41 4.537,42 4.537,43 1,44 0.884,45 8.878,46 9.397,47 4.104,48 1.616,49 4.172,50 2.423,51 2.423,52 10.635,54 56.857,55 12.399,56 0.922,57 7.928,59 5.481,60 1,61 0.866,62 1.863,63 6,64 1.187,65 0.633,66 5.444,67 -0.948,68 1.646,69 4.979}
{0 CHEMBL368371,1 1,2 1,3 3.358,4 7.616,5 7.616,6 3.792,7 1,8 1,9 13.28,10 13.28,11 13.28,12 6.05,13 11.412,14 4.483,15 4.483,16 2.516,17 20.911,18 21.378,19 1,21 4.12,22 4.12,23 1,24 42.683,25 1,26 1,27 6.12,28 0.264,29 3.482,30 3.482,31 5.482,32 3.482,33 5.565,34 1,35 2.599,36 7.043,37 4.213,38 2.072,40 1.557,41 4.692,42 4.692,43 1,44 1.035,45 8.766,46 9.366,47 4.03,48 1.718,49 4.137,50 2.397,51 2.397,52 10.503,53 1.8,54 104.239,55 12.247,56 0.884,57 7.838,58 1.4,59 5.626,61 0.534,62 1.993,63 6,64 1.113,66 5.359,67 -0.85,68 1.738,69 6.693}
{0 CHEMBL368793,1 1,2 1,3 3.358,4 6.884,5 6.884,6 3.685,7 1,8 1,9 11.523,10 11.523,11 11.523,12 5.889,13 10.768,14 4.249,15 4.249,16 2.467,17 19.067,18 21.631,19 1,20 1,21 3.6,22 3.6,23 1,24 42.683,25 1,26 1,27 5.6,28 0.28,29 3.26,30 3.26,31 5.26,32 3.26,33 5.339,34 1,35 2.527,36 6.85,37 4.112,38 2.071,40 0.923,41 4.692,42 4.692,43 1,44 1.012,45 8.526,46 8.849,47 3.925,48 1.698,49 4.074,50 2.341,51 2.341,52 10.216,53 1.778,54 104.239,55 11.912,56 0.884,57 7.625,58 1.6,59 5.614,60 1,61 0.7,62 1.991,63 6,64 1.086,66 5.21,67 -0.8,68 1.699,69 7.678}
{0 CHEMBL368931,1 1,2 1,3 3.358,4 6.884,5 6.884,6 3.685,7 1,8 1,9 11.523,10 11.523,11 11.523,12 5.889,13 10.879,14 4.249,15 4.249,16 2.481,17 19.067,18 21.605,20 1,21 3.601,22 3.601,23 1,24 42.683,25 1,26 1,27 5.601,28 0.28,29 3.26,30 3.26,31 5.26,32 3.26,33 5.34,35 2.527,36 6.85,37 4.112,38 2.071,40 0.973,41 4.692,42 4.692,44 1.034,45 8.526,46 8.938,47 3.925,48 1.708,49 4.137,50 2.341,51 2.341,52 10.216,53 1.769,54 104.239,55 11.912,56 0.887,57 7.625,58 1.6,59 5.619,60 2,61 1.075,62 1.991,63 6,64 1.086,66 5.21,67 -0.814,68 1.71,69 5.453}
{0 CHEMBL369053,1 1,2 1,3 3.358,4 6.884,5 6.884,6 2.46,7 1,8 1,9 11.523,10 11.523,11 11.523,13 11.05,14 4.249,15 4.249,16 2.628,17 19.067,18 20.57,20 1,21 3.58,22 3.58,23 1,24 42.683,26 1,27 5.58,28 0.289,29 3.26,30 3.26,31 5.26,32 3.26,33 5.33,35 2.09,36 3.65,38 2.071,40 1.069,41 4.692,42 4.692,44 1.089,45 4.341,46 9.062,47 2.873,48 1.483,49 4.137,50 1.437,51 1.437,52 5.052,53 1.781,54 104.239,55 5.77,56 0.716,58 1.7,59 5.626,61 0.847,62 1.99,63 6,64 1.071,66 3.006,67 -0.962,68 1.467,69 6.294}
{0 CHEMBL369289,1 1,2 1,3 3.287,4 7.422,5 7.422,6 3.905,7 1,8 1,9 12.922,10 12.922,11 12.922,12 6.111,13 11.42,14 4.393,15 4.393,16 2.625,17 19.932,18 10.876,19 1,20 1,21 4.131,22 4.131,23 1,24 42.683,25 1,27 6.131,28 0.255,29 3.438,30 3.438,31 5.438,32 3.438,33 5.499,34 1,35 2.812,36 7.14,37 4.238,38 2.064,40 1.455,41 4.537,42 4.537,43 1,44 0.876,45 8.878,46 9.362,47 4.104,48 1.433,49 4.172,50 2.423,51 2.423,52 10.635,54 56.857,55 12.399,56 0.679,57 7.928,59 5.481,60 1,61 0.902,62 1.853,63 6,64 1.27,66 5.448,67 -0.959,68 1.455,69 4.824}
{0 CHEMBL369607,1 1,2 1,3 3.358,4 6.884,5 6.884,6 3.882,7 1,8 1,9 11.523,10 11.523,11 11.523,12 6.111,13 10.885,14 4.249,15 4.249,16 2.669,17 19.067,18 21.039,21 3.774,22 3.774,23 1,24 42.683,25 1,27 5.774,28 0.296,29 3.26,30 3.26,31 5.26,32 3.26,33 5.337,35 2.719,36 7.139,37 4.238,38 2.071,40 1.151,41 4.692,42 4.692,44 1.062,45 8.878,46 8.923,47 4.104,48 1.727,49 4.069,50 2.423,51 2.423,52 10.635,53 1.793,54 104.239,55 12.399,56 0.921,57 7.928,58 1.5,59 5.626,60 2,61 0.49,62 1.984,63 6,64 1.145,65 -0.898,66 5.444,67 -1.003,68 1.756,69 6.866}
{0 CHEMBL369725,1 1,2 1,3 3.604,4 7.422,5 7.422,6 3.882,7 1,8 1,9 12.922,10 12.922,11 12.922,12 6.111,13 11.459,14 4.393,15 4.393,16 2.619,17 20.097,18 11.561,19 1,20 1,21 4.131,22 4.131,23 1,24 42.683,25 1,27 6.131,28 0.235,29 3.438,30 3.438,31 5.438,32 3.438,33 5.499,34 1,35 2.719,36 7.139,37 4.238,38 2.08,40 1.24,41 4.537,42 4.537,43 1,44 0.831,45 8.878,46 9.394,47 4.104,48 1.484,49 4.172,50 2.423,51 2.423,52 10.635,54 56.857,55 12.399,56 0.725,57 7.928,59 5.481,60 1,61 0.856,62 1.88,63 6,64 1.245,66 5.444,67 -0.952,68 1.538,69 4.854}
{0 CHEMBL370024,1 1,2 1,3 4.176,4 7.618,5 7.618,6 5.791,7 1,8 1,9 13.835,10 13.835,11 13.835,12 9.783,13 11.536,14 4.483,15 4.483,16 6.044,17 21.012,18 8.623,19 1,21 4.437,22 4.437,23 1,24 42.683,25 1,27 6.437,28 0.249,29 3.527,30 3.527,31 5.527,32 3.527,33 5.589,34 1,35 3.641,36 11.173,37 7.016,38 1.987,40 0.83,41 4.63,42 4.63,43 1,44 0.533,45 13.95,46 9.448,47 5.712,48 1.476,49 4.115,50 4.032,51 4.032,52 16.734,54 56.857,55 19.521,56 0.448,57 12.558,59 5.552,60 1,61 0.524,62 1.889,63 6,64 0.998,66 8.425,67 -0.998,68 1.384,69 5.924}
{0 CHEMBL37013,1 1,2 1,3 3.63,4 7.111,5 7.111,6 5.616,7 1,8 1,9 11.659,10 11.659,11 11.659,12 9.425,13 10.591,14 4.178,15 4.178,16 5.656,17 18.576,18 9.486,21 4.46,22 4.46,23 1,24 42.683,25 1,27 6.46,28 0.335,29 3.316,30 3.316,31 5.316,32 3.316,33 5.262,35 3.547,36 10.761,37 6.771,38 2.006,40 0.88,41 4.47,42 4.47,44 0.557,45 13.427,46 8.674,47 5.506,48 1.435,49 4.242,50 3.825,51 3.825,52 16.104,54 66.334,55 18.785,56 0.572,57 12.09,58 2.1,59 5.317,60 3,61 0.527,62 1.777,63 8,64 0.974,66 8.129,67 -1.07,68 1.448,69 7.523}
{0 CHEMBL371087,1 1,2 1,3 3.631,4 6.816,5 6.816,6 4.34,7 1,8 1,9 11.274,10 11.274,11 11.274,12 5.985,13 10.948,14 4.2,15 4.2,16 2.536,17 18.676,18 14.922,21 4.072,22 4.072,23 1,24 59.469,25 1,27 6.072,28 0.326,29 3.219,30 3.219,31 5.219,32 3.219,33 5.299,35 3.061,36 7.405,37 4.173,38 2.057,40 0.675,41 4.668,42 4.668,43 1,44 0.956,45 9.016,46 8.988,47 4.409,48 1.705,49 4.02,50 2.374,51 2.374,52 10.655,53 3.713,54 74.952,55 12.315,56 0.666,57 7.75,58 5.3,59 5.589,60 2,61 0.543,62 1.857,63 4,64 1.23,66 5.834,67 -0.87,68 1.7,69 5.582}
{0 CHEMBL371091,1 1,2 1,3 3.631,4 7.243,5 7.243,6 5.679,7 1,8 1,9 12.239,10 12.239,11 12.239,12 9.557,13 22.712,14 4.345,15 4.345,16 6.192,17 20.17,18 13.148,21 4.574,22 4.574,23 1,24 59.469,25 1,27 6.574,28 0.331,29 3.41,30 3.41,31 5.41,32 3.41,33 5.443,35 3.588,36 10.917,37 6.85,38 2.057,40 0.544,41 4.724,42 4.724,43 1,44 0.915,45 13.627,46 8.986,47 5.553,48 1.718,49 4.381,50 3.904,51 3.904,52 16.346,53 2.374,54 74.952,55 19.068,56 0.728,57 12.268,58 3.3,59 5.645,60 2,61 0.812,62 1.858,63 4,64 1.034,66 8.238,67 -2.792,68 1.729,69 5.038}
{0 CHEMBL371097,1 1,2 1,3 3.331,4 6.74,5 6.74,6 3.747,7 1,8 1,9 11.043,10 11.043,11 11.043,12 5.985,13 11.088,14 4.199,15 4.199,16 2.539,17 18.29,18 25.658,19 1,20 1,21 3.632,22 3.632,23 1,24 42.683,25 1,27 5.632,28 0.316,29 3.206,30 3.206,31 5.206,32 3.206,33 5.298,34 1,35 2.57,36 6.963,37 4.173,38 2.051,40 0.719,41 4.641,42 4.641,43 1,44 1.092,45 8.666,46 9.102,47 3.984,48 1.729,49 4.129,50 2.374,51 2.374,52 10.384,53 3.72,54 122.762,55 12.108,56 0.906,57 7.75,58 1.5,59 5.563,60 1,61 0.682,62 2.012,63 5,64 1.166,66 5.297,67 -0.873,68 1.758,69 5.111}
{0 CHEMBL373554,1 1,2 1,3 3.283,4 6.546,5 6.546,6 3.712,7 1,8 1,9 10.357,10 10.357,11 10.357,12 5.889,13 10.93,14 4.092,15 4.092,16 2.404,17 17.144,18 13.518,21 3.63,22 3.63,23 1,24 42.683,25 1,26 1,27 5.63,28 0.288,29 3.095,30 3.095,31 5.095,32 3.095,33 5.18,35 2.639,36 6.85,37 4.112,38 2.004,40 0.777,41 4.378,42 4.378,44 0.938,45 8.526,46 8.989,47 3.925,48 1.509,49 3.725,50 2.341,51 2.341,52 10.216,54 66.334,55 11.912,56 0.573,57 7.625,59 5.299,60 2,61 0.3,62 1.885,63 5,64 1.201,65 0.132,66 5.215,67 -0.737,68 1.516,69 6.932}
{0 CHEMBL373591,1 1,2 1,3 3.342,4 6.8,5 6.8,6 3.685,7 1,8 1,9 11.192,10 11.192,11 11.192,12 5.889,13 11.023,14 4.185,15 4.185,16 2.397,17 18.565,18 14.551,21 3.63,22 3.63,23 1,24 42.683,25 1,26 1,27 5.63,28 0.333,29 3.209,30 3.209,31 5.209,32 3.209,33 5.281,35 2.527,36 6.85,37 4.112,38 2.062,40 0.787,41 4.65,42 4.65,44 0.948,45 8.526,46 9.066,47 3.925,48 1.685,49 3.938,50 2.341,51 2.341,52 10.216,53 2.513,54 65.905,55 11.912,56 0.828,57 7.625,58 1.6,59 5.576,60 2,61 0.313,62 1.886,63 5,64 1.261,65 0.134,66 5.21,67 -0.73,68 1.715,69 7.538}
{0 CHEMBL373605,1 1,2 1,3 3.63,4 6.546,5 6.546,6 5.764,7 1,8 1,9 10.357,10 10.357,11 10.357,12 9.778,13 10.921,14 4.092,15 4.092,16 5.964,17 17.144,18 10.956,21 4.437,22 4.437,23 1,24 42.683,25 1,26 1,27 6.437,28 0.269,29 3.139,30 3.139,31 5.139,32 3.139,33 5.189,35 3.569,36 11.169,37 7.008,38 2.004,40 0.562,41 4.378,42 4.378,44 0.545,45 13.948,46 8.974,47 5.616,48 1.521,49 3.934,50 4.032,51 4.032,52 16.733,54 66.334,55 19.521,56 0.453,57 12.556,59 5.3,60 2,61 0.383,62 1.885,63 5,64 0.966,65 0.067,66 8.415,67 -0.786,68 1.388,69 7.886}
{0 CHEMBL373785,3 3.61,4 6.704,5 6.704,6 4.14,8 1,9 10.731,10 10.731,11 10.731,12 6.347,13 22.691,14 4.125,15 4.125,16 2.11,17 18.051,18 10.259,21 3.7,22 3.7,23 1,24 42.683,27 5.7,28 0.289,29 3.143,30 3.143,31 5.143,32 3.143,33 5.219,35 2.991,36 7.448,37 4.378,38 2.04,40 1.089,41 4.503,42 4.503,44 0.987,45 9.249,46 10.366,47 4.281,48 1.57,49 3.851,50 2.513,51 2.513,52 11.073,54 56.857,55 12.908,56 0.69,57 8.245,59 5.425,61 0.876,62 1.856,63 6,64 1.325,66 5.709,67 -0.617,68 1.59,69 6.34}
{0 CHEMBL373791,1 1,2 1,3 3.283,4 6.546,5 6.546,6 3.712,7 1,8 1,9 10.357,10 10.357,11 10.357,12 5.889,13 11.068,14 4.092,15 4.092,16 2.404,17 17.144,18 12.35,21 3.63,22 3.63,23 1,24 42.683,25 1,26 1,27 5.63,28 0.316,29 3.095,30 3.095,31 5.095,32 3.095,33 5.214,35 2.639,36 6.85,37 4.112,38 2.047,40 0.906,41 4.438,42 4.438,44 1.023,45 8.526,46 9.101,47 3.925,48 1.724,49 4.192,50 2.341,51 2.341,52 10.216,54 56.857,55 11.912,56 0.95,57 7.625,58 1.4,59 5.363,60 2,61 0.422,62 1.886,63 9,64 1.188,65 0.12,66 5.215,67 -0.737,68 1.762,69 8.495}
{0 CHEMBL373813,1 1,2 1,3 3.283,4 6.546,5 6.546,6 3.685,7 1,8 1,9 10.357,10 10.357,11 10.357,12 5.889,13 11.05,14 4.092,15 4.092,16 2.399,17 17.144,18 14.587,21 3.63,22 3.63,23 1,24 42.683,25 1,26 1,27 5.63,28 0.302,29 3.095,30 3.095,31 5.095,32 3.095,33 5.194,35 2.527,36 6.85,37 4.112,38 2.047,40 0.858,41 4.38,42 4.38,44 1.082,45 8.526,46 9.087,47 3.925,48 1.72,49 4.089,50 2.341,51 2.341,52 10.216,54 64.507,55 11.912,56 0.994,57 7.625,58 1.5,59 5.305,60 2,61 0.4,62 1.886,63 8,64 1.136,65 0.128,66 5.21,67 -0.733,68 1.759,69 7.959}
{0 CHEMBL374078,1 1,2 1,3 3.629,4 6.967,5 6.967,6 3.824,7 1,8 1,9 11.809,10 11.809,11 11.809,12 6.05,13 24.418,14 4.267,15 4.267,16 2.619,17 19.202,18 20.889,19 1,20 4,21 3.641,22 3.641,23 1,24 60.694,25 1,26 1,27 5.641,28 0.326,29 3.272,30 3.272,31 5.272,32 3.272,33 5.342,34 1,35 2.654,36 7.046,37 4.213,38 2.047,40 0.861,41 4.627,42 4.627,43 3,44 1.009,45 8.766,46 9.133,47 4.03,48 1.509,49 4.116,50 2.397,51 2.397,52 10.503,54 113.715,55 12.247,56 0.583,57 7.838,58 3.6,59 5.554,60 1,61 0.998,62 1.92,63 9,64 1.01,66 5.368,67 -1.361,68 1.49,69 7.155}
{0 CHEMBL374090,1 1,2 1,3 3.63,4 7.121,5 7.121,6 5.579,7 1,8 1,9 11.714,10 11.714,11 11.714,12 9.418,13 11.034,14 4.183,15 4.183,16 5.7,17 18.77,18 12.293,21 4.461,22 4.461,23 1,24 42.683,25 1,26 1,27 6.461,28 0.295,29 3.334,30 3.334,31 5.334,32 3.334,33 5.288,35 3.477,36 10.755,37 6.762,38 2.047,40 0.717,41 4.506,42 4.506,44 0.998,45 13.424,46 9.067,47 5.409,48 1.688,49 4.293,50 3.825,51 3.825,52 16.102,54 64.507,55 18.784,56 0.706,57 12.086,58 1.6,59 5.432,60 2,61 0.657,62 1.886,63 8,64 0.949,65 0.075,66 8.114,67 -0.774,68 1.632,69 8.481}
{0 CHEMBL374234,1 1,2 1,3 3.283,4 6.546,5 6.546,6 3.685,7 1,8 1,9 10.357,10 10.357,11 10.357,12 5.889,13 10.901,14 4.092,15 4.092,16 2.397,17 17.144,18 15.759,21 3.63,22 3.63,23 1,24 42.683,25 1,26 1,27 5.63,28 0.265,29 3.095,30 3.095,31 5.095,32 3.095,33 5.176,35 2.527,36 6.85,37 4.112,38 2.01,40 0.803,41 4.378,42 4.378,44 0.908,45 8.526,46 8.967,47 3.925,48 1.294,49 3.724,50 2.341,51 2.341,52 10.216,54 75.81,55 11.912,56 0.454,57 7.625,59 5.298,60 2,61 0.299,62 1.885,63 4,64 1.121,65 0.144,66 5.21,67 -0.73,68 1.28,69 7.357}
{0 CHEMBL374310,3 4.439,4 7.111,5 7.111,6 6.123,9 11.659,10 11.659,11 11.659,12 9.388,14 4.176,15 4.176,16 5.574,17 18.576,18 11.279,21 4.46,22 4.46,27 6.46,28 0.291,29 3.316,30 3.316,31 5.316,32 3.316,33 5.346,35 3.778,36 11.187,37 6.69,38 1.999,40 1.006,41 4.47,42 4.47,44 0.712,45 13.767,47 7.098,48 1.409,49 4.24,50 3.825,51 3.825,52 16.367,54 66.334,55 18.986,56 0.584,57 12.074,58 2.1,59 5.31,61 0.635,62 1.786,63 8,64 0.859,66 8.633,68 1.431,69 9}
{0 CHEMBL374346,1 1,2 1,3 3.283,4 6.546,5 6.546,6 3.685,7 1,8 1,9 10.357,10 10.357,11 10.357,12 5.889,13 10.95,14 4.092,15 4.092,16 2.399,17 17.144,18 15.995,21 3.63,22 3.63,23 1,24 59.469,25 1,26 1,27 5.63,28 0.314,29 3.095,30 3.095,31 5.095,32 3.095,33 5.188,35 2.527,36 6.85,37 4.112,38 2.013,40 0.784,41 4.424,42 4.424,44 0.95,45 8.526,46 9.006,47 3.925,48 1.527,49 3.725,50 2.341,51 2.341,52 10.216,53 2.246,54 75.381,55 11.912,56 0.656,57 7.625,58 2,59 5.345,60 2,61 0.29,62 1.886,63 4,64 1.121,65 0.136,66 5.21,67 -0.733,68 1.518,69 7.721}
{0 CHEMBL374355,1 1,2 1,3 4.099,4 7.224,5 7.224,6 5.612,7 1,8 1,9 12.052,10 12.052,11 12.052,12 9.425,13 23.825,14 4.304,15 4.304,16 5.674,17 18.975,18 10.792,20 4,21 4.46,22 4.46,23 1,24 60.694,25 1,27 6.46,28 0.304,29 3.352,30 3.352,31 5.352,32 3.352,33 5.431,35 3.535,36 10.761,37 6.771,38 1.999,40 1.148,41 4.495,42 4.495,43 1,44 0.853,45 13.427,46 9.125,47 5.506,48 1.408,49 4.407,50 3.825,51 3.825,52 16.104,54 75.81,55 18.785,56 0.469,57 12.09,58 3.9,59 5.347,60 2,61 0.724,62 1.858,63 7,64 0.924,66 8.128,67 -1.53,68 1.35,69 5}
{0 CHEMBL374502,1 1,2 1,3 3.637,4 6.882,5 6.882,6 3.898,7 1,8 1,9 11.483,10 11.483,11 11.483,12 6.05,13 24.162,14 4.214,15 4.214,16 2.636,17 18.661,18 18.637,19 1,20 2,21 3.643,22 3.643,23 1,24 60.694,25 1,26 1,27 5.643,28 0.325,29 3.219,30 3.219,31 5.219,32 3.219,33 5.293,34 1,35 2.825,36 7.051,37 4.213,38 2.022,40 0.921,41 4.572,42 4.572,43 3,44 0.97,45 8.768,46 8.966,47 4.03,48 1.569,49 4.229,50 2.397,51 2.397,52 10.503,54 104.239,55 12.247,56 0.654,57 7.838,58 3.4,59 5.502,60 1,61 0.904,62 1.921,63 10,64 1.073,66 5.39,67 -1.402,68 1.543,69 5}
{0 CHEMBL374545,1 1,2 1,3 3.588,4 6.546,5 6.546,6 3.81,7 1,8 1,9 10.357,10 10.357,11 10.357,12 5.889,13 22.65,14 4.092,15 4.092,16 2.414,17 17.144,18 13.701,21 3.63,22 3.63,23 1,24 42.683,25 1,26 1,27 5.63,28 0.346,29 3.095,30 3.095,31 5.095,32 3.095,33 5.206,35 2.759,36 6.865,37 4.112,38 2.006,40 0.727,41 4.46,42 4.46,44 0.984,45 8.53,46 9.048,47 3.925,48 1.559,49 4.059,50 2.341,51 2.341,52 10.217,54 66.334,55 11.912,56 0.706,57 7.625,58 1.7,59 5.381,60 2,61 0.547,62 1.885,63 8,64 1.094,65 0.113,66 5.257,67 -0.705,68 1.585,69 8.161}
{0 CHEMBL374682,1 2,2 2,3 3.617,4 6.546,5 6.546,6 3.879,7 2,8 2,9 10.357,10 10.357,11 10.357,12 5.889,13 22.197,14 4.092,15 4.092,16 2.624,17 17.144,18 13.368,20 2,21 3.63,22 3.63,23 2,24 85.367,25 1,26 1,27 5.63,28 0.35,29 3.095,30 3.095,31 5.095,32 3.095,33 5.207,35 2.812,36 6.888,37 4.112,38 2.006,40 0.691,41 4.46,42 4.46,44 0.951,45 8.54,46 18.224,47 3.925,48 1.528,49 4.059,50 2.341,51 2.341,52 10.221,54 66.334,55 11.914,56 0.706,57 7.625,58 1.7,59 5.381,60 4,61 0.657,62 1.885,63 8,64 1.067,65 0.102,66 5.302,67 -1.714,68 1.518,69 6.662}
{0 CHEMBL374901,1 1,2 1,3 3.283,4 6.546,5 6.546,6 3.685,7 1,8 1,9 10.357,10 10.357,11 10.357,12 5.889,13 11.026,14 4.092,15 4.092,16 2.4,17 17.144,18 16.195,21 3.63,22 3.63,23 1,24 42.683,25 1,26 1,27 5.63,28 0.289,29 3.095,30 3.095,31 5.095,32 3.095,33 5.191,35 2.527,36 6.85,37 4.112,38 2.047,40 0.824,41 4.378,42 4.378,44 1.06,45 8.526,46 9.068,47 3.925,48 1.528,49 3.995,50 2.341,51 2.341,52 10.216,54 64.507,55 11.912,56 0.706,57 7.625,58 1.6,59 5.304,60 2,61 0.421,62 1.886,63 7,64 1.111,65 0.129,66 5.21,67 -0.733,68 1.521,69 8.796}
{0 CHEMBL374925,1 1,2 1,3 3.283,4 6.546,5 6.546,6 3.712,7 1,8 1,9 10.357,10 10.357,11 10.357,12 5.889,13 11.026,14 4.092,15 4.092,16 2.409,17 17.144,18 11.889,21 3.63,22 3.63,23 1,24 42.683,25 1,26 1,27 5.63,28 0.346,29 3.095,30 3.095,31 5.095,32 3.095,33 5.196,35 2.639,36 6.85,37 4.112,38 2.004,40 0.852,41 4.427,42 4.427,43 1,44 0.939,45 8.526,46 9.066,47 3.925,48 1.528,49 4.176,50 2.341,51 2.341,52 10.216,54 56.857,55 11.912,56 0.706,57 7.625,58 1.6,59 5.352,60 2,61 0.457,62 1.885,63 9,64 1.157,65 0.116,66 5.215,67 -0.743,68 1.546,69 8.398}
{0 CHEMBL37495,1 1,2 1,3 4.437,4 7.111,5 7.111,6 6.216,7 1,8 1,9 11.659,10 11.659,11 11.659,12 9.425,13 10.5,14 4.178,15 4.178,16 5.638,17 18.576,18 11.6,21 4.46,22 4.46,23 1,24 42.683,25 1,27 6.46,28 0.298,29 3.316,30 3.316,31 5.316,32 3.316,33 5.305,35 3.979,36 11.204,37 6.771,38 2.004,40 0.905,41 4.47,42 4.47,44 0.619,45 13.774,46 8.604,47 7.098,48 1.352,49 4.042,50 3.825,51 3.825,52 16.371,54 75.81,55 18.987,56 0.342,57 12.09,58 2.2,59 5.317,60 2,61 0.566,62 1.767,63 7,64 0.886,66 8.673,67 -1.048,68 1.334,69 6.377}
{0 CHEMBL375072,1 2,2 2,3 3.63,4 6.546,5 6.546,6 4.395,7 2,8 2,9 10.357,10 10.357,11 10.357,12 6.665,13 21.988,14 4.092,15 4.092,16 2.549,17 17.144,18 13.788,20 2,21 3.636,22 3.636,23 2,24 85.367,25 2,26 2,27 5.636,28 0.319,29 3.095,30 3.095,31 5.095,32 3.095,33 5.196,34 1,35 3.091,36 7.643,37 4.849,38 2.047,40 0.603,41 4.382,42 4.382,44 1.076,45 9.346,46 18.062,47 4.03,48 1.719,49 4.102,50 2.397,51 2.397,52 11.063,54 64.507,55 12.786,56 0.936,57 8.43,58 1.5,59 5.307,60 3,61 0.654,62 1.886,63 8,64 1.109,65 0.103,66 5.974,67 -1.634,68 1.748,69 8.337}
{0 CHEMBL375098,1 1,2 1,3 3.283,4 6.546,5 6.546,6 3.685,7 1,8 1,9 10.357,10 10.357,11 10.357,12 5.889,13 10.958,14 4.092,15 4.092,16 2.395,17 17.144,18 14.258,21 3.63,22 3.63,23 1,24 42.683,25 1,26 1,27 5.63,28 0.273,29 3.095,30 3.095,31 5.095,32 3.095,33 5.181,35 2.527,36 6.85,37 4.112,38 2.055,40 0.812,41 4.378,42 4.378,44 0.973,45 8.526,46 9.014,47 3.925,48 1.527,49 3.725,50 2.341,51 2.341,52 10.216,54 66.334,55 11.912,56 0.706,57 7.625,59 5.303,60 2,61 0.323,62 1.886,63 5,64 1.169,65 0.142,66 5.21,67 -0.728,68 1.518,69 8.62}
{0 CHEMBL375373,1 1,2 1,3 3.283,4 6.546,5 6.546,6 3.685,7 1,8 1,9 10.357,10 10.357,11 10.357,12 5.889,13 10.958,14 4.092,15 4.092,16 2.407,17 17.144,18 11.704,21 3.63,22 3.63,23 1,24 42.683,25 1,26 1,27 5.63,28 0.344,29 3.095,30 3.095,31 5.095,32 3.095,33 5.186,35 2.527,36 6.85,37 4.112,38 2.011,40 0.824,41 4.534,42 4.534,44 0.878,45 8.526,46 9.011,47 3.925,48 1.527,49 3.741,50 2.341,51 2.341,52 10.216,53 1.725,54 56.857,55 11.912,56 0.704,57 7.625,58 2,59 5.455,60 2,61 0.366,62 1.886,63 5,64 1.108,65 0.125,66 5.21,67 -0.74,68 1.517,69 7.796}
{0 CHEMBL375427,1 1,2 1,3 3.283,4 6.546,5 6.546,6 3.738,7 1,8 1,9 10.357,10 10.357,11 10.357,12 5.889,13 11.046,14 4.092,15 4.092,16 2.411,17 17.144,18 11.868,21 3.63,22 3.63,23 1,24 42.683,25 1,26 1,27 5.63,28 0.329,29 3.095,30 3.095,31 5.095,32 3.095,33 5.214,35 2.739,36 6.851,37 4.112,38 2.004,40 0.862,41 4.45,42 4.45,43 2,44 0.981,45 8.526,46 9.082,47 3.925,48 1.528,49 4.205,50 2.341,51 2.341,52 10.216,54 56.857,55 11.912,56 0.706,57 7.625,58 1.6,59 5.394,60 2,61 0.38,62 1.919,63 9,64 1.163,65 0.112,66 5.219,67 -0.744,68 1.539,69 8.886}
{0 CHEMBL375471,1 1,2 1,3 3.729,4 7.119,5 7.119,6 5.585,7 1,8 1,9 11.704,10 11.704,11 11.704,12 9.418,13 23.782,14 4.202,15 4.202,16 5.965,17 18.781,18 6.894,20 2,21 4.461,22 4.461,23 1,24 60.694,25 1,26 1,27 6.461,28 0.302,29 3.33,30 3.33,31 5.33,32 3.33,33 5.242,35 3.516,36 10.755,37 6.762,38 2.071,40 1.03,41 4.502,42 4.502,44 0.708,45 13.424,46 9.312,47 5.409,48 1.489,49 4.188,50 3.825,51 3.825,52 16.102,54 56.857,55 18.784,56 0.709,57 12.086,58 1.7,59 5.399,60 2,61 0.773,62 1.959,63 6,64 0.998,65 -0.569,66 8.115,67 -1.781,68 1.506,69 9.092}
{0 CHEMBL375747,1 1,2 1,3 3.63,4 6.546,5 6.546,6 4.32,7 1,8 1,9 10.357,10 10.357,11 10.357,12 5.889,13 10.951,14 4.092,15 4.092,16 2.419,17 17.144,18 10.978,21 4.059,22 4.059,23 1,24 42.683,25 1,26 1,27 6.059,28 0.306,29 3.095,30 3.095,31 5.095,32 3.095,33 5.183,35 3.104,36 7.334,37 4.112,38 2.004,40 0.838,41 4.378,42 4.378,43 1,44 0.871,45 8.919,46 9.004,47 4.376,48 1.525,49 3.77,50 2.341,51 2.341,52 10.529,54 56.857,55 12.159,56 0.573,57 7.625,58 2,59 5.302,60 2,61 0.5,62 1.885,63 6,64 1.16,65 0.109,66 5.787,67 -0.753,68 1.518,69 7.854}
{0 CHEMBL375748,1 1,2 1,3 3.283,4 6.546,5 6.546,6 3.685,7 1,8 1,9 10.357,10 10.357,11 10.357,12 5.889,13 10.972,14 4.092,15 4.092,16 2.399,17 17.144,18 20.522,21 3.63,22 3.63,23 1,24 42.683,25 1,26 1,27 5.63,28 0.282,29 3.095,30 3.095,31 5.095,32 3.095,33 5.187,35 2.527,36 6.85,37 4.112,38 2.015,40 0.806,41 4.378,42 4.378,44 0.88,45 8.526,46 9.024,47 3.925,48 1.504,49 3.807,50 2.341,51 2.341,52 10.216,54 91.108,55 11.912,56 0.654,57 7.625,59 5.299,60 2,61 0.354,62 1.886,63 6,64 0.99,65 0.135,66 5.21,67 -0.732,68 1.514,69 8.229}
{0 CHEMBL375760,1 1,2 1,3 4.099,4 7.224,5 7.224,6 5.614,7 1,8 1,9 12.052,10 12.052,11 12.052,12 9.425,13 23.787,14 4.304,15 4.304,16 5.716,17 19.12,18 11.42,20 3,21 4.46,22 4.46,23 1,24 60.694,25 1,27 6.46,28 0.294,29 3.352,30 3.352,31 5.352,32 3.352,33 5.429,35 3.551,36 10.761,37 6.771,38 2.025,40 1.173,41 4.515,42 4.515,44 0.867,45 13.427,46 9.13,47 5.506,48 1.446,49 4.393,50 3.825,51 3.825,52 16.104,54 75.81,55 18.785,56 0.474,57 12.09,58 3.7,59 5.396,60 2,61 0.662,62 1.865,63 7,64 0.939,66 8.129,67 -1.487,68 1.374,69 4.602}
{0 CHEMBL375761,1 1,2 1,3 4.099,4 7.284,5 7.284,6 5.614,7 1,8 1,9 12.435,10 12.435,11 12.435,12 9.425,13 23.802,14 4.304,15 4.304,16 5.784,17 20.202,18 11.656,20 3,21 4.47,22 4.47,23 1,24 60.694,25 1,27 6.47,28 0.294,29 3.406,30 3.406,31 5.406,32 3.406,33 5.43,35 3.551,36 10.761,37 6.771,38 2.025,40 1.132,41 4.619,42 4.619,44 0.94,45 13.427,46 9.13,47 5.506,48 1.44,49 4.362,50 3.825,51 3.825,52 16.104,54 75.81,55 18.785,56 0.469,57 12.09,58 3.7,59 5.501,60 2,61 1.028,62 1.865,63 7,64 0.939,66 8.129,67 -1.552,68 1.347,69 6.093}
{0 CHEMBL375812,1 1,2 1,3 3.283,4 6.546,5 6.546,6 3.685,7 1,8 1,9 10.357,10 10.357,11 10.357,12 5.889,13 11.018,14 4.092,15 4.092,16 2.398,17 17.144,18 14.274,21 3.63,22 3.63,23 1,24 42.683,25 1,26 1,27 5.63,28 0.311,29 3.095,30 3.095,31 5.095,32 3.095,33 5.205,35 2.527,36 6.85,37 4.112,38 2.02,40 0.823,41 4.424,42 4.424,44 0.998,45 8.526,46 9.062,47 3.925,48 1.528,49 4.019,50 2.341,51 2.341,52 10.216,54 66.334,55 11.912,56 0.761,57 7.625,58 1.6,59 5.368,60 2,61 0.352,62 1.985,63 8,64 1.075,65 0.132,66 5.21,67 -0.732,68 1.518,69 6.842}
{0 CHEMBL376050,1 1,2 1,3 3.602,4 7.224,5 7.224,6 3.895,7 1,8 2,9 12.052,10 12.052,11 12.052,12 6.111,13 23.748,14 4.304,15 4.304,16 2.717,17 18.92,18 13.562,20 3,21 4.099,22 4.099,23 2,24 103.377,25 1,27 6.099,28 0.315,29 3.352,30 3.352,31 5.352,32 3.352,33 5.427,35 2.708,36 7.141,37 4.238,38 2.025,40 1.356,41 4.468,42 4.468,44 0.959,45 8.879,46 18.544,47 4.104,48 1.277,49 4.06,50 2.423,51 2.423,52 10.635,54 75.81,55 12.399,56 0.469,57 7.928,58 3.8,59 5.349,60 2,61 0.694,62 1.865,63 7,64 1.09,66 5.451,67 -1.271,68 1.308,69 5}
{0 CHEMBL376165,1 1,2 1,3 3.729,4 7.119,5 7.119,6 5.585,7 1,8 1,9 11.704,10 11.704,11 11.704,12 9.418,13 23.703,14 4.202,15 4.202,16 5.964,17 18.781,18 6.849,20 2,21 4.461,22 4.461,23 1,24 60.694,25 1,26 1,27 6.461,28 0.313,29 3.33,30 3.33,31 5.33,32 3.33,33 5.232,35 3.516,36 10.755,37 6.762,38 2.07,40 1.053,41 4.502,42 4.502,44 0.69,45 13.424,46 9.285,47 5.409,48 1.475,49 4.188,50 3.825,51 3.825,52 16.102,54 56.857,55 18.784,56 0.594,57 12.086,58 1.8,59 5.394,60 2,61 0.804,62 1.917,63 6,64 0.986,65 -0.568,66 8.115,67 -1.786,68 1.473,69 8.77}
{0 CHEMBL376418,1 1,2 1,3 3.283,4 6.546,5 6.546,6 3.685,7 1,8 1,9 10.357,10 10.357,11 10.357,12 5.889,13 10.967,14 4.092,15 4.092,16 2.403,17 17.144,18 19.253,21 3.63,22 3.63,23 1,24 42.683,25 1,26 1,27 5.63,28 0.293,29 3.095,30 3.095,31 5.095,32 3.095,33 5.182,35 2.527,36 6.85,37 4.112,38 2.015,40 0.781,41 4.378,42 4.378,43 1,44 0.878,45 8.526,46 9.019,47 3.925,48 1.53,49 3.807,50 2.341,51 2.341,52 10.216,54 99.289,55 11.912,56 0.653,57 7.625,59 5.299,60 2,61 0.356,62 1.886,63 6,64 1.098,65 0.129,66 5.21,67 -0.737,68 1.518,69 8.42}
{0 CHEMBL376537,1 1,2 1,3 3.283,4 6.546,5 6.546,6 3.685,7 1,8 1,9 10.357,10 10.357,11 10.357,12 5.889,13 10.936,14 4.092,15 4.092,16 2.396,17 17.144,18 12.159,21 3.63,22 3.63,23 1,24 42.683,25 1,26 1,27 5.63,28 0.324,29 3.095,30 3.095,31 5.095,32 3.095,33 5.179,35 2.527,36 6.85,37 4.112,38 2.053,40 0.767,41 4.378,42 4.378,44 0.972,45 8.526,46 8.995,47 3.925,48 1.425,49 3.725,50 2.341,51 2.341,52 10.216,54 56.857,55 11.912,56 0.629,57 7.625,59 5.299,60 2,61 0.265,62 1.886,63 6,64 1.155,65 0.142,66 5.21,67 -0.73,68 1.476,69 7.174}
{0 CHEMBL376641,1 1,2 1,3 4.46,4 7.295,5 7.295,6 6.213,7 1,8 1,9 12.487,10 12.487,11 12.487,12 10.1,13 23.713,14 4.304,15 4.304,16 6.219,17 20.203,18 9.295,20 3,21 4.474,22 4.474,23 1,24 60.694,25 1,27 6.474,28 0.278,29 3.429,30 3.429,31 5.429,32 3.429,33 5.441,35 4.001,36 11.441,37 7.424,38 2.025,40 1.043,41 4.65,42 4.65,44 1.117,45 14.115,46 9.107,47 5.506,48 1.451,49 4.438,50 3.825,51 3.825,52 16.795,54 75.81,55 19.477,56 0.469,57 12.775,58 3.7,59 5.536,60 2,61 1.124,62 1.864,63 7,64 0.89,66 8.787,67 -2.246,68 1.386,69 5.084}
{0 CHEMBL377093,1 1,2 1,3 4.46,4 7.111,5 7.111,6 6.214,7 1,8 1,9 11.659,10 11.659,11 11.659,12 10.1,13 10.728,14 4.181,15 4.181,16 5.777,17 18.578,18 14.727,21 4.46,22 4.46,23 1,24 42.683,25 1,27 6.46,28 0.308,29 3.317,30 3.317,31 5.317,32 3.317,33 5.264,35 3.999,36 11.441,37 7.424,38 2.065,40 0.907,41 4.477,42 4.477,44 0.613,45 14.115,46 8.775,47 5.506,48 1.484,49 4.332,50 3.825,51 3.825,52 16.795,54 113.715,55 19.477,56 0.624,57 12.775,58 3.3,59 5.322,60 3,61 0.737,62 1.989,63 10,64 0.888,66 8.787,67 -1.131,68 1.489,69 7.398}
{0 CHEMBL377508,1 1,2 1,3 3.3,4 7.224,5 7.224,6 3.905,7 1,8 1,9 12.052,10 12.052,11 12.052,12 6.111,13 11.138,14 4.304,15 4.304,16 2.703,17 18.92,18 17.659,21 4.099,22 4.099,23 1,24 42.683,25 1,27 6.099,28 0.25,29 3.352,30 3.352,31 5.352,32 3.352,33 5.397,35 2.812,36 7.14,37 4.238,38 1.997,40 1.338,41 4.438,42 4.438,44 0.958,45 8.878,46 9.123,47 4.104,48 1.442,49 4.012,50 2.423,51 2.423,52 10.635,54 104.239,55 12.399,56 0.711,57 7.928,59 5.37,60 2,61 1.013,62 1.931,63 7,64 1.087,66 5.448,67 -1.036,68 1.448,69 6.406}
{0 CHEMBL377660,1 1,2 1,3 3.31,4 6.223,5 6.223,6 3.712,7 1,8 1,9 9.4,10 9.4,11 9.4,12 5.889,13 10.787,14 3.898,15 3.898,16 2.453,17 15.836,18 21.543,21 3.601,22 3.601,23 1,24 42.683,25 1,26 1,27 5.601,28 0.287,29 2.955,30 2.955,31 4.955,32 2.955,33 4.999,35 2.639,36 6.85,37 4.112,38 2.064,40 0.882,41 4.298,42 4.298,43 1,44 0.997,45 8.526,46 8.867,47 3.925,48 1.601,49 3.868,50 2.341,51 2.341,52 10.216,54 104.239,55 11.912,56 0.819,57 7.625,59 5.221,60 3,61 0.315,62 1.981,63 7,64 1.17,65 -0.063,66 5.215,67 -0.787,68 1.636,69 8.35}
{0 CHEMBL377695,1 1,2 1,3 3.161,4 6.312,5 6.312,6 3.909,7 1,8 1,9 9.698,10 9.698,11 9.698,12 6.111,13 10.741,14 4.025,15 4.025,16 2.684,17 16.174,18 27.12,21 3.63,22 3.63,23 1,24 42.683,25 1,27 5.63,28 0.328,29 3.028,30 3.028,31 5.028,32 3.028,33 5.097,35 2.699,36 7.143,37 4.238,38 2.11,40 0.598,41 4.401,42 4.401,44 0.864,45 8.879,46 8.804,47 4.104,48 1.453,49 4.112,50 2.423,51 2.423,52 10.635,54 132.667,55 12.399,56 0.619,57 7.928,59 5.245,60 3,61 0.379,62 1.96,63 10,64 0.963,66 5.457,67 -1.017,68 1.482,69 6.959}
{0 CHEMBL377883,1 1,2 1,3 4.437,4 7.111,5 7.111,6 6.316,7 1,8 1,9 11.659,10 11.659,11 11.659,12 10.298,13 10.752,14 4.178,15 4.178,16 6.09,17 18.566,18 19.881,21 4.46,22 4.46,23 1,24 42.683,25 1,27 6.46,28 0.299,29 3.316,30 3.316,31 5.316,32 3.316,33 5.252,35 4.054,36 11.671,37 7.559,38 2.116,40 0.655,41 4.466,42 4.466,44 0.645,45 14.411,46 8.797,47 5.712,48 1.532,49 4.243,50 4.032,51 4.032,52 17.159,54 132.667,55 19.912,56 0.626,57 13.038,59 5.31,60 3,61 0.654,62 1.983,63 10,64 0.84,66 8.952,67 -1.115,68 1.489,69 7.222}
{0 CHEMBL377898,1 1,2 1,3 3.788,4 7.111,5 7.111,6 5.604,7 1,8 1,9 11.659,10 11.659,11 11.659,12 9.425,13 11.483,14 4.179,15 4.179,16 5.65,17 18.578,18 14.305,20 1,21 4.46,22 4.46,23 1,24 42.683,25 1,27 6.46,28 0.338,29 3.316,30 3.316,31 5.316,32 3.316,33 5.232,35 3.484,36 10.761,37 6.771,38 2.06,40 0.92,41 4.563,42 4.563,43 1,44 0.618,45 13.427,46 9.407,47 5.506,48 1.645,49 4.349,50 3.825,51 3.825,52 16.104,53 1.889,54 84.857,55 18.785,56 0.727,57 12.09,58 3.3,59 5.438,60 3,61 0.579,62 1.907,63 6,64 1.034,65 -0.893,66 8.128,67 -0.985,68 1.641,69 5.796}
{0 CHEMBL378057,1 1,2 1,3 3.635,4 6.984,5 6.984,6 3.824,7 1,8 1,9 11.84,10 11.84,11 11.84,12 6.05,13 24,14 4.271,15 4.271,16 2.635,17 19.313,18 9.68,20 1,21 3.66,22 3.66,23 1,24 60.694,25 1,26 1,27 5.66,28 0.372,29 3.282,30 3.282,31 5.282,32 3.282,33 5.346,35 2.654,36 7.046,37 4.213,38 2.013,40 0.87,41 4.626,42 4.626,43 2,44 1.067,45 8.766,46 8.981,47 4.03,48 1.456,49 4.191,50 2.397,51 2.397,52 10.503,54 56.857,55 12.247,56 0.498,57 7.838,58 3.7,59 5.554,60 2,61 0.742,62 1.919,63 9,64 1.13,65 -0.11,66 5.368,67 -1.365,68 1.434,69 7.046}
{0 CHEMBL378068,1 1,2 1,3 3.601,4 6.63,5 6.63,6 3.685,7 1,8 1,9 10.547,10 10.547,11 10.547,12 5.889,13 23.916,14 4.108,15 4.108,16 2.466,17 17.708,18 20.763,21 3.626,22 3.626,23 1,24 42.683,25 1,26 1,27 5.626,28 0.309,29 3.108,30 3.108,31 5.108,32 3.108,33 5.196,35 2.527,36 6.85,37 4.112,38 2.072,40 1.032,41 4.456,42 4.456,44 0.987,45 8.526,46 8.87,47 3.925,48 1.612,49 3.973,50 2.341,51 2.341,52 10.216,54 104.239,55 11.912,56 0.837,57 7.625,59 5.379,60 3,61 0.401,62 1.986,63 7,64 1.118,65 -0.147,66 5.21,67 -0.848,68 1.646,69 8.155}
{0 CHEMBL378325,1 1,2 1,3 3.631,4 6.91,5 6.91,6 3.824,7 1,8 1,9 11.545,10 11.545,11 11.545,12 6.05,13 23.621,14 4.227,15 4.227,16 2.636,17 18.936,18 9.616,20 1,21 3.644,22 3.644,23 1,24 60.694,25 1,26 1,27 5.644,28 0.364,29 3.242,30 3.242,31 5.242,32 3.242,33 5.302,35 2.654,36 7.046,37 4.213,38 2.01,40 0.879,41 4.598,42 4.598,43 2,44 0.942,45 8.766,46 8.92,47 4.03,48 1.426,49 4.163,50 2.397,51 2.397,52 10.503,54 56.857,55 12.247,56 0.386,57 7.838,58 4.2,59 5.524,60 2,61 0.84,62 1.801,63 9,64 1.097,66 5.368,67 -1.381,68 1.383,69 6.509}
{0 CHEMBL378705,1 1,2 1,3 3.271,4 6.575,5 6.575,6 3.863,7 1,8 1,9 10.471,10 10.471,11 10.471,12 6.111,13 11.389,14 4.112,15 4.112,16 2.614,17 17.434,18 17.626,20 1,21 3.788,22 3.788,23 1,24 42.683,25 1,27 5.788,28 0.361,29 3.145,30 3.145,31 5.145,32 3.145,33 5.165,35 2.656,36 7.139,37 4.238,38 2.059,40 0.951,41 4.565,42 4.565,43 2,44 1.066,45 8.878,46 9.338,47 4.104,48 1.601,49 4.08,50 2.423,51 2.423,52 10.635,53 2.076,54 84.857,55 12.399,56 0.727,57 7.928,58 3.4,59 5.409,60 2,61 0.707,62 1.84,63 6,64 1.315,65 -0.842,66 5.441,67 -0.947,68 1.613,69 5}
{0 CHEMBL378881,1 1,2 1,3 3.644,4 6.91,5 6.91,6 4.687,7 1,8 1,9 11.545,10 11.545,11 11.545,12 7.027,13 45.673,14 4.227,15 4.227,16 2.658,17 18.936,18 10.594,19 2,20 2,21 3.81,22 3.81,23 1,24 60.694,25 1,26 1,27 5.81,28 0.366,29 3.242,30 3.242,31 5.242,32 3.242,33 5.301,35 3.235,36 8.181,37 5.057,38 2.011,40 0.854,41 4.598,42 4.598,43 2,44 0.883,45 10.01,46 8.915,47 4.612,48 1.63,49 4.163,50 2.612,51 2.612,52 11.861,54 66.334,55 13.726,56 0.386,57 8.948,58 6,59 5.525,60 2,61 0.832,62 1.807,63 8,64 1.082,66 6.391,67 -1.482,68 1.55,69 5}
{0 CHEMBL379123,1 1,2 1,3 3.103,4 6.309,5 6.309,6 3.909,7 1,8 1,9 9.689,10 9.689,11 9.689,12 6.111,13 10.609,14 4.019,15 4.019,16 2.673,17 16.156,18 34.018,21 3.627,22 3.627,23 1,24 42.683,25 1,27 5.627,28 0.27,29 3.02,30 3.02,31 5.02,32 3.02,33 5.09,35 2.699,36 7.143,37 4.238,38 2.122,40 0.503,41 4.392,42 4.392,44 0.934,45 8.879,46 8.699,47 4.104,48 1.388,49 4.044,50 2.423,51 2.423,52 10.635,54 161.096,55 12.399,56 0.595,57 7.928,59 5.236,60 2,61 0.319,62 1.974,63 7,64 0.948,66 5.457,67 -1.007,68 1.393,69 6.013}
{0 CHEMBL379145,1 1,2 1,3 4.46,4 7.111,5 7.111,6 6.581,7 1,8 1,9 11.659,10 11.659,11 11.659,12 10.099,13 10.949,14 4.183,15 4.183,16 5.734,17 18.578,18 19.583,20 1,21 4.468,22 4.468,23 1,24 42.683,25 1,26 1,27 6.468,28 0.298,29 3.317,30 3.317,31 5.317,32 3.317,33 5.298,34 1,35 4.271,36 11.689,37 7.423,38 2.116,40 0.828,41 4.477,42 4.477,44 0.824,45 14.304,46 8.969,47 7.098,48 1.437,49 4.333,50 3.825,51 3.825,52 16.937,54 132.667,55 19.583,56 0.595,57 12.775,59 5.318,60 1,61 0.88,62 1.98,63 10,64 0.738,66 9.103,67 -0.984,68 1.387,69 6.796}
{0 CHEMBL379851,1 1,2 1,3 4.46,4 7.111,5 7.111,6 6.214,7 1,8 1,9 11.659,10 11.659,11 11.659,12 10.1,13 10.715,14 4.183,15 4.183,16 5.744,17 18.578,18 19.13,20 1,21 4.46,22 4.46,23 1,24 42.683,25 1,27 6.46,28 0.305,29 3.317,30 3.317,31 5.317,32 3.317,33 5.256,35 3.999,36 11.441,37 7.424,38 2.119,40 0.834,41 4.477,42 4.477,44 0.785,45 14.115,46 8.767,47 5.506,48 1.459,49 4.333,50 3.825,51 3.825,52 16.795,54 132.667,55 19.477,56 0.615,57 12.775,59 5.324,60 2,61 0.943,62 1.992,63 10,64 0.817,66 8.787,67 -1.116,68 1.455,69 7.155}
{0 CHEMBL380070,1 1,2 1,3 3.249,4 6.559,5 6.559,6 3.839,7 1,8 1,9 10.412,10 10.412,11 10.412,12 6.111,13 11.393,14 4.099,15 4.099,16 2.606,17 17.273,18 16.374,20 1,21 3.788,22 3.788,23 1,24 42.683,25 1,27 5.788,28 0.39,29 3.132,30 3.132,31 5.132,32 3.132,33 5.152,35 2.546,36 7.138,37 4.238,38 2.061,40 0.916,41 4.563,42 4.563,43 1,44 1.088,45 8.878,46 9.343,47 4.104,48 1.601,49 4.089,50 2.423,51 2.423,52 10.635,53 2.117,54 75.381,55 12.399,56 0.728,57 7.928,58 3.3,59 5.407,60 2,61 0.766,62 1.84,63 7,64 1.274,65 -0.832,66 5.437,67 -0.939,68 1.613,69 5.602}
{0 CHEMBL380232,1 1,2 1,3 3.633,4 6.93,5 6.93,6 3.824,7 1,8 1,9 11.652,10 11.652,11 11.652,12 6.05,13 23.818,14 4.239,15 4.239,16 2.634,17 19.062,18 9.664,20 1,21 3.648,22 3.648,23 1,24 60.694,25 1,26 1,27 5.648,28 0.352,29 3.252,30 3.252,31 5.252,32 3.252,33 5.314,35 2.654,36 7.046,37 4.213,38 2.011,40 0.912,41 4.606,42 4.606,43 2,44 1.011,45 8.766,46 8.952,47 4.03,48 1.448,49 4.171,50 2.397,51 2.397,52 10.503,54 56.857,55 12.247,56 0.495,57 7.838,58 3.9,59 5.533,60 2,61 0.777,62 1.873,63 9,64 1.114,66 5.368,67 -1.361,68 1.427,69 6.959}
{0 CHEMBL380404,1 1,2 1,3 3.284,4 6.566,5 6.566,6 3.839,7 1,8 1,9 10.435,10 10.435,11 10.435,12 6.111,13 11.354,14 4.108,15 4.108,16 2.633,17 17.347,18 16.163,20 1,21 3.788,22 3.788,23 1,24 42.683,25 1,27 5.788,28 0.375,29 3.141,30 3.141,31 5.141,32 3.141,33 5.16,35 2.546,36 7.138,37 4.238,38 2.059,40 0.955,41 4.565,42 4.565,43 1,44 0.999,45 8.878,46 9.306,47 4.104,48 1.601,49 4.061,50 2.423,51 2.423,52 10.635,53 1.982,54 84.857,55 12.399,56 0.727,57 7.928,58 3.7,59 5.408,60 2,61 0.634,62 1.84,63 6,64 1.132,65 -0.862,66 5.437,67 -0.966,68 1.613,69 5}
{0 CHEMBL380837,1 1,2 1,3 3.3,4 7.224,5 7.224,6 3.905,7 1,8 1,9 12.054,10 12.054,11 12.054,12 6.111,13 11.208,14 4.305,15 4.305,16 2.723,17 18.938,18 17.54,19 1,20 1,21 4.099,22 4.099,23 1,24 42.683,25 1,27 6.099,28 0.258,29 3.352,30 3.352,31 5.352,32 3.352,33 5.406,34 1,35 2.812,36 7.14,37 4.238,38 1.992,40 1.333,41 4.44,42 4.44,43 1,44 0.851,45 8.878,46 9.177,47 4.104,48 1.293,49 4.026,50 2.423,51 2.423,52 10.635,54 104.239,55 12.399,56 0.469,57 7.928,59 5.36,60 1,61 1.11,62 1.912,63 7,64 1.072,66 5.448,67 -1.056,68 1.308,69 5.588}
{0 CHEMBL381066,1 1,2 1,3 4.437,4 6.7,5 6.7,6 6.409,7 1,8 1,9 10.888,10 10.888,11 10.888,12 10.464,13 10.744,14 4.143,15 4.143,16 6.108,17 18.045,18 20.494,21 4.437,22 4.437,23 1,24 42.683,25 1,27 6.437,28 0.294,29 3.165,30 3.165,31 5.165,32 3.165,33 5.217,35 4.107,36 11.858,37 7.677,38 2.115,40 0.464,41 4.504,42 4.504,44 0.575,45 14.64,46 8.791,47 5.712,48 1.54,49 4.204,50 4.032,51 4.032,52 17.426,54 132.667,55 20.214,56 0.618,57 13.247,59 5.346,60 3,61 0.469,62 1.956,63 10,64 0.862,66 9.093,67 -1.109,68 1.486,69 5}
{0 CHEMBL381477,1 1,2 1,3 3.3,4 6.075,5 6.075,6 3.712,7 1,8 1,9 8.802,10 8.802,11 8.802,12 5.889,13 11.326,14 3.807,15 3.807,16 2.419,17 15.066,18 18.381,21 3.73,22 3.73,23 1,24 42.683,25 1,26 1,27 5.73,28 0.278,29 2.887,30 2.887,31 4.887,32 2.887,33 4.901,35 2.639,36 6.85,37 4.112,38 2.065,40 1.137,41 4.255,42 4.255,44 0.933,45 8.526,46 9.306,47 3.925,48 1.597,49 4.012,50 2.341,51 2.341,52 10.216,54 104.239,55 11.912,56 0.826,57 7.625,59 5.174,60 2,61 0.855,62 1.938,63 7,64 1.059,65 -0.357,66 5.215,67 -0.752,68 1.607,69 5.947}
{0 CHEMBL382178,1 1,2 1,3 4.011,4 7.408,5 7.408,6 5.764,7 1,8 1,9 12.812,10 12.812,11 12.812,12 9.778,13 11.426,14 4.407,15 4.407,16 6.035,17 19.691,18 10.718,21 4.437,22 4.437,23 1,24 42.683,25 1,26 1,27 6.437,28 0.211,29 3.407,30 3.407,31 5.407,32 3.407,33 5.501,35 3.569,36 11.169,37 7.008,38 2.073,40 0.86,41 4.484,42 4.484,44 0.573,45 13.948,46 9.377,47 5.616,48 1.503,49 4.077,50 4.032,51 4.032,52 16.733,54 66.334,55 19.521,56 0.503,57 12.556,59 5.403,60 2,61 0.469,62 1.912,63 5,64 1.027,66 8.415,67 -0.821,68 1.386,69 6.13}
{0 CHEMBL382655,1 1,2 1,3 3.729,4 7.236,5 7.236,6 5.585,7 1,8 1,9 12.155,10 12.155,11 12.155,12 9.418,13 23.497,14 4.25,15 4.25,16 6.098,17 19.604,18 7.003,20 1,21 4.474,22 4.474,23 1,24 60.694,25 1,26 1,27 6.474,28 0.336,29 3.375,30 3.375,31 5.375,32 3.375,33 5.264,35 3.516,36 10.755,37 6.762,38 2.069,40 0.916,41 4.548,42 4.548,44 0.687,45 13.424,46 9.216,47 5.409,48 1.453,49 4.086,50 3.825,51 3.825,52 16.102,54 56.857,55 18.784,56 0.549,57 12.086,58 2,59 5.433,60 2,61 0.864,62 1.898,63 6,64 0.96,65 -0.559,66 8.115,67 -1.667,68 1.445,69 6.116}
{0 CHEMBL382789,1 1,2 1,3 4.471,4 7.307,5 7.307,6 6.202,7 1,8 1,9 12.573,10 12.573,11 12.573,12 10.099,13 10.89,14 4.355,15 4.355,16 5.953,17 20.47,18 6.156,19 1,21 4.472,22 4.472,23 1,24 42.683,25 1,26 1,27 6.472,28 0.309,29 3.441,30 3.441,31 5.441,32 3.441,33 5.428,34 1,35 3.963,36 11.44,37 7.423,38 2.051,40 0.666,41 4.746,42 4.746,43 1,44 0.96,45 14.114,46 8.87,47 5.458,48 1.613,49 4.267,50 3.825,51 3.825,52 16.795,53 -0.134,54 47.381,55 19.477,56 0.6,57 12.775,58 3.3,59 5.672,61 0.885,62 1.873,63 6,64 0.989,66 8.784,67 -1.362,68 1.554,69 6.268}
{0 CHEMBL383011,1 1,2 1,3 3.3,4 6.43,5 6.43,6 3.712,7 1,8 1,9 9.866,10 9.866,11 9.866,12 5.889,13 11.57,14 4.003,15 4.003,16 2.37,17 16.273,18 18.512,21 3.758,22 3.758,23 1,24 42.683,25 1,26 1,27 5.758,28 0.3,29 3.002,30 3.002,31 5.002,32 3.002,33 5.097,35 2.639,36 6.85,37 4.112,38 2.139,40 1.096,41 4.255,42 4.255,44 0.932,45 8.526,46 9.51,47 3.925,48 1.61,49 4.012,50 2.341,51 2.341,52 10.216,54 104.239,55 11.912,56 0.845,57 7.625,59 5.255,60 2,61 0.837,62 1.984,63 7,64 1.025,65 -0.001,66 5.215,67 -0.704,68 1.598,69 5.87}
{0 CHEMBL383132,1 1,2 1,3 3.584,4 6.712,5 6.712,6 3.747,7 1,8 1,9 10.91,10 10.91,11 10.91,12 5.985,13 23.761,14 4.124,15 4.124,16 2.55,17 18.067,18 30.071,19 1,20 1,21 3.632,22 3.632,23 1,24 42.683,25 1,27 5.632,28 0.316,29 3.161,30 3.161,31 5.161,32 3.161,33 5.219,34 1,35 2.57,36 6.963,37 4.173,38 2.152,40 0.978,41 4.611,42 4.611,43 1,44 0.975,45 8.666,46 9.065,47 3.984,48 1.593,49 4.218,50 2.374,51 2.374,52 10.384,53 3.705,54 151.191,55 12.108,56 0.703,57 7.75,58 1.6,59 5.528,60 1,61 0.562,62 2.007,63 4,64 1.078,66 5.297,67 -0.877,68 1.601,69 5}
{0 CHEMBL383313,1 1,2 1,3 4.46,4 7.111,5 7.111,6 6.214,7 1,8 1,9 11.659,10 11.659,11 11.659,12 10.1,13 10.73,14 4.181,15 4.181,16 5.785,17 18.578,18 14.693,21 4.46,22 4.46,23 1,24 42.683,25 1,27 6.46,28 0.308,29 3.317,30 3.317,31 5.317,32 3.317,33 5.267,35 3.999,36 11.441,37 7.424,38 2.058,40 0.909,41 4.477,42 4.477,44 0.512,45 14.115,46 8.777,47 5.506,48 1.476,49 4.332,50 3.825,51 3.825,52 16.795,54 113.715,55 19.477,56 0.596,57 12.775,58 3.3,59 5.322,60 3,61 0.609,62 1.99,63 10,64 0.888,66 8.787,67 -1.129,68 1.479,69 7.523}
{0 CHEMBL383404,1 1,2 1,3 3.63,4 7.111,5 7.111,6 5.62,7 1,8 1,9 11.659,10 11.659,11 11.659,12 9.425,13 10.757,14 4.178,15 4.178,16 5.658,17 18.566,18 23.421,21 4.46,22 4.46,23 1,24 42.683,25 1,27 6.46,28 0.314,29 3.316,30 3.316,31 5.316,32 3.316,33 5.251,35 3.589,36 10.761,37 6.771,38 2.116,40 0.776,41 4.466,42 4.466,44 0.779,45 13.427,46 8.809,47 5.506,48 1.512,49 4.243,50 3.825,51 3.825,52 16.104,54 132.667,55 18.785,56 0.631,57 12.09,59 5.31,60 3,61 0.761,62 1.985,63 10,64 0.887,66 8.129,67 -1.065,68 1.53,69 7.155}
{0 CHEMBL383646,1 1,2 1,3 3.637,4 7.307,5 7.307,6 5.593,7 1,8 1,9 12.573,10 12.573,11 12.573,12 9.423,13 10.846,14 4.355,15 4.355,16 5.838,17 20.47,18 7.99,19 1,21 4.471,22 4.471,23 1,24 42.683,25 1,26 1,27 6.471,28 0.322,29 3.441,30 3.441,31 5.441,32 3.441,33 5.428,34 1,35 3.489,36 10.759,37 6.77,38 2.047,40 0.544,41 4.746,42 4.746,43 1,44 0.933,45 13.426,46 8.895,47 5.458,48 1.604,49 4.267,50 3.825,51 3.825,52 16.103,53 0.033,54 47.381,55 18.784,56 0.586,57 12.089,58 3.5,59 5.672,60 1,61 0.865,62 1.872,63 6,64 1.047,66 8.122,67 -0.926,68 1.551,69 7.31}
{0 CHEMBL383728,1 1,2 1,3 3.636,4 7.307,5 7.307,6 5.592,7 1,8 1,9 12.573,10 12.573,11 12.573,12 9.423,13 10.905,14 4.355,15 4.355,16 5.828,17 20.47,18 12.363,19 1,21 4.471,22 4.471,23 1,24 42.683,25 1,26 1,27 6.471,28 0.327,29 3.441,30 3.441,31 5.441,32 3.441,33 5.434,34 1,35 3.46,36 10.759,37 6.769,38 2.057,40 0.534,41 4.746,42 4.746,43 1,44 0.877,45 13.426,46 8.951,47 5.458,48 1.615,49 4.267,50 3.825,51 3.825,52 16.103,53 2.032,54 65.905,55 18.784,56 0.706,57 12.089,58 3.6,59 5.653,60 1,61 0.961,62 1.895,63 4,64 0.987,66 8.122,67 -0.869,68 1.587,69 7.244}
{0 CHEMBL384203,1 1,2 1,3 3.788,4 7.111,5 7.111,6 5.604,7 1,8 1,9 11.659,10 11.659,11 11.659,12 9.425,13 11.434,14 4.188,15 4.188,16 5.652,17 18.676,18 12.496,20 1,21 4.46,22 4.46,23 1,24 42.683,25 1,27 6.46,28 0.369,29 3.316,30 3.316,31 5.316,32 3.316,33 5.24,35 3.484,36 10.761,37 6.771,38 2.064,40 0.889,41 4.652,42 4.652,43 1,44 0.639,45 13.427,46 9.366,47 5.506,48 1.615,49 4.353,50 3.825,51 3.825,52 16.104,53 1.945,54 75.381,55 18.785,56 0.785,57 12.09,58 3.3,59 5.495,60 2,61 0.562,62 1.854,63 7,64 1.034,65 -0.902,66 8.128,67 -0.994,68 1.629,69 5.222}
{0 CHEMBL384746,1 1,2 1,3 3.585,4 6.712,5 6.712,6 3.859,7 1,8 1,9 10.913,10 10.913,11 10.913,12 6.111,13 23.823,14 4.166,15 4.166,16 2.666,17 18.165,18 28.923,19 1,20 1,21 3.63,22 3.63,23 1,24 42.683,25 1,27 5.63,28 0.318,29 3.171,30 3.171,31 5.171,32 3.171,33 5.242,34 1,35 2.617,36 7.139,37 4.238,38 2.166,40 0.863,41 4.608,42 4.608,43 1,44 1.015,45 8.878,46 8.92,47 4.104,48 1.683,49 4.277,50 2.423,51 2.423,52 10.635,53 4.039,54 141.715,55 12.399,56 0.738,57 7.928,58 1.4,59 5.516,60 2,61 0.764,62 2.012,63 5,64 1.113,66 5.441,67 -0.978,68 1.652,69 5}
{0 CHEMBL384762,1 1,2 1,3 3.37,4 6.866,5 6.866,6 3.845,7 1,8 1,9 11.447,10 11.447,11 11.447,12 6.05,13 11.034,14 4.221,15 4.221,16 2.599,17 18.965,18 19.623,21 3.637,22 3.637,23 1,24 42.683,25 1,26 1,27 5.637,28 0.32,29 3.238,30 3.238,31 5.238,32 3.238,33 5.322,35 2.682,36 7.048,37 4.213,38 2.032,40 0.668,41 4.594,42 4.594,43 2,44 0.955,45 8.767,46 9.048,47 4.03,48 1.511,49 4.215,50 2.397,51 2.397,52 10.503,54 104.239,55 12.247,56 0.659,57 7.838,58 1.8,59 5.521,60 2,61 0.688,62 1.918,63 10,64 1.011,66 5.377,67 -0.933,68 1.503,69 6.721}
{0 CHEMBL38508,1 1,2 1,3 4.439,4 7.236,5 7.236,6 6.216,7 1,8 1,9 12.156,10 12.156,11 12.156,12 9.425,13 10.621,14 4.251,15 4.251,16 5.991,17 19.615,18 8.211,21 4.474,22 4.474,23 1,24 42.683,25 1,27 6.474,28 0.34,29 3.376,30 3.376,31 5.376,32 3.376,33 5.422,35 3.979,36 11.204,37 6.771,38 1.992,40 0.674,41 4.559,42 4.559,44 0.744,45 13.774,46 8.701,47 7.098,48 1.409,49 4.242,50 3.825,51 3.825,52 16.371,54 56.857,55 18.987,56 0.582,57 12.09,58 2.1,59 5.406,60 3,61 0.85,62 1.757,63 9,64 0.825,66 8.673,67 -1.053,68 1.43,69 9}
{0 CHEMBL387023,1 1,2 1,3 3.246,4 6.559,5 6.559,6 3.839,7 1,8 1,9 10.41,10 10.41,11 10.41,12 6.111,13 11.402,14 4.096,15 4.096,16 2.606,17 17.27,18 18.438,20 1,21 3.788,22 3.788,23 1,24 42.683,25 1,27 5.788,28 0.377,29 3.13,30 3.13,31 5.13,32 3.13,33 5.149,35 2.546,36 7.138,37 4.238,38 2.071,40 0.929,41 4.563,42 4.563,43 1,44 1.125,45 8.878,46 9.35,47 4.104,48 1.626,49 4.068,50 2.423,51 2.423,52 10.635,53 2.117,54 84.857,55 12.399,56 0.861,57 7.928,58 3.2,59 5.406,60 2,61 0.905,62 1.84,63 6,64 1.282,65 -0.349,66 5.437,67 -0.939,68 1.637,69 5.602}
{0 CHEMBL387203,1 1,2 1,3 3.63,4 6.967,5 6.967,6 3.824,7 1,8 1,9 11.81,10 11.81,11 11.81,12 6.05,13 24.256,14 4.268,15 4.268,16 2.632,17 19.206,18 16.375,19 1,20 3,21 3.641,22 3.641,23 1,24 60.694,25 1,26 1,27 5.641,28 0.339,29 3.273,30 3.273,31 5.273,32 3.273,33 5.343,35 2.654,36 7.046,37 4.213,38 2.041,40 0.88,41 4.628,42 4.628,43 3,44 0.948,45 8.766,46 9.096,47 4.03,48 1.586,49 4.12,50 2.397,51 2.397,52 10.503,54 97.026,55 12.247,56 0.57,57 7.838,58 3.8,59 5.556,60 1,61 1.009,62 1.784,63 9,64 1.065,66 5.368,67 -1.426,68 1.57,69 7.046}
{0 CHEMBL387261,1 1,2 1,3 3.585,4 6.712,5 6.712,6 3.859,7 1,8 1,9 10.913,10 10.913,11 10.913,12 6.111,13 23.762,14 4.166,15 4.166,16 2.667,17 18.165,18 28.978,19 1,20 1,21 3.628,22 3.628,23 1,24 42.683,25 1,27 5.628,28 0.318,29 3.171,30 3.171,31 5.171,32 3.171,33 5.242,34 1,35 2.617,36 7.139,37 4.238,38 2.166,40 0.856,41 4.603,42 4.603,43 1,44 1.037,45 8.878,46 8.871,47 4.104,48 1.69,49 4.277,50 2.423,51 2.423,52 10.635,53 4.219,54 141.715,55 12.399,56 0.735,57 7.928,58 1.4,59 5.51,60 1,61 0.66,62 2.013,63 5,64 1.113,66 5.441,67 -0.979,68 1.652,69 5.156}
{0 CHEMBL387350,1 1,2 1,3 3.283,4 6.546,5 6.546,6 3.712,7 1,8 1,9 10.357,10 10.357,11 10.357,12 5.889,13 11.056,14 4.092,15 4.092,16 2.404,17 17.144,18 14.252,21 3.63,22 3.63,23 1,24 42.683,25 1,26 1,27 5.63,28 0.296,29 3.095,30 3.095,31 5.095,32 3.095,33 5.204,35 2.639,36 6.85,37 4.112,38 2.047,40 0.838,41 4.38,42 4.38,44 1.098,45 8.526,46 9.091,47 3.925,48 1.722,49 4.09,50 2.341,51 2.341,52 10.216,54 64.507,55 11.912,56 0.942,57 7.625,58 1.5,59 5.306,60 2,61 0.436,62 1.886,63 8,64 1.178,65 0.121,66 5.215,67 -0.737,68 1.758,69 8.699}
{0 CHEMBL387914,1 1,2 1,3 3.729,4 7.119,5 7.119,6 5.585,7 1,8 1,9 11.704,10 11.704,11 11.704,12 9.418,13 23.492,14 4.202,15 4.202,16 5.962,17 18.781,18 6.7,20 1,21 4.461,22 4.461,23 1,24 60.694,25 1,26 1,27 6.461,28 0.336,29 3.33,30 3.33,31 5.33,32 3.33,33 5.217,35 3.516,36 10.755,37 6.762,38 2.069,40 1.042,41 4.502,42 4.502,44 0.692,45 13.424,46 9.215,47 5.409,48 1.453,49 4.188,50 3.825,51 3.825,52 16.102,54 56.857,55 18.784,56 0.549,57 12.086,58 2,59 5.388,60 2,61 0.928,62 1.898,63 6,64 0.96,65 -0.568,66 8.115,67 -1.799,68 1.445,69 7.608}
{0 CHEMBL388540,1 1,2 1,3 3.089,4 6.501,5 6.501,6 3.822,7 1,8 1,9 10.183,10 10.183,11 10.183,12 6.05,13 10.767,14 4.017,15 4.017,16 2.509,17 16.928,18 23.488,19 1,21 3.635,22 3.635,23 1,24 42.683,25 1,26 1,27 5.635,28 0.264,29 3.021,30 3.021,31 5.021,32 3.021,33 5.068,34 1,35 2.575,36 7.048,37 4.213,38 2.059,40 0.568,41 4.387,42 4.387,43 1,44 0.79,45 8.767,46 8.845,47 4.03,48 1.113,49 3.929,50 2.397,51 2.397,52 10.503,54 123.191,55 12.247,56 0.312,57 7.838,59 5.178,61 0.492,62 1.896,63 6,64 0.893,66 5.373,67 0.243,68 1.117,69 5.959}
{0 CHEMBL38943,1 1,2 1,3 4.439,4 7.111,5 7.111,6 6.216,7 1,8 1,9 11.659,10 11.659,11 11.659,12 9.425,13 10.623,14 4.176,15 4.176,16 5.606,17 18.576,18 10.549,21 4.46,22 4.46,23 1,24 42.683,25 1,27 6.46,28 0.312,29 3.316,30 3.316,31 5.316,32 3.316,33 5.347,35 3.979,36 11.204,37 6.771,38 1.999,40 0.831,41 4.47,42 4.47,44 0.745,45 13.774,46 8.706,47 7.098,48 1.409,49 4.242,50 3.825,51 3.825,52 16.371,54 66.334,55 18.987,56 0.583,57 12.09,58 2.1,59 5.317,60 3,61 0.533,62 1.757,63 8,64 0.841,66 8.673,67 -1.03,68 1.43,69 8.531}
{0 CHEMBL389768,1 1,2 1,3 4.42,4 7.111,5 7.111,6 6.052,7 1,8 1,9 11.657,10 11.657,11 11.657,12 9.425,13 10.61,14 4.17,15 4.17,16 5.63,17 18.533,18 9.981,21 4.46,22 4.46,23 1,24 42.683,25 1,27 6.46,28 0.253,29 3.313,30 3.313,31 5.313,32 3.313,33 5.298,35 3.959,36 10.979,37 6.771,38 1.996,40 0.834,41 4.439,42 4.439,44 0.723,45 13.564,46 8.693,47 6.775,48 1.433,49 3.83,50 3.825,51 3.825,52 16.188,54 66.334,55 18.836,56 0.618,57 12.09,59 5.355,60 3,61 0.718,62 1.844,63 5,64 0.979,65 -0.259,66 8.457,67 -1.041,68 1.457,69 7.602}
{0 CHEMBL389769,1 1,2 1,3 4.42,4 7.111,5 7.111,6 6.052,7 1,8 1,9 11.657,10 11.657,11 11.657,12 9.425,13 10.634,14 4.17,15 4.17,16 5.631,17 18.533,18 10.03,21 4.46,22 4.46,23 1,24 42.683,25 1,27 6.46,28 0.244,29 3.313,30 3.313,31 5.313,32 3.313,33 5.3,35 3.959,36 10.979,37 6.771,38 1.996,40 0.829,41 4.439,42 4.439,44 0.671,45 13.564,46 8.714,47 6.775,48 1.437,49 3.831,50 3.825,51 3.825,52 16.188,54 66.334,55 18.836,56 0.618,57 12.09,59 5.355,60 3,61 0.706,62 1.914,63 5,64 0.993,65 -0.254,66 8.457,67 -1.04,68 1.458,69 8.367}
{0 CHEMBL389903,1 1,2 1,3 3.729,4 7.111,5 7.111,6 5.585,7 1,8 1,9 11.658,10 11.658,11 11.658,12 9.418,13 23.805,14 4.175,15 4.175,16 5.716,17 18.551,18 9.377,20 2,21 4.46,22 4.46,23 1,24 60.694,25 1,26 1,27 6.46,28 0.274,29 3.315,30 3.315,31 5.315,32 3.315,33 5.214,35 3.516,36 10.755,37 6.762,38 2.071,40 1.077,41 4.448,42 4.448,44 0.711,45 13.424,46 9.322,47 5.409,48 1.489,49 4.081,50 3.825,51 3.825,52 16.102,54 66.334,55 18.784,56 0.709,57 12.086,58 1.7,59 5.343,60 2,61 0.764,62 1.959,63 5,64 1.026,65 -0.517,66 8.115,67 -1.381,68 1.506,69 8.319}
{0 CHEMBL390004,1 1,2 1,3 4.416,4 7.111,5 7.111,6 6.049,7 1,8 1,9 11.657,10 11.657,11 11.657,12 9.425,13 10.562,14 4.17,15 4.17,16 5.602,17 18.533,18 10.175,21 4.46,22 4.46,23 1,24 42.683,25 1,27 6.46,28 0.269,29 3.313,30 3.313,31 5.313,32 3.313,33 5.293,35 3.931,36 10.979,37 6.771,38 2.003,40 0.798,41 4.439,42 4.439,44 0.646,45 13.564,46 8.657,47 6.775,48 1.405,49 3.828,50 3.825,51 3.825,52 16.188,54 66.334,55 18.836,56 0.492,57 12.09,59 5.355,60 3,61 0.813,62 1.899,63 5,64 0.928,65 0.176,66 8.457,67 -1.028,68 1.365,69 8.131}
{0 CHEMBL390005,1 1,2 1,3 4.416,4 7.111,5 7.111,6 6.049,7 1,8 1,9 11.657,10 11.657,11 11.657,12 9.425,13 10.595,14 4.17,15 4.17,16 5.604,17 18.533,18 10.261,21 4.46,22 4.46,23 1,24 42.683,25 1,27 6.46,28 0.259,29 3.313,30 3.313,31 5.313,32 3.313,33 5.295,35 3.931,36 10.979,37 6.771,38 2.011,40 0.776,41 4.439,42 4.439,44 0.703,45 13.564,46 8.684,47 6.775,48 1.418,49 3.83,50 3.825,51 3.825,52 16.188,54 66.334,55 18.836,56 0.614,57 12.09,59 5.355,60 3,61 0.68,62 1.942,63 5,64 0.944,65 0.227,66 8.457,67 -1.026,68 1.455,69 7.102}
{0 CHEMBL390116,1 1,2 1,3 3.73,4 7.111,5 7.111,6 5.585,7 1,8 1,9 11.658,10 11.658,11 11.658,12 9.418,13 23.861,14 4.175,15 4.175,16 5.715,17 18.551,18 9.258,20 1,21 4.46,22 4.46,23 1,24 60.694,25 1,26 1,27 6.46,28 0.284,29 3.315,30 3.315,31 5.315,32 3.315,33 5.189,34 1,35 3.516,36 10.755,37 6.762,38 2.077,40 1.049,41 4.448,42 4.448,44 0.653,45 13.424,46 9.451,47 5.409,48 1.503,49 4.081,50 3.825,51 3.825,52 16.102,54 66.334,55 18.784,56 0.595,57 12.086,58 1.8,59 5.34,60 3,61 0.84,62 1.968,63 5,64 1.014,65 -0.497,66 8.115,67 -1.367,68 1.519,69 6.155}
{0 CHEMBL390199,1 1,2 1,3 4.42,4 7.111,5 7.111,6 6.528,7 1,8 1,9 11.657,10 11.657,11 11.657,12 9.425,13 10.645,14 4.171,15 4.171,16 5.578,17 18.533,18 10.805,21 4.46,22 4.46,23 1,24 42.683,25 1,27 6.46,28 0.236,29 3.313,30 3.313,31 5.313,32 3.313,33 5.305,35 4.296,36 11.436,37 6.771,38 2.059,40 0.748,41 4.439,42 4.439,44 0.772,45 13.969,46 8.724,47 7.204,48 1.441,49 3.831,50 3.825,51 3.825,52 16.534,54 66.334,55 19.124,56 0.699,57 12.09,59 5.355,60 3,61 0.661,62 1.82,63 5,64 0.926,65 -0.053,66 8.946,67 -1.028,68 1.477,69 7.818}
{0 CHEMBL391068,1 1,2 1,3 3.149,4 6.546,5 6.546,6 3.822,7 1,8 1,9 10.357,10 10.357,11 10.357,12 6.05,13 10.869,14 4.093,15 4.093,16 2.569,17 17.145,18 15.816,21 3.645,22 3.645,23 1,24 42.683,25 1,26 1,27 5.645,28 0.352,29 3.096,30 3.096,31 5.096,32 3.096,33 5.173,35 2.575,36 7.048,37 4.213,38 2.005,40 0.72,41 4.552,42 4.552,43 1,44 0.923,45 8.767,46 8.919,47 4.03,48 1.429,49 3.881,50 2.397,51 2.397,52 10.503,53 1.335,54 87.549,55 12.247,56 0.274,57 7.838,58 2.4,59 5.386,60 2,61 0.411,62 1.728,63 6,64 0.972,66 5.373,67 -0.902,68 1.368,69 6.491}
{0 CHEMBL391084,1 1,2 1,3 3.646,4 7.111,5 7.111,6 5.601,7 1,8 1,9 11.659,10 11.659,11 11.659,12 9.423,13 11.044,14 4.176,15 4.176,16 5.619,17 18.576,18 10.664,20 1,21 4.46,22 4.46,23 1,24 42.683,25 1,26 1,27 6.46,28 0.357,29 3.316,30 3.316,31 5.316,32 3.316,33 5.327,35 3.496,36 10.759,37 6.769,38 2.022,40 0.819,41 4.592,42 4.592,44 0.787,45 13.426,46 9.064,47 5.458,48 1.402,49 4.357,50 3.825,51 3.825,52 16.103,53 1.87,54 64.507,55 18.784,56 0.635,57 12.089,58 2,59 5.435,60 2,61 0.772,62 1.768,63 8,64 0.805,66 8.123,67 -0.868,68 1.451,69 6.625}
{0 CHEMBL391085,1 1,2 1,3 3.26,4 6.786,5 6.786,6 3.822,7 1,8 1,9 11.138,10 11.138,11 11.138,12 6.05,13 11.027,14 4.167,15 4.167,16 2.498,17 18.029,18 14.919,21 3.649,22 3.649,23 1,24 42.683,25 1,26 1,27 5.649,28 0.363,29 3.197,30 3.197,31 5.197,32 3.197,33 5.283,35 2.575,36 7.048,37 4.213,38 2.026,40 0.611,41 4.643,42 4.643,44 0.875,45 8.767,46 9.056,47 4.03,48 1.412,49 3.882,50 2.397,51 2.397,52 10.503,53 2,54 73.983,55 12.247,56 0.396,57 7.838,58 2.3,59 5.479,60 3,61 0.407,62 1.711,63 7,64 0.883,66 5.373,67 -0.832,68 1.371,69 7.638}
{0 CHEMBL391180,1 1,2 1,3 3.25,4 6.389,5 6.389,6 3.681,7 1,8 1,9 9.957,10 9.957,11 9.957,12 5.89,13 10.726,14 3.98,15 3.98,16 2.457,17 16.631,18 23.645,21 3.6,22 3.6,23 1,24 42.683,25 1,26 1,27 5.6,28 0.278,29 3.079,30 3.079,31 5.079,32 3.079,33 5.122,35 2.529,36 6.85,37 4.12,38 2.048,40 0.855,41 4.508,42 4.508,44 0.981,45 8.526,46 8.817,47 3.925,48 1.418,49 3.973,50 2.341,51 2.341,52 10.216,53 1.994,54 113.715,55 11.912,56 0.654,57 7.625,58 3.6,59 5.429,60 2,61 0.47,62 1.934,63 5,64 1.125,66 5.21,67 -0.791,68 1.431,69 5.866}
{0 CHEMBL391264,1 1,2 1,3 3.236,4 6.53,5 6.53,6 3.685,7 1,8 1,9 10.317,10 10.317,11 10.317,12 5.889,13 10.765,14 4.045,15 4.045,16 2.451,17 17.133,18 17.499,21 3.601,22 3.601,23 1,24 42.683,25 1,26 1,27 5.601,28 0.307,29 3.063,30 3.063,31 5.063,32 3.063,33 5.135,35 2.527,36 6.85,37 4.112,38 2.064,40 0.813,41 4.418,42 4.418,44 0.998,45 8.526,46 8.849,47 3.925,48 1.586,49 3.789,50 2.341,51 2.341,52 10.216,54 87.549,55 11.912,56 0.692,57 7.625,59 5.34,60 3,61 0.305,62 1.905,63 7,64 1.183,65 -0.03,66 5.21,67 -0.784,68 1.594,69 6.399}
{0 CHEMBL391283,1 1,2 1,3 3.235,4 6.529,5 6.529,6 3.685,7 1,8 1,9 10.314,10 10.314,11 10.314,12 5.889,13 10.781,14 4.04,15 4.04,16 2.449,17 17.119,18 19.744,21 3.601,22 3.601,23 1,24 42.683,25 1,26 1,27 5.601,28 0.295,29 3.059,30 3.059,31 5.059,32 3.059,33 5.128,35 2.527,36 6.85,37 4.112,38 2.079,40 0.805,41 4.413,42 4.413,44 1.093,45 8.526,46 8.863,47 3.925,48 1.584,49 3.775,50 2.341,51 2.341,52 10.216,54 75.81,55 11.912,56 0.754,57 7.625,58 1.6,59 5.335,60 3,61 0.322,62 1.907,63 7,64 1.196,65 -0.015,66 5.21,67 -0.782,68 1.619,69 8.301}
{0 CHEMBL39129,1 1,2 1,3 3.635,4 7.111,5 7.111,6 5.601,7 1,8 1,9 11.659,10 11.659,11 11.659,12 9.423,13 10.696,14 4.176,15 4.176,16 5.615,17 18.576,18 11.686,19 1,21 4.46,22 4.46,23 1,24 42.683,25 1,26 1,27 6.46,28 0.306,29 3.316,30 3.316,31 5.316,32 3.316,33 5.316,35 3.496,36 10.759,37 6.769,38 2.022,40 0.853,41 4.47,42 4.47,43 1,44 0.843,45 13.426,46 8.777,47 5.458,48 1.369,49 4.059,50 3.825,51 3.825,52 16.103,54 75.81,55 18.784,56 0.395,57 12.089,58 2.3,59 5.31,61 0.593,62 1.766,63 7,64 0.85,66 8.123,67 -0.898,68 1.339,69 5.721}
{0 CHEMBL391457,1 1,2 1,3 3.645,4 7.111,5 7.111,6 5.601,7 1,8 1,9 11.659,10 11.659,11 11.659,12 9.423,13 10.916,14 4.177,15 4.177,16 5.642,17 18.562,18 13.44,21 4.46,22 4.46,23 1,24 42.683,25 1,26 1,27 6.46,28 0.323,29 3.315,30 3.315,31 5.315,32 3.315,33 5.292,35 3.496,36 10.759,37 6.769,38 2.013,40 0.878,41 4.552,42 4.552,44 0.828,45 13.426,46 8.957,47 5.458,48 1.302,49 4.252,50 3.825,51 3.825,52 16.103,53 1.787,54 83.459,55 18.784,56 0.403,57 12.089,58 2.3,59 5.386,60 2,61 0.883,62 1.713,63 6,64 0.772,66 8.123,67 -0.884,68 1.313,69 6.516}
{0 CHEMBL391470,1 1,2 1,3 3.236,4 6.53,5 6.53,6 3.685,7 1,8 1,9 10.317,10 10.317,11 10.317,12 5.889,13 10.762,14 4.036,15 4.036,16 2.455,17 17.133,18 15.041,21 3.601,22 3.601,23 1,24 42.683,25 1,26 1,27 5.601,28 0.309,29 3.063,30 3.063,31 5.063,32 3.063,33 5.128,35 2.527,36 6.85,37 4.112,38 2.064,40 0.808,41 4.418,42 4.418,44 0.914,45 8.526,46 8.846,47 3.925,48 1.562,49 3.789,50 2.341,51 2.341,52 10.216,54 68.597,55 11.912,56 0.69,57 7.625,58 1.7,59 5.34,60 3,61 0.327,62 1.905,63 7,64 1.261,65 -0.058,66 5.21,67 -0.788,68 1.548,69 7.301}
{0 CHEMBL391478,1 1,2 1,3 4.46,4 7.111,5 7.111,6 6.223,7 1,8 1,9 11.657,10 11.657,11 11.657,12 9.425,13 10.669,14 4.171,15 4.171,16 5.605,17 18.533,18 15.75,20 1,21 4.469,22 4.469,23 1,24 42.683,25 1,27 6.469,28 0.286,29 3.313,30 3.313,31 5.313,32 3.313,33 5.293,35 4.027,36 11.205,37 6.771,38 2.037,40 0.81,41 4.439,42 4.439,44 0.684,45 13.774,46 8.739,47 7.098,48 1.393,49 4.044,50 3.825,51 3.825,52 16.371,54 94.762,55 18.987,56 0.621,57 12.09,59 5.292,60 2,61 0.39,62 1.955,63 8,64 0.853,66 8.674,67 -1.059,68 1.439,69 6.427}
{0 CHEMBL391479,1 1,2 1,3 4.46,4 7.111,5 7.111,6 6.225,7 1,8 1,9 11.657,10 11.657,11 11.657,12 9.425,13 10.954,14 4.171,15 4.171,16 5.604,17 19.168,18 14.446,19 1,20 1,21 4.469,22 4.469,23 1,24 42.683,25 1,27 6.469,28 0.297,29 3.313,30 3.313,31 5.313,32 3.313,33 5.299,35 4.053,36 11.205,37 6.771,38 2.05,40 0.774,41 4.562,42 4.562,43 1,44 0.643,45 13.774,46 8.976,47 7.098,48 1.545,49 4.046,50 3.825,51 3.825,52 16.371,54 85.286,55 18.987,56 0.691,57 12.09,59 5.511,60 3,61 0.513,62 1.986,63 9,64 0.894,66 8.674,67 -1.023,68 1.511,69 6.504}
{0 CHEMBL391620,1 1,2 1,3 3.307,4 6.378,5 6.378,6 3.879,7 1,8 1,9 9.913,10 9.913,11 9.913,12 6.112,13 11.347,14 4.022,15 4.022,16 2.683,17 16.576,18 18.068,20 1,21 3.787,22 3.787,23 1,24 42.683,25 1,27 5.787,28 0.327,29 3.064,30 3.064,31 5.064,32 3.064,33 5.094,35 2.721,36 7.139,37 4.245,38 2.03,40 0.888,41 4.486,42 4.486,43 2,44 0.911,45 8.878,46 9.294,47 4.104,48 1.581,49 4.117,50 2.423,51 2.423,52 10.635,53 1.375,54 104.239,55 12.399,56 0.714,57 7.928,58 3.2,59 5.423,60 2,61 0.81,62 1.949,63 6,64 1.101,65 -0.929,66 5.444,67 -1.017,68 1.557,69 5.886}
{0 CHEMBL391622,1 1,2 1,3 3.236,4 6.378,5 6.378,6 3.879,7 1,8 1,9 9.913,10 9.913,11 9.913,12 6.112,13 11.351,14 4.022,15 4.022,16 2.639,17 16.576,18 24.862,20 1,21 3.787,22 3.787,23 1,24 42.683,25 1,27 5.787,28 0.276,29 3.064,30 3.064,31 5.064,32 3.064,33 5.09,35 2.721,36 7.139,37 4.245,38 2.031,40 1.121,41 4.486,42 4.486,43 2,44 1.098,45 8.878,46 9.304,47 4.104,48 1.58,49 3.897,50 2.423,51 2.423,52 10.635,53 1.528,54 123.191,55 12.399,56 0.715,57 7.928,58 3.2,59 5.421,60 2,61 0.915,62 1.993,63 4,64 1.295,65 -0.876,66 5.444,67 -0.973,68 1.559,69 5.793}
{0 CHEMBL392058,1 1,2 1,3 4.1,4 7.228,5 7.228,6 5.618,7 1,8 1,9 12.079,10 12.079,11 12.079,12 9.425,13 23.579,14 4.312,15 4.312,16 5.712,17 19.081,18 15.958,20 2,21 4.46,22 4.46,23 1,24 60.694,25 1,27 6.46,28 0.283,29 3.36,30 3.36,31 5.36,32 3.36,33 5.398,34 1,35 3.592,36 10.761,37 6.771,38 2.043,40 1.203,41 4.462,42 4.462,43 1,44 0.577,45 13.427,46 9.235,47 5.506,48 1.424,49 4.202,50 3.825,51 3.825,52 16.104,54 104.239,55 18.785,56 0.592,57 12.09,58 1.7,59 5.337,60 3,61 0.611,62 1.977,63 7,64 0.953,66 8.129,67 -1.583,68 1.46,69 7.022}
{0 CHEMBL392063,1 1,2 1,3 3.236,4 6.53,5 6.53,6 3.685,7 1,8 1,9 10.317,10 10.317,11 10.317,12 5.889,13 10.771,14 4.04,15 4.04,16 2.444,17 17.133,18 18.621,21 3.601,22 3.601,23 1,24 42.683,25 1,26 1,27 5.601,28 0.297,29 3.063,30 3.063,31 5.063,32 3.063,33 5.138,35 2.527,36 6.85,37 4.112,38 2.064,40 0.82,41 4.418,42 4.418,44 1.073,45 8.526,46 8.855,47 3.925,48 1.487,49 3.789,50 2.341,51 2.341,52 10.216,54 81.632,55 11.912,56 0.692,57 7.625,59 5.34,60 3,61 0.276,62 1.905,63 7,64 1.077,65 0.015,66 5.21,67 -0.778,68 1.514,69 7.377}
{0 CHEMBL392456,1 1,2 1,3 3.236,4 6.378,5 6.378,6 3.681,7 1,8 1,9 9.911,10 9.911,11 9.911,12 5.89,13 10.916,14 3.962,15 3.962,16 2.439,17 16.569,18 24.577,20 1,21 3.601,22 3.601,23 1,24 42.683,25 1,26 1,27 5.601,28 0.273,29 3.063,30 3.063,31 5.063,32 3.063,33 5.099,35 2.529,36 6.85,37 4.12,38 2.074,40 0.828,41 4.486,42 4.486,44 1,45 8.526,46 8.973,47 3.925,48 1.607,49 3.959,50 2.341,51 2.341,52 10.216,53 2.192,54 113.715,55 11.912,56 0.794,57 7.625,58 3.3,59 5.407,60 3,61 0.868,62 1.98,63 5,64 1.149,66 5.21,67 -0.772,68 1.634,69 5.527}
{0 CHEMBL392474,1 1,2 1,3 3.283,4 6.546,5 6.546,6 3.669,7 1,8 1,9 10.357,10 10.357,11 10.357,12 5.89,13 11.042,14 4.092,15 4.092,16 2.4,17 17.144,18 18.199,21 3.63,22 3.63,23 1,24 42.683,25 1,26 1,27 5.63,28 0.312,29 3.095,30 3.095,31 5.095,32 3.095,33 5.171,35 2.485,36 6.849,37 4.117,38 2.066,40 0.809,41 4.378,42 4.378,44 1.093,45 8.526,46 9.08,47 3.925,48 1.596,49 3.971,50 2.341,51 2.341,52 10.216,54 75.81,55 11.912,56 0.799,57 7.625,58 4.7,59 5.304,60 2,61 0.369,62 1.925,63 7,64 1.314,65 0.127,66 5.207,67 -0.734,68 1.634,69 7.602}
{0 CHEMBL392717,1 1,2 1,3 4.1,4 7.228,5 7.228,6 5.618,7 1,8 1,9 12.079,10 12.079,11 12.079,12 9.425,13 23.545,14 4.312,15 4.312,16 6.005,17 19.156,18 9.722,20 2,21 4.461,22 4.461,23 1,24 60.694,25 1,27 6.461,28 0.333,29 3.36,30 3.36,31 5.36,32 3.36,33 5.4,34 1,35 3.592,36 10.761,37 6.771,38 2.028,40 1.078,41 4.502,42 4.502,43 1,44 0.681,45 13.427,46 9.22,47 5.506,48 1.424,49 4.235,50 3.825,51 3.825,52 16.104,54 85.286,55 18.785,56 0.59,57 12.09,58 1.7,59 5.38,60 3,61 0.85,62 1.954,63 9,64 0.911,66 8.129,67 -2.124,68 1.46,69 7.319}
{0 CHEMBL392718,1 1,2 1,3 3.578,4 6.545,5 6.545,6 3.728,7 1,8 1,9 10.338,10 10.338,11 10.338,12 5.889,13 23.383,14 4.087,15 4.087,16 2.48,17 17.11,18 20.359,20 3,21 3.601,22 3.601,23 1,24 77.48,25 1,26 1,27 5.601,28 0.347,29 3.12,30 3.12,31 5.12,32 3.12,33 5.157,34 2,35 2.626,36 6.853,37 4.112,38 2.069,40 1.088,41 4.574,42 4.574,43 1,44 1.034,45 8.527,46 8.87,47 3.925,48 1.48,49 4.073,50 2.341,51 2.341,52 10.216,53 1.622,54 104.239,55 11.912,56 0.624,57 7.625,58 3.6,59 5.453,60 3,61 0.4,62 1.988,63 7,64 1.061,66 5.223,67 -1.034,68 1.487,69 5.886}
{0 CHEMBL392810,1 1,2 1,3 3.275,4 6.557,5 6.557,6 3.879,7 1,8 2,9 10.403,10 10.403,11 10.403,12 6.112,13 11.358,14 4.093,15 4.093,16 2.663,17 17.21,18 21.963,20 3,21 3.787,22 3.787,23 2,24 85.367,25 1,27 5.787,28 0.301,29 3.133,30 3.133,31 5.133,32 3.133,33 5.162,34 1,35 2.721,36 7.139,37 4.245,38 2.031,40 1.033,41 4.568,42 4.568,43 2,44 1.113,45 8.878,46 19.465,47 4.104,48 1.582,49 3.9,50 2.423,51 2.423,52 10.635,53 0.896,54 113.715,55 12.399,56 0.715,57 7.928,58 3.2,59 5.503,60 2,61 0.927,62 1.965,63 5,64 1.282,65 -0.906,66 5.444,67 -0.996,68 1.559,69 5.721}
{0 CHEMBL392949,1 1,2 1,3 3.631,4 7.111,5 7.111,6 5.632,7 1,8 1,9 11.657,10 11.657,11 11.657,12 6.111,13 10.843,14 4.313,15 4.313,16 2.615,17 18.86,18 20.935,20 2,21 4.465,22 4.465,23 1,24 42.683,25 1,27 6.465,28 0.27,29 3.313,30 3.313,31 5.313,32 3.313,33 5.439,35 3.591,36 10.224,37 4.238,38 2.098,40 0.478,41 4.493,42 4.493,44 1.126,45 12.574,46 8.898,47 6.545,48 1.672,49 4.045,50 3.272,51 3.272,52 14.933,54 94.762,55 17.298,56 0.707,57 7.928,59 5.381,60 3,61 1.326,62 1.945,63 8,64 1.039,66 7.897,67 -0.948,68 1.636,69 6.702}
{0 CHEMBL392950,1 1,2 1,3 4.465,4 7.252,5 7.252,6 6.223,7 1,8 1,9 12.267,10 12.267,11 12.267,12 9.425,13 10.806,14 4.267,15 4.267,16 5.914,17 19.761,18 13.391,20 2,21 4.472,22 4.472,23 1,24 42.683,25 1,27 6.472,28 0.307,29 3.384,30 3.384,31 5.384,32 3.384,33 5.394,35 4.027,36 11.205,37 6.771,38 2.024,40 0.77,41 4.555,42 4.555,44 0.806,45 13.774,46 8.857,47 7.098,48 1.457,49 4.04,50 3.825,51 3.825,52 16.371,54 85.286,55 18.987,56 0.671,57 12.09,59 5.443,60 3,61 0.999,62 1.944,63 9,64 0.83,66 8.674,67 -1.013,68 1.458,69 5.764}
{0 CHEMBL392951,1 1,2 1,3 4.46,4 7.111,5 7.111,6 6.223,7 1,8 1,9 11.657,10 11.657,11 11.657,12 9.425,13 10.84,14 4.171,15 4.171,16 5.671,17 18.862,18 12.846,20 2,21 4.467,22 4.467,23 1,24 42.683,25 1,27 6.467,28 0.307,29 3.313,30 3.313,31 5.313,32 3.313,33 5.303,35 4.027,36 11.205,37 6.771,38 2.031,40 0.821,41 4.495,42 4.495,44 0.792,45 13.774,46 8.881,47 7.098,48 1.535,49 4.347,50 3.825,51 3.825,52 16.371,54 85.286,55 18.987,56 0.659,57 12.09,59 5.39,60 3,61 0.827,62 1.94,63 9,64 0.83,66 8.674,67 -1.037,68 1.488,69 6.955}
{0 CHEMBL393186,1 1,2 1,3 3.629,4 6.142,5 6.142,6 5.663,7 1,8 1,9 9.051,10 9.051,11 9.051,12 6.234,13 10.678,14 3.858,15 3.858,16 2.649,17 15.305,18 24.015,21 4.424,22 4.424,23 1,24 42.683,25 1,27 6.424,28 0.24,29 2.875,30 2.875,31 4.875,32 2.875,33 4.963,35 3.653,36 10.228,37 4.457,38 2.049,40 0.545,41 4.265,42 4.265,44 0.927,45 12.575,46 8.759,47 6.545,48 1.412,49 4.017,50 3.272,51 3.272,52 14.933,54 132.667,55 17.298,56 0.648,57 7.995,59 5.087,60 3,61 0.381,62 1.984,63 6,64 0.889,65 -0.002,66 7.909,67 -0.983,68 1.465,69 6.796}
{0 CHEMBL393373,1 1,2 1,3 3.631,4 7.111,5 7.111,6 5.597,7 1,8 1,9 11.657,10 11.657,11 11.657,12 9.421,13 10.917,14 4.17,15 4.17,16 5.632,17 18.535,18 20.539,21 4.46,22 4.46,23 1,24 42.683,25 1,27 6.46,28 0.302,29 3.314,30 3.314,31 5.314,32 3.314,33 5.257,35 3.529,36 10.757,37 6.766,38 2.038,40 0.855,41 4.552,42 4.552,44 0.694,45 13.425,46 8.956,47 5.436,48 1.456,49 4.075,50 3.825,51 3.825,52 16.103,53 1.688,54 122.762,55 18.784,56 0.498,57 12.087,58 2,59 5.385,60 2,61 0.495,62 1.956,63 5,64 0.913,66 8.12,67 -0.909,68 1.41,69 5.551}
{0 CHEMBL393593,1 1,2 1,3 3.283,4 6.546,5 6.546,6 3.669,7 1,8 1,9 10.357,10 10.357,11 10.357,12 5.89,13 11.051,14 4.092,15 4.092,16 2.401,17 17.144,18 16.209,21 3.63,22 3.63,23 1,24 42.683,25 1,26 1,27 5.63,28 0.344,29 3.095,30 3.095,31 5.095,32 3.095,33 5.171,35 2.485,36 6.849,37 4.117,38 2.057,40 0.829,41 4.385,42 4.385,44 1.07,45 8.526,46 9.088,47 3.925,48 1.542,49 4.062,50 2.341,51 2.341,52 10.216,54 66.334,55 11.912,56 0.716,57 7.625,58 4.7,59 5.313,60 2,61 0.342,62 1.936,63 8,64 1.314,65 0.126,66 5.207,67 -0.734,68 1.554,69 8.046}
{0 CHEMBL393765,1 1,2 1,3 3.653,4 7.111,5 7.111,6 5.601,7 1,8 1,9 11.659,10 11.659,11 11.659,12 9.423,13 10.984,14 4.177,15 4.177,16 5.654,17 18.562,18 11.268,21 4.46,22 4.46,23 1,24 42.683,25 1,26 1,27 6.46,28 0.342,29 3.315,30 3.315,31 5.315,32 3.315,33 5.293,35 3.496,36 10.759,37 6.769,38 2.013,40 0.881,41 4.643,42 4.643,44 0.832,45 13.426,46 9.005,47 5.458,48 1.296,49 4.252,50 3.825,51 3.825,52 16.103,53 1.483,54 73.983,55 18.784,56 0.386,57 12.089,58 2.3,59 5.479,60 3,61 0.894,62 1.712,63 7,64 0.767,66 8.123,67 -0.939,68 1.303,69 5.627}
{0 CHEMBL393766,1 1,2 1,3 3.645,4 7.111,5 7.111,6 5.614,7 1,8 1,9 11.657,10 11.657,11 11.657,12 9.423,13 10.945,14 4.17,15 4.17,16 5.64,17 18.533,18 18.599,21 4.46,22 4.46,23 1,24 42.683,25 1,26 1,27 6.46,28 0.3,29 3.313,30 3.313,31 5.313,32 3.313,33 5.251,35 3.573,36 10.759,37 6.769,38 2.055,40 0.838,41 4.552,42 4.552,44 0.821,45 13.426,46 8.975,47 5.458,48 1.441,49 4.202,50 3.825,51 3.825,52 16.103,53 1.248,54 115.978,55 18.784,56 0.589,57 12.089,59 5.421,60 2,61 0.686,62 1.975,63 6,64 0.861,66 8.125,67 -0.937,68 1.423,69 5.506}
{0 CHEMBL393767,1 1,2 1,3 3.631,4 7.111,5 7.111,6 5.593,7 1,8 1,9 11.659,10 11.659,11 11.659,12 9.421,13 10.89,14 4.177,15 4.177,16 5.644,17 18.562,18 14.976,21 4.46,22 4.46,23 1,24 42.683,25 1,27 6.46,28 0.326,29 3.315,30 3.315,31 5.315,32 3.315,33 5.261,35 3.484,36 10.757,37 6.766,38 2.016,40 0.863,41 4.552,42 4.552,44 0.809,45 13.425,46 8.932,47 5.436,48 1.461,49 4.252,50 3.825,51 3.825,52 16.103,53 1.607,54 94.334,55 18.784,56 0.444,57 12.087,58 4.4,59 5.386,60 2,61 0.876,62 1.762,63 5,64 0.909,66 8.12,67 -0.928,68 1.433,69 5.857}
{0 CHEMBL393777,1 1,2 1,3 3.283,4 6.546,5 6.546,6 3.696,7 1,8 1,9 10.357,10 10.357,11 10.357,12 5.89,13 11.069,14 4.092,15 4.092,16 2.405,17 17.144,18 15.76,21 3.63,22 3.63,23 1,24 42.683,25 1,26 1,27 5.63,28 0.327,29 3.095,30 3.095,31 5.095,32 3.095,33 5.172,35 2.601,36 6.85,37 4.117,38 2.027,40 0.862,41 4.386,42 4.386,44 1.155,45 8.526,46 9.102,47 3.925,48 1.682,49 4.075,50 2.341,51 2.341,52 10.216,54 66.334,55 11.912,56 0.917,57 7.625,58 4.4,59 5.313,60 2,61 0.413,62 1.925,63 8,64 1.363,65 0.119,66 5.212,67 -0.738,68 1.717,69 7.237}
{0 CHEMBL393778,1 1,2 1,3 3.283,4 6.546,5 6.546,6 3.669,7 1,8 1,9 10.357,10 10.357,11 10.357,12 5.89,13 11.038,14 4.092,15 4.092,16 2.416,17 17.144,18 13.955,21 3.63,22 3.63,23 1,24 42.683,25 1,26 1,27 5.63,28 0.349,29 3.095,30 3.095,31 5.095,32 3.095,33 5.171,35 2.485,36 6.849,37 4.117,38 2.022,40 0.774,41 4.385,42 4.385,44 1.044,45 8.526,46 9.074,47 3.925,48 1.541,49 4.062,50 2.341,51 2.341,52 10.216,54 66.334,55 11.912,56 0.716,57 7.625,58 4.9,59 5.313,60 2,61 0.467,62 1.92,63 8,64 1.19,65 0.108,66 5.207,67 -0.749,68 1.553,69 8.155}
{0 CHEMBL393805,1 1,2 1,3 3.283,4 6.546,5 6.546,6 3.685,7 1,8 1,9 10.357,10 10.357,11 10.357,12 5.889,13 10.989,14 4.092,15 4.092,16 2.407,17 17.144,18 11.641,21 3.63,22 3.63,23 1,24 42.683,25 1,26 1,27 5.63,28 0.334,29 3.095,30 3.095,31 5.095,32 3.095,33 5.203,35 2.527,36 6.85,37 4.112,38 2.003,40 0.868,41 4.391,42 4.391,44 0.864,45 8.526,46 9.036,47 3.925,48 1.528,49 3.986,50 2.341,51 2.341,52 10.216,54 47.381,55 11.912,56 0.706,57 7.625,58 3.5,59 5.312,60 2,61 0.358,62 1.884,63 8,64 1.169,65 0.123,66 5.21,67 -0.74,68 1.519,69 8.301}
{0 CHEMBL393926,1 1,2 1,3 3.235,4 6.529,5 6.529,6 3.685,7 1,8 1,9 10.314,10 10.314,11 10.314,12 5.889,13 10.784,14 4.04,15 4.04,16 2.446,17 17.119,18 22.568,21 3.601,22 3.601,23 1,24 42.683,25 1,26 1,27 5.601,28 0.293,29 3.059,30 3.059,31 5.059,32 3.059,33 5.129,35 2.527,36 6.85,37 4.112,38 2.097,40 0.815,41 4.413,42 4.413,44 1.06,45 8.526,46 8.866,47 3.925,48 1.588,49 3.775,50 2.341,51 2.341,52 10.216,54 104.239,55 11.912,56 0.801,57 7.625,59 5.335,60 3,61 0.283,62 1.946,63 7,64 1.122,65 0.001,66 5.21,67 -0.779,68 1.625,69 8.262}
{0 CHEMBL393938,1 1,2 1,3 4.1,4 7.228,5 7.228,6 5.618,7 1,8 1,9 12.079,10 12.079,11 12.079,12 9.425,13 23.725,14 4.312,15 4.312,16 5.806,17 19.156,18 14.394,20 2,21 4.461,22 4.461,23 1,24 60.694,25 1,27 6.461,28 0.301,29 3.36,30 3.36,31 5.36,32 3.36,33 5.399,34 1,35 3.592,36 10.761,37 6.771,38 2.04,40 1.191,41 4.501,42 4.501,43 1,44 0.572,45 13.427,46 9.242,47 5.506,48 1.422,49 4.207,50 3.825,51 3.825,52 16.104,54 94.762,55 18.785,56 0.592,57 12.09,58 1.7,59 5.379,60 3,61 0.641,62 1.959,63 8,64 0.949,66 8.129,67 -1.706,68 1.46,69 7.229}
{0 CHEMBL393939,1 1,2 1,3 3.593,4 7.228,5 7.228,6 3.917,7 1,8 1,9 12.079,10 12.079,11 12.079,12 6.111,13 23.852,14 4.312,15 4.312,16 2.705,17 19.081,18 18.478,20 2,21 4.1,22 4.1,23 1,24 60.694,25 1,27 6.1,28 0.321,29 3.36,30 3.36,31 5.36,32 3.36,33 5.398,34 1,35 2.802,36 7.142,37 4.238,38 2.067,40 1.45,41 4.462,42 4.462,43 1,44 0.83,45 8.879,46 9.26,47 4.104,48 1.488,49 4.201,50 2.423,51 2.423,52 10.635,54 94.762,55 12.399,56 0.673,57 7.928,58 1.6,59 5.339,60 3,61 0.53,62 1.982,63 8,64 1.153,66 5.454,67 -1.155,68 1.532,69 6.544}
{0 CHEMBL393940,1 1,2 1,3 3.591,4 7.228,5 7.228,6 3.917,7 1,8 1,9 12.079,10 12.079,11 12.079,12 6.111,13 23.728,14 4.312,15 4.312,16 2.705,17 19.081,18 20.157,20 2,21 4.1,22 4.1,23 1,24 60.694,25 1,27 6.1,28 0.299,29 3.36,30 3.36,31 5.36,32 3.36,33 5.398,34 1,35 2.802,36 7.142,37 4.238,38 2.054,40 1.503,41 4.462,42 4.462,43 1,44 0.854,45 8.879,46 9.249,47 4.104,48 1.418,49 4.201,50 2.423,51 2.423,52 10.635,54 104.239,55 12.399,56 0.604,57 7.928,58 1.7,59 5.338,60 3,61 0.532,62 1.981,63 7,64 1.141,66 5.454,67 -1.159,68 1.469,69 5.726}
{0 CHEMBL393987,1 1,2 1,3 3.519,4 6.142,5 6.142,6 4.129,7 1,8 1,9 9.052,10 9.052,11 9.052,12 6.234,13 10.659,14 3.858,15 3.858,16 2.674,17 15.306,18 17.592,21 3.63,22 3.63,23 1,24 42.683,25 1,27 5.63,28 0.273,29 2.875,30 2.875,31 4.875,32 2.875,33 4.933,35 2.986,36 7.228,37 4.457,38 2.028,40 0.587,41 4.29,42 4.29,44 0.898,45 8.928,46 8.74,47 4.104,48 1.54,49 4.091,50 2.423,51 2.423,52 10.662,54 104.239,55 12.414,56 0.687,57 7.995,59 5.112,60 3,61 0.337,62 1.783,63 7,64 0.954,65 -0.053,66 5.6,67 -1.007,68 1.581,69 6.658}
{0 CHEMBL393988,1 1,2 1,3 3.516,4 6.14,5 6.14,6 4.14,7 1,8 1,9 9.044,10 9.044,11 9.044,12 6.234,13 10.651,14 3.852,15 3.852,16 2.678,17 15.298,18 18.862,21 3.63,22 3.63,23 1,24 42.683,25 1,27 5.63,28 0.244,29 2.874,30 2.874,31 4.874,32 2.874,33 4.918,35 3.044,36 7.228,37 4.457,38 2.031,40 0.562,41 4.244,42 4.244,44 0.92,45 8.928,46 8.733,47 4.104,48 1.568,49 3.958,50 2.423,51 2.423,52 10.662,54 103.81,55 12.414,56 0.623,57 7.995,58 3.6,59 5.066,60 3,61 0.396,62 1.795,63 5,64 1.104,65 -0.073,66 5.601,67 -1.011,68 1.582,69 5}
{0 CHEMBL394296,1 1,2 1,3 3.236,4 6.378,5 6.378,6 3.879,7 1,8 1,9 9.913,10 9.913,11 9.913,12 6.112,13 11.351,14 4.022,15 4.022,16 2.639,17 16.576,18 24.862,20 1,21 3.787,22 3.787,23 1,24 42.683,25 1,27 5.787,28 0.276,29 3.064,30 3.064,31 5.064,32 3.064,33 5.09,35 2.721,36 7.139,37 4.245,38 2.031,40 1.121,41 4.486,42 4.486,43 2,44 1.098,45 8.878,46 9.304,47 4.104,48 1.58,49 3.897,50 2.423,51 2.423,52 10.635,53 1.528,54 123.191,55 12.399,56 0.715,57 7.928,58 3.2,59 5.421,60 2,61 0.915,62 1.993,63 4,64 1.295,65 -0.876,66 5.444,67 -0.973,68 1.559,69 5.78}
{0 CHEMBL395558,1 1,2 1,3 4.42,4 7.111,5 7.111,6 6.067,7 1,8 1,9 11.657,10 11.657,11 11.657,12 9.425,13 10.624,14 4.17,15 4.17,16 5.647,17 18.533,18 9.831,21 4.46,22 4.46,23 1,24 42.683,25 1,27 6.46,28 0.247,29 3.313,30 3.313,31 5.313,32 3.313,33 5.298,35 4.014,36 10.98,37 6.771,38 1.995,40 0.83,41 4.439,42 4.439,44 0.683,45 13.565,46 8.703,47 6.775,48 1.436,49 3.831,50 3.825,51 3.825,52 16.188,54 66.334,55 18.836,56 0.617,57 12.09,59 5.355,60 3,61 0.766,62 1.781,63 5,64 1.014,65 -0.379,66 8.46,67 -1.052,68 1.458,69 8.201}
{0 CHEMBL395560,1 1,2 1,3 4.1,4 7.228,5 7.228,6 5.795,7 1,8 1,9 12.079,10 12.079,11 12.079,12 9.783,13 11.226,14 4.312,15 4.312,16 6,17 19.079,18 10.265,21 4.437,22 4.437,23 1,24 42.683,25 1,27 6.437,28 0.273,29 3.36,30 3.36,31 5.36,32 3.36,33 5.418,35 3.633,36 11.173,37 7.016,38 2.01,40 0.899,41 4.462,42 4.462,44 0.595,45 13.95,46 9.188,47 5.712,48 1.395,49 4.178,50 4.032,51 4.032,52 16.734,54 66.334,55 19.521,56 0.469,57 12.558,58 3.9,59 5.311,60 3,61 0.562,62 1.859,63 7,64 1.026,66 8.426,67 -1.077,68 1.413,69 7.921}
{0 CHEMBL395924,1 1,2 1,3 3.192,4 7.224,5 7.224,6 3.869,7 1,8 1,9 12.054,10 12.054,11 12.054,12 6.112,13 11.378,14 4.305,15 4.305,16 2.672,17 18.938,18 25.019,20 2,21 4.099,22 4.099,23 1,24 42.683,25 1,27 6.099,28 0.237,29 3.352,30 3.352,31 5.352,32 3.352,33 5.381,35 2.684,36 7.139,37 4.243,38 2.056,40 1.522,41 4.484,42 4.484,43 1,44 1.186,45 8.878,46 9.323,47 4.104,48 1.604,49 4.026,50 2.423,51 2.423,52 10.635,53 1.574,54 123.191,55 12.399,56 0.92,57 7.928,58 3.1,59 5.424,60 2,61 0.912,62 1.993,63 4,64 1.301,66 5.442,67 -1.005,68 1.634,69 6.097}
{0 CHEMBL396154,1 1,2 1,3 3.148,4 5.968,5 5.968,6 3.952,7 1,8 1,9 8.468,10 8.468,11 8.468,12 6.111,13 11.226,14 3.814,15 3.814,16 2.623,17 14.468,18 13.216,21 3.788,22 3.788,23 1,24 42.683,25 1,27 5.788,28 0.3,29 2.855,30 2.855,31 4.855,32 2.855,33 4.869,35 2.88,36 7.144,37 4.238,38 2.039,40 0.86,41 4.225,42 4.225,43 3,44 1.088,45 8.88,46 9.204,47 4.104,48 1.639,49 3.852,50 2.423,51 2.423,52 10.635,54 85.286,55 12.399,56 0.853,57 7.928,59 5.073,60 2,61 0.276,62 1.886,63 5,64 1.326,65 -0.687,66 5.464,67 -0.956,68 1.66,69 5.222}
{0 CHEMBL396496,1 1,2 1,3 4.437,4 7.228,5 7.228,6 6.318,7 1,8 1,9 12.079,10 12.079,11 12.079,12 9.783,13 11.247,14 4.312,15 4.312,16 5.986,17 19.079,18 10.859,21 4.437,22 4.437,23 1,24 42.683,25 1,27 6.437,28 0.264,29 3.36,30 3.36,31 5.36,32 3.36,33 5.457,35 4.036,36 11.488,37 7.016,38 1.999,40 0.891,41 4.462,42 4.462,44 0.569,45 14.17,46 9.209,47 7.305,48 1.394,49 4.178,50 4.032,51 4.032,52 16.885,54 66.334,55 19.623,56 0.469,57 12.558,58 3.9,59 5.311,60 3,61 0.518,62 1.857,63 7,64 0.958,66 8.856,67 -1.051,68 1.412,69 8.523}
{0 CHEMBL39687,1 1,2 1,3 3.6,4 7.111,5 7.111,6 5.584,7 1,8 1,9 11.659,10 11.659,11 11.659,12 9.418,13 10.605,14 4.178,15 4.178,16 5.646,17 18.576,18 11.648,21 4.46,22 4.46,23 1,24 42.683,25 1,26 1,27 6.46,28 0.306,29 3.316,30 3.316,31 5.316,32 3.316,33 5.251,35 3.467,36 10.755,37 6.762,38 2.041,40 0.977,41 4.47,42 4.47,44 0.619,45 13.424,46 8.708,47 5.409,48 1.39,49 4.042,50 3.825,51 3.825,52 16.102,54 75.81,55 18.784,56 0.341,57 12.086,58 2.1,59 5.317,60 2,61 0.519,62 1.785,63 7,64 0.937,66 8.115,67 -0.852,68 1.35,69 7.134}
{0 CHEMBL397218,1 2,2 2,3 4.42,4 7.111,5 7.111,6 6.151,7 2,8 2,9 11.657,10 11.657,11 11.657,12 9.461,13 21.456,14 4.17,15 4.17,16 5.7,17 18.533,18 9.299,21 4.46,22 4.46,23 2,24 85.367,25 2,27 6.46,28 0.275,29 3.313,30 3.313,31 5.313,32 3.313,33 5.302,34 4,35 4.129,36 11,37 6.847,38 1.995,40 0.744,41 4.439,42 4.439,44 0.697,45 13.574,46 17.552,47 6.775,48 1.433,49 3.831,50 3.825,51 3.825,52 16.192,54 66.334,55 18.837,56 0.616,57 12.105,59 5.355,60 4,61 0.778,62 1.786,63 5,64 0.96,65 -0.651,66 8.504,67 -2.25,68 1.457,69 6.9}
{0 CHEMBL397331,1 1,2 1,3 3.048,4 5.968,5 5.968,6 3.952,7 1,8 1,9 8.443,10 8.443,11 8.443,12 6.111,13 11.16,14 3.787,15 3.787,16 2.624,17 14.443,18 12.971,21 3.788,22 3.788,23 1,24 42.683,25 1,27 5.788,28 0.269,29 2.819,30 2.819,31 4.819,32 2.819,33 4.838,35 2.88,36 7.144,37 4.238,38 2.038,40 0.947,41 4.21,42 4.21,43 3,44 0.975,45 8.88,46 9.15,47 4.104,48 1.558,49 3.852,50 2.423,51 2.423,52 10.635,54 85.286,55 12.399,56 0.584,57 7.928,59 5.058,60 2,61 0.271,62 1.818,63 5,64 1.296,65 -0.834,66 5.464,67 -0.957,68 1.565,69 4.886}
{0 CHEMBL397449,1 1,2 1,3 4.42,4 7.111,5 7.111,6 6.055,7 1,8 1,9 11.657,10 11.657,11 11.657,12 9.425,13 10.727,14 4.17,15 4.17,16 5.665,17 18.533,18 16.933,21 4.46,22 4.46,23 1,24 42.683,25 1,27 6.46,28 0.27,29 3.313,30 3.313,31 5.313,32 3.313,33 5.307,35 3.987,36 10.979,37 6.771,38 1.999,40 0.855,41 4.439,42 4.439,44 0.636,45 13.564,46 8.786,47 6.775,48 1.503,49 4.051,50 3.825,51 3.825,52 16.188,54 104.239,55 18.836,56 0.618,57 12.09,59 5.355,60 3,61 0.751,62 1.972,63 7,64 0.951,65 -0.436,66 8.457,67 -1.056,68 1.522,69 7.207}
{0 CHEMBL397970,1 1,2 1,3 4.418,4 7.111,5 7.111,6 6.049,7 2,8 1,9 11.657,10 11.657,11 11.657,12 9.425,13 10.534,14 4.17,15 4.17,16 5.652,17 18.533,18 9.486,20 2,21 4.46,22 4.46,23 2,24 85.367,25 1,27 6.46,28 0.272,29 3.313,30 3.313,31 5.313,32 3.313,33 5.294,35 3.931,36 10.979,37 6.771,38 1.995,40 0.825,41 4.439,42 4.439,44 0.661,45 13.564,46 18.638,47 6.775,48 1.4,49 3.828,50 3.825,51 3.825,52 16.188,54 109.017,55 18.836,56 0.485,57 12.09,59 5.355,60 3,61 1.002,62 1.763,63 5,64 0.908,65 -0.824,66 8.457,67 -1.061,68 1.341,69 7.102}
{0 CHEMBL398117,1 1,2 1,3 3.25,4 6.39,5 6.39,6 3.879,7 1,8 1,9 9.958,10 9.958,11 9.958,12 6.112,13 11.349,14 4.039,15 4.039,16 2.67,17 16.637,18 21.081,20 1,21 3.787,22 3.787,23 1,24 42.683,25 1,27 5.787,28 0.301,29 3.08,30 3.08,31 5.08,32 3.08,33 5.108,35 2.721,36 7.139,37 4.245,38 2.031,40 0.945,41 4.508,42 4.508,43 2,44 0.989,45 8.878,46 9.297,47 4.104,48 1.58,49 3.898,50 2.423,51 2.423,52 10.635,53 0.936,54 113.715,55 12.399,56 0.715,57 7.928,58 3.2,59 5.444,60 2,61 1.087,62 1.959,63 5,64 1.176,65 -0.913,66 5.444,67 -1.003,68 1.559,69 5.959}
{0 CHEMBL398118,1 1,2 1,3 3.312,4 6.557,5 6.557,6 3.879,7 1,8 1,9 10.403,10 10.403,11 10.403,12 6.112,13 11.348,14 4.093,15 4.093,16 2.675,17 17.21,18 21.413,20 1,21 3.787,22 3.787,23 1,24 42.683,25 1,27 5.787,28 0.301,29 3.133,30 3.133,31 5.133,32 3.133,33 5.161,35 2.721,36 7.139,37 4.245,38 2.031,40 1.008,41 4.568,42 4.568,43 2,44 1.087,45 8.878,46 9.296,47 4.104,48 1.581,49 3.9,50 2.423,51 2.423,52 10.635,53 0.548,54 113.715,55 12.399,56 0.715,57 7.928,58 3.2,59 5.503,60 2,61 0.968,62 1.962,63 5,64 1.176,65 -0.92,66 5.444,67 -1.008,68 1.558,69 5.097}
{0 CHEMBL39894,1 1,2 1,3 3.601,4 7.111,5 7.111,6 5.584,7 1,8 1,9 11.659,10 11.659,11 11.659,12 9.418,13 10.728,14 4.176,15 4.176,16 5.613,17 18.576,18 10.478,21 4.46,22 4.46,23 1,24 42.683,25 1,26 1,27 6.46,28 0.319,29 3.316,30 3.316,31 5.316,32 3.316,33 5.317,35 3.467,36 10.755,37 6.762,38 2.061,40 0.89,41 4.47,42 4.47,44 0.752,45 13.424,46 8.811,47 5.409,48 1.431,49 4.242,50 3.825,51 3.825,52 16.102,54 66.334,55 18.784,56 0.582,57 12.086,58 2,59 5.317,60 3,61 0.483,62 1.773,63 8,64 0.886,66 8.115,67 -0.834,68 1.431,69 7.373}
{0 CHEMBL399217,1 1,2 1,3 3.576,4 6.399,5 6.399,6 3.728,7 1,8 1,9 9.952,10 9.952,11 9.952,12 5.889,13 23.425,14 4.067,15 4.067,16 2.484,17 16.693,18 18.199,20 5,21 3.601,22 3.601,23 1,24 77.48,25 1,26 1,27 5.601,28 0.362,29 3.103,30 3.103,31 5.103,32 3.103,33 5.137,34 2,35 2.626,36 6.853,37 4.112,38 2.069,40 1.053,41 4.555,42 4.555,43 1,44 1.067,45 8.527,46 8.875,47 3.925,48 1.482,49 4.081,50 2.341,51 2.341,52 10.216,53 1.54,54 94.762,55 11.912,56 0.624,57 7.625,58 3.6,59 5.433,60 3,61 0.395,62 1.952,63 8,64 1.059,66 5.223,67 -1.065,68 1.489,69 7.229}
{0 CHEMBL399417,1 1,2 1,3 3.601,4 6.783,5 6.783,6 3.728,7 1,8 1,9 11.073,10 11.073,11 11.073,12 5.889,13 23.614,14 4.189,15 4.189,16 2.478,17 18.378,18 20.559,20 3,21 3.615,22 3.615,23 1,24 60.694,25 1,26 1,27 5.615,28 0.361,29 3.225,30 3.225,31 5.225,32 3.225,33 5.258,34 2,35 2.626,36 6.853,37 4.112,38 2.069,40 1.006,41 4.657,42 4.657,43 1,44 0.967,45 8.527,46 8.884,47 3.925,48 1.549,49 4.072,50 2.341,51 2.341,52 10.216,53 1.856,54 104.239,55 11.912,56 0.669,57 7.625,58 3.4,59 5.538,60 3,61 0.387,62 1.997,63 7,64 1.161,66 5.223,67 -0.984,68 1.553,69 7.06}
{0 CHEMBL400024,1 1,2 1,3 3.236,4 6.53,5 6.53,6 3.685,7 1,8 1,9 10.317,10 10.317,11 10.317,12 5.889,13 10.767,14 4.015,15 4.015,16 2.448,17 17.133,18 15.9,21 3.601,22 3.601,23 1,24 42.683,25 1,26 1,27 5.601,28 0.299,29 3.063,30 3.063,31 5.063,32 3.063,33 5.119,35 2.527,36 6.85,37 4.112,38 2.064,40 0.823,41 4.418,42 4.418,44 1.058,45 8.526,46 8.852,47 3.925,48 1.502,49 3.789,50 2.341,51 2.341,52 10.216,54 64.507,55 11.912,56 0.69,57 7.625,58 1.7,59 5.34,60 3,61 0.316,62 1.905,63 7,64 1.15,65 -0.012,66 5.21,67 -0.781,68 1.519,69 7.762}
{0 CHEMBL400300,1 1,2 1,3 4.46,4 7.111,5 7.111,6 6.054,7 1,8 1,9 11.657,10 11.657,11 11.657,12 9.426,13 10.998,14 4.171,15 4.171,16 5.658,17 18.887,18 12.188,20 2,21 4.578,22 4.578,23 1,24 42.683,25 1,27 6.578,28 0.272,29 3.313,30 3.313,31 5.313,32 3.313,33 5.312,35 3.972,36 10.979,37 6.772,38 2.017,40 0.776,41 4.502,42 4.502,44 0.818,45 13.564,46 9.011,47 6.775,48 1.671,49 4.322,50 3.825,51 3.825,52 16.188,54 75.81,55 18.836,56 0.825,57 12.09,58 2.9,59 5.502,60 3,61 0.661,62 1.947,63 9,64 0.941,66 8.457,67 -1.024,68 1.634,69 6.886}
{0 CHEMBL400625,1 1,2 1,3 4.437,4 7.228,5 7.228,6 6.216,7 1,8 1,9 12.079,10 12.079,11 12.079,12 9.425,13 11.236,14 4.312,15 4.312,16 5.621,17 19.079,18 10.286,21 4.46,22 4.46,23 1,24 42.683,25 1,27 6.46,28 0.27,29 3.36,30 3.36,31 5.36,32 3.36,33 5.456,35 3.979,36 11.204,37 6.771,38 2.001,40 1.176,41 4.462,42 4.462,44 0.622,45 13.774,46 9.2,47 7.098,48 1.396,49 4.254,50 3.825,51 3.825,52 16.371,54 66.334,55 18.987,56 0.469,57 12.09,58 4,59 5.311,60 3,61 0.626,62 1.857,63 7,64 0.926,66 8.673,67 -1.052,68 1.386,69 7.585}
{0 CHEMBL401236,1 1,2 1,3 3.601,4 6.788,5 6.788,6 3.728,7 1,8 1,9 11.096,10 11.096,11 11.096,12 5.889,13 23.993,14 4.183,15 4.183,16 2.511,17 18.431,18 15.369,20 4,21 3.639,22 3.639,23 1,24 60.694,25 1,26 1,27 5.639,28 0.387,29 3.23,30 3.23,31 5.23,32 3.23,33 5.307,34 2,35 2.626,36 6.853,37 4.112,38 2.077,40 0.792,41 4.66,42 4.66,43 1,44 1.042,45 8.527,46 8.97,47 3.925,48 1.614,49 4.22,50 2.341,51 2.341,52 10.216,53 1.916,54 85.286,55 11.912,56 0.818,57 7.625,58 1.6,59 5.545,60 3,61 0.896,62 1.981,63 9,64 0.936,65 -0.469,66 5.223,67 -1.082,68 1.649,69 8.228}
{0 CHEMBL401811,1 1,2 1,3 3.144,4 7.206,5 7.206,6 3.836,7 1,8 1,9 11.924,10 11.924,11 11.924,12 6.111,13 10.94,14 4.286,15 4.286,16 2.594,17 18.498,18 9.91,20 1,21 4.089,22 4.089,23 1,24 42.683,25 1,27 6.089,28 0.213,29 3.331,30 3.331,31 5.331,32 3.331,33 5.325,34 1,35 2.502,36 7.138,37 4.238,38 2.024,40 1.51,41 4.406,42 4.406,44 0.994,45 8.878,46 8.978,47 4.104,48 1.398,49 3.895,50 2.423,51 2.423,52 10.635,54 47.381,55 12.399,56 0.609,57 7.928,58 1.9,59 5.362,60 1,61 0.82,62 1.889,63 4,64 1.354,66 5.437,67 -0.928,68 1.385,69 4.523}
{0 CHEMBL402100,3 4.46,4 7.111,5 7.111,6 6.203,9 11.659,10 11.659,11 11.659,12 10.193,13 23.46,14 4.177,15 4.177,16 6.252,17 18.579,18 9.861,20 2,21 4.575,22 4.575,24 36.022,27 6.575,28 0.302,29 3.316,30 3.316,31 5.316,32 3.316,33 5.301,34 1,35 3.902,36 11.557,37 7.459,38 2.03,40 0.84,41 4.493,42 4.493,44 0.808,45 14.273,47 5.621,48 1.449,49 4.391,50 3.943,51 3.943,52 16.991,54 75.81,55 19.711,56 0.282,57 12.913,58 6.3,59 5.377,61 0.695,62 1.748,63 7,64 0.883,66 8.851,67 -2.55,68 1.389,69 5}
{0 CHEMBL402161,1 1,2 1,3 3.729,4 7.679,5 7.679,6 3.728,7 1,8 1,9 14.234,10 14.234,11 14.234,12 5.889,13 24.38,14 4.563,15 4.563,16 2.449,17 21.767,18 14.052,20 4,21 3.735,22 3.735,23 1,24 60.694,25 1,26 1,27 5.735,28 0.329,29 3.563,30 3.563,31 5.563,32 3.563,33 5.579,34 3,35 2.626,36 6.853,37 4.112,38 2.25,40 0.98,41 4.632,42 4.632,44 1.172,45 8.527,46 9.391,47 3.925,48 1.532,49 4.123,50 2.341,51 2.341,52 10.216,54 66.334,55 11.912,56 0.947,57 7.625,58 1.4,59 5.632,60 2,61 2.047,62 1.981,63 5,64 1.145,65 2.285,66 5.223,67 -0.887,68 1.552,69 5.959}
{0 CHEMBL402840,1 1,2 1,3 3.729,4 7.679,5 7.679,6 3.728,7 1,8 1,9 14.234,10 14.234,11 14.234,12 5.889,13 24.591,14 4.563,15 4.563,16 2.444,17 21.767,18 14.212,20 5,21 3.735,22 3.735,23 1,24 60.694,25 1,26 1,27 5.735,28 0.31,29 3.563,30 3.563,31 5.563,32 3.563,33 5.593,34 3,35 2.626,36 6.853,37 4.112,38 2.25,40 1.027,41 4.632,42 4.632,44 1.165,45 8.527,46 9.461,47 3.925,48 1.605,49 4.124,50 2.341,51 2.341,52 10.216,54 66.334,55 11.912,56 0.947,57 7.625,58 1.3,59 5.632,60 2,61 1.859,62 1.981,63 5,64 1.167,65 2.281,66 5.223,67 -0.874,68 1.604,69 6.904}
{0 CHEMBL402841,1 1,2 1,3 3.729,4 7.679,5 7.679,6 3.728,7 1,8 1,9 14.234,10 14.234,11 14.234,12 5.889,13 24.591,14 4.563,15 4.563,16 2.444,17 21.767,18 14.212,20 5,21 3.735,22 3.735,23 1,24 60.694,25 1,26 1,27 5.735,28 0.31,29 3.563,30 3.563,31 5.563,32 3.563,33 5.593,34 3,35 2.626,36 6.853,37 4.112,38 2.25,40 1.027,41 4.632,42 4.632,44 1.165,45 8.527,46 9.461,47 3.925,48 1.605,49 4.124,50 2.341,51 2.341,52 10.216,54 66.334,55 11.912,56 0.947,57 7.625,58 1.3,59 5.632,60 2,61 1.859,62 1.981,63 5,64 1.167,65 2.281,66 5.223,67 -0.874,68 1.604,69 6.658}
{0 CHEMBL404467,3 4.46,4 7.308,5 7.308,6 5.433,9 12.507,10 12.507,11 12.507,12 9.388,13 37.811,14 4.311,15 4.311,16 5.675,17 19.845,18 17.734,20 2,21 4.686,22 4.686,24 34.416,27 6.686,28 0.282,29 3.392,30 3.392,31 5.392,32 3.392,33 5.435,34 3,35 3.162,36 10.734,37 6.69,38 2.037,40 1.049,41 4.856,42 4.856,44 0.791,45 13.416,47 5.335,48 1.547,49 4.405,50 3.825,51 3.825,52 16.1,54 119.522,55 18.783,56 0.656,57 12.074,58 5.1,59 5.737,61 0.741,62 1.999,63 9,64 0.938,66 8.059,67 -0.364,68 1.552,69 5}
{0 CHEMBL40614,1 1,2 1,3 3.474,4 7.111,5 7.111,6 5.472,7 1,8 1,9 11.659,10 11.659,11 11.659,12 9.388,13 10.641,14 4.176,15 4.176,16 5.618,17 18.576,18 10.265,21 4.46,22 4.46,23 1,24 42.683,25 1,26 1,27 6.46,28 0.319,29 3.316,30 3.316,31 5.316,32 3.316,33 5.317,35 3.318,36 10.735,37 6.69,38 2.042,40 0.865,41 4.47,42 4.47,44 0.734,45 13.417,46 8.724,47 5.335,48 1.431,49 4.261,50 3.825,51 3.825,52 16.1,54 85.286,55 18.783,56 0.56,57 12.074,58 2.1,59 5.307,60 3,61 0.496,62 1.767,63 8,64 0.856,66 8.065,67 -1.015,68 1.429,69 6}
{0 CHEMBL406944,1 1,2 1,3 4.1,4 7.228,5 7.228,6 5.619,7 1,8 1,9 12.079,10 12.079,11 12.079,12 6.111,13 11.236,14 4.312,15 4.312,16 2.67,17 19.079,18 13.23,21 4.437,22 4.437,23 1,24 42.683,25 1,27 6.437,28 0.282,29 3.36,30 3.36,31 5.36,32 3.36,33 5.456,35 3.515,36 10.224,37 4.238,38 1.999,40 1.606,41 4.462,42 4.462,44 0.665,45 12.573,46 9.208,47 6.545,48 1.276,49 4.175,50 3.272,51 3.272,52 14.933,54 66.334,55 17.298,56 0.469,57 7.928,58 4.3,59 5.311,60 3,61 0.516,62 1.857,63 7,64 1.098,66 7.896,67 -1.003,68 1.308,69 6.625}
{0 CHEMBL407201,1 1,2 1,3 4.437,4 7.111,5 7.111,6 6.216,7 1,8 1,9 11.659,10 11.659,11 11.659,12 9.425,13 10.58,14 4.176,15 4.176,16 5.628,17 18.562,18 11.802,21 4.46,22 4.46,23 1,24 42.683,25 1,27 6.46,28 0.298,29 3.315,30 3.315,31 5.315,32 3.315,33 5.301,35 3.979,36 11.204,37 6.771,38 2.013,40 0.855,41 4.456,42 4.456,44 0.716,45 13.774,46 8.669,47 7.098,48 1.4,49 4.234,50 3.825,51 3.825,52 16.371,54 75.81,55 18.987,56 0.471,57 12.09,58 2.2,59 5.3,60 3,61 0.857,62 1.646,63 7,64 0.832,66 8.673,67 -1.044,68 1.434,69 7.699}
{0 CHEMBL408941,1 1,2 1,3 4.1,4 7.228,5 7.228,6 5.619,7 1,8 1,9 12.079,10 12.079,11 12.079,12 6.111,13 11.25,14 4.312,15 4.312,16 2.678,17 19.079,18 10.91,21 4.437,22 4.437,23 1,24 42.683,25 1,27 6.437,28 0.302,29 3.36,30 3.36,31 5.36,32 3.36,33 5.457,35 3.515,36 10.224,37 4.238,38 1.999,40 1.538,41 4.462,42 4.462,44 0.65,45 12.573,46 9.218,47 6.545,48 1.277,49 4.176,50 3.272,51 3.272,52 14.933,54 56.857,55 17.298,56 0.469,57 7.928,58 4.3,59 5.311,60 3,61 0.509,62 1.857,63 8,64 1.097,66 7.896,67 -1.011,68 1.308,69 6.991}
{0 CHEMBL409215,1 1,2 1,3 3.321,4 7.228,5 7.228,6 3.909,7 1,8 1,9 12.079,10 12.079,11 12.079,12 6.111,13 11.227,14 4.312,15 4.312,16 2.703,17 19.079,18 10.43,21 4.1,22 4.1,23 1,24 42.683,25 1,27 6.1,28 0.313,29 3.36,30 3.36,31 5.36,32 3.36,33 5.418,35 2.699,36 7.143,37 4.238,38 2.01,40 1.585,41 4.462,42 4.462,44 0.691,45 8.879,46 9.196,47 4.104,48 1.281,49 4.176,50 2.423,51 2.423,52 10.635,54 56.857,55 12.399,56 0.469,57 7.928,58 4.3,59 5.311,60 3,61 0.654,62 1.859,63 8,64 1.213,66 5.457,67 -1.036,68 1.308,69 6.943}
{0 CHEMBL409355,1 1,2 1,3 4.1,4 7.228,5 7.228,6 5.619,7 1,8 1,9 12.079,10 12.079,11 12.079,12 6.111,13 11.255,14 4.312,15 4.312,16 2.669,17 19.079,18 11.539,21 4.437,22 4.437,23 1,24 42.683,25 1,27 6.437,28 0.307,29 3.36,30 3.36,31 5.36,32 3.36,33 5.457,35 3.515,36 10.224,37 4.238,38 2.005,40 1.64,41 4.462,42 4.462,44 0.604,45 12.573,46 9.223,47 6.545,48 1.387,49 4.176,50 3.272,51 3.272,52 14.933,54 56.857,55 17.298,56 0.59,57 7.928,58 4,59 5.311,60 3,61 0.596,62 1.857,63 8,64 1.112,66 7.896,67 -1.003,68 1.438,69 7.602}
{0 CHEMBL409513,1 1,2 1,3 4.1,4 7.228,5 7.228,6 5.619,7 1,8 1,9 12.079,10 12.079,11 12.079,12 6.111,13 11.262,14 4.312,15 4.312,16 2.661,17 19.079,18 12.039,21 4.437,22 4.437,23 1,24 42.683,25 1,27 6.437,28 0.311,29 3.36,30 3.36,31 5.36,32 3.36,33 5.457,35 3.515,36 10.224,37 4.238,38 2.061,40 1.566,41 4.462,42 4.462,44 0.693,45 12.573,46 9.23,47 6.545,48 1.42,49 4.176,50 3.272,51 3.272,52 14.933,54 56.857,55 17.298,56 0.625,57 7.928,58 3.8,59 5.311,60 3,61 0.507,62 1.857,63 8,64 1.127,66 7.896,67 -0.994,68 1.476,69 7.032}
{0 CHEMBL411045,1 1,2 1,3 4.409,4 7.228,5 7.228,6 6.047,7 1,8 1,9 12.079,10 12.079,11 12.079,12 9.425,13 11.242,14 4.312,15 4.312,16 5.619,17 19.079,18 10.377,21 4.46,22 4.46,23 1,24 42.683,25 1,27 6.46,28 0.261,29 3.36,30 3.36,31 5.36,32 3.36,33 5.44,35 3.901,36 10.979,37 6.771,38 2.005,40 1.189,41 4.462,42 4.462,44 0.435,45 13.564,46 9.207,47 6.775,48 1.401,49 4.252,50 3.825,51 3.825,52 16.188,54 66.334,55 18.836,56 0.469,57 12.09,58 3.8,59 5.339,60 3,61 0.619,62 1.858,63 7,64 0.941,66 8.456,67 -1.039,68 1.418,69 8.699}
{0 CHEMBL412371,1 1,2 1,3 3.152,4 7.429,5 7.429,6 3.859,7 1,8 1,9 12.986,10 12.986,11 12.986,12 6.111,13 11.929,14 4.386,15 4.386,16 2.686,17 19.931,18 26.168,20 1,21 4.134,22 4.134,23 1,24 42.683,25 1,27 6.134,28 0.249,29 3.429,30 3.429,31 5.429,32 3.429,33 5.459,35 2.617,36 7.139,37 4.238,38 2.048,40 1.532,41 4.512,42 4.512,43 1,44 1.02,45 8.878,46 9.768,47 4.104,48 1.581,49 4.01,50 2.423,51 2.423,52 10.635,54 132.667,55 12.399,56 0.734,57 7.928,58 1.6,59 5.398,60 4,61 0.636,62 1.991,63 7,64 1.135,66 5.441,67 -1.019,68 1.587,69 5.571}
{0 CHEMBL414868,1 1,2 1,3 3.585,4 6.712,5 6.712,6 3.859,7 1,8 1,9 10.913,10 10.913,11 10.913,12 6.111,13 23.682,14 4.166,15 4.166,16 2.663,17 18.165,18 28.984,20 1,21 3.628,22 3.628,23 1,24 42.683,25 1,27 5.628,28 0.318,29 3.171,30 3.171,31 5.171,32 3.171,33 5.242,35 2.617,36 7.139,37 4.238,38 2.166,40 0.855,41 4.603,42 4.603,44 1.033,45 8.878,46 8.811,47 4.104,48 1.685,49 4.277,50 2.423,51 2.423,52 10.635,53 4.231,54 141.715,55 12.399,56 0.735,57 7.928,58 1.4,59 5.51,60 2,61 0.74,62 2.013,63 5,64 1.113,66 5.441,67 -0.972,68 1.645,69 5}
{0 CHEMBL416794,1 1,2 1,3 3.627,4 7.111,5 7.111,6 5.616,7 1,8 1,9 11.659,10 11.659,11 11.659,12 9.425,13 10.48,14 4.178,15 4.178,16 5.655,17 18.576,18 10.902,21 4.46,22 4.46,23 1,24 42.683,25 1,27 6.46,28 0.31,29 3.316,30 3.316,31 5.316,32 3.316,33 5.262,35 3.547,36 10.761,37 6.771,38 2.004,40 0.923,41 4.47,42 4.47,44 0.587,45 13.427,46 8.583,47 5.506,48 1.386,49 4.042,50 3.825,51 3.825,52 16.104,54 75.81,55 18.785,56 0.341,57 12.09,58 2.2,59 5.317,60 2,61 0.541,62 1.774,63 7,64 0.957,66 8.129,67 -1.074,68 1.347,69 6.399}
{0 CHEMBL418874,3 3.784,4 6.714,5 6.714,6 6.721,9 10.922,10 10.922,11 10.922,12 9.91,13 23.389,14 4.158,15 4.158,16 1.988,17 18.09,18 21.305,21 4.875,22 4.875,24 18.011,27 6.875,28 0.318,29 3.169,30 3.169,31 5.169,32 3.169,33 5.266,35 4.004,36 12.677,37 6.639,38 2.074,39 1,40 0.682,41 4.6,42 4.6,43 2,44 1,45 15.686,47 8.891,48 1.628,49 4.234,50 4.628,51 4.628,52 18.702,53 1.766,54 104.239,55 21.724,56 0.662,57 13.141,58 3.2,59 5.529,61 0.81,62 1.985,63 6,64 1.043,65 -0.528,66 9.679,67 -0.612,68 1.569,69 6.854}
{0 CHEMBL419019,1 1,2 1,3 3.201,4 7.594,5 7.594,6 3.905,7 1,8 1,9 13.687,10 13.687,11 13.687,12 6.111,13 11.687,14 4.443,15 4.443,16 2.584,17 20.699,18 22.759,19 1,20 1,21 4.154,22 4.154,23 1,24 42.683,25 1,27 6.154,28 0.226,29 3.487,30 3.487,31 5.487,32 3.487,33 5.552,34 1,35 2.812,36 7.14,37 4.238,38 2.07,40 1.506,41 4.574,42 4.574,43 1,44 0.98,45 8.878,46 9.582,47 4.104,48 1.526,49 4.087,50 2.423,51 2.423,52 10.635,54 113.715,55 12.399,56 0.819,57 7.928,59 5.519,60 1,61 0.912,62 1.951,63 6,64 1.154,66 5.448,67 -0.918,68 1.562,69 4.301}
{0 CHEMBL419756,1 1,2 1,3 3.219,4 7.6,5 7.6,6 3.905,7 1,8 1,9 13.749,10 13.749,11 13.749,12 6.111,13 11.911,14 4.448,15 4.448,16 2.564,17 20.762,18 21.39,19 1,20 1,21 4.155,22 4.155,23 1,24 42.683,25 1,27 6.155,28 0.229,29 3.491,30 3.491,31 5.491,32 3.491,33 5.558,34 1,35 2.812,36 7.14,37 4.238,38 2.074,40 1.447,41 4.577,42 4.577,43 1,44 1.003,45 8.878,46 9.767,47 4.104,48 1.715,49 4.185,50 2.423,51 2.423,52 10.635,54 104.239,55 12.399,56 0.946,57 7.928,59 5.522,60 1,61 0.738,62 1.985,63 7,64 1.197,66 5.448,67 -0.898,68 1.748,69 4.301}
{0 CHEMBL419768,3 3.633,4 6.5,5 6.5,6 4.572,9 10.163,10 10.163,11 10.163,12 6.554,13 34.611,14 4.036,15 4.036,16 2.4,17 16.961,18 13.464,21 4.001,22 4.001,24 18.011,27 6.001,28 0.314,29 3.069,30 3.069,31 5.069,32 3.069,33 5.13,35 3.365,36 7.605,37 4.804,38 2.122,39 1,40 0.745,41 4.31,42 4.31,43 1,44 1.003,45 9.23,47 4.222,48 1.633,49 3.899,50 2.408,51 2.408,52 10.891,54 66.334,55 12.576,56 0.825,57 8.27,58 1.5,59 5.31,61 0.719,62 1.977,63 5,64 1.247,65 -0.473,66 6.035,67 -0.824,68 1.568,69 4.301}
{0 CHEMBL420441,3 3.784,4 6.5,5 6.5,6 6.722,9 10.163,10 10.163,11 10.163,12 9.91,13 23.341,14 4.02,15 4.02,16 1.99,17 16.961,18 20.389,21 4.875,22 4.875,24 18.011,27 6.875,28 0.292,29 3.069,30 3.069,31 5.069,32 3.069,33 5.131,35 4.03,36 12.677,37 6.639,38 2.045,39 1,40 0.721,41 4.298,42 4.298,43 1,44 0.975,45 15.686,47 8.891,48 1.627,49 4.016,50 4.628,51 4.628,52 18.702,54 104.239,55 21.724,56 0.662,57 13.141,58 1.6,59 5.226,61 0.821,62 1.946,63 7,64 1.108,65 -0.53,66 9.679,67 -0.617,68 1.568,69 4.301}
{0 CHEMBL420973,1 1,2 1,3 3.063,4 6.502,5 6.502,6 3.909,7 1,8 1,9 10.187,10 10.187,11 10.187,12 6.111,13 11.334,14 4.028,15 4.028,16 2.618,17 16.945,18 36.709,21 3.788,22 3.788,23 1,24 42.683,25 1,27 5.788,28 0.26,29 3.029,30 3.029,31 5.029,32 3.029,33 5.084,35 2.699,36 7.143,37 4.238,38 2.114,40 0.945,41 4.395,42 4.395,43 1,44 0.876,45 8.879,46 9.293,47 4.104,48 1.632,49 4.077,50 2.423,51 2.423,52 10.635,54 180.049,55 12.399,56 0.844,57 7.928,59 5.243,60 2,61 0.296,62 2.022,63 6,64 1.001,65 -0.841,66 5.457,67 0.153,68 1.649,69 5.658}
{0 CHEMBL421729,1 1,2 1,3 3.063,4 6.502,5 6.502,6 3.909,7 1,8 1,9 10.187,10 10.187,11 10.187,12 6.111,13 11.334,14 4.028,15 4.028,16 2.618,17 16.945,18 36.709,21 3.788,22 3.788,23 1,24 42.683,25 1,27 5.788,28 0.26,29 3.029,30 3.029,31 5.029,32 3.029,33 5.084,35 2.699,36 7.143,37 4.238,38 2.114,40 0.945,41 4.395,42 4.395,43 1,44 0.876,45 8.879,46 9.293,47 4.104,48 1.632,49 4.077,50 2.423,51 2.423,52 10.635,54 180.049,55 12.399,56 0.844,57 7.928,59 5.243,60 2,61 0.296,62 2.022,63 6,64 1.001,65 -0.841,66 5.457,67 0.153,68 1.649,69 5.658}
{0 CHEMBL424133,1 1,2 1,3 3.173,4 7.224,5 7.224,6 3.839,7 1,8 2,9 12.052,10 12.052,11 12.052,12 6.111,13 11.154,14 4.304,15 4.304,16 2.677,17 18.92,18 15.498,20 3,21 4.099,22 4.099,23 2,24 85.367,25 1,27 6.099,28 0.278,29 3.352,30 3.352,31 5.352,32 3.352,33 5.355,34 3,35 2.546,36 7.138,37 4.238,38 2.062,40 1.337,41 4.438,42 4.438,44 0.893,45 8.878,46 19.2,47 4.104,48 1.415,49 4.001,50 2.423,51 2.423,52 10.635,54 75.81,55 12.399,56 0.571,57 7.928,58 5.3,59 5.316,60 2,61 0.628,62 1.881,63 6,64 1.248,66 5.437,67 -1.01,68 1.415,69 5.42}
{0 CHEMBL424674,1 1,2 1,3 4.011,4 7.408,5 7.408,6 5.579,7 1,8 1,9 12.812,10 12.812,11 12.812,12 9.418,13 11.416,14 4.407,15 4.407,16 5.7,17 19.817,18 10.193,21 4.461,22 4.461,23 1,24 42.683,25 1,26 1,27 6.461,28 0.216,29 3.407,30 3.407,31 5.407,32 3.407,33 5.493,35 3.477,36 10.755,37 6.762,38 2.073,40 1.14,41 4.484,42 4.484,44 0.719,45 13.424,46 9.369,47 5.409,48 1.435,49 4.043,50 3.825,51 3.825,52 16.102,54 66.334,55 18.784,56 0.504,57 12.086,59 5.403,60 2,61 0.963,62 1.916,63 5,64 0.991,66 8.114,67 -0.821,68 1.353,69 6.22}
{0 CHEMBL424933,1 2,2 2,3 3.624,4 6.546,5 6.546,6 3.893,7 3,8 2,9 10.357,10 10.357,11 10.357,12 5.889,13 22.475,14 4.092,15 4.092,16 2.758,17 17.144,18 11.643,20 4,21 3.63,22 3.63,23 3,24 128.05,25 1,26 1,27 5.63,28 0.342,29 3.121,30 3.121,31 5.121,32 3.121,33 5.212,34 2,35 2.88,36 6.888,37 4.112,38 2.047,40 0.695,41 4.49,42 4.49,44 1.051,45 8.541,46 27.866,47 3.925,48 1.717,49 4.243,50 2.341,51 2.341,52 10.221,54 99.541,55 11.914,56 0.856,57 7.625,58 1.5,59 5.415,60 4,61 0.577,62 1.886,63 9,64 1.098,65 0.088,66 5.304,67 -1.854,68 1.722,69 7.921}
{0 CHEMBL424939,1 1,2 1,3 3.283,4 6.546,5 6.546,6 3.712,7 1,8 1,9 10.357,10 10.357,11 10.357,12 5.889,13 11.046,14 4.092,15 4.092,16 2.411,17 17.144,18 20,21 3.63,22 3.63,23 1,24 42.683,25 1,26 1,27 5.63,28 0.325,29 3.095,30 3.095,31 5.095,32 3.095,33 5.206,35 2.639,36 6.85,37 4.112,38 2.004,40 0.848,41 4.52,42 4.52,43 1,44 0.956,45 8.526,46 9.082,47 3.925,48 1.527,49 4.251,50 2.341,51 2.341,52 10.216,53 2.153,54 94.762,55 11.912,56 0.706,57 7.625,58 1.6,59 5.444,60 2,61 0.39,62 1.962,63 7,64 1.07,65 0.112,66 5.215,67 -0.744,68 1.54,69 8.284}
{0 CHEMBL424957,1 1,2 1,3 3.296,4 7.594,5 7.594,6 3.882,7 1,8 1,9 13.687,10 13.687,11 13.687,12 6.111,13 11.605,14 4.443,15 4.443,16 2.608,17 20.699,18 9.466,19 1,20 1,21 4.154,22 4.154,23 1,24 42.683,25 1,27 6.154,28 0.266,29 3.487,30 3.487,31 5.487,32 3.487,33 5.55,34 1,35 2.719,36 7.139,37 4.238,38 2.07,40 1.131,41 4.574,42 4.574,43 1,44 0.916,45 8.878,46 9.512,47 4.104,48 1.389,49 4.183,50 2.423,51 2.423,52 10.635,54 56.857,55 12.399,56 0.453,57 7.928,59 5.519,60 1,61 0.934,62 1.873,63 6,64 1.073,66 5.444,67 -0.941,68 1.338,69 4.824}
{0 CHEMBL425116,1 1,2 1,3 3.283,4 6.546,5 6.546,6 3.738,7 1,8 1,9 10.357,10 10.357,11 10.357,12 5.889,13 11.016,14 4.092,15 4.092,16 2.415,17 17.15,18 15.296,21 3.63,22 3.63,23 1,24 42.683,25 1,26 1,27 5.63,28 0.316,29 3.095,30 3.095,31 5.095,32 3.095,33 5.182,35 2.739,36 6.851,37 4.112,38 2.026,40 0.854,41 4.409,42 4.409,43 3,44 0.937,45 8.526,46 9.057,47 3.925,48 1.552,49 3.948,50 2.341,51 2.341,52 10.216,54 66.334,55 11.912,56 0.704,57 7.625,58 3.2,59 5.33,60 2,61 0.361,62 1.886,63 8,64 1.31,65 0.111,66 5.219,67 -0.748,68 1.559,69 8.252}
{0 CHEMBL425254,1 1,2 1,3 3.585,4 7.224,5 7.224,6 3.859,7 1,8 1,9 12.056,10 12.056,11 12.056,12 6.111,13 24.443,14 4.307,15 4.307,16 2.678,17 19.307,18 29.04,19 1,20 1,21 4.099,22 4.099,23 1,24 42.683,25 1,27 6.099,28 0.302,29 3.355,30 3.355,31 5.355,32 3.355,33 5.385,34 1,35 2.617,36 7.139,37 4.238,38 2.166,40 1.478,41 4.603,42 4.603,43 1,44 0.959,45 8.878,46 9.399,47 4.104,48 1.784,49 4.413,50 2.423,51 2.423,52 10.635,53 4.2,54 141.715,55 12.399,56 1.02,57 7.928,58 1.3,59 5.51,60 1,61 0.676,62 2.013,63 5,64 1.133,66 5.441,67 -0.992,68 1.822,69 5.334}
{0 CHEMBL425431,1 1,2 1,3 3.63,4 7.119,5 7.119,6 5.611,7 1,8 1,9 11.707,10 11.707,11 11.707,12 9.425,13 10.559,14 4.186,15 4.186,16 5.735,17 18.715,18 7.191,21 4.461,22 4.461,23 1,24 42.683,25 1,27 6.461,28 0.261,29 3.329,30 3.329,31 5.329,32 3.329,33 5.28,35 3.556,36 10.761,37 6.771,38 2.017,40 0.684,41 4.486,42 4.486,43 1,44 0.939,45 13.427,46 8.65,47 5.506,48 1.451,49 4.073,50 3.825,51 3.825,52 16.104,54 37.905,55 18.785,56 0.597,57 12.09,58 1.9,59 5.407,60 3,61 1.356,62 1.849,63 6,64 1.092,66 8.128,67 -1.055,68 1.464,69 7.824}
{0 CHEMBL425666,1 1,2 1,3 3.729,4 7.111,5 7.111,6 5.585,7 1,8 1,9 11.658,10 11.658,11 11.658,12 9.418,13 23.631,14 4.175,15 4.175,16 5.714,17 18.551,18 9.262,20 1,21 4.46,22 4.46,23 1,24 60.694,25 1,26 1,27 6.46,28 0.294,29 3.315,30 3.315,31 5.315,32 3.315,33 5.193,35 3.516,36 10.755,37 6.762,38 2.07,40 1.106,41 4.448,42 4.448,44 0.618,45 13.424,46 9.263,47 5.409,48 1.471,49 4.081,50 3.825,51 3.825,52 16.102,54 66.334,55 18.784,56 0.59,57 12.086,58 1.9,59 5.334,60 2,61 0.869,62 1.902,63 5,64 1,65 -0.516,66 8.115,67 -1.392,68 1.466,69 7.824}
{0 CHEMBL425725,1 1,2 1,3 4.176,4 7.618,5 7.618,6 7.38,7 1,8 1,9 13.835,10 13.835,11 13.835,12 12.449,13 11.542,14 4.484,15 4.484,16 5.627,17 21.012,18 9.092,19 1,21 5.241,22 5.241,23 1,24 42.683,25 1,27 7.241,28 0.24,29 3.527,30 3.527,31 5.527,32 3.527,33 5.608,34 1,35 4.29,36 14.346,37 8.795,38 1.986,40 0.845,41 4.63,42 4.63,43 1,44 0.521,45 17.898,46 9.453,47 10.02,48 1.435,49 4.115,50 5.976,51 5.976,52 21.463,54 56.857,55 25.034,56 0.454,57 16.06,59 5.552,60 1,61 0.515,62 1.888,63 6,64 0.926,66 10.824,67 -0.991,68 1.337,69 4.824}
{0 CHEMBL425766,1 1,2 1,3 3.588,4 6.546,5 6.546,6 3.747,7 1,8 1,9 10.357,10 10.357,11 10.357,12 5.985,13 23.754,14 4.059,15 4.059,16 2.552,17 17.188,18 20.166,21 3.631,22 3.631,23 1,24 42.683,25 1,27 5.631,28 0.32,29 3.095,30 3.095,31 5.095,32 3.095,33 5.153,35 2.57,36 6.963,37 4.173,38 2.069,40 0.918,41 4.552,42 4.552,44 0.948,45 8.666,46 9.005,47 3.984,48 1.719,49 4.126,50 2.374,51 2.374,52 10.384,53 1.766,54 113.286,55 12.108,56 0.907,57 7.75,58 1.6,59 5.472,60 2,61 0.855,62 1.969,63 6,64 1.076,66 5.297,67 -1.036,68 1.749,69 6.188}
{0 CHEMBL425945,1 1,2 1,3 3.63,4 7.111,5 7.111,6 5.616,7 1,8 1,9 11.659,10 11.659,11 11.659,12 9.425,13 10.748,14 4.178,15 4.178,16 5.645,17 18.566,18 24.106,21 4.46,22 4.46,23 1,24 42.683,25 1,27 6.46,28 0.32,29 3.316,30 3.316,31 5.316,32 3.316,33 5.251,35 3.547,36 10.761,37 6.771,38 2.125,40 0.745,41 4.466,42 4.466,44 0.788,45 13.427,46 8.803,47 5.506,48 1.482,49 4.243,50 3.825,51 3.825,52 16.104,54 132.667,55 18.785,56 0.672,57 12.09,59 5.31,60 3,61 0.73,62 2.002,63 10,64 0.857,66 8.129,67 -1.058,68 1.499,69 7.155}
{0 CHEMBL426269,1 1,2 1,3 4.218,4 7.914,5 7.914,6 5.611,7 1,8 1,9 14.782,10 14.782,11 14.782,12 9.425,13 11.737,14 4.579,15 4.579,16 5.725,17 21.961,18 8.018,19 1,21 4.461,22 4.461,23 1,24 42.683,25 1,27 6.461,28 0.281,29 3.618,30 3.618,31 5.618,32 3.618,33 5.681,34 1,35 3.556,36 10.761,37 6.771,38 1.997,40 1.053,41 4.7,42 4.7,43 1,44 0.805,45 13.427,46 9.609,47 5.506,48 1.424,49 4.144,50 3.825,51 3.825,52 16.104,54 56.857,55 18.785,56 0.469,57 12.09,59 5.623,60 1,61 1.019,62 1.933,63 6,64 0.977,65 -0.221,66 8.128,67 -1.008,68 1.329,69 4.824}
{0 CHEMBL426327,3 3.809,4 7.122,5 7.122,6 5.722,9 11.855,10 11.855,11 11.855,12 9.446,13 34.779,14 4.252,15 4.252,16 6.002,17 19.304,18 6.538,21 4.461,22 4.461,27 6.461,28 0.358,29 3.335,30 3.335,31 5.335,32 3.335,33 5.357,35 3.667,36 10.788,37 6.795,38 1.988,40 1.136,41 4.634,42 4.634,43 4,44 0.638,45 13.44,47 5.825,48 1.478,49 4.232,50 3.825,51 3.825,52 16.11,54 56.857,55 18.788,56 0.216,57 12.103,58 4.3,59 5.562,61 1.089,62 1.762,63 9,64 0.896,66 8.184,67 -0.856,68 1.426,69 6.638}
{0 CHEMBL426371,1 1,2 1,3 3.729,4 7.111,5 7.111,6 5.594,7 1,8 1,9 11.658,10 11.658,11 11.658,12 9.418,13 24.009,14 4.175,15 4.175,16 5.729,17 18.551,18 18.819,20 3,21 4.46,22 4.46,23 1,24 60.694,25 1,26 1,27 6.46,28 0.28,29 3.315,30 3.315,31 5.315,32 3.315,33 5.233,34 1,35 3.551,36 10.755,37 6.762,38 2.074,40 1.08,41 4.448,42 4.448,44 0.728,45 13.424,46 9.389,47 5.409,48 1.487,49 4.081,50 3.825,51 3.825,52 16.102,54 113.715,55 18.784,56 0.627,57 12.086,58 1.6,59 5.341,60 2,61 0.764,62 2.006,63 6,64 0.935,65 -0.541,66 8.116,67 -1.413,68 1.492,69 6.959}
{0 CHEMBL426483,1 1,2 1,3 3.729,4 7.242,5 7.242,6 5.585,7 1,8 1,9 12.189,10 12.189,11 12.189,12 9.418,13 23.535,14 4.259,15 4.259,16 6.169,17 19.611,18 7.034,20 1,21 4.475,22 4.475,23 1,24 60.694,25 1,26 1,27 6.475,28 0.336,29 3.381,30 3.381,31 5.381,32 3.381,33 5.274,35 3.516,36 10.755,37 6.762,38 2.069,40 0.937,41 4.559,42 4.559,44 0.813,45 13.424,46 9.217,47 5.409,48 1.453,49 4.046,50 3.825,51 3.825,52 16.102,54 56.857,55 18.784,56 0.548,57 12.086,58 2,59 5.444,60 2,61 1.045,62 1.898,63 6,64 0.96,65 -0.569,66 8.115,67 -1.732,68 1.443,69 5.699}
{0 CHEMBL426529,1 1,2 1,3 3.283,4 6.546,5 6.546,6 3.685,7 1,8 1,9 10.357,10 10.357,11 10.357,12 5.889,13 10.943,14 4.092,15 4.092,16 2.407,17 17.144,18 12.967,21 3.63,22 3.63,23 1,24 42.683,25 1,26 1,27 5.63,28 0.318,29 3.095,30 3.095,31 5.095,32 3.095,33 5.187,35 2.527,36 6.85,37 4.112,38 2.004,40 0.79,41 4.424,42 4.424,44 0.926,45 8.526,46 8.999,47 3.925,48 1.527,49 3.725,50 2.341,51 2.341,52 10.216,53 1.524,54 56.857,55 11.912,56 0.454,57 7.625,58 2.1,59 5.345,60 2,61 0.357,62 1.885,63 4,64 1.196,65 0.127,66 5.21,67 -0.74,68 1.497,69 6.886}
{0 CHEMBL426592,1 1,2 1,3 3.563,4 7.422,5 7.422,6 3.882,7 1,8 1,9 12.922,10 12.922,11 12.922,12 6.111,13 11.444,14 4.393,15 4.393,16 2.62,17 19.932,18 11.47,19 1,20 1,21 4.131,22 4.131,23 1,24 42.683,25 1,27 6.131,28 0.243,29 3.438,30 3.438,31 5.438,32 3.438,33 5.499,34 1,35 2.719,36 7.139,37 4.238,38 2.068,40 1.233,41 4.537,42 4.537,43 1,44 0.816,45 8.878,46 9.382,47 4.104,48 1.432,49 4.172,50 2.423,51 2.423,52 10.635,54 56.857,55 12.399,56 0.679,57 7.928,59 5.481,60 1,61 0.779,62 1.873,63 6,64 1.234,66 5.444,67 -0.953,68 1.454,69 4.824}
{0 CHEMBL426883,1 1,2 1,3 3.63,4 7.307,5 7.307,6 5.579,7 1,8 1,9 12.573,10 12.573,11 12.573,12 9.418,13 11.01,14 4.355,15 4.355,16 5.83,17 20.47,18 8.639,21 4.471,22 4.471,23 1,24 42.683,25 1,26 1,27 6.471,28 0.324,29 3.441,30 3.441,31 5.441,32 3.441,33 5.45,35 3.477,36 10.755,37 6.762,38 2.046,40 0.616,41 4.746,42 4.746,44 0.887,45 13.424,46 9.045,47 5.409,48 1.642,49 4.267,50 3.825,51 3.825,52 16.102,53 0.052,54 47.381,55 18.784,56 0.706,57 12.086,58 1.7,59 5.671,60 2,61 0.848,62 1.886,63 6,64 0.964,65 0.057,66 8.114,67 -0.788,68 1.559,69 8.222}
{0 CHEMBL427040,1 1,2 1,3 3.643,4 7.307,5 7.307,6 5.593,7 1,8 1,9 12.573,10 12.573,11 12.573,12 9.423,13 10.93,14 4.355,15 4.355,16 5.828,17 20.47,18 8.561,19 1,21 4.471,22 4.471,23 1,24 42.683,25 1,26 1,27 6.471,28 0.327,29 3.441,30 3.441,31 5.441,32 3.441,33 5.427,34 1,35 3.489,36 10.759,37 6.77,38 2.068,40 0.519,41 4.746,42 4.746,43 1,44 0.846,45 13.426,46 8.972,47 5.458,48 1.612,49 4.267,50 3.825,51 3.825,52 16.103,53 0.065,54 47.381,55 18.784,56 0.674,57 12.089,58 3.3,59 5.671,61 0.846,62 1.88,63 6,64 1.064,66 8.122,67 -0.864,68 1.558,69 6.824}
{0 CHEMBL427071,1 1,2 1,3 3.729,4 7.119,5 7.119,6 5.585,7 1,8 1,9 11.704,10 11.704,11 11.704,12 9.418,13 23.782,14 4.202,15 4.202,16 5.965,17 18.781,18 6.894,20 2,21 4.461,22 4.461,23 1,24 60.694,25 1,26 1,27 6.461,28 0.302,29 3.33,30 3.33,31 5.33,32 3.33,33 5.242,35 3.516,36 10.755,37 6.762,38 2.071,40 1.03,41 4.502,42 4.502,44 0.708,45 13.424,46 9.312,47 5.409,48 1.489,49 4.188,50 3.825,51 3.825,52 16.102,54 56.857,55 18.784,56 0.709,57 12.086,58 1.7,59 5.399,60 2,61 0.773,62 1.959,63 6,64 0.998,65 -0.569,66 8.115,67 -1.781,68 1.506,69 8.081}
{0 CHEMBL427080,1 2,2 2,3 3.617,4 6.546,5 6.546,6 3.901,7 2,8 2,9 10.357,10 10.357,11 10.357,12 5.889,13 22.328,14 4.092,15 4.092,16 2.65,17 17.144,18 11.309,20 1,21 3.63,22 3.63,23 2,24 85.367,25 1,26 1,27 5.63,28 0.362,29 3.105,30 3.105,31 5.105,32 3.105,33 5.207,35 2.897,36 6.888,37 4.112,38 2.004,40 0.701,41 4.478,42 4.478,43 1,44 0.953,45 8.541,46 18.325,47 3.925,48 1.528,49 4.234,50 2.341,51 2.341,52 10.221,54 56.857,55 11.914,56 0.706,57 7.625,58 1.6,59 5.402,60 4,61 0.529,62 1.885,63 9,64 1.128,65 0.088,66 5.306,67 -1.747,68 1.54,69 7.553}
{0 CHEMBL427237,1 1,2 1,3 3.305,4 6.701,5 6.701,6 3.685,7 1,8 1,9 10.868,10 10.868,11 10.868,12 5.889,13 11.007,14 4.128,15 4.128,16 2.397,17 18.075,18 14.273,20 1,21 3.63,22 3.63,23 1,24 59.469,25 1,26 1,27 5.63,28 0.316,29 3.146,30 3.146,31 5.146,32 3.146,33 5.224,35 2.527,36 6.85,37 4.112,38 2.059,40 0.796,41 4.583,42 4.583,44 0.984,45 8.526,46 9.053,47 3.925,48 1.654,49 3.788,50 2.341,51 2.341,52 10.216,53 2.39,54 65.905,55 11.912,56 0.706,57 7.625,58 1.7,59 5.509,60 2,61 0.309,62 1.886,63 5,64 1.165,65 0.134,66 5.21,67 -0.731,68 1.667,69 8.208}
{0 CHEMBL427299,1 1,2 1,3 3.359,4 6.884,5 6.884,6 3.685,7 1,8 1,9 11.523,10 11.523,11 11.523,12 5.889,13 10.687,14 4.249,15 4.249,16 2.463,17 19.067,18 21.476,21 3.6,22 3.6,23 1,24 42.683,25 1,26 1,27 5.6,28 0.289,29 3.26,30 3.26,31 5.26,32 3.26,33 5.351,35 2.527,36 6.85,37 4.112,38 2.07,40 0.912,41 4.692,42 4.692,43 1,44 0.918,45 8.526,46 8.784,47 3.925,48 1.639,49 4.042,50 2.341,51 2.341,52 10.216,53 1.752,54 104.239,55 11.912,56 0.867,57 7.625,58 1.7,59 5.596,60 2,61 0.354,62 1.99,63 6,64 1.071,66 5.21,67 -0.797,68 1.644,69 7.959}
{0 CHEMBL427701,1 1,2 1,3 3.237,4 6.378,5 6.378,6 3.879,7 1,8 1,9 9.913,10 9.913,11 9.913,12 6.112,13 11.389,14 4.022,15 4.022,16 2.639,17 16.576,18 21.352,20 1,21 3.787,22 3.787,23 1,24 42.683,25 1,27 5.787,28 0.318,29 3.064,30 3.064,31 5.064,32 3.064,33 5.093,35 2.721,36 7.139,37 4.245,38 2.051,40 1.102,41 4.486,42 4.486,43 2,44 1.152,45 8.878,46 9.335,47 4.104,48 1.593,49 4.117,50 2.423,51 2.423,52 10.635,53 1.529,54 104.239,55 12.399,56 0.726,57 7.928,58 2.9,59 5.424,60 2,61 0.892,62 1.993,63 6,64 1.307,65 -0.879,66 5.444,67 -0.972,68 1.579,69 6.959}
{0 CHEMBL427890,3 4.46,4 7.111,5 7.111,6 5.776,9 11.695,10 11.695,11 11.695,12 9.561,13 35.622,14 4.241,15 4.241,16 6.128,17 18.816,18 9.78,20 2,21 4.637,22 4.637,24 34.416,27 6.637,28 0.249,29 3.358,30 3.358,31 5.358,32 3.358,33 5.365,34 1,35 3.619,36 10.876,37 6.947,38 2.027,40 0.666,41 4.738,42 4.738,44 0.924,45 13.507,47 5.335,48 1.456,49 4.405,50 3.825,51 3.825,52 16.157,54 81.617,55 18.819,56 0.49,57 12.186,58 5.8,59 5.631,61 0.956,62 1.748,63 7,64 0.93,66 8.28,67 -0.479,68 1.397,69 5}
{0 CHEMBL428037,1 1,2 1,3 4.1,4 7.228,5 7.228,6 5.616,7 1,8 1,9 12.079,10 12.079,11 12.079,12 9.425,13 11.217,14 4.312,15 4.312,16 5.644,17 19.079,18 9.633,21 4.46,22 4.46,23 1,24 42.683,25 1,27 6.46,28 0.279,29 3.36,30 3.36,31 5.36,32 3.36,33 5.418,35 3.547,36 10.761,37 6.771,38 2.011,40 1.195,41 4.462,42 4.462,44 0.419,45 13.427,46 9.18,47 5.506,48 1.389,49 4.254,50 3.825,51 3.825,52 16.104,54 66.334,55 18.785,56 0.469,57 12.09,58 4,59 5.311,60 3,61 0.755,62 1.859,63 7,64 0.992,66 8.129,67 -1.077,68 1.404,69 8.523}
{0 CHEMBL428255,1 1,2 1,3 4.439,4 7.111,5 7.111,6 6.216,7 1,8 1,9 11.66,10 11.66,11 11.66,12 9.425,13 10.611,14 4.181,15 4.181,16 5.614,17 18.615,18 12.345,21 4.46,22 4.46,23 1,24 42.683,25 1,27 6.46,28 0.287,29 3.317,30 3.317,31 5.317,32 3.317,33 5.315,35 3.979,36 11.204,37 6.771,38 2.015,40 0.826,41 4.473,42 4.473,44 0.65,45 13.774,46 8.695,47 7.098,48 1.387,49 4.241,50 3.825,51 3.825,52 16.371,54 73.983,55 18.987,56 0.35,57 12.09,58 2.2,59 5.324,60 3,61 0.838,62 1.643,63 7,64 0.843,66 8.673,67 -1.038,68 1.353,69 6.824}
{0 CHEMBL428574,1 1,2 1,3 3.36,4 6.46,5 6.46,6 4.026,7 1,8 1,9 10.199,10 10.199,11 10.199,12 6.112,13 11.407,14 4.101,15 4.101,16 2.653,17 16.987,18 20.685,20 1,21 3.787,22 3.787,23 1,24 42.683,25 1,27 5.787,28 0.315,29 3.14,30 3.14,31 5.14,32 3.14,33 5.175,35 2.977,36 7.161,37 4.245,38 2.031,40 1.065,41 4.564,42 4.564,43 2,44 1.13,45 8.886,46 9.347,47 4.104,48 1.587,49 4.047,50 2.423,51 2.423,52 10.637,53 1.281,54 104.239,55 12.399,56 0.715,57 7.928,58 3.1,59 5.499,60 2,61 1.022,62 1.916,63 6,64 1.338,65 -0.898,66 5.505,67 -0.987,68 1.563,69 5.959}
{0 CHEMBL429824,1 1,2 1,3 3.321,4 6.378,5 6.378,6 4.026,7 1,8 1,9 9.913,10 9.913,11 9.913,12 6.112,13 11.394,14 4.022,15 4.022,16 2.65,17 16.576,18 20.588,20 1,21 3.787,22 3.787,23 1,24 42.683,25 1,27 5.787,28 0.315,29 3.064,30 3.064,31 5.064,32 3.064,33 5.109,35 2.977,36 7.161,37 4.245,38 2.03,40 1.084,41 4.486,42 4.486,43 2,44 1.117,45 8.886,46 9.337,47 4.104,48 1.578,49 4.117,50 2.423,51 2.423,52 10.637,53 1.492,54 104.239,55 12.399,56 0.715,57 7.928,58 3.1,59 5.426,60 2,61 0.908,62 1.943,63 6,64 1.338,65 -0.892,66 5.505,67 -0.983,68 1.556,69 5.77}
{0 CHEMBL430182,1 1,2 1,3 3.308,4 6.546,5 6.546,6 3.669,7 1,8 1,9 10.357,10 10.357,11 10.357,12 5.89,13 11.039,14 4.092,15 4.092,16 2.427,17 17.144,18 15.128,21 3.63,22 3.63,23 1,24 42.683,25 1,26 1,27 5.63,28 0.338,29 3.095,30 3.095,31 5.095,32 3.095,33 5.171,35 2.485,36 6.849,37 4.117,38 2.064,40 0.714,41 4.386,42 4.386,44 1.198,45 8.526,46 9.074,47 3.925,48 1.596,49 4.074,50 2.341,51 2.341,52 10.216,54 66.334,55 11.912,56 0.785,57 7.625,58 4.7,59 5.313,60 2,61 0.645,62 1.916,63 8,64 1.2,65 0.09,66 5.207,67 -0.76,68 1.632,69 7.796}
{0 CHEMBL430970,3 3.783,4 6.491,5 6.491,6 6.722,9 10.118,10 10.118,11 10.118,12 9.91,13 23.246,14 4.011,15 4.011,16 1.978,17 16.858,18 31.646,19 1,21 4.875,22 4.875,24 18.011,27 6.875,28 0.284,29 3.061,30 3.061,31 5.061,32 3.061,33 5.12,34 1,35 4.03,36 12.677,37 6.639,38 2.087,39 1,40 0.701,41 4.289,42 4.289,43 1,44 0.886,45 15.686,47 8.891,48 1.71,49 4.232,50 4.628,51 4.628,52 18.702,54 151.62,55 21.724,56 0.918,57 13.141,58 1.4,59 5.215,61 0.529,62 2.004,63 8,64 1.052,65 -0.496,66 9.679,67 -0.589,68 1.742,69 4.301}
{0 CHEMBL431450,1 1,2 1,3 3.218,4 7.422,5 7.422,6 3.905,7 1,8 1,9 12.921,10 12.921,11 12.921,12 6.111,13 11.439,14 4.392,15 4.392,16 2.603,17 19.947,18 21.355,21 4.13,22 4.13,23 1,24 42.683,25 1,27 6.13,28 0.235,29 3.438,30 3.438,31 5.438,32 3.438,33 5.494,35 2.812,36 7.14,37 4.238,38 2.064,40 1.512,41 4.536,42 4.536,44 1.067,45 8.878,46 9.38,47 4.104,48 1.718,49 4.176,50 2.423,51 2.423,52 10.635,54 104.239,55 12.399,56 0.949,57 7.928,59 5.481,60 2,61 0.448,62 1.985,63 7,64 1.187,66 5.448,67 -0.936,68 1.75,69 4.301}
{0 CHEMBL433306,1 1,2 1,3 3.115,4 6.464,5 6.464,6 3.909,7 1,8 1,9 10.01,10 10.01,11 10.01,12 6.111,13 11.319,14 4.007,15 4.007,16 2.638,17 16.742,18 15.006,21 3.794,22 3.794,23 1,24 42.683,25 1,27 5.794,28 0.334,29 3.025,30 3.025,31 5.025,32 3.025,33 5.088,35 2.699,36 7.143,37 4.238,38 2.039,40 0.954,41 4.391,42 4.391,43 1,44 1.101,45 8.879,46 9.277,47 4.104,48 1.428,49 3.905,50 2.423,51 2.423,52 10.635,54 75.81,55 12.399,56 0.604,57 7.928,58 3.8,59 5.263,60 2,61 0.417,62 1.893,63 6,64 1.232,65 -1.029,66 5.457,67 -0.972,68 1.469,69 5.796}
{0 CHEMBL433316,1 1,2 1,3 3.794,4 7.283,5 7.283,6 5.607,7 1,8 1,9 12.427,10 12.427,11 12.427,12 9.425,13 11.317,14 4.297,15 4.297,16 5.786,17 20.17,18 11.885,21 4.47,22 4.47,23 1,24 42.683,25 1,27 6.47,28 0.304,29 3.402,30 3.402,31 5.402,32 3.402,33 5.368,35 3.512,36 10.761,37 6.771,38 2.036,40 0.949,41 4.597,42 4.597,43 1,44 0.851,45 13.427,46 9.267,47 5.506,48 1.443,49 4.08,50 3.825,51 3.825,52 16.104,54 75.81,55 18.785,56 0.469,57 12.09,58 3.6,59 5.482,60 2,61 0.768,62 1.893,63 6,64 1.02,65 -1.145,66 8.128,67 -1.027,68 1.36,69 5.602}
{0 CHEMBL435278,1 1,2 1,3 3.699,4 7.224,5 7.224,6 4.055,7 1,8 1,9 12.052,10 12.052,11 12.052,12 6.188,13 24.444,14 4.304,15 4.304,16 2.726,17 18.92,18 16.555,20 6,21 4.099,22 4.099,23 1,24 60.694,25 1,27 6.099,28 0.291,29 3.352,30 3.352,31 5.352,32 3.352,33 5.358,34 1,35 2.871,36 7.198,37 4.384,38 2.059,39 1,40 1.381,41 4.438,42 4.438,44 0.956,45 8.908,46 9.234,47 4.104,48 1.571,49 4.324,50 2.423,51 2.423,52 10.649,54 94.762,55 12.406,56 0.856,57 7.967,58 3,59 5.373,60 2,61 0.989,62 1.934,63 8,64 1.145,66 5.554,67 -1.461,68 1.601,69 6.721}
{0 CHEMBL435343,1 1,2 1,3 3.299,4 7.594,5 7.594,6 3.882,7 1,8 1,9 13.687,10 13.687,11 13.687,12 6.111,13 11.619,14 4.443,15 4.443,16 2.593,17 20.699,18 10.651,19 1,20 1,21 4.154,22 4.154,23 1,24 42.683,25 1,27 6.154,28 0.257,29 3.487,30 3.487,31 5.487,32 3.487,33 5.551,34 1,35 2.719,36 7.139,37 4.238,38 2.07,40 1.377,41 4.574,42 4.574,43 1,44 0.973,45 8.878,46 9.526,47 4.104,48 1.389,49 4.183,50 2.423,51 2.423,52 10.635,54 56.857,55 12.399,56 0.454,57 7.928,59 5.519,60 1,61 0.869,62 1.871,63 6,64 1.196,66 5.444,67 -0.926,68 1.338,69 5.387}
{0 CHEMBL435517,1 1,2 1,3 3.774,4 7.138,5 7.138,6 5.794,7 1,8 1,9 12.414,10 12.414,11 12.414,12 9.783,13 24.697,14 4.365,15 4.365,16 6.128,17 20.087,18 17.093,20 2,21 4.437,22 4.437,23 1,24 42.683,25 1,27 6.437,28 0.371,29 3.397,30 3.397,31 5.397,32 3.397,33 5.43,34 1,35 3.676,36 11.173,37 7.016,38 2.056,40 0.745,41 4.806,42 4.806,43 2,44 0.89,45 13.95,46 9.129,47 5.712,48 1.564,49 4.149,50 4.032,51 4.032,52 16.734,53 0.83,54 104.239,55 19.521,56 0.611,57 12.558,58 1.6,59 5.637,60 2,61 1.119,62 1.955,63 7,64 0.989,65 -1.071,66 8.426,67 -1.484,68 1.538,69 4.824}
{0 CHEMBL435523,1 1,2 1,3 3.358,4 6.884,5 6.884,6 3.792,7 1,8 1,9 11.523,10 11.523,11 11.523,12 6.05,13 10.869,14 4.249,15 4.249,16 2.517,17 19.067,18 21.308,21 3.636,22 3.636,23 1,24 42.683,25 1,26 1,27 5.636,28 0.28,29 3.26,30 3.26,31 5.26,32 3.26,33 5.33,34 1,35 2.599,36 7.043,37 4.213,38 2.071,40 0.681,41 4.692,42 4.692,44 1.088,45 8.766,46 8.926,47 4.03,48 1.613,49 4.09,50 2.397,51 2.397,52 10.503,53 1.795,54 104.239,55 12.247,56 0.731,57 7.838,58 1.6,59 5.626,60 1,61 0.833,62 1.992,63 6,64 1.086,66 5.359,67 -0.85,68 1.582,69 7.699}
{0 CHEMBL435704,1 1,2 1,3 3.358,4 6.884,5 6.884,6 3.685,7 1,8 1,9 11.523,10 11.523,11 11.523,12 5.889,13 10.682,14 4.249,15 4.249,16 2.457,17 19.067,18 21.63,21 3.6,22 3.6,23 1,24 42.683,25 1,26 1,27 5.6,28 0.28,29 3.26,30 3.26,31 5.26,32 3.26,33 5.339,35 2.527,36 6.85,37 4.112,38 2.071,40 0.94,41 4.692,42 4.692,44 1.022,45 8.526,46 8.781,47 3.925,48 1.693,49 4.042,50 2.341,51 2.341,52 10.216,53 1.787,54 104.239,55 11.912,56 0.883,57 7.625,58 1.6,59 5.613,60 2,61 0.419,62 1.991,63 6,64 1.086,66 5.21,67 -0.79,68 1.694,69 8.699}
{0 CHEMBL435715,1 1,2 1,3 3.358,4 7.618,5 7.618,6 3.792,7 1,8 1,9 13.294,10 13.294,11 13.294,12 6.05,13 11.522,14 4.486,15 4.486,16 2.529,17 20.976,18 21.397,21 4.121,22 4.121,23 1,24 42.683,25 1,26 1,27 6.121,28 0.264,29 3.486,30 3.486,31 5.486,32 3.486,33 5.568,34 1,35 2.599,36 7.043,37 4.213,38 2.072,40 1.549,41 4.692,42 4.692,44 1.113,45 8.766,46 9.454,47 4.03,48 1.72,49 4.137,50 2.397,51 2.397,52 10.503,53 1.791,54 104.239,55 12.247,56 0.884,57 7.838,58 1.4,59 5.626,60 1,61 0.804,62 1.993,63 6,64 1.113,66 5.359,67 -0.862,68 1.741,69 6.591}
{0 CHEMBL436514,1 1,2 1,3 3.283,4 6.546,5 6.546,6 3.712,7 1,8 1,9 10.357,10 10.357,11 10.357,12 5.889,13 11.066,14 4.092,15 4.092,16 2.404,17 17.144,18 14.274,21 3.63,22 3.63,23 1,24 42.683,25 1,26 1,27 5.63,28 0.316,29 3.095,30 3.095,31 5.095,32 3.095,33 5.215,35 2.639,36 6.85,37 4.112,38 2.047,40 0.797,41 4.381,42 4.381,44 1.095,45 8.526,46 9.099,47 3.925,48 1.725,49 4.096,50 2.341,51 2.341,52 10.216,54 64.507,55 11.912,56 0.994,57 7.625,58 1.4,59 5.307,60 2,61 0.453,62 1.891,63 8,64 1.188,65 0.226,66 5.215,67 -0.738,68 1.762,69 8.638}
{0 CHEMBL437364,1 1,2 1,3 3.524,4 6.325,5 6.325,6 4.129,7 1,8 1,9 9.72,10 9.72,11 9.72,12 6.234,13 10.702,14 4.045,15 4.045,16 2.695,17 16.166,18 19.281,21 3.63,22 3.63,23 1,24 42.683,25 1,27 5.63,28 0.324,29 3.045,30 3.045,31 5.045,32 3.045,33 5.11,35 2.986,36 7.228,37 4.457,38 2.062,40 0.663,41 4.5,42 4.5,44 0.764,45 8.928,46 8.771,47 4.104,48 1.678,49 4.22,50 2.423,51 2.423,52 10.662,53 1.823,54 123.191,55 12.414,56 0.701,57 7.995,59 5.322,60 3,61 0.489,62 1.978,63 7,64 0.938,65 -0.216,66 5.6,67 -1.029,68 1.641,69 6.538}
{0 CHEMBL437479,1 1,2 1,3 3.585,4 7.224,5 7.224,6 3.859,7 1,8 1,9 12.055,10 12.055,11 12.055,12 6.111,13 24.361,14 4.307,15 4.307,16 2.674,17 19.307,18 29.046,20 1,21 4.099,22 4.099,23 1,24 42.683,25 1,27 6.099,28 0.302,29 3.354,30 3.354,31 5.354,32 3.354,33 5.383,35 2.617,36 7.139,37 4.238,38 2.166,40 1.477,41 4.603,42 4.603,44 1.099,45 8.878,46 9.339,47 4.104,48 1.784,49 4.415,50 2.423,51 2.423,52 10.635,53 4.212,54 141.715,55 12.399,56 1.019,57 7.928,58 1.3,59 5.51,60 2,61 0.736,62 2.013,63 5,64 1.133,66 5.441,67 -0.984,68 1.82,69 5}
{0 CHEMBL443218,1 1,2 1,3 4.099,4 7.224,5 7.224,6 5.682,7 1,8 1,9 12.054,10 12.054,11 12.054,12 9.435,13 25.384,14 4.305,15 4.305,16 5.713,17 19.593,18 18.663,20 2,21 4.46,22 4.46,23 1,24 42.683,25 1,27 6.46,28 0.292,29 3.352,30 3.352,31 5.352,32 3.352,33 5.358,35 3.68,36 10.768,37 6.799,38 2.067,40 1.049,41 4.584,42 4.584,43 3,44 0.788,45 13.429,46 9.41,47 5.506,48 1.587,49 4.44,50 3.825,51 3.825,52 16.104,54 104.239,55 18.785,56 0.825,57 12.093,58 3.9,59 5.518,60 2,61 0.473,62 1.995,63 8,64 1.023,65 0.215,66 8.151,67 -1.336,68 1.573,69 6.367}
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{0 CHEMBL444175,1 1,2 1,3 3.588,4 7.232,5 7.232,6 3.859,7 1,8 1,9 12.114,10 12.114,11 12.114,12 6.111,13 24.848,14 4.323,15 4.323,16 2.682,17 19.45,18 33.226,19 1,20 1,21 4.101,22 4.101,23 1,24 42.683,25 1,27 6.101,28 0.287,29 3.371,30 3.371,31 5.371,32 3.371,33 5.399,34 1,35 2.617,36 7.139,37 4.238,38 2.102,40 1.507,41 4.629,42 4.629,43 1,44 1.008,45 8.878,46 9.449,47 4.104,48 1.801,49 4.394,50 2.423,51 2.423,52 10.635,53 1.85,54 160.667,55 12.399,56 1.008,57 7.928,58 1.3,59 5.537,60 2,61 1.256,62 2.021,63 7,64 1.127,66 5.441,67 -1.017,68 1.816,69 5}
{0 CHEMBL445921,1 1,2 1,3 3.788,4 7.138,5 7.138,6 5.794,7 1,8 1,9 12.414,10 12.414,11 12.414,12 9.783,13 25.149,14 4.365,15 4.365,16 6.13,17 20.087,18 17.247,20 2,21 4.437,22 4.437,23 1,24 42.683,25 1,27 6.437,28 0.351,29 3.397,30 3.397,31 5.397,32 3.397,33 5.43,34 1,35 3.676,36 11.173,37 7.016,38 2.057,40 0.719,41 4.806,42 4.806,43 2,44 0.896,45 13.95,46 9.451,47 5.712,48 1.583,49 4.149,50 4.032,51 4.032,52 16.734,53 0.839,54 104.239,55 19.521,56 0.706,57 12.558,58 1.5,59 5.66,60 2,61 1.071,62 1.965,63 7,64 1.014,65 -1.006,66 8.426,67 -1.428,68 1.562,69 4.301}
{0 CHEMBL446489,1 1,2 1,3 3.591,4 7.232,5 7.232,6 3.859,7 1,8 1,9 12.114,10 12.114,11 12.114,12 6.111,13 24.831,14 4.323,15 4.323,16 2.681,17 19.45,18 29.229,19 1,20 1,21 4.101,22 4.101,23 1,24 42.683,25 1,27 6.101,28 0.302,29 3.371,30 3.371,31 5.371,32 3.371,33 5.399,34 1,35 2.617,36 7.139,37 4.238,38 2.162,40 1.506,41 4.629,42 4.629,43 1,44 1.013,45 8.878,46 9.439,47 4.104,48 1.749,49 4.394,50 2.423,51 2.423,52 10.635,53 4.019,54 141.715,55 12.399,56 0.985,57 7.928,58 1.3,59 5.537,60 2,61 1.055,62 2.02,63 5,64 1.133,66 5.441,67 -1.006,68 1.78,69 5}
{0 CHEMBL446893,1 1,2 1,3 2.954,4 5.968,5 5.968,6 3.909,7 1,8 1,9 8.443,10 8.443,11 8.443,12 6.111,13 11.111,14 3.78,15 3.78,16 2.617,17 14.265,18 17.123,21 3.788,22 3.788,23 1,24 42.683,25 1,27 5.788,28 0.203,29 2.808,30 2.808,31 4.808,32 2.808,33 4.825,35 2.699,36 7.143,37 4.238,38 2.037,40 1.097,41 4.127,42 4.127,43 1,44 1.07,45 8.879,46 9.112,47 4.104,48 1.315,49 3.852,50 2.423,51 2.423,52 10.635,54 104.239,55 12.399,56 0.299,57 7.928,59 4.975,60 2,61 0.35,62 1.823,63 3,64 1.088,65 -0.821,66 5.457,67 -0.95,68 1.308,69 5.178}
{0 CHEMBL447190,1 1,2 1,3 3.563,4 7.594,5 7.594,6 3.882,7 1,8 1,9 13.687,10 13.687,11 13.687,12 6.111,13 11.675,14 4.443,15 4.443,16 2.585,17 20.699,18 11.522,19 1,20 1,21 4.154,22 4.154,23 1,24 42.683,25 1,27 6.154,28 0.235,29 3.487,30 3.487,31 5.487,32 3.487,33 5.551,34 1,35 2.719,36 7.139,37 4.238,38 2.071,40 1.219,41 4.574,42 4.574,43 1,44 0.887,45 8.878,46 9.573,47 4.104,48 1.524,49 4.183,50 2.423,51 2.423,52 10.635,54 56.857,55 12.399,56 0.819,57 7.928,59 5.519,60 1,61 0.819,62 1.887,63 6,64 1.245,66 5.444,67 -0.918,68 1.561,69 4.301}
{0 CHEMBL448996,1 1,2 1,3 3.585,4 7.231,5 7.231,6 3.869,7 1,8 1,9 12.112,10 12.112,11 12.112,12 6.112,13 24.616,14 4.321,15 4.321,16 2.651,17 19.45,18 25.32,19 1,20 2,21 4.101,22 4.101,23 1,24 42.683,25 1,27 6.101,28 0.294,29 3.37,30 3.37,31 5.37,32 3.37,33 5.399,34 1,35 2.684,36 7.139,37 4.243,38 2.166,40 1.426,41 4.603,42 4.603,43 1,44 0.973,45 8.878,46 9.522,47 4.104,48 1.772,49 4.33,50 2.423,51 2.423,52 10.635,53 2.169,54 123.191,55 12.399,56 1.039,57 7.928,58 1.2,59 5.562,60 2,61 0.899,62 2.014,63 7,64 1.168,66 5.442,67 -0.958,68 1.799,69 5}
{0 CHEMBL450050,1 1,2 1,3 3.585,4 7.224,5 7.224,6 3.869,7 1,8 1,9 12.055,10 12.055,11 12.055,12 6.112,13 24.456,14 4.307,15 4.307,16 2.654,17 19.306,18 25.343,20 1,21 4.099,22 4.099,23 1,24 42.683,25 1,27 6.099,28 0.294,29 3.354,30 3.354,31 5.354,32 3.354,33 5.383,35 2.684,36 7.139,37 4.243,38 2.166,40 1.405,41 4.603,42 4.603,44 1.086,45 8.878,46 9.398,47 4.104,48 1.772,49 4.318,50 2.423,51 2.423,52 10.635,53 2.181,54 123.191,55 12.399,56 1.043,57 7.928,58 1.2,59 5.559,60 2,61 0.833,62 2.014,63 7,64 1.168,66 5.442,67 -0.958,68 1.799,69 5}
{0 CHEMBL450774,1 1,2 1,3 3.587,4 7.224,5 7.224,6 3.859,7 1,8 1,9 12.055,10 12.055,11 12.055,12 6.111,13 24.349,14 4.307,15 4.307,16 2.685,17 19.307,18 24.871,20 1,21 4.099,22 4.099,23 1,24 42.683,25 1,27 6.099,28 0.322,29 3.354,30 3.354,31 5.354,32 3.354,33 5.384,35 2.617,36 7.139,37 4.238,38 2.166,40 1.252,41 4.603,42 4.603,44 1.003,45 8.878,46 9.336,47 4.104,48 1.784,49 4.415,50 2.423,51 2.423,52 10.635,53 4.045,54 132.239,55 12.399,56 1.019,57 7.928,58 1.3,59 5.51,60 2,61 0.792,62 1.987,63 6,64 1.053,66 5.441,67 -1.157,68 1.819,69 5}
{0 CHEMBL451216,1 1,2 1,3 3.591,4 7.224,5 7.224,6 3.859,7 1,8 1,9 12.055,10 12.055,11 12.055,12 6.111,13 24.687,14 4.307,15 4.307,16 2.677,17 18.987,18 29.29,20 1,21 4.099,22 4.099,23 1,24 42.683,25 1,27 6.099,28 0.302,29 3.354,30 3.354,31 5.354,32 3.354,33 5.383,35 2.617,36 7.139,37 4.238,38 2.162,40 1.496,41 4.559,42 4.559,44 1.103,45 8.878,46 9.331,47 4.104,48 1.749,49 4.415,50 2.423,51 2.423,52 10.635,53 4.208,54 141.715,55 12.399,56 0.985,57 7.928,58 1.3,59 5.467,60 2,61 1.057,62 2.021,63 5,64 1.133,66 5.441,67 -0.998,68 1.781,69 5}
{0 CHEMBL451681,1 1,2 1,3 3.585,4 7.224,5 7.224,6 3.859,7 1,8 1,9 12.055,10 12.055,11 12.055,12 6.111,13 24.331,14 4.307,15 4.307,16 2.676,17 19.307,18 26.319,20 1,21 4.099,22 4.099,23 1,24 42.683,25 1,27 6.099,28 0.303,29 3.354,30 3.354,31 5.354,32 3.354,33 5.383,35 2.617,36 7.139,37 4.238,38 2.165,40 1.465,41 4.603,42 4.603,44 1.086,45 8.878,46 9.337,47 4.104,48 1.782,49 4.415,50 2.423,51 2.423,52 10.635,53 4.178,54 113.286,55 12.399,56 0.966,57 7.928,58 2.7,59 5.51,60 2,61 0.743,62 1.95,63 5,64 1.189,66 5.441,67 -1.026,68 1.819,69 5}
{0 CHEMBL452054,1 1,2 1,3 3.51,4 7.015,5 7.015,6 3.863,7 1,8 1,9 11.972,10 11.972,11 11.972,12 6.111,13 11.124,14 4.282,15 4.282,16 2.707,17 19.203,18 17.781,21 3.775,22 3.775,23 1,24 42.683,25 1,27 5.775,28 0.379,29 3.335,30 3.335,31 5.335,32 3.335,33 5.371,35 2.656,36 7.139,37 4.238,38 2.006,40 1.163,41 4.752,42 4.752,43 1,44 1.067,45 8.878,46 9.112,47 4.104,48 1.365,49 4.014,50 2.423,51 2.423,52 10.635,53 1.609,54 85.286,55 12.399,56 0.602,57 7.928,58 3.8,59 5.582,60 2,61 0.905,62 1.917,63 7,64 1.221,65 -0.973,66 5.441,67 -1.04,68 1.399,69 4.301}
{0 CHEMBL452299,1 1,2 1,3 3.686,4 7.134,5 7.134,6 3.863,7 1,8 1,9 12.393,10 12.393,11 12.393,12 6.111,13 24.542,14 4.363,15 4.363,16 2.696,17 20.067,18 19.735,20 1,21 3.774,22 3.774,23 1,24 42.683,25 1,27 5.774,28 0.381,29 3.387,30 3.387,31 5.387,32 3.387,33 5.418,35 2.656,36 7.139,37 4.238,38 2.036,40 1.169,41 4.796,42 4.796,43 1,44 1.1,45 8.878,46 9.104,47 4.104,48 1.525,49 4.091,50 2.423,51 2.423,52 10.635,53 1.486,54 94.762,55 12.399,56 0.605,57 7.928,58 3.5,59 5.626,60 2,61 1.186,62 1.926,63 6,64 1.224,65 -0.954,66 5.441,67 -1.113,68 1.537,69 4.301}
{0 CHEMBL454508,1 1,2 1,3 3.619,4 7.224,5 7.224,6 3.859,7 1,8 1,9 12.055,10 12.055,11 12.055,12 6.111,13 24.679,14 4.307,15 4.307,16 2.676,17 19.689,18 29.011,20 1,21 4.099,22 4.099,23 1,24 42.683,25 1,27 6.099,28 0.302,29 3.354,30 3.354,31 5.354,32 3.354,33 5.384,35 2.617,36 7.139,37 4.238,38 2.167,40 1.454,41 4.676,42 4.676,43 1,44 1.091,45 8.878,46 9.344,47 4.104,48 1.784,49 4.415,50 2.423,51 2.423,52 10.635,53 4.057,54 141.715,55 12.399,56 1.019,57 7.928,58 1.3,59 5.583,60 2,61 0.738,62 2.009,63 5,64 1.133,66 5.441,67 -0.986,68 1.82,69 5}
{0 CHEMBL454651,1 1,2 1,3 3.598,4 7.224,5 7.224,6 3.895,7 1,8 1,9 12.052,10 12.052,11 12.052,12 6.111,13 23.936,14 4.316,15 4.316,16 2.709,17 18.973,18 16.985,20 3,21 4.099,22 4.099,23 1,24 60.694,25 1,27 6.099,28 0.283,29 3.352,30 3.352,31 5.352,32 3.352,33 5.375,34 1,35 2.708,36 7.141,37 4.238,38 2.092,40 1.274,41 4.493,42 4.493,44 1.127,45 8.879,46 9.172,47 4.104,48 1.58,49 4.405,50 2.423,51 2.423,52 10.635,54 85.286,55 12.399,56 0.66,57 7.928,58 4.7,59 5.375,60 2,61 0.761,62 1.865,63 6,64 1.244,66 5.451,67 -1.269,68 1.574,69 5}
{0 CHEMBL454678,1 1,2 1,3 3.575,4 7.228,5 7.228,6 3.895,7 1,8 1,9 12.079,10 12.079,11 12.079,12 6.111,13 24.033,14 4.312,15 4.312,16 2.704,17 19.08,18 15.569,20 3,21 4.1,22 4.1,23 1,24 60.694,25 1,27 6.1,28 0.337,29 3.36,30 3.36,31 5.36,32 3.36,33 5.372,34 1,35 2.708,36 7.141,37 4.238,38 2.083,40 1.307,41 4.476,42 4.476,44 0.844,45 8.879,46 9.259,47 4.104,48 1.677,49 4.176,50 2.423,51 2.423,52 10.635,54 75.81,55 12.399,56 0.771,57 7.928,58 4.5,59 5.356,60 3,61 0.992,62 1.906,63 7,64 1.253,65 0.599,66 5.451,67 -1.298,68 1.682,69 5.686}
{0 CHEMBL455126,1 1,2 1,3 3.686,4 7.134,5 7.134,6 3.863,7 1,8 1,9 12.393,10 12.393,11 12.393,12 6.111,13 24.542,14 4.363,15 4.363,16 2.696,17 20.067,18 19.735,20 1,21 3.774,22 3.774,23 1,24 42.683,25 1,27 5.774,28 0.381,29 3.387,30 3.387,31 5.387,32 3.387,33 5.418,35 2.656,36 7.139,37 4.238,38 2.036,40 1.169,41 4.796,42 4.796,43 1,44 1.1,45 8.878,46 9.104,47 4.104,48 1.525,49 4.091,50 2.423,51 2.423,52 10.635,53 1.486,54 94.762,55 12.399,56 0.605,57 7.928,58 3.5,59 5.626,60 2,61 1.186,62 1.926,63 6,64 1.224,65 -0.954,66 5.441,67 -1.113,68 1.537,69 4.301}
{0 CHEMBL455127,1 1,2 1,3 3.687,4 7.135,5 7.135,6 3.863,7 1,8 1,9 12.396,10 12.396,11 12.396,12 6.111,13 24.528,14 4.364,15 4.364,16 2.788,17 20.07,18 16.101,21 3.775,22 3.775,23 1,24 42.683,25 1,27 5.775,28 0.406,29 3.389,30 3.389,31 5.389,32 3.389,33 5.42,35 2.656,36 7.139,37 4.238,38 2.018,40 1.261,41 4.797,42 4.797,43 1,44 1.262,45 8.878,46 9.085,47 4.104,48 1.525,49 4.167,50 2.423,51 2.423,52 10.635,53 1.203,54 85.286,55 12.399,56 0.604,57 7.928,58 3.5,59 5.628,60 2,61 1.211,62 1.924,63 7,64 1.11,65 -1.081,66 5.441,67 -1.297,68 1.537,69 4.301}
{0 CHEMBL455130,1 1,2 1,3 3.502,4 7.014,5 7.014,6 3.863,7 1,8 1,9 11.968,10 11.968,11 11.968,12 6.111,13 11.072,14 4.28,15 4.28,16 2.838,17 19.193,18 16.913,20 1,21 3.778,22 3.778,23 1,24 42.683,25 1,27 5.778,28 0.39,29 3.332,30 3.332,31 5.332,32 3.332,33 5.369,35 2.656,36 7.139,37 4.238,38 2.018,40 1.076,41 4.751,42 4.751,43 1,44 0.975,45 8.878,46 9.051,47 4.104,48 1.366,49 4.015,50 2.423,51 2.423,52 10.635,53 1.54,54 85.286,55 12.399,56 0.583,57 7.928,58 3.8,59 5.583,60 2,61 0.877,62 1.917,63 7,64 1.096,65 -1.171,66 5.441,67 -1.171,68 1.391,69 4.301}
{0 CHEMBL455157,1 1,2 1,3 3.575,4 7.228,5 7.228,6 3.895,7 1,8 1,9 12.079,10 12.079,11 12.079,12 6.111,13 23.99,14 4.312,15 4.312,16 2.705,17 19.08,18 15.476,20 3,21 4.1,22 4.1,23 1,24 60.694,25 1,27 6.1,28 0.348,29 3.36,30 3.36,31 5.36,32 3.36,33 5.372,34 1,35 2.708,36 7.141,37 4.238,38 2.079,40 1.364,41 4.478,42 4.478,44 0.926,45 8.879,46 9.249,47 4.104,48 1.622,49 4.177,50 2.423,51 2.423,52 10.635,54 75.81,55 12.399,56 0.73,57 7.928,58 4.7,59 5.357,60 3,61 0.963,62 1.866,63 7,64 1.244,65 0.458,66 5.451,67 -1.301,68 1.641,69 5.314}
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{0 CHEMBL455957,1 1,2 1,3 3.729,4 7.111,5 7.111,6 5.585,7 1,8 1,9 11.658,10 11.658,11 11.658,12 9.418,13 23.497,14 4.175,15 4.175,16 5.757,17 18.559,18 6.418,20 1,21 4.46,22 4.46,23 1,24 60.694,25 1,26 1,27 6.46,28 0.336,29 3.315,30 3.315,31 5.315,32 3.315,33 5.189,35 3.516,36 10.755,37 6.762,38 2.056,40 1.055,41 4.449,42 4.449,44 0.807,45 13.424,46 9.2,47 5.409,48 1.453,49 4.084,50 3.825,51 3.825,52 16.102,54 56.857,55 18.784,56 0.536,57 12.086,58 2,59 5.333,60 1,61 1.062,62 1.889,63 6,64 0.96,65 -0.688,66 8.115,67 -1.639,68 1.442,69 7.229}
{0 CHEMBL456355,1 1,2 1,3 3.731,4 7.681,5 7.681,6 3.728,7 1,8 1,9 14.245,10 14.245,11 14.245,12 5.889,13 24.55,14 4.567,15 4.567,16 2.648,17 21.864,18 7.917,20 5,21 3.748,22 3.748,23 1,24 60.694,25 1,26 1,27 5.748,28 0.355,29 3.567,30 3.567,31 5.567,32 3.567,33 5.598,34 3,35 2.626,36 6.853,37 4.112,38 2.248,40 0.875,41 4.65,42 4.65,44 1.351,45 8.527,46 9.42,47 3.925,48 1.606,49 4.273,50 2.341,51 2.341,52 10.216,54 47.381,55 11.912,56 0.947,57 7.625,58 1.3,59 5.65,60 2,61 1.753,62 1.955,63 7,64 1.035,65 1.52,66 5.223,67 -1.528,68 1.599,69 6.745}
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{0 CHEMBL456973,1 1,2 1,3 3.731,4 7.679,5 7.679,6 3.728,7 1,8 1,9 14.234,10 14.234,11 14.234,12 5.889,13 24.362,14 4.563,15 4.563,16 2.612,17 21.767,18 11.025,20 4,21 3.735,22 3.735,23 1,24 60.694,25 1,26 1,27 5.735,28 0.353,29 3.563,30 3.563,31 5.563,32 3.563,33 5.58,34 3,35 2.626,36 6.853,37 4.112,38 2.25,40 0.953,41 4.632,42 4.632,44 1.161,45 8.527,46 9.359,47 3.925,48 1.532,49 4.128,50 2.341,51 2.341,52 10.216,54 56.857,55 11.912,56 0.947,57 7.625,58 1.4,59 5.632,60 2,61 1.457,62 1.981,63 6,64 1.064,65 1.955,66 5.223,67 -1.142,68 1.552,69 6.553}
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{0 CHEMBL457062,1 1,2 1,3 3.577,4 7.228,5 7.228,6 3.927,7 1,8 1,9 12.079,10 12.079,11 12.079,12 6.112,13 24.638,14 4.317,15 4.317,16 2.706,17 19.08,18 15.785,19 1,20 3,21 4.1,22 4.1,23 1,24 60.694,25 1,27 6.1,28 0.275,29 3.36,30 3.36,31 5.36,32 3.36,33 5.42,34 1,35 2.858,36 7.142,37 4.243,38 2.095,40 1.173,41 4.514,42 4.514,43 2,44 0.994,45 8.879,46 9.352,47 4.104,48 1.761,49 4.401,50 2.423,51 2.423,52 10.635,54 75.81,55 12.399,56 0.934,57 7.928,58 4.8,59 5.514,60 3,61 0.915,62 1.966,63 7,64 1.394,66 5.456,67 -1.296,68 1.739,69 4.602}
{0 CHEMBL457405,1 1,2 1,3 3.731,4 7.681,5 7.681,6 3.728,7 1,8 1,9 14.245,10 14.245,11 14.245,12 5.889,13 24.455,14 4.567,15 4.567,16 2.65,17 21.864,18 7.87,20 4,21 3.748,22 3.748,23 1,24 60.694,25 1,26 1,27 5.748,28 0.365,29 3.567,30 3.567,31 5.567,32 3.567,33 5.589,34 3,35 2.626,36 6.853,37 4.112,38 2.248,40 0.861,41 4.65,42 4.65,44 1.286,45 8.527,46 9.388,47 3.925,48 1.604,49 4.273,50 2.341,51 2.341,52 10.216,54 47.381,55 11.912,56 0.947,57 7.625,58 1.3,59 5.65,60 2,61 1.678,62 1.955,63 7,64 1.023,65 1.521,66 5.223,67 -1.534,68 1.599,69 7.26}
{0 CHEMBL457623,1 1,2 1,3 3.731,4 7.681,5 7.681,6 3.728,7 1,8 1,9 14.245,10 14.245,11 14.245,12 5.889,13 24.55,14 4.567,15 4.567,16 2.648,17 21.864,18 7.917,20 5,21 3.748,22 3.748,23 1,24 60.694,25 1,26 1,27 5.748,28 0.355,29 3.567,30 3.567,31 5.567,32 3.567,33 5.598,34 3,35 2.626,36 6.853,37 4.112,38 2.248,40 0.875,41 4.65,42 4.65,44 1.351,45 8.527,46 9.42,47 3.925,48 1.606,49 4.273,50 2.341,51 2.341,52 10.216,54 47.381,55 11.912,56 0.947,57 7.625,58 1.3,59 5.65,60 2,61 1.753,62 1.955,63 7,64 1.035,65 1.52,66 5.223,67 -1.528,68 1.599,69 7.553}
{0 CHEMBL458899,3 3.075,4 6.663,5 6.663,6 2.158,7 5,8 3,9 10.498,10 10.498,11 10.498,14 4.107,15 4.107,16 2.917,17 18.023,18 11.093,19 1,20 10,21 3.562,22 3.562,23 8,24 341.467,27 5.562,28 0.379,29 3.157,30 3.157,31 5.157,32 3.157,33 5.157,34 10,35 1.693,36 3.372,38 2.066,40 0.909,41 4.215,42 4.215,44 1.03,45 4.015,46 79.18,47 2.783,48 1.569,49 4.014,50 1.392,51 1.392,52 4.667,54 280.11,55 5.323,56 0.823,59 5.215,61 0.95,62 1.925,63 5,64 1.143,65 -8.555,66 2.745,68 1.56,69 4.807}
{0 CHEMBL459466,1 1,2 1,3 3.688,4 7.138,5 7.138,6 3.885,7 1,8 1,9 12.413,10 12.413,11 12.413,12 6.111,13 24.809,14 4.369,15 4.369,16 2.762,17 20.086,18 15.659,20 1,21 3.779,22 3.779,23 1,24 42.683,25 1,27 5.779,28 0.406,29 3.395,30 3.395,31 5.395,32 3.395,33 5.428,35 2.754,36 7.139,37 4.238,38 2.014,40 1.192,41 4.805,42 4.805,43 2,44 1.145,45 8.878,46 9.19,47 4.104,48 1.554,49 4.187,50 2.423,51 2.423,52 10.635,53 1.277,54 85.286,55 12.399,56 0.606,57 7.928,58 3.3,59 5.638,60 3,61 1.117,62 1.907,63 8,64 1.278,65 -1.063,66 5.444,67 -1.233,68 1.557,69 4.301}
{0 CHEMBL459581,1 1,2 1,3 4.46,4 7.111,5 7.111,6 6.074,7 1,8 1,9 11.657,10 11.657,11 11.657,12 9.425,13 10.514,14 4.17,15 4.17,16 5.758,17 18.533,18 8.127,21 4.489,22 4.489,23 1,24 42.683,25 1,27 6.489,28 0.229,29 3.314,30 3.314,31 5.314,32 3.314,33 5.296,35 4.016,36 10.98,37 6.771,38 1.993,40 0.796,41 4.439,42 4.439,44 0.955,45 13.565,46 8.602,47 6.775,48 1.4,49 4.179,50 3.825,51 3.825,52 16.188,54 66.334,55 18.836,56 0.485,57 12.09,59 5.355,60 3,61 1.295,62 1.689,63 5,64 0.88,66 8.462,67 -1.129,68 1.338,69 6.833}
{0 CHEMBL459789,1 1,2 1,3 4.46,4 7.202,5 7.202,6 6.067,7 1,8 1,9 12.656,10 12.656,11 12.656,12 9.425,13 10.67,14 4.32,15 4.32,16 5.654,17 19.533,18 9.857,21 4.466,22 4.466,23 1,24 42.683,25 1,27 6.466,28 0.204,29 3.344,30 3.344,31 5.344,32 3.344,33 5.448,35 4.014,36 10.98,37 6.771,38 1.996,40 0.801,41 4.44,42 4.44,44 0.736,45 13.565,46 8.741,47 6.775,48 1.426,49 4.235,50 3.825,51 3.825,52 16.188,54 66.334,55 18.836,56 0.615,57 12.09,59 5.44,60 3,61 0.657,62 1.906,63 5,64 0.98,66 8.46,67 -1.051,68 1.456,69 7.341}
{0 CHEMBL459790,1 1,2 1,3 4.443,4 7.111,5 7.111,6 6.234,7 1,8 1,9 11.657,10 11.657,11 11.657,12 9.425,13 10.621,14 4.17,15 4.17,16 5.618,17 18.533,18 10.151,21 4.46,22 4.46,23 1,24 42.683,25 1,27 6.46,28 0.285,29 3.313,30 3.313,31 5.313,32 3.313,33 5.295,35 4.06,36 11.217,37 6.771,38 2.004,40 0.76,41 4.439,42 4.439,44 0.76,45 13.788,46 8.704,47 7.112,48 1.414,49 4.107,50 3.825,51 3.825,52 16.383,54 66.334,55 18.999,56 0.605,57 12.09,59 5.355,60 3,61 0.61,62 1.935,63 5,64 0.929,66 8.685,67 1.074,68 1.451,69 7.652}
{0 CHEMBL460073,1 1,2 1,3 3.689,4 7.138,5 7.138,6 3.885,7 1,8 1,9 12.415,10 12.415,11 12.415,12 6.111,13 24.795,14 4.37,15 4.37,16 2.739,17 20.089,18 15.425,21 3.775,22 3.775,23 1,24 42.683,25 1,27 5.775,28 0.406,29 3.396,30 3.396,31 5.396,32 3.396,33 5.428,35 2.754,36 7.139,37 4.238,38 2.014,40 1.225,41 4.806,42 4.806,43 2,44 1.132,45 8.878,46 9.17,47 4.104,48 1.555,49 4.18,50 2.423,51 2.423,52 10.635,53 1.238,54 85.286,55 12.399,56 0.614,57 7.928,58 3.3,59 5.636,60 2,61 1.034,62 1.908,63 8,64 1.278,65 -1.021,66 5.444,67 -1.221,68 1.558,69 4.301}
{0 CHEMBL460278,1 1,2 1,3 3.577,4 7.228,5 7.228,6 3.895,7 1,8 1,9 12.079,10 12.079,11 12.079,12 6.111,13 24.182,14 4.317,15 4.317,16 2.704,17 19.08,18 15.624,20 3,21 4.1,22 4.1,23 1,24 60.694,25 1,27 6.1,28 0.296,29 3.36,30 3.36,31 5.36,32 3.36,33 5.377,34 1,35 2.708,36 7.141,37 4.238,38 2.095,40 1.274,41 4.513,42 4.513,44 0.949,45 8.879,46 9.277,47 4.104,48 1.683,49 4.4,50 2.423,51 2.423,52 10.635,54 75.81,55 12.399,56 0.788,57 7.928,58 4.3,59 5.393,60 3,61 0.891,62 1.889,63 7,64 1.262,66 5.451,67 -1.293,68 1.691,69 4.602}
{0 CHEMBL461145,1 1,2 1,3 3.604,4 7.228,5 7.228,6 3.898,7 1,8 1,9 12.079,10 12.079,11 12.079,12 6.111,13 24.413,14 4.316,15 4.316,16 2.709,17 19.08,18 15.441,20 3,21 4.1,22 4.1,23 1,24 60.694,25 1,27 6.1,28 0.288,29 3.36,30 3.36,31 5.36,32 3.36,33 5.377,34 1,35 2.743,36 7.141,37 4.238,38 2.092,40 1.275,41 4.503,42 4.503,44 0.947,45 8.879,46 9.295,47 4.104,48 1.665,49 4.412,50 2.423,51 2.423,52 10.635,54 85.286,55 12.399,56 0.78,57 7.928,58 4.2,59 5.388,60 3,61 0.958,62 1.87,63 7,64 1.237,66 5.451,67 -1.286,68 1.667,69 5.939}
{0 CHEMBL461378,1 1,2 1,3 3.519,4 7.02,5 7.02,6 3.863,7 1,8 1,9 11.998,10 11.998,11 11.998,12 6.111,13 11.121,14 4.29,15 4.29,16 2.748,17 19.253,18 14.676,21 3.775,22 3.775,23 1,24 42.683,25 1,27 5.775,28 0.404,29 3.343,30 3.343,31 5.343,32 3.343,33 5.379,35 2.656,36 7.139,37 4.238,38 2.002,40 1.022,41 4.762,42 4.762,43 1,44 1.083,45 8.878,46 9.102,47 4.104,48 1.366,49 4.019,50 2.423,51 2.423,52 10.635,53 1.018,54 85.286,55 12.399,56 0.598,57 7.928,58 3.8,59 5.592,60 2,61 0.978,62 1.897,63 8,64 1.093,65 -1.025,66 5.441,67 -1.081,68 1.395,69 4.301}
{0 CHEMBL461379,1 1,2 1,3 3.512,4 7.019,5 7.019,6 3.863,7 1,8 1,9 11.993,10 11.993,11 11.993,12 6.111,13 11.069,14 4.288,15 4.288,16 2.879,17 19.242,18 13.807,20 1,21 3.778,22 3.778,23 1,24 42.683,25 1,27 5.778,28 0.415,29 3.341,30 3.341,31 5.341,32 3.341,33 5.377,35 2.656,36 7.139,37 4.238,38 2.015,40 0.995,41 4.761,42 4.761,43 1,44 1.011,45 8.878,46 9.042,47 4.104,48 1.367,49 4.02,50 2.423,51 2.423,52 10.635,53 0.948,54 85.286,55 12.399,56 0.578,57 7.928,58 3.8,59 5.593,60 2,61 1.01,62 1.897,63 8,64 1.022,65 -1.223,66 5.441,67 -1.212,68 1.387,69 4.301}
{0 CHEMBL461474,1 1,2 1,3 4.439,4 7.201,5 7.201,6 6.049,7 1,8 1,9 12.651,10 12.651,11 12.651,12 9.425,13 10.72,14 4.323,15 4.323,16 5.615,17 19.527,18 10.496,21 4.46,22 4.46,23 1,24 42.683,25 1,27 6.46,28 0.193,29 3.338,30 3.338,31 5.338,32 3.338,33 5.451,35 3.931,36 10.979,37 6.771,38 2.063,40 0.662,41 4.44,42 4.44,44 0.714,45 13.564,46 8.786,47 6.775,48 1.577,49 4.234,50 3.825,51 3.825,52 16.188,54 66.334,55 18.836,56 0.702,57 12.09,59 5.356,60 3,61 0.515,62 1.978,63 5,64 0.999,66 8.457,67 -1.023,68 1.606,69 8.066}
{0 CHEMBL461533,1 1,2 1,3 3.598,4 7.228,5 7.228,6 3.895,7 1,8 1,9 12.079,10 12.079,11 12.079,12 6.111,13 24.077,14 4.312,15 4.312,16 2.704,17 19.08,18 15.419,20 3,21 4.1,22 4.1,23 1,24 60.694,25 1,27 6.1,28 0.348,29 3.36,30 3.36,31 5.36,32 3.36,33 5.372,34 1,35 2.708,36 7.141,37 4.238,38 2.076,40 1.397,41 4.47,42 4.47,44 0.92,45 8.879,46 9.253,47 4.104,48 1.599,49 4.176,50 2.423,51 2.423,52 10.635,54 75.81,55 12.399,56 0.753,57 7.928,58 4.7,59 5.352,60 3,61 1.003,62 1.866,63 7,64 1.244,65 0.456,66 5.451,67 -1.26,68 1.605,69 5.866}
{0 CHEMBL461944,1 1,2 1,3 3.513,4 7.019,5 7.019,6 3.863,7 1,8 1,9 11.993,10 11.993,11 11.993,12 6.111,13 11.171,14 4.287,15 4.287,16 2.744,17 19.242,18 15.915,20 1,21 3.779,22 3.779,23 1,24 42.683,25 1,27 5.779,28 0.393,29 3.341,30 3.341,31 5.341,32 3.341,33 5.376,35 2.656,36 7.139,37 4.238,38 2.009,40 1.106,41 4.761,42 4.761,43 1,44 1.074,45 8.878,46 9.144,47 4.104,48 1.344,49 4.02,50 2.423,51 2.423,52 10.635,53 1.456,54 85.286,55 12.399,56 0.588,57 7.928,58 3.8,59 5.593,60 3,61 0.957,62 1.888,63 8,64 1.221,65 -1.035,66 5.441,67 -1.077,68 1.379,69 4.301}
{0 CHEMBL462378,1 1,2 1,3 3.689,4 7.138,5 7.138,6 3.885,7 1,8 1,9 12.415,10 12.415,11 12.415,12 6.111,13 24.699,14 4.37,15 4.37,16 2.8,17 20.089,18 14.256,21 3.775,22 3.775,23 1,24 42.683,25 1,27 5.775,28 0.416,29 3.396,30 3.396,31 5.396,32 3.396,33 5.428,35 2.754,36 7.139,37 4.238,38 2.014,40 1.267,41 4.806,42 4.806,43 2,44 1.284,45 8.878,46 9.122,47 4.104,48 1.555,49 4.18,50 2.423,51 2.423,52 10.635,53 1.051,54 85.286,55 12.399,56 0.613,57 7.928,58 3.3,59 5.636,60 2,61 1.106,62 1.909,63 8,64 1.161,65 -1.1,66 5.444,67 -1.343,68 1.558,69 4.301}
{0 CHEMBL462554,1 1,2 1,3 3.577,4 7.228,5 7.228,6 3.917,7 1,8 1,9 12.079,10 12.079,11 12.079,12 6.111,13 24.338,14 4.317,15 4.317,16 2.71,17 19.08,18 15.522,19 1,20 3,21 4.1,22 4.1,23 1,24 60.694,25 1,27 6.1,28 0.282,29 3.36,30 3.36,31 5.36,32 3.36,33 5.377,34 1,35 2.802,36 7.142,37 4.238,38 2.095,40 1.223,41 4.514,42 4.514,43 1,44 1,45 8.879,46 9.3,47 4.104,48 1.702,49 4.401,50 2.423,51 2.423,52 10.635,54 75.81,55 12.399,56 0.788,57 7.928,58 4.1,59 5.395,60 3,61 0.931,62 1.877,63 7,64 1.312,66 5.454,67 -1.327,68 1.697,69 4.602}
{0 CHEMBL462580,1 1,2 1,3 3.598,4 7.228,5 7.228,6 3.895,7 1,8 1,9 12.079,10 12.079,11 12.079,12 6.111,13 24.132,14 4.316,15 4.316,16 2.705,17 19.08,18 15.451,20 3,21 4.1,22 4.1,23 1,24 60.694,25 1,27 6.1,28 0.306,29 3.36,30 3.36,31 5.36,32 3.36,33 5.376,34 1,35 2.708,36 7.141,37 4.238,38 2.092,40 1.279,41 4.493,42 4.493,44 0.956,45 8.879,46 9.263,47 4.104,48 1.602,49 4.405,50 2.423,51 2.423,52 10.635,54 75.81,55 12.399,56 0.753,57 7.928,58 4.5,59 5.375,60 3,61 1.029,62 1.866,63 7,64 1.253,66 5.451,67 -1.263,68 1.606,69 5.665}
{0 CHEMBL462982,1 1,2 1,3 3.731,4 7.111,5 7.111,6 5.585,7 1,8 1,9 11.658,10 11.658,11 11.658,12 9.418,13 23.496,14 4.175,15 4.175,16 5.751,17 18.551,18 6.273,20 1,21 4.46,22 4.46,23 1,24 60.694,25 1,26 1,27 6.46,28 0.336,29 3.315,30 3.315,31 5.315,32 3.315,33 5.189,35 3.516,36 10.755,37 6.762,38 2.053,40 1.132,41 4.448,42 4.448,44 0.756,45 13.424,46 9.193,47 5.409,48 1.453,49 4.085,50 3.825,51 3.825,52 16.102,54 56.857,55 18.784,56 0.535,57 12.086,58 2,59 5.332,60 2,61 0.79,62 1.892,63 6,64 0.96,65 -0.762,66 8.115,67 -1.654,68 1.442,69 7.699}
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{0 CHEMBL467510,1 1,2 1,3 3.277,4 6.8,5 6.8,6 2.362,7 1,8 1,9 11.24,10 11.24,11 11.24,13 11.287,14 4.176,15 4.176,16 2.724,17 18.65,18 18.169,20 3,21 3.579,22 3.579,23 1,24 42.683,27 5.579,28 0.343,29 3.19,30 3.19,31 5.19,32 3.19,33 5.219,34 1,35 1.888,36 3.635,38 2.086,40 0.815,41 4.544,42 4.544,44 1.133,45 4.335,46 9.245,47 2.873,48 1.263,49 3.972,50 1.437,51 1.437,52 5.05,54 94.762,55 5.77,56 0.458,58 2.1,59 5.383,60 2,61 1.067,62 1.901,63 7,64 1.069,65 0.387,66 2.965,67 -1.057,68 1.308,69 4.7}
{0 CHEMBL469534,1 1,2 1,3 4.439,4 7.111,5 7.111,6 6.226,7 1,8 1,9 11.657,10 11.657,11 11.657,12 9.425,13 10.558,14 4.17,15 4.17,16 5.592,17 18.533,18 10.325,20 2,21 4.46,22 4.46,23 1,24 60.694,25 1,27 6.46,28 0.267,29 3.313,30 3.313,31 5.313,32 3.313,33 5.284,35 4.012,36 11.217,37 6.771,38 2.015,40 0.773,41 4.439,42 4.439,44 0.732,45 13.787,46 8.653,47 7.112,48 1.402,49 3.843,50 3.825,51 3.825,52 16.383,54 66.334,55 18.998,56 0.532,57 12.09,58 2.1,59 5.355,60 3,61 0.847,62 1.834,63 5,64 0.917,66 8.684,67 -0.15,68 1.401,69 6.301}
{0 CHEMBL469744,1 1,2 1,3 3.629,4 6.072,5 6.072,6 5.65,7 1,8 1,9 8.775,10 8.775,11 8.775,12 6.111,13 10.542,14 3.832,15 3.832,16 2.65,17 15.03,18 15.341,21 4.439,22 4.439,23 1,24 42.683,25 1,27 6.439,28 0.257,29 2.875,30 2.875,31 4.875,32 2.875,33 4.954,35 3.616,36 10.258,37 4.238,38 2.003,40 0.563,41 4.244,42 4.244,44 0.867,45 12.617,46 8.648,47 6.574,48 1.226,49 3.676,50 3.287,51 3.287,52 14.986,54 75.81,55 17.36,56 0.483,57 7.928,59 5.158,60 3,61 0.458,62 1.824,63 4,64 1.055,66 7.923,67 0.01,68 1.246,69 6.148}
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{0 CHEMBL470322,1 1,2 1,3 3.575,4 7.228,5 7.228,6 3.927,7 1,8 1,9 12.079,10 12.079,11 12.079,12 6.112,13 24.121,14 4.312,15 4.312,16 2.707,17 19.08,18 15.439,20 3,21 4.1,22 4.1,23 1,24 60.694,25 1,27 6.1,28 0.316,29 3.36,30 3.36,31 5.36,32 3.36,33 5.415,35 2.858,36 7.142,37 4.243,38 2.047,40 1.339,41 4.478,42 4.478,43 1,44 0.872,45 8.879,46 9.276,47 4.104,48 1.678,49 4.177,50 2.423,51 2.423,52 10.635,54 75.81,55 12.399,56 0.791,57 7.928,58 5.9,59 5.478,60 3,61 0.98,62 1.868,63 7,64 1.374,66 5.456,67 -1.312,68 1.677,69 7.456}
{0 CHEMBL470382,1 1,2 1,3 3.629,4 6.072,5 6.072,6 5.654,7 1,8 1,9 8.775,10 8.775,11 8.775,12 6.111,13 10.568,14 3.832,15 3.832,16 2.656,17 15.03,18 13.091,21 4.439,22 4.439,23 1,24 42.683,25 1,27 6.439,28 0.28,29 2.875,30 2.875,31 4.875,32 2.875,33 4.956,35 3.655,36 10.258,37 4.238,38 1.994,40 0.602,41 4.244,42 4.244,44 0.84,45 12.617,46 8.668,47 6.574,48 1.405,49 3.699,50 3.287,51 3.287,52 14.986,54 66.334,55 17.36,56 0.572,57 7.928,59 5.16,60 3,61 0.435,62 1.822,63 5,64 1.136,66 7.923,67 -0.023,68 1.457,69 6.666}
{0 CHEMBL470383,1 1,2 1,3 3.629,4 6.072,5 6.072,6 5.652,7 1,8 1,9 8.775,10 8.775,11 8.775,12 6.112,13 10.586,14 3.832,15 3.832,16 2.652,17 15.03,18 13.641,21 4.439,22 4.439,23 1,24 42.683,25 1,27 6.439,28 0.298,29 2.875,30 2.875,31 4.875,32 2.875,33 4.956,35 3.642,36 10.258,37 4.243,38 2.009,40 0.548,41 4.244,42 4.244,44 0.811,45 12.617,46 8.683,47 6.574,48 1.405,49 3.722,50 3.287,51 3.287,52 14.986,54 66.334,55 17.36,56 0.614,57 7.928,58 1.9,59 5.16,60 3,61 0.444,62 1.829,63 5,64 1.264,66 7.923,67 0.001,68 1.458,69 6.623}
{0 CHEMBL470559,1 1,2 1,3 4.439,4 7.111,5 7.111,6 6.224,7 1,8 1,9 11.657,10 11.657,11 11.657,12 9.425,13 10.564,14 4.171,15 4.171,16 5.564,17 18.533,18 10.729,21 4.46,22 4.46,23 1,24 42.683,25 1,27 6.46,28 0.265,29 3.313,30 3.313,31 5.313,32 3.313,33 5.278,35 3.996,36 11.217,37 6.771,38 2.062,40 0.736,41 4.439,42 4.439,44 0.784,45 13.787,46 8.659,47 7.111,48 1.402,49 3.843,50 3.825,51 3.825,52 16.383,54 66.334,55 18.998,56 0.585,57 12.09,59 5.355,60 3,61 0.815,62 1.852,63 5,64 0.877,66 8.684,67 -0.032,68 1.439,69 7.572}
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{0 CHEMBL470561,1 1,2 1,3 4.46,4 7.253,5 7.253,6 6.599,7 1,8 1,9 12.272,10 12.272,11 12.272,12 10.1,13 10.521,14 4.261,15 4.261,16 5.993,17 19.768,18 7.297,21 4.492,22 4.492,23 1,24 42.683,25 1,27 6.492,28 0.252,29 3.385,30 3.385,31 5.385,32 3.385,33 5.386,35 4.342,36 11.698,37 7.424,38 1.993,40 0.874,41 4.558,42 4.558,44 0.793,45 14.312,46 8.569,47 7.112,48 1.421,49 3.855,50 3.825,51 3.825,52 16.945,54 66.334,55 19.59,56 0.265,57 12.775,59 5.475,60 2,61 0.969,62 1.82,63 5,64 0.86,66 9.113,67 -0.916,68 1.328,69 6}
{0 CHEMBL470586,1 1,2 1,3 3.629,4 6.072,5 6.072,6 5.65,7 1,8 1,9 8.775,10 8.775,11 8.775,12 6.111,13 10.565,14 3.832,15 3.832,16 2.667,17 15.031,18 10.687,21 4.439,22 4.439,23 1,24 42.683,25 1,27 6.439,28 0.305,29 2.876,30 2.876,31 4.876,32 2.876,33 4.957,35 3.616,36 10.258,37 4.238,38 1.993,40 0.597,41 4.245,42 4.245,44 0.88,45 12.617,46 8.664,47 6.574,48 1.21,49 3.695,50 3.287,51 3.287,52 14.986,54 56.857,55 17.36,56 0.481,57 7.928,59 5.162,60 3,61 0.434,62 1.813,63 6,64 1.049,66 7.923,67 -0.093,68 1.234,69 6.86}
{0 CHEMBL471533,1 1,2 1,3 3.575,4 7.228,5 7.228,6 3.895,7 1,8 1,9 12.079,10 12.079,11 12.079,12 6.111,13 24.109,14 4.312,15 4.312,16 2.711,17 19.08,18 22.673,20 3,21 4.1,22 4.1,23 1,24 60.694,25 1,27 6.1,28 0.319,29 3.36,30 3.36,31 5.36,32 3.36,33 5.372,34 1,35 2.708,36 7.141,37 4.238,38 2.072,40 1.426,41 4.481,42 4.481,44 0.838,45 8.879,46 9.273,47 4.104,48 1.672,49 4.218,50 2.423,51 2.423,52 10.635,54 94.762,55 12.399,56 0.726,57 7.928,58 6.3,59 5.36,60 3,61 0.979,62 1.866,63 8,64 1.189,66 5.451,67 -1.326,68 1.671,69 4.602}
{0 CHEMBL472050,1 1,2 1,3 4.439,4 7.111,5 7.111,6 6.233,7 1,8 1,9 11.657,10 11.657,11 11.657,12 9.425,13 10.552,14 4.17,15 4.17,16 5.62,17 18.533,18 9.922,21 4.46,22 4.46,23 1,24 42.683,25 1,27 6.46,28 0.269,29 3.313,30 3.313,31 5.313,32 3.313,33 5.293,35 4.044,36 11.217,37 6.771,38 1.997,40 0.824,41 4.439,42 4.439,44 0.648,45 13.788,46 8.647,47 7.112,48 1.402,49 3.843,50 3.825,51 3.825,52 16.383,54 66.334,55 18.999,56 0.485,57 12.09,59 5.355,60 3,61 0.884,62 1.823,63 5,64 0.896,66 8.685,67 -0.268,68 1.348,69 7.767}
{0 CHEMBL472071,1 1,2 1,3 3.596,4 6.471,5 6.471,6 3.839,7 1,8 1,9 10.005,10 10.005,11 10.005,12 5.889,13 22.291,14 4.02,15 4.02,16 2.409,17 16.502,19 1,21 3.735,22 3.735,23 1,24 42.683,25 1,26 1,27 5.662,28 0.194,29 3.025,30 3.025,31 5.004,32 3.025,33 5.08,34 2,35 2.739,36 6.87,37 4.112,38 2.05,40 0.877,41 4.183,42 4.183,43 1,44 0.956,45 8.532,46 8.565,47 3.925,48 1.561,49 3.131,50 2.341,51 2.341,52 10.218,54 18.952,55 11.912,56 0.751,57 7.625,59 5.152,61 0.793,62 1.894,64 1.417,65 -0.071,66 5.272,67 -0.542,68 1.585,69 5}
{0 CHEMBL472399,1 1,2 1,3 3.575,4 7.228,5 7.228,6 3.895,7 1,8 1,9 12.079,10 12.079,11 12.079,12 6.111,13 24.167,14 4.312,15 4.312,16 2.708,17 19.08,18 23.694,20 3,21 4.1,22 4.1,23 1,24 60.694,25 1,27 6.1,28 0.337,29 3.36,30 3.36,31 5.36,32 3.36,33 5.372,34 1,35 2.708,36 7.141,37 4.238,38 2.105,40 1.394,41 4.486,42 4.486,44 0.837,45 8.879,46 9.285,47 4.104,48 1.678,49 4.339,50 2.423,51 2.423,52 10.635,54 113.715,55 12.399,56 0.755,57 7.928,58 4.4,59 5.365,60 3,61 0.979,62 1.932,63 9,64 1.135,66 5.451,67 -1.316,68 1.679,69 4.602}
{0 CHEMBL472571,1 1,2 1,3 3.575,4 7.228,5 7.228,6 3.895,7 1,8 1,9 12.079,10 12.079,11 12.079,12 6.111,13 24.064,14 4.312,15 4.312,16 2.711,17 19.08,18 20.342,20 3,21 4.1,22 4.1,23 1,24 60.694,25 1,27 6.1,28 0.33,29 3.36,30 3.36,31 5.36,32 3.36,33 5.372,34 1,35 2.708,36 7.141,37 4.238,38 2.046,40 1.418,41 4.481,42 4.481,44 0.867,45 8.879,46 9.263,47 4.104,48 1.574,49 4.227,50 2.423,51 2.423,52 10.635,54 108.765,55 12.399,56 0.655,57 7.928,58 4.8,59 5.361,60 3,61 0.964,62 1.866,63 8,64 1.177,66 5.451,67 -1.33,68 1.546,69 5.788}
{0 CHEMBL473096,1 1,2 1,3 3.576,4 7.229,5 7.229,6 3.917,7 1,8 1,9 12.085,10 12.085,11 12.085,12 6.111,13 24.13,14 4.317,15 4.317,16 2.754,17 19.107,18 15.13,20 3,21 4.101,22 4.101,23 1,24 60.694,25 1,27 6.101,28 0.299,29 3.361,30 3.361,31 5.361,32 3.361,33 5.379,34 1,35 2.802,36 7.142,37 4.238,38 2.095,40 1.241,41 4.504,42 4.504,43 1,44 1.156,45 8.879,46 9.292,47 4.104,48 1.64,49 4.395,50 2.423,51 2.423,52 10.635,54 75.81,55 12.399,56 0.704,57 7.928,58 4.4,59 5.384,60 2,61 1.017,62 1.867,63 7,64 1.298,66 5.454,67 -1.389,68 1.649,69 4.602}
{0 CHEMBL473299,1 1,2 1,3 3.575,4 7.229,5 7.229,6 3.917,7 1,8 1,9 12.085,10 12.085,11 12.085,12 6.111,13 24.119,14 4.312,15 4.312,16 2.753,17 19.107,18 15.191,20 3,21 4.101,22 4.101,23 1,24 60.694,25 1,27 6.101,28 0.33,29 3.361,30 3.361,31 5.361,32 3.361,33 5.375,34 1,35 2.802,36 7.142,37 4.238,38 2.083,40 1.299,41 4.477,42 4.477,43 1,44 1.022,45 8.879,46 9.291,47 4.104,48 1.675,49 4.197,50 2.423,51 2.423,52 10.635,54 75.81,55 12.399,56 0.705,57 7.928,58 4.4,59 5.356,60 2,61 1.052,62 1.906,63 7,64 1.298,65 0.591,66 5.454,67 -1.383,68 1.675,69 4.602}
{0 CHEMBL473300,1 1,2 1,3 3.575,4 7.228,5 7.228,6 3.964,7 1,8 1,9 12.079,10 12.079,11 12.079,12 6.111,13 23.991,14 4.312,15 4.312,16 2.713,17 19.08,18 14.643,20 3,21 4.1,22 4.1,23 1,24 60.694,25 1,27 6.1,28 0.309,29 3.36,30 3.36,31 5.36,32 3.36,33 5.372,35 2.87,36 7.146,37 4.238,38 2.045,40 1.455,41 4.476,42 4.476,43 1,44 0.863,45 8.88,46 9.25,47 4.104,48 1.667,49 4.176,50 2.423,51 2.423,52 10.635,54 85.286,55 12.399,56 0.745,57 7.928,58 4.8,59 5.356,60 3,61 0.996,62 1.866,63 7,64 1.255,66 5.471,67 -1.34,68 1.676,69 4.602}
{0 CHEMBL473717,1 1,2 1,3 3.575,4 7.228,5 7.228,6 3.964,7 1,8 1,9 12.079,10 12.079,11 12.079,12 6.111,13 24.143,14 4.312,15 4.312,16 2.713,17 19.08,18 24.786,20 3,21 4.1,22 4.1,23 1,24 60.694,25 1,27 6.1,28 0.302,29 3.36,30 3.36,31 5.36,32 3.36,33 5.373,35 2.87,36 7.146,37 4.238,38 2.046,40 1.456,41 4.476,42 4.476,43 1,44 0.892,45 8.88,46 9.283,47 4.104,48 1.702,49 4.176,50 2.423,51 2.423,52 10.635,54 123.191,55 12.399,56 0.76,57 7.928,58 4.3,59 5.356,60 3,61 0.948,62 1.995,63 8,64 1.177,66 5.471,67 -1.338,68 1.693,69 4.602}
{0 CHEMBL477312,1 1,2 1,3 3.192,4 7.224,5 7.224,6 3.846,7 1,8 1,9 12.052,10 12.052,11 12.052,12 6.112,13 11.268,14 4.304,15 4.304,16 2.658,17 18.92,18 15.475,20 1,21 4.099,22 4.099,23 1,24 42.683,25 1,27 6.099,28 0.225,29 3.352,30 3.352,31 5.352,32 3.352,33 5.365,35 2.578,36 7.138,37 4.243,38 2.056,40 1.438,41 4.484,42 4.484,43 1,44 0.966,45 8.878,46 9.236,47 4.104,48 1.628,49 4.004,50 2.423,51 2.423,52 10.635,53 1.682,54 75.81,55 12.399,56 0.894,57 7.928,58 3,59 5.428,60 2,61 0.448,62 1.993,63 3,64 1.398,66 5.438,67 -0.991,68 1.653,69 7.046}
{0 CHEMBL482659,1 1,2 1,3 3.632,4 6.705,5 6.705,6 5.344,7 1,8 1,9 10.894,10 10.894,11 10.894,12 6.111,13 11.032,14 4.121,15 4.121,16 2.642,17 18.135,18 15.621,20 2,21 4.594,22 4.594,23 1,24 42.683,25 1,27 6.594,28 0.294,29 3.154,30 3.154,31 5.154,32 3.154,33 5.269,35 3.592,36 9.455,37 4.238,38 2.107,40 0.62,41 4.497,42 4.497,44 1.07,45 11.581,46 9.046,47 5.9,48 1.617,49 4.222,50 2.95,51 2.95,52 13.722,54 75.81,55 15.87,56 0.77,57 7.928,59 5.445,60 3,61 1.128,62 1.955,63 10,64 1.047,66 7.358,67 -0.976,68 1.611,69 6.432}
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{0 CHEMBL482993,1 1,2 1,3 3.272,4 6.71,5 6.71,6 3.859,7 1,8 1,9 10.903,10 10.903,11 10.903,12 6.111,13 11.312,14 4.119,15 4.119,16 2.634,17 18.135,18 17.604,20 1,21 3.787,22 3.787,23 1,24 42.683,25 1,27 5.787,28 0.336,29 3.162,30 3.162,31 5.162,32 3.162,33 5.229,35 2.617,36 7.139,37 4.238,38 2.019,40 1.035,41 4.605,42 4.605,43 1,44 1.196,45 8.878,46 9.273,47 4.104,48 1.473,49 3.909,50 2.423,51 2.423,52 10.635,53 1.995,54 83.459,55 12.399,56 0.63,57 7.928,58 1.9,59 5.488,60 3,61 0.782,62 1.849,63 6,64 1.097,65 -0.869,66 5.441,67 -0.967,68 1.522,69 5.567}
{0 CHEMBL484266,1 1,2 1,3 3.64,4 7.67,5 7.67,6 2.518,7 1,8 1,9 13.639,10 13.639,11 13.639,13 50.697,14 4.447,15 4.447,16 4.724,17 21.682,18 17.94,20 2,21 4.727,22 4.727,23 1,24 60.694,26 1,27 6.727,28 0.304,29 3.522,30 3.522,31 5.522,32 3.522,33 5.512,34 3,35 2.108,36 3.702,38 2.095,40 1.401,41 4.938,42 4.938,44 1.007,45 4.375,46 9.381,47 2.873,48 1.418,49 4.21,50 1.437,51 1.437,52 5.073,54 110.046,55 5.783,56 0.471,58 3.9,59 5.882,60 1,61 1.153,62 1.933,63 7,64 1.149,66 3.071,67 -1.792,68 1.384,69 6.7}
{0 CHEMBL484330,1 1,2 1,3 3.272,4 6.71,5 6.71,6 3.859,7 1,8 1,9 10.903,10 10.903,11 10.903,12 6.111,13 11.311,14 4.121,15 4.121,16 2.635,17 18.135,18 17.599,20 1,21 3.787,22 3.787,23 1,24 42.683,25 1,27 5.787,28 0.336,29 3.162,30 3.162,31 5.162,32 3.162,33 5.234,35 2.617,36 7.139,37 4.238,38 2.027,40 1.017,41 4.605,42 4.605,43 1,44 1.161,45 8.878,46 9.272,47 4.104,48 1.457,49 3.909,50 2.423,51 2.423,52 10.635,53 1.995,54 83.459,55 12.399,56 0.638,57 7.928,58 1.9,59 5.488,60 2,61 0.536,62 1.85,63 6,64 1.097,65 -0.871,66 5.441,67 -0.968,68 1.507,69 6.863}
{0 CHEMBL484465,1 1,2 1,3 3.649,4 7.67,5 7.67,6 2.518,7 1,8 1,9 13.639,10 13.639,11 13.639,13 50.84,14 4.447,15 4.447,16 4.721,17 21.682,18 18.229,20 2,21 4.727,22 4.727,23 1,24 60.694,26 1,27 6.727,28 0.32,29 3.522,30 3.522,31 5.522,32 3.522,33 5.512,34 3,35 2.108,36 3.702,38 2.095,40 1.356,41 4.938,42 4.938,44 1.026,45 4.375,46 9.402,47 2.873,48 1.492,49 4.21,50 1.437,51 1.437,52 5.073,54 110.046,55 5.783,56 0.613,58 3.7,59 5.882,60 1,61 1.096,62 1.975,63 7,64 1.18,66 3.071,67 -1.742,68 1.503,69 5}
{0 CHEMBL484466,1 1,2 1,3 3.64,4 7.67,5 7.67,6 2.518,7 1,8 2,9 13.64,10 13.64,11 13.64,13 50.679,14 4.448,15 4.448,16 4.83,17 21.688,18 14.563,19 2,20 2,21 4.727,22 4.727,23 2,24 103.377,26 1,27 6.727,28 0.341,29 3.523,30 3.523,31 5.523,32 3.523,33 5.514,34 5,35 2.108,36 3.702,38 2.078,40 1.383,41 4.938,42 4.938,44 1.037,45 4.375,46 19.339,47 2.873,48 1.42,49 4.352,50 1.437,51 1.437,52 5.073,54 100.57,55 5.783,56 0.465,58 3.8,59 5.884,60 1,61 1.174,62 1.942,63 8,64 1.152,66 3.071,67 -1.925,68 1.386,69 5.7}
{0 CHEMBL484467,1 1,2 1,3 3.638,4 7.67,5 7.67,6 2.518,7 1,8 1,9 13.639,10 13.639,11 13.639,13 50.697,14 4.447,15 4.447,16 4.727,17 21.682,18 17.887,20 2,21 4.727,22 4.727,23 1,24 60.694,26 1,27 6.727,28 0.304,29 3.522,30 3.522,31 5.522,32 3.522,33 5.512,34 3,35 2.108,36 3.702,38 2.095,40 1.387,41 4.938,42 4.938,44 0.991,45 4.375,46 9.353,47 2.873,48 1.407,49 4.21,50 1.437,51 1.437,52 5.073,54 110.046,55 5.783,56 0.471,58 3.9,59 5.882,60 2,61 1.166,62 1.934,63 7,64 1.149,66 3.071,67 -1.791,68 1.391,69 6.8}
{0 CHEMBL484606,1 1,2 1,3 3.272,4 6.71,5 6.71,6 3.859,7 1,8 1,9 10.904,10 10.904,11 10.904,12 6.111,13 11.587,14 4.12,15 4.12,16 2.605,17 18.136,18 17.691,20 1,21 3.79,22 3.79,23 1,24 42.683,25 1,27 5.79,28 0.314,29 3.162,30 3.162,31 5.162,32 3.162,33 5.23,35 2.617,36 7.139,37 4.238,38 2.021,40 1.101,41 4.605,42 4.605,43 1,44 1.075,45 8.878,46 9.5,47 4.104,48 1.576,49 3.915,50 2.423,51 2.423,52 10.635,53 2.016,54 83.459,55 12.399,56 0.733,57 7.928,58 1.7,59 5.495,60 4,61 0.732,62 1.906,63 6,64 1.124,65 -0.851,66 5.441,67 -0.939,68 1.581,69 7.347}
{0 CHEMBL484725,1 1,2 1,3 3.263,4 6.704,5 6.704,6 3.859,7 1,8 1,9 10.888,10 10.888,11 10.888,12 6.111,13 11.529,14 4.138,15 4.138,16 2.626,17 18.122,18 21.492,20 2,21 3.789,22 3.789,23 1,24 42.683,25 1,27 5.789,28 0.321,29 3.15,30 3.15,31 5.15,32 3.15,33 5.211,35 2.617,36 7.139,37 4.238,38 2.156,40 1.046,41 4.591,42 4.591,43 1,44 1.107,45 8.878,46 9.45,47 4.104,48 1.608,49 3.915,50 2.423,51 2.423,52 10.635,53 1.905,54 104.239,55 12.399,56 0.738,57 7.928,58 1.7,59 5.475,60 3,61 0.823,62 1.852,63 6,64 1.157,65 -0.876,66 5.441,67 -0.959,68 1.612,69 6.772}
{0 CHEMBL484962,1 1,2 1,3 3.272,4 6.71,5 6.71,6 3.859,7 1,8 1,9 10.904,10 10.904,11 10.904,12 6.111,13 11.471,14 4.12,15 4.12,16 2.616,17 18.136,18 17.652,20 1,21 3.789,22 3.789,23 1,24 42.683,25 1,27 5.789,28 0.325,29 3.162,30 3.162,31 5.162,32 3.162,33 5.23,35 2.617,36 7.139,37 4.238,38 2.02,40 1.079,41 4.605,42 4.605,43 1,44 1.166,45 8.878,46 9.404,47 4.104,48 1.57,49 3.914,50 2.423,51 2.423,52 10.635,53 2.007,54 83.459,55 12.399,56 0.733,57 7.928,58 1.8,59 5.489,60 3,61 0.748,62 1.852,63 6,64 1.111,65 -0.856,66 5.441,67 -0.949,68 1.576,69 6.932}
{0 CHEMBL485087,1 1,2 1,3 3.638,4 7.67,5 7.67,6 2.518,7 1,8 1,9 13.639,10 13.639,11 13.639,13 50.74,14 4.447,15 4.447,16 4.718,17 21.682,18 18.198,20 2,21 4.727,22 4.727,23 1,24 60.694,26 1,27 6.727,28 0.32,29 3.522,30 3.522,31 5.522,32 3.522,33 5.511,34 3,35 2.108,36 3.702,38 2.095,40 1.344,41 4.938,42 4.938,44 0.979,45 4.375,46 9.402,47 2.873,48 1.469,49 4.21,50 1.437,51 1.437,52 5.073,54 110.046,55 5.783,56 0.628,58 3.7,59 5.882,60 1,61 1.328,62 1.977,63 7,64 1.18,66 3.071,67 -1.747,68 1.481,69 6.7}
{0 CHEMBL485088,1 1,2 1,3 3.64,4 7.67,5 7.67,6 2.518,7 1,8 1,9 13.639,10 13.639,11 13.639,13 50.619,14 4.447,15 4.447,16 4.736,17 21.682,18 17.473,20 2,21 4.727,22 4.727,23 1,24 60.694,26 1,27 6.727,28 0.316,29 3.522,30 3.522,31 5.522,32 3.522,33 5.512,34 3,35 2.108,36 3.702,38 2.095,40 1.384,41 4.938,42 4.938,44 1.01,45 4.375,46 9.344,47 2.873,48 1.42,49 4.21,50 1.437,51 1.437,52 5.073,54 110.046,55 5.783,56 0.47,58 3.9,59 5.882,60 1,61 1.136,62 1.942,63 7,64 1.168,66 3.071,67 -1.875,68 1.386,69 6.9}
{0 CHEMBL485155,1 1,2 1,3 3.596,4 6.681,5 6.681,6 3.914,7 1,8 1,9 10.721,10 10.721,11 10.721,12 5.889,13 22.551,14 4.106,15 4.106,16 2.409,17 17.485,19 1,21 3.817,22 3.817,23 1,24 42.683,25 1,26 1,27 5.744,28 0.209,29 3.146,30 3.146,31 5.126,32 3.146,33 5.168,34 1,35 2.847,36 6.888,37 4.112,38 2.05,40 0.851,41 4.333,42 4.333,43 1,44 0.991,45 8.539,46 8.6,47 3.925,48 1.533,49 3.324,50 2.341,51 2.341,52 10.22,54 9.476,55 11.913,56 0.764,57 7.625,59 5.302,61 0.802,62 1.893,64 1.288,65 -0.087,66 5.313,67 0.477,68 1.559,69 6.301}
{0 CHEMBL485179,1 1,2 1,3 3.596,4 6.716,5 6.716,6 3.903,7 1,8 1,9 10.902,10 10.902,11 10.902,12 5.889,13 23.231,14 4.157,15 4.157,16 2.417,17 17.798,19 1,21 3.825,22 3.825,23 1,24 42.683,25 1,26 1,27 5.752,28 0.174,29 3.166,30 3.166,31 5.147,32 3.166,33 5.218,34 2,35 2.835,36 6.884,37 4.112,38 2.05,40 0.861,41 4.408,42 4.408,43 1,44 1.037,45 8.537,46 8.737,47 3.925,48 1.676,49 3.55,50 2.341,51 2.341,52 10.219,54 9.476,55 11.913,56 0.982,57 7.625,59 5.376,61 0.949,62 1.99,64 1.366,65 -0.318,66 5.306,67 0.26,68 1.688,69 5.699}
{0 CHEMBL486176,3 3.303,4 6.747,5 6.747,6 2.277,8 1,9 10.942,10 10.942,11 10.942,13 12.527,14 4.189,15 4.189,16 1.824,17 18.379,18 9.723,20 1,21 3.667,22 3.667,23 1,24 42.683,27 5.667,28 0.414,29 3.192,30 3.192,31 5.192,32 3.192,33 5.276,34 1,35 1.934,36 3.392,38 2.03,40 1.126,41 4.542,42 4.542,43 2,44 1.132,45 4.023,46 9.421,47 2.783,48 0.989,49 3.961,50 1.392,51 1.392,52 4.67,54 56.857,55 5.325,56 0.155,59 5.413,61 0.998,62 1.485,63 6,64 0.971,66 2.796,67 0.279,68 1.021,69 4.651}
{0 CHEMBL486892,1 1,2 1,3 4.472,4 7.247,5 7.247,6 6.074,7 1,8 1,9 12.232,10 12.232,11 12.232,12 9.425,13 11.017,14 4.247,15 4.247,16 5.767,17 19.717,18 14.306,20 2,21 4.594,22 4.594,23 1,24 42.683,25 1,27 6.594,28 0.265,29 3.375,30 3.375,31 5.375,32 3.375,33 5.396,35 4.028,36 10.98,37 6.771,38 2.107,40 0.698,41 4.535,42 4.535,44 0.86,45 13.565,46 9.026,47 6.775,48 1.617,49 4.262,50 3.825,51 3.825,52 16.188,54 85.286,55 18.836,56 0.77,57 12.09,59 5.483,60 3,61 1.001,62 1.956,63 9,64 0.9,66 8.461,67 -1.026,68 1.611,69 5.959}
{0 CHEMBL487611,3 3.274,4 6.897,5 6.897,6 2.323,8 2,9 11.568,10 11.568,11 11.568,14 4.25,15 4.25,16 1.553,17 19.126,18 10.619,20 2,21 3.592,22 3.592,23 2,24 85.367,27 5.592,28 0.417,29 3.282,30 3.282,31 5.282,32 3.282,33 5.361,34 2,35 2.225,36 2.674,38 2.01,40 0.932,41 4.4,42 4.4,43 2,44 0.747,45 2.901,46 19.61,47 2.302,48 1.49,49 4.089,50 1.151,51 1.151,52 3.146,54 56.857,55 3.404,56 0.572,59 5.4,61 1.531,62 1.775,63 6,64 1.187,65 0.236,66 2.477,68 1.511,69 4.305}
{0 CHEMBL491237,1 1,2 1,3 3.261,4 6.698,5 6.698,6 2.697,7 1,8 1,9 10.861,10 10.861,11 10.861,12 0.188,13 11.096,14 4.127,15 4.127,16 2.608,17 18.063,18 27.099,19 1,21 3.576,22 3.576,23 1,24 42.683,26 1,27 5.576,28 0.295,29 3.139,30 3.139,31 5.139,32 3.139,33 5.23,34 2,35 2.392,36 3.79,37 0.268,38 2.15,40 0.911,41 4.581,42 4.581,43 1,44 0.917,45 4.438,46 9.102,47 2.873,48 1.487,49 4.149,50 1.437,51 1.437,52 5.117,53 2.162,54 132.667,55 5.813,56 0.717,57 0.125,58 3.3,59 5.581,61 0.506,62 2.022,63 6,64 1.157,66 3.195,67 -0.941,68 1.459,69 4.469}
{0 CHEMBL491820,1 1,2 1,3 3.256,4 6.886,5 6.886,6 2.44,7 1,8 2,9 11.414,10 11.414,11 11.414,13 11.728,14 4.225,15 4.225,16 2.79,17 18.96,18 11.586,20 5,21 3.683,22 3.683,23 2,24 85.367,26 1,27 5.683,28 0.338,29 3.242,30 3.242,31 5.242,32 3.242,33 5.225,34 2,35 2.135,36 3.64,38 2.087,40 0.722,41 4.601,42 4.601,44 1.009,45 4.337,46 20.165,47 2.873,48 1.411,49 3.88,50 1.437,51 1.437,52 5.05,54 66.334,55 5.77,56 0.564,59 5.436,60 2,61 1.528,62 1.896,63 6,64 1.081,66 2.985,67 -0.034,68 1.4,69 4.569}
{0 CHEMBL492324,1 1,2 1,3 3.587,4 7.224,5 7.224,6 3.859,7 1,8 1,9 12.055,10 12.055,11 12.055,12 6.111,13 24.204,14 4.307,15 4.307,16 2.676,17 18.987,18 24.66,20 1,21 4.099,22 4.099,23 1,24 42.683,25 1,27 6.099,28 0.279,29 3.354,30 3.354,31 5.354,32 3.354,33 5.382,35 2.617,36 7.139,37 4.238,38 2.075,40 1.52,41 4.559,42 4.559,44 1.14,45 8.878,46 9.299,47 4.104,48 1.73,49 4.394,50 2.423,51 2.423,52 10.635,53 2.041,54 122.762,55 12.399,56 0.955,57 7.928,58 1.4,59 5.467,60 2,61 0.986,62 1.991,63 5,64 1.193,66 5.441,67 -0.992,68 1.764,69 5.278}
{0 CHEMBL492519,1 1,2 1,3 3.551,4 7.224,5 7.224,6 3.966,7 1,8 1,9 12.055,10 12.055,11 12.055,12 6.111,13 23.111,14 4.307,15 4.307,16 2.672,17 19.286,18 19.605,20 1,21 4.099,22 4.099,23 1,24 42.683,25 1,27 6.099,28 0.316,29 3.354,30 3.354,31 5.354,32 3.354,33 5.383,35 2.83,36 7.15,37 4.238,38 2.164,40 1.261,41 4.596,42 4.596,44 1.142,45 8.882,46 9.299,47 4.104,48 1.691,49 4.415,50 2.423,51 2.423,52 10.636,53 4.265,54 94.334,55 12.399,56 0.804,57 7.928,58 1.4,59 5.503,60 2,61 0.748,62 1.903,63 4,64 1.214,66 5.478,67 -0.936,68 1.706,69 5}
{0 CHEMBL492534,1 1,2 1,3 3.588,4 7.224,5 7.224,6 3.859,7 1,8 1,9 12.055,10 12.055,11 12.055,12 6.111,13 24.191,14 4.307,15 4.307,16 2.689,17 18.987,18 20.574,20 1,21 4.099,22 4.099,23 1,24 42.683,25 1,27 6.099,28 0.302,29 3.354,30 3.354,31 5.354,32 3.354,33 5.382,35 2.617,36 7.139,37 4.238,38 2.07,40 1.287,41 4.559,42 4.559,44 1.039,45 8.878,46 9.296,47 4.104,48 1.73,49 4.399,50 2.423,51 2.423,52 10.635,53 1.997,54 113.286,55 12.399,56 0.95,57 7.928,58 1.4,59 5.467,60 2,61 0.98,62 1.969,63 6,64 1.1,66 5.441,67 -1.167,68 1.763,69 5}
{0 CHEMBL492535,1 1,2 1,3 3.588,4 7.224,5 7.224,6 3.882,7 1,8 1,9 12.055,10 12.055,11 12.055,12 6.111,13 24.378,14 4.307,15 4.307,16 2.68,17 18.987,18 22.41,20 1,21 4.099,22 4.099,23 1,24 42.683,25 1,27 6.099,28 0.293,29 3.354,30 3.354,31 5.354,32 3.354,33 5.382,35 2.719,36 7.139,37 4.238,38 2.071,40 1.504,41 4.559,42 4.559,44 1.161,45 8.878,46 9.311,47 4.104,48 1.733,49 4.4,50 2.423,51 2.423,52 10.635,53 2.028,54 113.286,55 12.399,56 0.955,57 7.928,58 1.4,59 5.467,60 2,61 1.217,62 1.974,63 6,64 1.242,66 5.444,67 -1.04,68 1.765,69 5.352}
{0 CHEMBL494142,1 1,2 1,3 3.587,4 7.232,5 7.232,6 3.859,7 1,8 1,9 12.114,10 12.114,11 12.114,12 6.111,13 24.344,14 4.323,15 4.323,16 2.68,17 19.45,18 24.601,19 1,20 1,21 4.101,22 4.101,23 1,24 42.683,25 1,27 6.101,28 0.279,29 3.371,30 3.371,31 5.371,32 3.371,33 5.399,34 1,35 2.617,36 7.139,37 4.238,38 2.075,40 1.53,41 4.629,42 4.629,43 1,44 1.04,45 8.878,46 9.404,47 4.104,48 1.73,49 4.394,50 2.423,51 2.423,52 10.635,53 1.857,54 122.762,55 12.399,56 0.955,57 7.928,58 1.4,59 5.537,60 2,61 0.983,62 1.991,63 5,64 1.193,66 5.441,67 -1,68 1.764,69 5}
{0 CHEMBL495506,1 1,2 1,3 3.662,4 7.67,5 7.67,6 2.518,7 1,8 1,9 13.639,10 13.639,11 13.639,13 50.849,14 4.447,15 4.447,16 4.719,17 21.682,18 18.318,20 2,21 4.727,22 4.727,23 1,24 60.694,26 1,27 6.727,28 0.32,29 3.522,30 3.522,31 5.522,32 3.522,33 5.511,34 3,35 2.108,36 3.702,38 2.095,40 1.307,41 4.938,42 4.938,44 0.974,45 4.375,46 9.459,47 2.873,48 1.43,49 4.211,50 1.437,51 1.437,52 5.073,54 110.046,55 5.783,56 0.614,58 3.7,59 5.882,60 1,61 1.147,62 1.976,63 7,64 1.18,66 3.071,67 -1.737,68 1.47,69 5}
{0 CHEMBL495817,1 1,2 1,3 4.46,4 7.111,5 7.111,6 6.06,7 1,8 1,9 11.657,10 11.657,11 11.657,12 9.425,13 10.845,14 4.17,15 4.17,16 5.649,17 18.885,18 13.829,20 1,21 4.593,22 4.593,23 1,24 42.683,25 1,27 6.593,28 0.283,29 3.313,30 3.313,31 5.313,32 3.313,33 5.316,35 4.008,36 10.979,37 6.771,38 2.026,40 0.796,41 4.453,42 4.453,44 0.785,45 13.564,46 8.884,47 6.775,48 1.526,49 4.257,50 3.825,51 3.825,52 16.188,54 85.286,55 18.836,56 0.645,57 12.09,59 5.344,60 3,61 0.819,62 1.955,63 9,64 0.977,66 8.458,67 -1.043,68 1.532,69 5.721}
{0 CHEMBL495818,1 1,2 1,3 4.46,4 7.111,5 7.111,6 6.06,7 1,8 1,9 11.657,10 11.657,11 11.657,12 9.425,13 10.825,14 4.17,15 4.17,16 5.65,17 18.885,18 13.734,20 1,21 4.593,22 4.593,23 1,24 42.683,25 1,27 6.593,28 0.291,29 3.313,30 3.313,31 5.313,32 3.313,33 5.316,35 4.008,36 10.979,37 6.771,38 2.025,40 0.793,41 4.453,42 4.453,44 0.762,45 13.564,46 8.867,47 6.775,48 1.496,49 4.257,50 3.825,51 3.825,52 16.188,54 85.286,55 18.836,56 0.643,57 12.09,59 5.319,60 3,61 0.823,62 1.951,63 9,64 0.964,66 8.458,67 -1.046,68 1.475,69 5.77}
{0 CHEMBL495904,1 1,2 1,3 3.638,4 7.738,5 7.738,6 2.487,7 1,8 1,9 14.003,10 14.003,11 14.003,13 50.873,14 4.505,15 4.505,16 4.869,17 22.45,18 18.938,20 2,21 4.722,22 4.722,23 1,24 60.694,26 1,27 6.722,28 0.353,29 3.574,30 3.574,31 5.574,32 3.574,33 5.584,34 3,35 1.997,36 3.7,38 2.051,40 1.22,41 5.028,42 5.028,44 0.911,45 4.375,46 9.403,47 2.873,48 1.452,49 4.378,50 1.437,51 1.437,52 5.073,53 1.371,54 119.094,55 5.783,56 0.575,58 3.8,59 5.876,60 1,61 1.09,62 1.979,63 6,64 1.148,66 3.063,67 -1.781,68 1.441,69 8.222}
{0 CHEMBL495905,1 1,2 1,3 3.638,4 7.738,5 7.738,6 2.487,7 1,8 1,9 14.003,10 14.003,11 14.003,13 50.833,14 4.504,15 4.504,16 4.89,17 22.45,18 18.649,20 2,21 4.722,22 4.722,23 1,24 60.694,26 1,27 6.722,28 0.335,29 3.574,30 3.574,31 5.574,32 3.574,33 5.582,34 2,35 1.997,36 3.7,38 2.039,40 1.283,41 5.028,42 5.028,44 0.945,45 4.375,46 9.399,47 2.873,48 1.45,49 4.378,50 1.437,51 1.437,52 5.073,53 1.241,54 119.094,55 5.783,56 0.46,58 4.1,59 5.876,60 1,61 1.115,62 1.961,63 6,64 1.118,66 3.063,67 -1.792,68 1.409,69 7.9}
{0 CHEMBL495990,1 1,2 1,3 4.46,4 7.111,5 7.111,6 6.074,7 1,8 1,9 11.657,10 11.657,11 11.657,12 9.425,13 10.97,14 4.17,15 4.17,16 5.652,17 18.898,18 13.844,20 2,21 4.594,22 4.594,23 1,24 42.683,25 1,27 6.594,28 0.28,29 3.313,30 3.313,31 5.313,32 3.313,33 5.317,35 4.028,36 10.98,37 6.771,38 2.107,40 0.759,41 4.497,42 4.497,44 0.722,45 13.565,46 8.988,47 6.775,48 1.617,49 4.263,50 3.825,51 3.825,52 16.188,54 85.286,55 18.836,56 0.692,57 12.09,59 5.445,60 3,61 0.942,62 1.953,63 9,64 0.873,66 8.461,67 -1.022,68 1.611,69 7.284}
{0 CHEMBL496116,1 1,2 1,3 3.638,4 7.737,5 7.737,6 2.574,7 1,8 1,9 13.992,10 13.992,11 13.992,13 51.003,14 4.501,15 4.501,16 4.933,17 22.417,18 18.417,20 2,21 4.722,22 4.722,23 1,24 60.694,26 1,27 6.722,28 0.345,29 3.571,30 3.571,31 5.571,32 3.571,33 5.58,34 2,35 2.18,36 3.715,38 2.039,40 1.261,41 5.025,42 5.025,44 1.107,45 4.381,46 9.412,47 2.873,48 1.53,49 4.373,50 1.437,51 1.437,52 5.075,53 1.156,54 119.094,55 5.783,56 0.586,58 3.8,59 5.873,60 1,61 1.369,62 1.974,63 6,64 1.195,66 3.1,67 -1.808,68 1.536,69 7.25}
{0 CHEMBL496136,1 2,2 2,3 3.64,4 7.67,5 7.67,6 3.041,7 2,8 2,9 13.641,10 13.641,11 13.641,13 62.366,14 4.449,15 4.449,16 4.916,17 21.691,18 14.135,20 2,21 4.727,22 4.727,23 2,24 103.377,26 2,27 6.727,28 0.354,29 3.524,30 3.524,31 5.524,32 3.524,33 5.516,34 5,35 2.514,36 4.341,38 2.088,40 1.268,41 4.938,42 4.938,44 1.025,45 5.039,46 18.744,47 2.873,48 1.445,49 4.38,50 1.437,51 1.437,52 5.75,54 100.57,55 6.467,56 0.472,58 3.7,59 5.885,60 1,61 0.945,62 1.942,63 8,64 1.147,66 3.667,67 -3.041,68 1.41,69 5.9}
{0 CHEMBL496534,1 1,2 1,3 3.638,4 7.749,5 7.749,6 2.487,7 1,8 1,9 14.072,10 14.072,11 14.072,13 50.819,14 4.512,15 4.512,16 4.959,17 22.535,18 18.236,20 2,21 4.723,22 4.723,23 1,24 60.694,26 1,27 6.723,28 0.348,29 3.583,30 3.583,31 5.583,32 3.583,33 5.591,34 4,35 1.997,36 3.7,38 2.038,40 1.295,41 5.035,42 5.035,44 0.967,45 4.375,46 9.395,47 2.873,48 1.45,49 4.377,50 1.437,51 1.437,52 5.073,53 1.005,54 119.094,55 5.783,56 0.452,58 4.1,59 5.883,60 1,61 1.116,62 1.971,63 6,64 1.136,66 3.063,67 -1.819,68 1.404,69 6.8}
{0 CHEMBL496593,1 1,2 1,3 3.632,4 6.705,5 6.705,6 5.344,7 1,8 1,9 10.894,10 10.894,11 10.894,12 6.111,13 10.982,14 4.121,15 4.121,16 2.628,17 18.135,18 10.228,20 2,21 4.594,22 4.594,23 1,24 42.683,25 1,27 6.594,28 0.273,29 3.154,30 3.154,31 5.154,32 3.154,33 5.269,35 3.592,36 9.455,37 4.238,38 2.107,40 0.566,41 4.497,42 4.497,44 1.062,45 11.581,46 9.008,47 5.9,48 1.613,49 3.818,50 2.95,51 2.95,52 13.722,54 47.381,55 15.87,56 0.825,57 7.928,59 5.451,60 3,61 1.214,62 1.877,63 7,64 1.101,65 0.739,66 7.358,67 -0.961,68 1.608,69 5.824}
{0 CHEMBL496726,1 1,2 1,3 3.64,4 7.67,5 7.67,6 2.518,7 1,8 1,9 13.64,10 13.64,11 13.64,13 50.758,14 4.447,15 4.447,16 4.792,17 21.683,18 15.102,20 2,21 4.727,22 4.727,23 1,24 60.694,26 1,27 6.727,28 0.333,29 3.522,30 3.522,31 5.522,32 3.522,33 5.514,34 3,35 2.108,36 3.702,38 2.075,40 1.379,41 4.938,42 4.938,44 1.02,45 4.375,46 9.352,47 2.873,48 1.42,49 4.267,50 1.437,51 1.437,52 5.073,54 100.57,55 5.783,56 0.464,58 3.9,59 5.882,60 1,61 1.121,62 1.942,63 8,64 1.168,66 3.071,67 -1.901,68 1.385,69 6.1}
{0 CHEMBL496733,1 1,2 1,3 3.638,4 7.737,5 7.737,6 2.487,7 1,8 1,9 13.992,10 13.992,11 13.992,13 50.76,14 4.5,15 4.5,16 4.928,17 22.416,18 18.166,20 2,21 4.722,22 4.722,23 1,24 60.694,26 1,27 6.722,28 0.348,29 3.571,30 3.571,31 5.571,32 3.571,33 5.579,34 2,35 1.997,36 3.7,38 2.039,40 1.271,41 5.025,42 5.025,44 0.964,45 4.375,46 9.393,47 2.873,48 1.45,49 4.371,50 1.437,51 1.437,52 5.073,53 1.116,54 119.094,55 5.783,56 0.438,58 4.1,59 5.873,60 1,61 1.127,62 1.969,63 6,64 1.136,66 3.063,67 -1.813,68 1.401,69 6.7}
{0 CHEMBL496743,1 1,2 1,3 3.638,4 7.739,5 7.739,6 2.574,7 1,8 1,9 14.007,10 14.007,11 14.007,13 51.209,14 4.509,15 4.509,16 4.93,17 22.465,18 16.765,20 2,21 4.722,22 4.722,23 1,24 60.694,26 1,27 6.722,28 0.366,29 3.577,30 3.577,31 5.577,32 3.577,33 5.588,34 3,35 2.18,36 3.715,38 2.04,40 1.233,41 5.03,42 5.03,43 2,44 0.906,45 4.381,46 9.428,47 2.873,48 1.525,49 4.379,50 1.437,51 1.437,52 5.075,53 1.219,54 109.617,55 5.783,56 0.583,58 3.6,59 5.878,60 1,61 1.137,62 1.978,63 7,64 1.205,66 3.1,67 -1.803,68 1.538,69 7.8}
{0 CHEMBL496744,1 1,2 1,3 3.64,4 7.739,5 7.739,6 2.574,7 1,8 1,9 14.006,10 14.006,11 14.006,13 50.882,14 4.506,15 4.506,16 4.95,17 22.456,18 17.616,20 2,21 4.722,22 4.722,23 1,24 60.694,26 1,27 6.722,28 0.341,29 3.575,30 3.575,31 5.575,32 3.575,33 5.584,34 2,35 2.18,36 3.715,38 2.014,40 1.326,41 5.028,42 5.028,44 1.032,45 4.381,46 9.353,47 2.873,48 1.457,49 4.378,50 1.437,51 1.437,52 5.075,53 1.054,54 119.094,55 5.783,56 0.464,58 4,59 5.876,60 1,61 1.264,62 1.942,63 6,64 1.185,66 3.1,67 -1.935,68 1.435,69 8.211}
{0 CHEMBL496807,1 1,2 1,3 4.46,4 7.111,5 7.111,6 6.055,7 1,8 1,9 11.657,10 11.657,11 11.657,12 9.425,13 10.897,14 4.17,15 4.17,16 5.634,17 18.896,18 13.854,20 2,21 4.597,22 4.597,23 1,24 42.683,25 1,27 6.597,28 0.299,29 3.313,30 3.313,31 5.313,32 3.313,33 5.311,35 3.953,36 10.979,37 6.771,38 2.107,40 0.772,41 4.496,42 4.496,44 0.729,45 13.564,46 8.931,47 6.775,48 1.485,49 4.236,50 3.825,51 3.825,52 16.188,54 85.286,55 18.836,56 0.692,57 12.09,59 5.444,60 3,61 1.086,62 1.943,63 9,64 0.844,66 8.457,67 -1.012,68 1.43,69 7.745}
{0 CHEMBL496933,1 1,2 1,3 3.64,4 7.671,5 7.671,6 2.518,7 1,8 1,9 13.643,10 13.643,11 13.643,13 51.049,14 4.451,15 4.451,16 4.808,17 21.693,18 13.43,20 2,21 4.727,22 4.727,23 1,24 60.694,26 1,27 6.727,28 0.353,29 3.525,30 3.525,31 5.525,32 3.525,33 5.518,34 3,35 2.108,36 3.702,38 2.087,40 1.362,41 4.939,42 4.939,44 0.913,45 4.375,46 9.372,47 2.873,48 1.431,49 4.38,50 1.437,51 1.437,52 5.073,54 91.094,55 5.783,56 0.564,58 3.7,59 5.884,60 1,61 1.112,62 1.942,63 9,64 1.178,66 3.071,67 -1.9,68 1.421,69 6.5}
{0 CHEMBL497203,1 1,2 1,3 3.632,4 6.705,5 6.705,6 5.35,7 1,8 1,9 10.894,10 10.894,11 10.894,12 6.111,13 11.01,14 4.121,15 4.121,16 2.633,17 18.135,18 10.197,20 2,21 4.594,22 4.594,23 1,24 42.683,25 1,27 6.594,28 0.26,29 3.154,30 3.154,31 5.154,32 3.154,33 5.269,35 3.631,36 9.455,37 4.238,38 2.107,40 0.535,41 4.497,42 4.497,44 1.085,45 11.581,46 9.031,47 5.9,48 1.617,49 3.818,50 2.95,51 2.95,52 13.722,54 47.381,55 15.87,56 0.825,57 7.928,59 5.497,60 3,61 1.221,62 1.95,63 7,64 1.156,65 0.237,66 7.359,67 -0.966,68 1.611,69 5.461}
{0 CHEMBL497204,1 1,2 1,3 3.632,4 6.705,5 6.705,6 5.344,7 1,8 1,9 10.894,10 10.894,11 10.894,12 6.111,13 11.001,14 4.121,15 4.121,16 2.627,17 18.135,18 10.279,20 2,21 4.594,22 4.594,23 1,24 42.683,25 1,27 6.594,28 0.265,29 3.154,30 3.154,31 5.154,32 3.154,33 5.269,35 3.592,36 9.455,37 4.238,38 2.107,40 0.55,41 4.497,42 4.497,44 1.071,45 11.581,46 9.024,47 5.9,48 1.742,49 3.818,50 2.95,51 2.95,52 13.722,54 47.381,55 15.87,56 0.947,57 7.928,59 5.446,60 3,61 1.244,62 1.878,63 7,64 1.113,65 0.372,66 7.358,67 -0.96,68 1.733,69 6.435}
{0 CHEMBL497789,1 1,2 1,3 3.64,4 7.736,5 7.736,6 2.574,7 1,8 1,9 13.99,10 13.99,11 13.99,13 50.796,14 4.5,15 4.5,16 4.93,17 22.412,18 17.604,20 2,21 4.722,22 4.722,23 1,24 60.694,26 1,27 6.722,28 0.341,29 3.57,30 3.57,31 5.57,32 3.57,33 5.579,34 3,35 2.18,36 3.715,38 2.014,40 1.324,41 5.024,42 5.024,43 2,44 0.987,45 4.381,46 9.35,47 2.873,48 1.458,49 4.373,50 1.437,51 1.437,52 5.075,53 1.133,54 119.094,55 5.783,56 0.446,58 4,59 5.872,60 1,61 0.959,62 1.942,63 6,64 1.185,66 3.1,67 -1.931,68 1.431,69 6.8}
{0 CHEMBL497991,1 1,2 1,3 3.64,4 7.737,5 7.737,6 2.574,7 1,8 1,9 13.992,10 13.992,11 13.992,13 50.882,14 4.501,15 4.501,16 4.95,17 22.417,18 17.674,20 2,21 4.722,22 4.722,23 1,24 60.694,26 1,27 6.722,28 0.341,29 3.571,30 3.571,31 5.571,32 3.571,33 5.58,34 2,35 2.18,36 3.715,38 2.014,40 1.324,41 5.025,42 5.025,44 1.15,45 4.381,46 9.353,47 2.873,48 1.453,49 4.373,50 1.437,51 1.437,52 5.075,53 1.133,54 119.094,55 5.783,56 0.428,58 4,59 5.873,60 1,61 1.19,62 1.942,63 6,64 1.185,66 3.1,67 -1.935,68 1.42,69 7.45}
{0 CHEMBL498171,1 1,2 1,3 3.638,4 7.736,5 7.736,6 2.487,7 1,8 1,9 13.989,10 13.989,11 13.989,13 50.81,14 4.5,15 4.5,16 4.865,17 22.412,18 18.963,20 2,21 4.722,22 4.722,23 1,24 60.694,26 1,27 6.722,28 0.353,29 3.57,30 3.57,31 5.57,32 3.57,33 5.578,34 3,35 1.997,36 3.7,38 2.05,40 1.218,41 5.024,42 5.024,44 1.035,45 4.375,46 9.4,47 2.873,48 1.46,49 4.372,50 1.437,51 1.437,52 5.073,53 1.333,54 119.094,55 5.783,56 0.626,58 3.8,59 5.872,60 1,61 1.437,62 1.979,63 6,64 1.148,66 3.063,67 -1.781,68 1.493,69 7.5}
{0 CHEMBL498172,1 1,2 1,3 3.638,4 7.736,5 7.736,6 2.487,7 1,8 1,9 13.989,10 13.989,11 13.989,13 50.721,14 4.5,15 4.5,16 4.908,17 22.412,18 18.099,20 2,21 4.722,22 4.722,23 1,24 60.694,26 1,27 6.722,28 0.348,29 3.57,30 3.57,31 5.57,32 3.57,33 5.578,34 3,35 1.997,36 3.7,38 2.039,40 1.271,41 5.024,42 5.024,44 0.976,45 4.375,46 9.392,47 2.873,48 1.45,49 4.372,50 1.437,51 1.437,52 5.073,53 1.116,54 119.094,55 5.783,56 0.449,58 4.1,59 5.872,60 1,61 1.085,62 1.968,63 6,64 1.136,66 3.063,67 -1.808,68 1.406,69 7.5}
{0 CHEMBL498401,1 2,2 2,3 3.64,4 7.67,5 7.67,6 4.056,7 2,8 2,9 13.64,10 13.64,11 13.64,12 6.111,13 61.992,14 4.448,15 4.448,16 4.909,17 21.689,18 14.486,20 3,21 4.727,22 4.727,23 2,24 103.377,25 1,26 1,27 6.727,28 0.337,29 3.523,30 3.523,31 5.523,32 3.523,33 5.52,34 3,35 2.967,36 7.169,37 4.238,38 2.079,40 1.167,41 4.938,42 4.938,43 2,44 0.985,45 8.889,46 18.255,47 4.104,48 1.488,49 4.371,50 2.423,51 2.423,52 10.639,54 100.57,55 12.4,56 0.679,57 7.928,58 3.4,59 5.885,60 4,61 1.304,62 1.942,63 8,64 1.205,66 5.523,67 -3.084,68 1.505,69 5}
{0 CHEMBL498608,1 1,2 1,3 3.64,4 7.67,5 7.67,6 2.518,7 1,8 1,9 13.64,10 13.64,11 13.64,13 50.595,14 4.447,15 4.447,16 4.871,17 21.683,18 13.773,20 2,21 4.727,22 4.727,23 1,24 60.694,26 1,27 6.727,28 0.342,29 3.522,30 3.522,31 5.522,32 3.522,33 5.513,34 3,35 2.108,36 3.702,38 2.08,40 1.252,41 4.938,42 4.938,44 1.001,45 4.375,46 9.337,47 2.873,48 1.42,49 4.267,50 1.437,51 1.437,52 5.073,54 100.57,55 5.783,56 0.461,58 3.9,59 5.882,60 1,61 1.017,62 1.942,63 8,64 1.054,66 3.071,67 -1.95,68 1.385,69 6}
{0 CHEMBL499038,1 1,2 1,3 4.461,4 7.116,5 7.116,6 6.074,7 1,8 1,9 11.689,10 11.689,11 11.689,12 9.425,13 11.016,14 4.179,15 4.179,16 5.696,17 18.931,18 14.138,20 2,21 4.594,22 4.594,23 1,24 42.683,25 1,27 6.594,28 0.265,29 3.319,30 3.319,31 5.319,32 3.319,33 5.327,35 4.028,36 10.98,37 6.771,38 2.107,40 0.811,41 4.497,42 4.497,44 0.802,45 13.565,46 9.026,47 6.775,48 1.617,49 4.263,50 3.825,51 3.825,52 16.188,54 85.286,55 18.836,56 0.77,57 12.09,59 5.445,60 3,61 0.714,62 1.955,63 9,64 0.9,66 8.461,67 -1.02,68 1.611,69 6.377}
{0 CHEMBL499312,1 1,2 1,3 4.46,4 7.111,5 7.111,6 6.074,7 2,8 1,9 11.657,10 11.657,11 11.657,12 9.425,13 11.02,14 4.17,15 4.17,16 5.663,17 18.898,18 13.852,20 2,21 4.594,22 4.594,23 2,24 85.367,25 1,27 6.594,28 0.261,29 3.313,30 3.313,31 5.313,32 3.313,33 5.318,34 3,35 4.028,36 10.98,37 6.771,38 2.107,40 0.746,41 4.497,42 4.497,44 0.738,45 13.565,46 17.986,47 6.775,48 1.617,49 4.263,50 3.825,51 3.825,52 16.188,54 127.97,55 18.836,56 0.77,57 12.09,59 5.445,60 3,61 0.872,62 1.954,63 9,64 0.897,66 8.461,67 -1.028,68 1.611,69 5.699}
{0 CHEMBL501155,1 1,2 1,3 3.588,4 7.224,5 7.224,6 3.859,7 1,8 1,9 12.055,10 12.055,11 12.055,12 6.111,13 24.703,14 4.307,15 4.307,16 2.678,17 18.987,18 33.289,20 1,21 4.099,22 4.099,23 1,24 42.683,25 1,27 6.099,28 0.287,29 3.354,30 3.354,31 5.354,32 3.354,33 5.383,35 2.617,36 7.139,37 4.238,38 2.102,40 1.496,41 4.559,42 4.559,44 1.093,45 8.878,46 9.34,47 4.104,48 1.806,49 4.408,50 2.423,51 2.423,52 10.635,53 2.034,54 160.667,55 12.399,56 1.008,57 7.928,58 1.3,59 5.467,60 2,61 1.263,62 2.021,63 7,64 1.127,66 5.441,67 -1.009,68 1.82,69 5}
{0 CHEMBL50143,3 3.785,4 6.516,5 6.516,6 6.722,9 10.23,10 10.23,11 10.23,12 9.91,13 23.618,14 4.053,15 4.053,16 1.965,17 17.058,18 21.487,19 1,20 1,21 4.875,22 4.875,24 18.011,27 6.875,28 0.279,29 3.095,30 3.095,31 5.095,32 3.095,33 5.162,34 1,35 4.03,36 12.677,37 6.639,38 2.056,39 1,40 0.707,41 4.362,42 4.362,43 1,44 1.036,45 15.686,47 8.891,48 1.715,49 4.082,50 4.628,51 4.628,52 18.702,54 104.239,55 21.724,56 0.946,57 13.141,58 1.4,59 5.29,61 0.897,62 1.985,63 7,64 1.143,65 -0.493,66 9.679,67 -0.557,68 1.746,69 5.523}
{0 CHEMBL501439,1 1,2 1,3 4.46,4 7.111,5 7.111,6 6.074,7 1,8 1,9 11.657,10 11.657,11 11.657,12 9.425,13 10.996,14 4.17,15 4.17,16 5.648,17 18.898,18 14.019,20 2,21 4.594,22 4.594,23 1,24 42.683,25 1,27 6.594,28 0.272,29 3.313,30 3.313,31 5.313,32 3.313,33 5.318,35 4.028,36 10.98,37 6.771,38 2.107,40 0.781,41 4.497,42 4.497,44 0.734,45 13.565,46 9.011,47 6.775,48 1.617,49 4.263,50 3.825,51 3.825,52 16.188,54 85.286,55 18.836,56 0.759,57 12.09,59 5.445,60 3,61 0.904,62 1.954,63 9,64 0.887,66 8.461,67 -1.016,68 1.611,69 7.367}
{0 CHEMBL501440,1 1,2 1,3 4.46,4 7.111,5 7.111,6 6.074,7 1,8 1,9 11.657,10 11.657,11 11.657,12 9.425,13 11.015,14 4.17,15 4.17,16 5.649,17 18.898,18 14.065,20 2,21 4.594,22 4.594,23 1,24 42.683,25 1,27 6.594,28 0.265,29 3.313,30 3.313,31 5.313,32 3.313,33 5.318,35 4.028,36 10.98,37 6.771,38 2.107,40 0.801,41 4.497,42 4.497,44 0.744,45 13.565,46 9.026,47 6.775,48 1.617,49 4.263,50 3.825,51 3.825,52 16.188,54 85.286,55 18.836,56 0.77,57 12.09,59 5.445,60 3,61 0.906,62 1.954,63 9,64 0.9,66 8.461,67 -1.015,68 1.611,69 7.357}
{0 CHEMBL501979,1 1,2 1,3 4.46,4 7.111,5 7.111,6 6.063,7 1,8 1,9 11.657,10 11.657,11 11.657,12 9.425,13 10.886,14 4.17,15 4.17,16 5.657,17 18.885,18 20.885,20 1,21 4.593,22 4.593,23 1,24 42.683,25 1,27 6.593,28 0.293,29 3.313,30 3.313,31 5.313,32 3.313,33 5.317,35 4.003,36 10.979,37 6.771,38 2.027,40 0.807,41 4.453,42 4.453,44 0.736,45 13.564,46 8.917,47 6.775,48 1.503,49 4.259,50 3.825,51 3.825,52 16.188,54 104.239,55 18.836,56 0.645,57 12.09,58 1.5,59 5.309,60 3,61 0.809,62 1.975,63 10,64 0.919,66 8.458,67 -1.047,68 1.474,69 5.387}
{0 CHEMBL501980,1 1,2 1,3 4.46,4 7.111,5 7.111,6 6.06,7 1,8 1,9 11.657,10 11.657,11 11.657,12 9.425,13 10.874,14 4.17,15 4.17,16 5.649,17 18.885,18 13.91,20 1,21 4.593,22 4.593,23 1,24 42.683,25 1,27 6.593,28 0.302,29 3.313,30 3.313,31 5.313,32 3.313,33 5.322,35 4.008,36 10.979,37 6.771,38 2.025,40 0.788,41 4.453,42 4.453,44 0.776,45 13.564,46 8.908,47 6.775,48 1.673,49 4.258,50 3.825,51 3.825,52 16.188,54 85.286,55 18.836,56 0.713,57 12.09,59 5.407,60 3,61 0.786,62 1.953,63 9,64 0.951,65 0.018,66 8.458,67 -1.041,68 1.652,69 5.149}
{0 CHEMBL501982,1 1,2 1,3 4.46,4 7.111,5 7.111,6 6.074,7 1,8 1,9 11.657,10 11.657,11 11.657,12 9.425,13 11.012,14 4.168,15 4.168,16 5.711,17 18.898,18 12.247,20 2,21 4.594,22 4.594,23 1,24 42.683,25 1,27 6.594,28 0.267,29 3.313,30 3.313,31 5.313,32 3.313,33 5.316,35 4.028,36 10.98,37 6.771,38 2.107,40 0.781,41 4.497,42 4.497,43 1,44 0.736,45 13.565,46 9.023,47 6.775,48 1.617,49 4.263,50 3.825,51 3.825,52 16.188,54 66.334,55 18.836,56 0.77,57 12.09,58 1.5,59 5.445,60 3,61 0.903,62 1.904,63 9,64 0.942,66 8.461,67 -1.019,68 1.611,69 5.921}
{0 CHEMBL502518,1 1,2 1,3 4.46,4 7.111,5 7.111,6 6.063,7 1,8 1,9 11.657,10 11.657,11 11.657,12 9.425,13 10.886,14 4.17,15 4.17,16 5.657,17 18.885,18 20.912,20 1,21 4.593,22 4.593,23 1,24 42.683,25 1,27 6.593,28 0.293,29 3.313,30 3.313,31 5.313,32 3.313,33 5.317,35 4.003,36 10.979,37 6.771,38 2.027,40 0.812,41 4.453,42 4.453,44 0.749,45 13.564,46 8.917,47 6.775,48 1.505,49 4.259,50 3.825,51 3.825,52 16.188,54 104.239,55 18.836,56 0.646,57 12.09,58 1.5,59 5.309,60 3,61 0.819,62 1.974,63 10,64 0.919,66 8.458,67 -1.048,68 1.476,69 5.538}
{0 CHEMBL502521,1 1,2 1,3 4.46,4 7.111,5 7.111,6 6.081,7 2,8 1,9 11.657,10 11.657,11 11.657,12 9.425,13 11.019,14 4.17,15 4.17,16 5.667,17 18.898,18 13.78,20 3,21 4.594,22 4.594,23 2,24 85.367,25 1,27 6.594,28 0.287,29 3.313,30 3.313,31 5.313,32 3.313,33 5.318,34 1,35 4.072,36 10.98,37 6.771,38 2.107,40 0.752,41 4.497,42 4.497,44 0.753,45 13.565,46 18.459,47 6.775,48 1.617,49 4.264,50 3.825,51 3.825,52 16.188,54 127.97,55 18.836,56 0.77,57 12.09,59 5.445,60 3,61 0.909,62 1.954,63 9,64 0.897,65 -0.788,66 8.462,67 -1.032,68 1.611,69 5.921}
{0 CHEMBL50259,3 3.783,4 6.491,5 6.491,6 6.722,9 10.118,10 10.118,11 10.118,12 9.91,13 23.016,14 4.011,15 4.011,16 1.978,17 16.858,18 24.33,19 1,21 4.875,22 4.875,24 18.011,27 6.875,28 0.268,29 3.061,30 3.061,31 5.061,32 3.061,33 5.119,34 1,35 4.03,36 12.677,37 6.639,38 2.018,39 1,40 0.728,41 4.283,42 4.283,43 1,44 0.844,45 15.686,47 8.891,48 1.368,49 3.899,50 4.628,51 4.628,52 18.702,54 123.191,55 21.724,56 0.444,57 13.141,58 1.9,59 5.204,61 0.584,62 1.949,63 5,64 1.068,65 -0.487,66 9.679,67 -0.589,68 1.371,69 4.301}
{0 CHEMBL503066,1 1,2 1,3 4.46,4 7.111,5 7.111,6 6.067,7 1,8 1,9 11.657,10 11.657,11 11.657,12 9.425,13 11.02,14 4.17,15 4.17,16 5.621,17 18.898,18 14.6,20 3,21 4.594,22 4.594,23 1,24 60.694,25 1,27 6.594,28 0.264,29 3.313,30 3.313,31 5.313,32 3.313,33 5.317,34 4,35 3.995,36 10.98,37 6.771,38 2.108,40 0.766,41 4.497,42 4.497,44 0.803,45 13.565,46 9.031,47 6.775,48 1.619,49 4.263,50 3.825,51 3.825,52 16.188,54 85.286,55 18.836,56 0.772,57 12.09,58 1.4,59 5.445,60 3,61 0.902,62 1.955,63 9,64 0.914,66 8.46,67 -1.01,68 1.613,69 5.509}
{0 CHEMBL503072,1 1,2 1,3 4.46,4 7.111,5 7.111,6 6.092,7 1,8 1,9 11.657,10 11.657,11 11.657,12 9.425,13 11.026,14 4.17,15 4.17,16 5.657,17 18.898,18 13.952,20 2,21 4.594,22 4.594,23 1,24 42.683,25 1,27 6.594,28 0.261,29 3.313,30 3.313,31 5.313,32 3.313,33 5.318,35 4.097,36 10.98,37 6.771,38 2.107,40 0.772,41 4.497,42 4.497,44 0.715,45 13.565,46 9.034,47 6.775,48 1.617,49 4.263,50 3.825,51 3.825,52 16.188,54 85.286,55 18.836,56 0.77,57 12.09,59 5.445,60 3,61 0.924,62 1.953,63 9,64 0.928,66 8.464,67 -1.022,68 1.611,69 6.469}
{0 CHEMBL50572,3 3.783,4 6.491,5 6.491,6 6.722,9 10.118,10 10.118,11 10.118,12 9.91,13 23.172,14 4.011,15 4.011,16 1.977,17 16.858,18 22.967,19 1,21 4.875,22 4.875,24 18.011,27 6.875,28 0.296,29 3.061,30 3.061,31 5.061,32 3.061,33 5.119,34 1,35 4.03,36 12.677,37 6.639,38 2.061,39 1,40 0.646,41 4.287,42 4.287,43 1,44 0.939,45 15.686,47 8.891,48 1.626,49 3.923,50 4.628,51 4.628,52 18.702,54 113.715,55 21.724,56 0.657,57 13.141,58 1.6,59 5.213,61 0.445,62 1.991,63 6,64 1.121,65 -0.003,66 9.679,67 -0.586,68 1.566,69 6.796}
{0 CHEMBL505868,1 1,2 1,3 4.444,4 7.111,5 7.111,6 6.253,7 1,8 1,9 11.657,10 11.657,11 11.657,12 9.425,13 10.55,14 4.17,15 4.17,16 5.738,17 18.533,18 8.609,21 4.46,22 4.46,23 1,24 42.683,25 1,27 6.46,28 0.294,29 3.313,30 3.313,31 5.313,32 3.313,33 5.296,35 4.121,36 11.218,37 6.771,38 1.995,40 1.051,41 4.439,42 4.439,44 1.03,45 13.788,46 8.633,47 7.112,48 1.402,49 4.107,50 3.825,51 3.825,52 16.383,54 66.334,55 18.999,56 0.485,57 12.09,59 5.355,60 3,61 1.318,62 1.745,63 5,64 0.866,66 8.689,67 -3.342,68 1.343,69 7.157}
{0 CHEMBL506419,1 1,2 1,3 4.46,4 7.111,5 7.111,6 6.081,7 2,8 1,9 11.657,10 11.657,11 11.657,12 9.425,13 11.037,14 4.17,15 4.17,16 5.669,17 18.898,18 13.787,20 3,21 4.594,22 4.594,23 2,24 85.367,25 1,27 6.594,28 0.254,29 3.313,30 3.313,31 5.313,32 3.313,33 5.319,34 1,35 4.072,36 10.98,37 6.771,38 2.107,40 0.718,41 4.497,42 4.497,44 0.762,45 13.565,46 18.938,47 6.775,48 1.617,49 4.316,50 3.825,51 3.825,52 16.188,54 127.97,55 18.836,56 0.77,57 12.09,59 5.445,60 3,61 0.911,62 1.955,63 9,64 0.91,66 8.462,67 -1.033,68 1.611,69 5.854}
{0 CHEMBL506730,1 1,2 1,3 3.587,4 7.224,5 7.224,6 3.882,7 1,8 1,9 12.055,10 12.055,11 12.055,12 6.111,13 24.533,14 4.307,15 4.307,16 2.678,17 19.307,18 26.773,20 1,21 4.099,22 4.099,23 1,24 42.683,25 1,27 6.099,28 0.314,29 3.354,30 3.354,31 5.354,32 3.354,33 5.384,35 2.719,36 7.139,37 4.238,38 2.166,40 1.463,41 4.603,42 4.603,44 1.117,45 8.878,46 9.349,47 4.104,48 1.786,49 4.415,50 2.423,51 2.423,52 10.635,53 4.164,54 132.239,55 12.399,56 1.019,57 7.928,58 1.3,59 5.51,60 2,61 0.967,62 1.993,63 6,64 1.179,66 5.444,67 -1.032,68 1.82,69 5}
{0 CHEMBL50680,3 3.783,4 6.491,5 6.491,6 6.722,9 10.118,10 10.118,11 10.118,12 9.91,13 23.239,14 4.011,15 4.011,16 1.973,17 16.858,18 21.926,19 1,21 4.875,22 4.875,24 18.011,27 6.875,28 0.291,29 3.061,30 3.061,31 5.061,32 3.061,33 5.12,34 1,35 4.03,36 12.677,37 6.639,38 2.058,39 1,40 0.657,41 4.283,42 4.283,43 1,44 0.874,45 15.686,47 8.891,48 1.725,49 4.138,50 4.628,51 4.628,52 18.702,54 104.239,55 21.724,56 0.969,57 13.141,58 1.4,59 5.209,61 0.577,62 2.003,63 7,64 1.121,65 0.215,66 9.679,67 -0.579,68 1.755,69 4.301}
{0 CHEMBL507477,1 1,2 1,3 3.686,4 7.134,5 7.134,6 3.863,7 1,8 1,9 12.393,10 12.393,11 12.393,12 6.111,13 24.526,14 4.363,15 4.363,16 2.858,17 20.067,18 16.451,20 1,21 3.778,22 3.778,23 1,24 42.683,25 1,27 5.778,28 0.406,29 3.387,30 3.387,31 5.387,32 3.387,33 5.419,35 2.656,36 7.139,37 4.238,38 2.019,40 1.122,41 4.797,42 4.797,43 1,44 1.01,45 8.878,46 9.073,47 4.104,48 1.525,49 4.175,50 2.423,51 2.423,52 10.635,53 1.321,54 85.286,55 12.399,56 0.585,57 7.928,58 3.5,59 5.629,60 2,61 1.064,62 1.923,63 7,64 1.11,65 -1.2,66 5.441,67 -1.335,68 1.537,69 4.301}
{0 CHEMBL50755,3 3.785,4 6.516,5 6.516,6 6.723,9 10.226,10 10.226,11 10.226,12 9.91,13 23.42,14 4.046,15 4.046,16 2.009,17 17.054,18 20.881,19 1,21 4.875,22 4.875,24 18.011,27 6.875,28 0.29,29 3.094,30 3.094,31 5.094,32 3.094,33 5.155,34 1,35 4.056,36 12.677,37 6.639,38 2.048,39 1,40 0.721,41 4.361,42 4.361,43 3,44 0.967,45 15.686,47 8.891,48 1.636,49 4.08,50 4.628,51 4.628,52 18.702,54 104.239,55 21.724,56 0.664,57 13.141,58 1.5,59 5.288,61 0.79,62 1.982,63 7,64 1.164,65 -0.573,66 9.679,67 -0.662,68 1.586,69 5.262}
{0 CHEMBL508163,1 1,2 1,3 3.588,4 7.231,5 7.231,6 3.869,7 1,8 1,9 12.112,10 12.112,11 12.112,12 6.112,13 24.969,14 4.321,15 4.321,16 2.655,17 19.45,18 29.588,19 1,20 2,21 4.101,22 4.101,23 1,24 42.683,25 1,27 6.101,28 0.28,29 3.37,30 3.37,31 5.37,32 3.37,33 5.398,34 1,35 2.684,36 7.139,37 4.243,38 2.103,40 1.446,41 4.51,42 4.51,43 1,44 0.966,45 8.878,46 9.523,47 4.104,48 1.773,49 4.33,50 2.423,51 2.423,52 10.635,54 142.144,55 12.399,56 1.008,57 7.928,58 1.2,59 5.47,60 2,61 1.364,62 2.041,63 9,64 1.16,66 5.442,67 -0.982,68 1.8,69 5}
{0 CHEMBL508733,1 1,2 1,3 4.46,4 7.111,5 7.111,6 6.074,7 1,8 1,9 11.657,10 11.657,11 11.657,12 9.425,13 11.074,14 4.17,15 4.17,16 5.663,17 18.898,18 20.986,20 2,21 4.594,22 4.594,23 1,24 42.683,25 1,27 6.594,28 0.265,29 3.313,30 3.313,31 5.313,32 3.313,33 5.319,35 4.028,36 10.98,37 6.771,38 2.107,40 0.798,41 4.497,42 4.497,44 0.72,45 13.565,46 9.072,47 6.775,48 1.617,49 4.265,50 3.825,51 3.825,52 16.188,54 104.239,55 18.836,56 0.77,57 12.09,58 1.4,59 5.445,60 3,61 0.935,62 1.961,63 10,64 0.89,66 8.461,67 -1.024,68 1.611,69 6.167}
{0 CHEMBL50885,3 3.783,4 6.491,5 6.491,6 6.723,9 10.118,10 10.118,11 10.118,12 9.91,13 23.172,14 4.011,15 4.011,16 1.98,17 16.858,18 20.625,19 1,21 4.875,22 4.875,24 18.011,27 6.875,28 0.29,29 3.061,30 3.061,31 5.061,32 3.061,33 5.12,34 1,35 4.056,36 12.677,37 6.639,38 2.046,39 1,40 0.73,41 4.283,42 4.283,43 1,44 0.904,45 15.686,47 8.891,48 1.626,49 4.037,50 4.628,51 4.628,52 18.702,54 104.239,55 21.724,56 0.657,57 13.141,58 1.5,59 5.208,61 0.512,62 1.963,63 7,64 1.164,65 -0.495,66 9.679,67 -0.592,68 1.566,69 4.301}
{0 CHEMBL509369,1 1,2 1,3 3.509,4 7.015,5 7.015,6 3.863,7 1,8 1,9 11.972,10 11.972,11 11.972,12 6.111,13 11.076,14 4.283,15 4.283,16 2.767,17 19.203,18 16.551,21 3.775,22 3.775,23 1,24 42.683,25 1,27 5.775,28 0.39,29 3.335,30 3.335,31 5.335,32 3.335,33 5.372,35 2.656,36 7.139,37 4.238,38 2.013,40 1.253,41 4.752,42 4.752,43 1,44 1.203,45 8.878,46 9.064,47 4.104,48 1.365,49 4.014,50 2.423,51 2.423,52 10.635,53 1.422,54 85.286,55 12.399,56 0.602,57 7.928,58 3.8,59 5.582,60 2,61 1.119,62 1.918,63 7,64 1.096,65 -1.052,66 5.441,67 -1.101,68 1.399,69 4.301}
{0 CHEMBL509680,1 1,2 1,3 3.602,4 7.228,5 7.228,6 3.895,7 1,8 1,9 12.079,10 12.079,11 12.079,12 6.111,13 24.316,14 4.316,15 4.316,16 2.703,17 19.08,18 15.553,20 3,21 4.1,22 4.1,23 1,24 60.694,25 1,27 6.1,28 0.296,29 3.36,30 3.36,31 5.36,32 3.36,33 5.377,34 1,35 2.708,36 7.141,37 4.238,38 2.092,40 1.314,41 4.502,42 4.502,44 1.008,45 8.879,46 9.283,47 4.104,48 1.651,49 4.411,50 2.423,51 2.423,52 10.635,54 75.81,55 12.399,56 0.785,57 7.928,58 4.3,59 5.385,60 3,61 0.92,62 1.87,63 7,64 1.262,66 5.451,67 -1.243,68 1.655,69 5.569}
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{0 CHEMBL510180,1 1,2 1,3 3.687,4 7.137,5 7.137,6 3.863,7 1,8 1,9 12.41,10 12.41,11 12.41,12 6.111,13 24.659,14 4.369,15 4.369,16 2.695,17 20.084,18 18.195,20 1,21 3.774,22 3.774,23 1,24 42.683,25 1,27 5.774,28 0.401,29 3.394,30 3.394,31 5.394,32 3.394,33 5.425,35 2.656,36 7.139,37 4.238,38 2.039,40 1.148,41 4.804,42 4.804,43 1,44 1.12,45 8.878,46 9.13,47 4.104,48 1.541,49 4.094,50 2.423,51 2.423,52 10.635,53 1.51,54 94.762,55 12.399,56 0.702,57 7.928,58 3.3,59 5.634,60 2,61 1.289,62 1.951,63 7,64 1.233,65 -0.956,66 5.441,67 -1.11,68 1.551,69 4.301}
{0 CHEMBL511100,1 1,2 1,3 4.46,4 7.111,5 7.111,6 6.076,7 1,8 1,9 11.657,10 11.657,11 11.657,12 9.425,13 11.042,14 4.17,15 4.17,16 5.657,17 18.898,18 14.009,20 2,21 4.594,22 4.594,23 1,24 42.683,25 1,27 6.594,28 0.254,29 3.313,30 3.313,31 5.313,32 3.313,33 5.318,35 4.054,36 10.98,37 6.771,38 2.107,40 0.771,41 4.497,42 4.497,44 0.78,45 13.565,46 9.047,47 6.775,48 1.617,49 4.263,50 3.825,51 3.825,52 16.188,54 85.286,55 18.836,56 0.77,57 12.09,59 5.445,60 3,61 0.909,62 1.954,63 9,64 0.941,66 8.461,67 -1.021,68 1.611,69 6.328}
{0 CHEMBL511989,1 1,2 1,3 3.596,4 6.471,5 6.471,6 3.839,7 1,8 1,9 10.005,10 10.005,11 10.005,12 5.889,13 22.291,14 4.02,15 4.02,16 2.409,17 16.502,19 1,21 3.735,22 3.735,23 1,24 42.683,25 1,26 1,27 5.662,28 0.194,29 3.025,30 3.025,31 5.004,32 3.025,33 5.08,34 2,35 2.739,36 6.87,37 4.112,38 2.05,40 0.877,41 4.183,42 4.183,43 1,44 0.956,45 8.532,46 8.565,47 3.925,48 1.561,49 3.131,50 2.341,51 2.341,52 10.218,54 18.952,55 11.912,56 0.751,57 7.625,59 5.152,61 0.793,62 1.894,64 1.417,65 -0.071,66 5.272,67 -0.542,68 1.585,69 5.699}
{0 CHEMBL512652,1 1,2 1,3 4.437,4 6.455,5 6.455,6 6.333,7 1,8 1,9 10.195,10 10.195,11 10.195,12 9.783,13 10.562,14 3.899,15 3.899,16 5.979,17 16.45,18 10.553,21 4.439,22 4.439,23 1,24 42.683,25 1,27 6.439,28 0.262,29 3.139,30 3.139,31 5.139,32 3.139,33 5.025,35 4.097,36 11.497,37 7.016,38 1.994,40 0.501,41 4.244,42 4.244,44 0.51,45 14.179,46 8.655,47 7.319,48 1.405,49 3.941,50 4.032,51 4.032,52 16.893,54 66.334,55 19.629,56 0.482,57 12.558,59 5.161,60 3,61 0.401,62 1.82,63 5,64 0.932,66 8.866,67 -0.254,68 1.387,69 7.547}
{0 CHEMBL512715,1 1,2 1,3 4.439,4 7.24,5 7.24,6 6.233,7 1,8 1,9 12.18,10 12.18,11 12.18,12 9.425,13 10.564,14 4.242,15 4.242,16 5.804,17 19.591,18 8.71,21 4.475,22 4.475,23 1,24 42.683,25 1,27 6.475,28 0.291,29 3.377,30 3.377,31 5.377,32 3.377,33 5.367,35 4.044,36 11.217,37 6.771,38 1.993,40 0.732,41 4.546,42 4.546,44 0.734,45 13.788,46 8.654,47 7.112,48 1.403,49 3.828,50 3.825,51 3.825,52 16.383,54 56.857,55 18.999,56 0.482,57 12.09,59 5.463,60 3,61 0.532,62 1.817,63 6,64 0.891,66 8.685,67 -0.371,68 1.346,69 6.301}
{0 CHEMBL512867,1 1,2 1,3 4.44,4 7.111,5 7.111,6 6.235,7 1,8 1,9 11.657,10 11.657,11 11.657,12 9.425,13 10.6,14 4.17,15 4.17,16 5.631,17 18.533,18 9.555,21 4.46,22 4.46,23 1,24 42.683,25 1,27 6.46,28 0.262,29 3.313,30 3.313,31 5.313,32 3.313,33 5.295,35 4.069,36 11.217,37 6.771,38 1.992,40 0.847,41 4.439,42 4.439,44 0.704,45 13.788,46 8.679,47 7.112,48 1.439,49 3.843,50 3.825,51 3.825,52 16.383,54 66.334,55 18.999,56 0.498,57 12.09,59 5.355,60 2,61 1.104,62 1.82,63 5,64 0.932,66 8.686,67 -0.352,68 1.349,69 6}
{0 CHEMBL513035,1 1,2 1,3 3.575,4 7.228,5 7.228,6 3.905,7 1,8 1,9 12.079,10 12.079,11 12.079,12 6.112,13 24.093,14 4.312,15 4.312,16 2.703,17 19.08,18 15.615,20 3,21 4.1,22 4.1,23 1,24 60.694,25 1,27 6.1,28 0.323,29 3.36,30 3.36,31 5.36,32 3.36,33 5.372,35 2.77,36 7.141,37 4.243,38 2.045,40 1.392,41 4.478,42 4.478,43 1,44 0.871,45 8.879,46 9.27,47 4.104,48 1.732,49 4.177,50 2.423,51 2.423,52 10.635,54 75.81,55 12.399,56 0.788,57 7.928,58 6,59 5.369,60 3,61 0.997,62 1.866,63 7,64 1.331,66 5.452,67 -1.295,68 1.719,69 5.975}
{0 CHEMBL513594,1 1,2 1,3 3.575,4 7.228,5 7.228,6 3.895,7 1,8 1,9 12.079,10 12.079,11 12.079,12 6.111,13 24.117,14 4.312,15 4.312,16 2.708,17 19.08,18 25.507,20 3,21 4.1,22 4.1,23 1,24 60.694,25 1,27 6.1,28 0.317,29 3.36,30 3.36,31 5.36,32 3.36,33 5.372,34 1,35 2.708,36 7.141,37 4.238,38 2.094,40 1.434,41 4.481,42 4.481,44 0.857,45 8.879,46 9.275,47 4.104,48 1.676,49 4.218,50 2.423,51 2.423,52 10.635,54 123.191,55 12.399,56 0.751,57 7.928,58 4.6,59 5.36,60 3,61 0.973,62 1.916,63 8,64 1.123,66 5.451,67 -1.317,68 1.677,69 5.81}
{0 CHEMBL513749,1 1,2 1,3 4.457,4 7.111,5 7.111,6 6.604,7 1,8 1,9 11.657,10 11.657,11 11.657,12 9.425,13 10.562,14 4.17,15 4.17,16 5.574,17 18.533,18 10.594,21 4.482,22 4.482,23 1,24 42.683,25 1,27 6.482,28 0.259,29 3.313,30 3.313,31 5.313,32 3.313,33 5.313,35 4.328,36 11.532,37 6.771,38 1.993,40 0.784,41 4.439,42 4.439,44 0.645,45 14.056,46 8.657,47 7.175,48 1.401,49 3.843,50 3.825,51 3.825,52 16.608,54 66.334,55 19.183,56 0.527,57 12.09,59 5.355,60 3,61 0.873,62 1.812,63 5,64 0.831,66 9.04,67 -0.071,68 1.327,69 7.265}
{0 CHEMBL513882,1 1,2 1,3 3.629,4 6.072,5 6.072,6 5.65,7 1,8 1,9 8.775,10 8.775,11 8.775,12 6.111,13 10.552,14 3.832,15 3.832,16 2.658,17 15.03,18 12.866,21 4.439,22 4.439,23 1,24 42.683,25 1,27 6.439,28 0.283,29 2.875,30 2.875,31 4.875,32 2.875,33 4.955,35 3.616,36 10.258,37 4.238,38 1.994,40 0.608,41 4.244,42 4.244,44 0.874,45 12.617,46 8.655,47 6.574,48 1.21,49 3.694,50 3.287,51 3.287,52 14.986,54 66.334,55 17.36,56 0.481,57 7.928,59 5.159,60 3,61 0.435,62 1.818,63 5,64 1.052,66 7.923,67 -0.029,68 1.234,69 7.184}
{0 CHEMBL514256,1 1,2 1,3 3.731,4 7.679,5 7.679,6 3.728,7 1,8 1,9 14.234,10 14.234,11 14.234,12 5.889,13 24.573,14 4.563,15 4.563,16 2.606,17 21.767,18 11.151,20 5,21 3.735,22 3.735,23 1,24 60.694,25 1,26 1,27 5.735,28 0.333,29 3.563,30 3.563,31 5.563,32 3.563,33 5.593,34 3,35 2.626,36 6.853,37 4.112,38 2.25,40 0.992,41 4.632,42 4.632,44 1.24,45 8.527,46 9.429,47 3.925,48 1.606,49 4.128,50 2.341,51 2.341,52 10.216,54 56.857,55 11.912,56 0.947,57 7.625,58 1.3,59 5.632,60 2,61 1.559,62 1.981,63 6,64 1.088,65 1.952,66 5.223,67 -1.128,68 1.599,69 7.222}
{0 CHEMBL514264,1 1,2 1,3 3.731,4 7.681,5 7.681,6 3.728,7 1,8 1,9 14.245,10 14.245,11 14.245,12 5.889,13 24.55,14 4.567,15 4.567,16 2.648,17 21.864,18 7.917,20 5,21 3.748,22 3.748,23 1,24 60.694,25 1,26 1,27 5.748,28 0.355,29 3.567,30 3.567,31 5.567,32 3.567,33 5.598,34 3,35 2.626,36 6.853,37 4.112,38 2.248,40 0.875,41 4.65,42 4.65,44 1.351,45 8.527,46 9.42,47 3.925,48 1.606,49 4.273,50 2.341,51 2.341,52 10.216,54 47.381,55 11.912,56 0.947,57 7.625,58 1.3,59 5.65,60 2,61 1.753,62 1.955,63 7,64 1.035,65 1.52,66 5.223,67 -1.528,68 1.599,69 7.602}
{0 CHEMBL515667,1 1,2 1,3 3.578,4 7.228,5 7.228,6 3.898,7 1,8 1,9 12.079,10 12.079,11 12.079,12 6.111,13 24.599,14 4.317,15 4.317,16 2.709,17 19.08,18 25.725,20 5,21 4.1,22 4.1,23 1,24 60.694,25 1,27 6.1,28 0.284,29 3.36,30 3.36,31 5.36,32 3.36,33 5.378,34 2,35 2.743,36 7.141,37 4.238,38 2.097,40 1.248,41 4.519,42 4.519,44 1.02,45 8.879,46 9.342,47 4.104,48 1.748,49 4.404,50 2.423,51 2.423,52 10.635,54 123.191,55 12.399,56 0.788,57 7.928,58 3.9,59 5.4,60 3,61 1.101,62 2.039,63 8,64 1.167,66 5.451,67 -1.316,68 1.718,69 4.602}
{0 CHEMBL51603,3 4.46,4 7.111,5 7.111,6 6.962,9 11.657,10 11.657,11 11.657,12 10.376,13 23.151,14 4.17,15 4.17,16 5.641,17 18.536,18 17.009,19 1,21 4.875,22 4.875,24 18.011,27 6.875,28 0.282,29 3.314,30 3.314,31 5.314,32 3.314,33 5.279,34 1,35 4.332,36 12.811,37 7.357,38 2.047,39 1,40 0.856,41 4.44,42 4.44,43 1,44 0.677,45 15.784,47 8.891,48 1.626,49 4.276,50 4.628,51 4.628,52 18.774,54 104.239,55 21.776,56 0.657,57 13.437,58 1.6,59 5.366,61 0.468,62 1.975,63 7,64 0.943,65 -0.533,66 9.86,67 -0.656,68 1.566,69 4.301}
{0 CHEMBL516463,1 1,2 1,3 3.63,4 7.111,5 7.111,6 5.638,7 1,8 1,9 11.657,10 11.657,11 11.657,12 9.425,13 10.532,14 4.17,15 4.17,16 5.637,17 18.533,18 9.327,21 4.46,22 4.46,23 1,24 42.683,25 1,27 6.46,28 0.279,29 3.313,30 3.313,31 5.313,32 3.313,33 5.259,35 3.645,36 10.762,37 6.771,38 2.009,40 0.853,41 4.439,42 4.439,44 0.622,45 13.427,46 8.626,47 5.506,48 1.41,49 3.843,50 3.825,51 3.825,52 16.104,54 66.334,55 18.785,56 0.451,57 12.09,59 5.355,60 3,61 0.856,62 1.834,63 5,64 0.97,66 8.132,67 -0.479,68 1.351,69 6.604}
{0 CHEMBL516492,1 1,2 1,3 4.443,4 7.291,5 7.291,6 6.049,7 1,8 1,9 12.946,10 12.946,11 12.946,12 9.425,13 10.604,14 4.445,15 4.445,16 5.598,17 19.823,18 10.368,21 4.46,22 4.46,23 1,24 42.683,25 1,27 6.46,28 0.222,29 3.457,30 3.457,31 5.457,32 3.457,33 5.579,35 3.931,36 10.979,37 6.771,38 1.994,40 0.778,41 4.464,42 4.464,44 0.638,45 13.564,46 8.692,47 6.775,48 1.396,49 4.239,50 3.825,51 3.825,52 16.188,54 66.334,55 18.836,56 0.619,57 12.09,59 5.412,60 3,61 0.777,62 1.711,63 5,64 0.895,66 8.457,67 -1.022,68 1.429,69 7.633}
{0 CHEMBL516510,1 1,2 1,3 3.603,4 7.228,5 7.228,6 3.917,7 1,8 1,9 12.079,10 12.079,11 12.079,12 6.111,13 24.512,14 4.316,15 4.316,16 2.71,17 19.08,18 15.458,20 3,21 4.1,22 4.1,23 1,24 60.694,25 1,27 6.1,28 0.282,29 3.36,30 3.36,31 5.36,32 3.36,33 5.377,34 1,35 2.802,36 7.142,37 4.238,38 2.092,40 1.261,41 4.503,42 4.503,44 1.088,45 8.879,46 9.309,47 4.104,48 1.681,49 4.412,50 2.423,51 2.423,52 10.635,54 75.81,55 12.399,56 0.787,57 7.928,58 4.1,59 5.392,60 3,61 1.166,62 1.866,63 7,64 1.312,66 5.454,67 -1.288,68 1.672,69 5.688}
{0 CHEMBL516511,1 1,2 1,3 3.577,4 7.229,5 7.229,6 3.917,7 1,8 1,9 12.085,10 12.085,11 12.085,12 6.111,13 24.268,14 4.317,15 4.317,16 2.753,17 19.107,18 15.247,20 3,21 4.101,22 4.101,23 1,24 60.694,25 1,27 6.101,28 0.291,29 3.361,30 3.361,31 5.361,32 3.361,33 5.379,34 1,35 2.802,36 7.142,37 4.238,38 2.095,40 1.264,41 4.513,42 4.513,43 1,44 1.122,45 8.879,46 9.309,47 4.104,48 1.682,49 4.4,50 2.423,51 2.423,52 10.635,54 75.81,55 12.399,56 0.709,57 7.928,58 4.2,59 5.393,60 2,61 0.964,62 1.889,63 7,64 1.305,66 5.454,67 -1.377,68 1.681,69 4.602}
{0 CHEMBL516824,1 1,2 1,3 3.567,4 7.228,5 7.228,6 3.895,7 1,8 1,9 12.079,10 12.079,11 12.079,12 6.111,13 23.861,14 4.315,15 4.315,16 2.707,17 19.08,18 15.328,20 8,21 4.1,22 4.1,23 1,24 77.357,25 1,27 6.1,28 0.29,29 3.36,30 3.36,31 5.36,32 3.36,33 5.376,34 2,35 2.708,36 7.141,37 4.238,38 2.094,40 1.245,41 4.462,42 4.462,44 0.981,45 8.879,46 9.239,47 4.104,48 1.535,49 4.313,50 2.423,51 2.423,52 10.635,54 75.81,55 12.399,56 0.631,57 7.928,58 4.7,59 5.341,60 3,61 1.074,62 1.866,63 7,64 1.165,66 5.451,67 -1.324,68 1.51,69 4.602}
{0 CHEMBL516827,3 3.008,4 6.663,5 6.663,6 2.158,7 5,8 2,9 10.498,10 10.498,11 10.498,14 4.107,15 4.107,16 2.881,17 18.023,18 13.464,20 9,21 3.562,22 3.562,23 7,24 298.783,27 5.562,28 0.355,29 3.157,30 3.157,31 5.157,32 3.157,33 5.156,34 10,35 1.693,36 3.372,38 2.07,40 0.895,41 4.157,42 4.157,44 1.028,45 4.015,46 69.379,47 2.783,48 1.568,49 4.013,50 1.392,51 1.392,52 4.667,54 289.586,55 5.323,56 0.824,59 5.157,61 0.949,62 1.928,63 4,64 1.152,65 -8.221,66 2.745,68 1.56,69 4.533}
{0 CHEMBL516960,1 1,2 1,3 4.46,4 7.111,5 7.111,6 6.233,7 1,8 1,9 11.657,10 11.657,11 11.657,12 9.425,13 10.493,14 4.17,15 4.17,16 5.633,17 18.533,18 9.272,20 1,21 4.47,22 4.47,23 1,24 42.683,25 1,27 6.47,28 0.264,29 3.313,30 3.313,31 5.313,32 3.313,33 5.297,35 4.044,36 11.217,37 6.771,38 1.992,40 0.86,41 4.439,42 4.439,44 0.727,45 13.788,46 8.592,47 7.112,48 1.158,49 3.842,50 3.825,51 3.825,52 16.383,54 66.334,55 18.999,56 0.218,57 12.09,59 5.356,60 1,61 0.949,62 1.819,63 5,64 0.873,66 8.685,67 -0.369,68 1.18,69 6.301}
{0 CHEMBL516964,1 1,2 1,3 3.577,4 7.228,5 7.228,6 3.898,7 1,8 1,9 12.079,10 12.079,11 12.079,12 6.111,13 24.258,14 4.317,15 4.317,16 2.71,17 19.08,18 15.501,20 4,21 4.1,22 4.1,23 1,24 60.694,25 1,27 6.1,28 0.288,29 3.36,30 3.36,31 5.36,32 3.36,33 5.377,34 1,35 2.743,36 7.141,37 4.238,38 2.095,40 1.237,41 4.514,42 4.514,44 1.009,45 8.879,46 9.288,47 4.104,48 1.692,49 4.401,50 2.423,51 2.423,52 10.635,54 85.286,55 12.399,56 0.788,57 7.928,58 4.2,59 5.394,60 3,61 1.079,62 1.887,63 7,64 1.237,66 5.451,67 -1.325,68 1.695,69 4.602}
{0 CHEMBL517251,1 1,2 1,3 4.441,4 7.111,5 7.111,6 6.298,7 1,8 1,9 11.657,10 11.657,11 11.657,12 9.425,13 10.591,14 4.17,15 4.17,16 5.659,17 18.533,18 9.631,21 4.46,22 4.46,23 1,24 42.683,25 1,27 6.46,28 0.251,29 3.313,30 3.313,31 5.313,32 3.313,33 5.295,35 4.179,36 11.225,37 6.771,38 1.996,40 0.818,41 4.439,42 4.439,44 0.688,45 13.79,46 8.675,47 7.112,48 1.406,49 3.926,50 3.825,51 3.825,52 16.384,54 75.81,55 18.999,56 0.485,57 12.09,58 2.1,59 5.355,60 3,61 1.01,62 1.816,63 5,64 0.884,66 8.709,67 -0.404,68 1.362,69 7.451}
{0 CHEMBL517392,1 1,2 1,3 4.44,4 7.111,5 7.111,6 6.233,7 1,8 1,9 11.657,10 11.657,11 11.657,12 9.425,13 10.706,14 4.17,15 4.17,16 5.639,17 18.533,18 19.821,21 4.46,22 4.46,23 1,24 42.683,25 1,27 6.46,28 0.25,29 3.313,30 3.313,31 5.313,32 3.313,33 5.296,35 4.044,36 11.217,37 6.771,38 2.048,40 0.808,41 4.439,42 4.439,44 0.628,45 13.788,46 8.772,47 7.112,48 1.438,49 4.065,50 3.825,51 3.825,52 16.383,54 123.191,55 18.999,56 0.618,57 12.09,59 5.355,60 3,61 0.682,62 1.986,63 6,64 0.862,66 8.685,67 -0.096,68 1.458,69 7.342}
{0 CHEMBL517436,1 1,2 1,3 3.779,4 7.142,5 7.142,6 5.608,7 1,8 1,9 12.104,10 12.104,11 12.104,12 9.425,13 11.173,14 4.321,15 4.321,16 5.886,17 19.463,18 13.537,20 1,21 4.461,22 4.461,23 1,24 42.683,25 1,27 6.461,28 0.378,29 3.399,30 3.399,31 5.399,32 3.399,33 5.41,35 3.529,36 10.761,37 6.771,38 2.011,40 0.886,41 4.776,42 4.776,43 1,44 0.964,45 13.427,46 9.131,47 5.506,48 1.491,49 4.258,50 3.825,51 3.825,52 16.104,53 0.461,54 85.286,55 18.785,56 0.598,57 12.09,58 3.6,59 5.608,60 3,61 1.159,62 1.91,63 8,64 0.985,65 -1.151,66 8.128,67 -1.17,68 1.424,69 4.301}
{0 CHEMBL518348,1 1,2 1,3 3.576,4 7.228,5 7.228,6 3.895,7 1,8 1,9 12.079,10 12.079,11 12.079,12 6.111,13 24.044,14 4.317,15 4.317,16 2.705,17 19.08,18 15.508,20 3,21 4.1,22 4.1,23 1,24 60.694,25 1,27 6.1,28 0.306,29 3.36,30 3.36,31 5.36,32 3.36,33 5.377,34 1,35 2.708,36 7.141,37 4.238,38 2.095,40 1.249,41 4.504,42 4.504,44 0.963,45 8.879,46 9.26,47 4.104,48 1.64,49 4.395,50 2.423,51 2.423,52 10.635,54 75.81,55 12.399,56 0.734,57 7.928,58 4.5,59 5.384,60 3,61 0.954,62 1.867,63 7,64 1.253,66 5.451,67 -1.304,68 1.653,69 5}
{0 CHEMBL518499,1 1,2 1,3 3.512,4 7.019,5 7.019,6 3.863,7 1,8 1,9 11.993,10 11.993,11 11.993,12 6.111,13 11.148,14 4.288,15 4.288,16 2.771,17 19.242,18 14.897,20 1,21 3.779,22 3.779,23 1,24 42.683,25 1,27 5.779,28 0.404,29 3.341,30 3.341,31 5.341,32 3.341,33 5.377,35 2.656,36 7.139,37 4.238,38 2.009,40 0.99,41 4.761,42 4.761,43 1,44 1.09,45 8.878,46 9.121,47 4.104,48 1.353,49 4.02,50 2.423,51 2.423,52 10.635,53 1.057,54 85.286,55 12.399,56 0.586,57 7.928,58 3.8,59 5.593,60 3,61 1.065,62 1.896,63 8,64 1.093,65 -1.068,66 5.441,67 -1.104,68 1.381,69 4.301}
{0 CHEMBL519345,1 1,2 1,3 3.64,4 7.67,5 7.67,6 2.518,7 1,8 1,9 13.639,10 13.639,11 13.639,13 50.396,14 4.447,15 4.447,16 4.768,17 21.682,18 16.138,20 2,21 4.727,22 4.727,23 1,24 60.694,26 1,27 6.727,28 0.325,29 3.522,30 3.522,31 5.522,32 3.522,33 5.512,34 3,35 2.108,36 3.702,38 2.095,40 1.249,41 4.938,42 4.938,44 0.892,45 4.375,46 9.236,47 2.873,48 1.43,49 4.21,50 1.437,51 1.437,52 5.073,54 110.046,55 5.783,56 0.47,58 3.9,59 5.882,60 1,61 1.025,62 1.95,63 7,64 1.056,66 3.071,67 -2.11,68 1.39,69 6.3}
{0 CHEMBL519504,1 1,2 1,3 3.272,4 6.71,5 6.71,6 3.859,7 1,8 1,9 10.903,10 10.903,11 10.903,12 6.111,13 11.312,14 4.119,15 4.119,16 2.634,17 18.135,18 17.604,20 1,21 3.787,22 3.787,23 1,24 42.683,25 1,27 5.787,28 0.336,29 3.162,30 3.162,31 5.162,32 3.162,33 5.229,35 2.617,36 7.139,37 4.238,38 2.019,40 1.035,41 4.605,42 4.605,43 1,44 1.196,45 8.878,46 9.273,47 4.104,48 1.473,49 3.909,50 2.423,51 2.423,52 10.635,53 1.995,54 83.459,55 12.399,56 0.63,57 7.928,58 1.9,59 5.488,60 3,61 0.782,62 1.849,63 6,64 1.097,65 -0.869,66 5.441,67 -0.967,68 1.522,69 7.276}
{0 CHEMBL519854,1 1,2 1,3 3.596,4 6.681,5 6.681,6 3.914,7 1,8 1,9 10.721,10 10.721,11 10.721,12 5.889,13 22.551,14 4.106,15 4.106,16 2.409,17 17.485,19 1,21 3.817,22 3.817,23 1,24 42.683,25 1,26 1,27 5.744,28 0.209,29 3.146,30 3.146,31 5.126,32 3.146,33 5.168,34 1,35 2.847,36 6.888,37 4.112,38 2.05,40 0.851,41 4.333,42 4.333,43 1,44 0.991,45 8.539,46 8.6,47 3.925,48 1.533,49 3.324,50 2.341,51 2.341,52 10.22,54 9.476,55 11.913,56 0.764,57 7.625,59 5.302,61 0.802,62 1.893,64 1.288,65 -0.087,66 5.313,67 0.477,68 1.559,69 5}
{0 CHEMBL520508,1 1,2 1,3 3.596,4 6.716,5 6.716,6 3.903,7 1,8 1,9 10.902,10 10.902,11 10.902,12 5.889,13 23.231,14 4.157,15 4.157,16 2.417,17 17.798,19 1,21 3.825,22 3.825,23 1,24 42.683,25 1,26 1,27 5.752,28 0.174,29 3.166,30 3.166,31 5.147,32 3.166,33 5.218,34 2,35 2.835,36 6.884,37 4.112,38 2.05,40 0.861,41 4.408,42 4.408,43 1,44 1.037,45 8.537,46 8.737,47 3.925,48 1.676,49 3.55,50 2.341,51 2.341,52 10.219,54 9.476,55 11.913,56 0.982,57 7.625,59 5.376,61 0.949,62 1.99,64 1.366,65 -0.318,66 5.306,67 0.26,68 1.688,69 5}
{0 CHEMBL520827,1 1,2 1,3 3.64,4 7.67,5 7.67,6 2.602,7 1,8 1,9 13.64,10 13.64,11 13.64,13 50.954,14 4.448,15 4.448,16 4.796,17 21.689,18 15.239,20 2,21 4.727,22 4.727,23 1,24 60.694,26 1,27 6.727,28 0.33,29 3.523,30 3.523,31 5.523,32 3.523,33 5.516,34 3,35 2.273,36 3.716,38 2.079,40 1.39,41 4.938,42 4.938,43 2,44 0.873,45 4.381,46 9.369,47 2.873,48 1.486,49 4.368,50 1.437,51 1.437,52 5.075,54 100.57,55 5.783,56 0.571,58 3.6,59 5.884,60 1,61 1.212,62 1.942,63 8,64 1.226,66 3.108,67 -1.897,68 1.505,69 5.9}
{0 CHEMBL521007,1 1,2 1,3 3.272,4 6.71,5 6.71,6 3.905,7 1,8 1,9 10.903,10 10.903,11 10.903,12 6.111,13 11.364,14 4.119,15 4.119,16 2.646,17 18.135,18 13.225,20 1,21 3.787,22 3.787,23 1,24 42.683,25 1,27 5.787,28 0.362,29 3.162,30 3.162,31 5.162,32 3.162,33 5.229,35 2.812,36 7.14,37 4.238,38 2.019,40 0.991,41 4.605,42 4.605,43 1,44 1.077,45 8.878,46 9.313,47 4.104,48 1.558,49 4.117,50 2.423,51 2.423,52 10.635,53 1.95,54 64.507,55 12.399,56 0.63,57 7.928,58 1.6,59 5.488,60 3,61 0.874,62 1.849,63 8,64 1.215,65 -0.888,66 5.448,67 -0.979,68 1.565,69 6.169}
{0 CHEMBL522224,1 1,2 1,3 3.638,4 7.749,5 7.749,6 2.487,7 1,8 1,9 14.072,10 14.072,11 14.072,13 50.968,14 4.515,15 4.515,16 4.875,17 22.535,18 19.04,20 2,21 4.723,22 4.723,23 1,24 60.694,26 1,27 6.723,28 0.353,29 3.583,30 3.583,31 5.583,32 3.583,33 5.594,34 4,35 1.997,36 3.7,38 2.05,40 1.229,41 5.035,42 5.035,44 1.022,45 4.375,46 9.406,47 2.873,48 1.472,49 4.377,50 1.437,51 1.437,52 5.073,53 1.371,54 119.094,55 5.783,56 0.616,58 3.8,59 5.883,60 1,61 1.03,62 1.978,63 6,64 1.148,66 3.063,67 -1.78,68 1.499,69 7.1}
{0 CHEMBL522238,1 1,2 1,3 4.46,4 7.111,5 7.111,6 6.25,7 1,8 1,9 11.657,10 11.657,11 11.657,12 9.425,13 10.789,14 4.17,15 4.17,16 5.665,17 18.885,18 13.29,20 1,21 4.593,22 4.593,23 1,24 42.683,25 1,27 6.593,28 0.298,29 3.313,30 3.313,31 5.313,32 3.313,33 5.314,35 4.201,36 11.048,37 6.771,38 2.025,40 0.773,41 4.453,42 4.453,44 0.721,45 13.6,46 8.836,47 6.775,48 1.48,49 4.257,50 3.825,51 3.825,52 16.206,54 85.286,55 18.844,56 0.626,57 12.09,58 1.7,59 5.29,60 3,61 0.95,62 1.95,63 9,64 0.895,66 8.581,67 -1.063,68 1.467,69 5.959}
{0 CHEMBL522366,1 1,2 1,3 3.587,4 7.224,5 7.224,6 3.859,7 1,8 1,9 12.055,10 12.055,11 12.055,12 6.111,13 24.15,14 4.307,15 4.307,16 2.677,17 19.307,18 24.156,20 1,21 4.099,22 4.099,23 1,24 42.683,25 1,27 6.099,28 0.312,29 3.354,30 3.354,31 5.354,32 3.354,33 5.384,35 2.617,36 7.139,37 4.238,38 2.163,40 1.428,41 4.603,42 4.603,44 1.107,45 8.878,46 9.329,47 4.104,48 1.697,49 4.415,50 2.423,51 2.423,52 10.635,53 4.159,54 127.289,55 12.399,56 0.816,57 7.928,58 1.4,59 5.51,60 2,61 0.747,62 1.9,63 5,64 1.179,66 5.441,67 -1.067,68 1.702,69 5}
{0 CHEMBL522575,1 1,2 1,3 3.638,4 7.737,5 7.737,6 2.487,7 1,8 1,9 13.992,10 13.992,11 13.992,13 50.873,14 4.501,15 4.501,16 4.869,17 22.416,18 19.032,20 2,21 4.722,22 4.722,23 1,24 60.694,26 1,27 6.722,28 0.353,29 3.571,30 3.571,31 5.571,32 3.571,33 5.579,34 3,35 1.997,36 3.7,38 2.05,40 1.218,41 5.025,42 5.025,44 0.862,45 4.375,46 9.403,47 2.873,48 1.488,49 4.371,50 1.437,51 1.437,52 5.073,53 1.333,54 119.094,55 5.783,56 0.625,58 3.8,59 5.873,60 1,61 1.09,62 1.978,63 6,64 1.148,66 3.063,67 -1.781,68 1.52,69 7.3}
{0 CHEMBL522577,1 1,2 1,3 3.64,4 7.739,5 7.739,6 2.574,7 1,8 1,9 14.007,10 14.007,11 14.007,13 51.088,14 4.509,15 4.509,16 4.947,17 22.465,18 16.03,20 2,21 4.722,22 4.722,23 1,24 60.694,26 1,27 6.722,28 0.361,29 3.577,30 3.577,31 5.577,32 3.577,33 5.588,34 3,35 2.18,36 3.715,38 2.031,40 1.283,41 5.03,42 5.03,43 2,44 0.929,45 4.381,46 9.369,47 2.873,48 1.46,49 4.379,50 1.437,51 1.437,52 5.075,53 1.196,54 109.617,55 5.783,56 0.574,58 3.8,59 5.878,60 1,61 0.95,62 1.943,63 7,64 1.195,66 3.1,67 -1.93,68 1.446,69 7.8}
{0 CHEMBL522619,1 1,2 1,3 4.461,4 7.67,5 7.67,6 5.469,7 1,8 1,9 13.639,10 13.639,11 13.639,12 9.388,13 50.649,14 4.447,15 4.447,16 6.01,17 21.682,18 14.601,20 2,21 4.727,22 4.727,23 1,24 60.694,26 1,27 6.727,28 0.303,29 3.522,30 3.522,31 5.522,32 3.522,33 5.512,34 3,35 3.335,36 10.735,37 6.69,38 2.095,40 1.164,41 4.938,42 4.938,44 0.84,45 13.417,46 9.301,47 5.335,48 1.47,49 4.23,50 3.825,51 3.825,52 16.1,54 110.046,55 18.783,56 0.474,57 12.074,58 3.7,59 5.882,60 1,61 0.792,62 1.963,63 7,64 0.962,66 8.064,67 -2.526,68 1.444,69 6.8}
{0 CHEMBL523306,3 3.65,4 7.083,5 7.083,6 4.243,9 12.161,10 12.161,11 12.161,12 5.486,13 51.665,14 4.317,15 4.317,16 2.37,17 19.676,18 19.887,20 4,21 4.13,22 4.13,24 18.011,27 6.13,28 0.359,29 3.363,30 3.363,31 5.363,32 3.363,33 5.366,34 1,35 3.35,36 6.559,37 4.045,38 2.024,39 1,40 1.274,41 4.523,42 4.523,44 1.129,45 7.826,47 3.722,48 1.607,49 4.061,50 2.047,51 2.047,52 9.133,54 113.715,55 10.469,56 0.582,57 6.89,58 4.6,59 5.486,61 1.387,62 1.984,63 6,64 1.4,65 -1.037,66 5.351,67 -2.022,68 1.583,69 5.143}
{0 CHEMBL523334,1 1,2 1,3 3.313,4 7.224,5 7.224,6 3.868,7 1,8 1,9 12.055,10 12.055,11 12.055,12 6.111,13 11.398,14 4.307,15 4.307,16 2.661,17 19.281,18 31.513,20 1,21 4.099,22 4.099,23 1,24 42.683,25 1,27 6.099,28 0.281,29 3.354,30 3.354,31 5.354,32 3.354,33 5.383,35 2.682,36 7.139,37 4.238,38 2.177,40 1.383,41 4.589,42 4.589,44 1.105,45 8.878,46 9.341,47 4.104,48 1.785,49 4.415,50 2.423,51 2.423,52 10.635,53 4.643,54 141.715,55 12.399,56 1.019,57 7.928,58 1.3,59 5.497,60 2,61 0.716,62 2.022,63 5,64 1.146,66 5.441,67 -0.994,68 1.82,69 5}
{0 CHEMBL523395,1 1,2 1,3 3.634,4 7.67,5 7.67,6 2.518,7 1,8 1,9 13.639,10 13.639,11 13.639,13 50.428,14 4.447,15 4.447,16 4.713,17 21.682,18 19.529,20 2,21 4.727,22 4.727,23 1,24 60.694,26 1,27 6.727,28 0.297,29 3.522,30 3.522,31 5.522,32 3.522,33 5.511,34 3,35 2.108,36 3.702,38 2.095,40 1.383,41 4.938,42 4.938,44 1.004,45 4.375,46 9.278,47 2.873,48 1.429,49 4.209,50 1.437,51 1.437,52 5.073,54 119.522,55 5.783,56 0.472,58 3.9,59 5.882,60 1,61 1.154,62 1.967,63 6,64 1.169,66 3.071,67 -1.757,68 1.396,69 5.9}
{0 CHEMBL523594,1 1,2 1,3 3.638,4 7.75,5 7.75,6 2.574,7 1,8 1,9 14.083,10 14.083,11 14.083,13 51.13,14 4.515,15 4.515,16 4.965,17 22.553,18 18.469,20 2,21 4.723,22 4.723,23 1,24 60.694,26 1,27 6.723,28 0.345,29 3.584,30 3.584,31 5.584,32 3.584,33 5.594,34 3,35 2.18,36 3.715,38 2.039,40 1.274,41 5.036,42 5.036,44 0.859,45 4.381,46 9.416,47 2.873,48 1.518,49 4.378,50 1.437,51 1.437,52 5.075,53 1.077,54 119.094,55 5.783,56 0.578,58 3.8,59 5.884,60 1,61 1.08,62 1.975,63 6,64 1.195,66 3.1,67 -1.813,68 1.53,69 6.2}
{0 CHEMBL524063,1 1,2 1,3 4.46,4 7.111,5 7.111,6 6.074,7 1,8 1,9 11.657,10 11.657,11 11.657,12 9.425,13 10.798,14 4.17,15 4.17,16 5.655,17 18.885,18 13.523,20 1,21 4.593,22 4.593,23 1,24 42.683,25 1,27 6.593,28 0.297,29 3.313,30 3.313,31 5.313,32 3.313,33 5.314,35 4.028,36 10.98,37 6.771,38 2.025,40 0.804,41 4.453,42 4.453,44 0.707,45 13.565,46 8.844,47 6.775,48 1.48,49 4.257,50 3.825,51 3.825,52 16.188,54 85.286,55 18.836,56 0.631,57 12.09,59 5.29,60 3,61 0.899,62 1.95,63 9,64 0.882,66 8.461,67 -1.053,68 1.468,69 7.268}
{0 CHEMBL52426,3 3.783,4 6.491,5 6.491,6 6.722,9 10.118,10 10.118,11 10.118,12 9.91,13 23.151,14 4.011,15 4.011,16 1.98,17 16.858,18 20.379,19 1,21 4.875,22 4.875,24 18.011,27 6.875,28 0.292,29 3.061,30 3.061,31 5.061,32 3.061,33 5.12,34 1,35 4.03,36 12.677,37 6.639,38 2.045,39 1,40 0.733,41 4.283,42 4.283,43 1,44 0.918,45 15.686,47 8.891,48 1.626,49 4.016,50 4.628,51 4.628,52 18.702,54 104.239,55 21.724,56 0.657,57 13.141,58 1.6,59 5.208,61 0.524,62 1.946,63 7,64 1.108,65 -0.495,66 9.679,67 -0.594,68 1.566,69 4.301}
{0 CHEMBL524829,1 1,2 1,3 3.64,4 7.67,5 7.67,6 2.602,7 1,8 1,9 13.64,10 13.64,11 13.64,13 50.893,14 4.447,15 4.447,16 4.783,17 21.683,18 15.265,20 2,21 4.727,22 4.727,23 1,24 60.694,26 1,27 6.727,28 0.33,29 3.522,30 3.522,31 5.522,32 3.522,33 5.514,34 3,35 2.273,36 3.716,38 2.082,40 1.376,41 4.938,42 4.938,44 1.056,45 4.381,46 9.366,47 2.873,48 1.449,49 4.276,50 1.437,51 1.437,52 5.075,54 100.57,55 5.783,56 0.574,58 3.6,59 5.883,60 1,61 0.96,62 1.942,63 8,64 1.226,66 3.108,67 -1.893,68 1.475,69 6.1}
{0 CHEMBL525262,1 1,2 1,3 4.46,4 7.111,5 7.111,6 6.061,7 1,8 1,9 11.657,10 11.657,11 11.657,12 9.425,13 10.904,14 4.17,15 4.17,16 5.651,17 18.885,18 13.983,20 1,21 4.593,22 4.593,23 1,24 42.683,25 1,27 6.593,28 0.283,29 3.313,30 3.313,31 5.313,32 3.313,33 5.318,35 4.026,36 10.979,37 6.771,38 2.026,40 0.731,41 4.453,42 4.453,44 0.807,45 13.564,46 8.932,47 6.775,48 1.62,49 4.257,50 3.825,51 3.825,52 16.188,54 85.286,55 18.836,56 0.825,57 12.09,58 1.4,59 5.453,60 3,61 0.781,62 1.966,63 9,64 1.048,66 8.458,67 -1.04,68 1.629,69 5}
{0 CHEMBL525366,1 1,2 1,3 3.638,4 7.739,5 7.739,6 2.574,7 1,8 1,9 14.006,10 14.006,11 14.006,13 51.003,14 4.506,15 4.506,16 4.933,17 22.456,18 18.359,20 2,21 4.722,22 4.722,23 1,24 60.694,26 1,27 6.722,28 0.345,29 3.575,30 3.575,31 5.575,32 3.575,33 5.584,34 2,35 2.18,36 3.715,38 2.039,40 1.264,41 5.028,42 5.028,44 0.999,45 4.381,46 9.412,47 2.873,48 1.497,49 4.378,50 1.437,51 1.437,52 5.075,53 1.077,54 119.094,55 5.783,56 0.571,58 3.8,59 5.876,60 1,61 1.449,62 1.973,63 6,64 1.195,66 3.1,67 -1.808,68 1.52,69 7.4}
{0 CHEMBL525552,1 1,2 1,3 3.638,4 7.736,5 7.736,6 2.574,7 1,8 1,9 13.99,10 13.99,11 13.99,13 50.917,14 4.5,15 4.5,16 4.913,17 22.412,18 18.349,20 2,21 4.722,22 4.722,23 1,24 60.694,26 1,27 6.722,28 0.345,29 3.57,30 3.57,31 5.57,32 3.57,33 5.579,34 3,35 2.18,36 3.715,38 2.039,40 1.261,41 5.024,42 5.024,43 2,44 0.957,45 4.381,46 9.408,47 2.873,48 1.52,49 4.373,50 1.437,51 1.437,52 5.075,53 1.156,54 119.094,55 5.783,56 0.581,58 3.8,59 5.872,60 1,61 1.145,62 1.974,63 6,64 1.195,66 3.1,67 -1.804,68 1.537,69 6.55}
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{0 CHEMBL561006,1 1,2 1,3 3.213,4 6.335,5 6.335,6 3.685,7 1,8 1,9 9.395,10 9.395,11 9.395,12 5.889,13 10.548,14 3.926,15 3.926,16 2.445,17 16.063,18 13.631,21 3.6,22 3.6,23 1,24 42.683,25 1,26 1,27 5.6,28 0.265,29 2.947,30 2.947,31 4.947,32 2.947,33 5.007,35 2.527,36 6.85,37 4.112,38 2.053,40 0.928,41 4.316,42 4.316,44 0.938,45 8.526,46 8.674,47 3.925,48 1.418,49 3.59,50 2.341,51 2.341,52 10.216,54 66.334,55 11.912,56 0.585,57 7.625,59 5.233,60 2,61 0.374,62 1.847,63 5,64 1.193,66 5.21,67 -0.779,68 1.461,69 4.951}
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{0 CHEMBL573966,3 2.934,4 6.744,5 6.744,6 1.159,8 1,9 10.93,10 10.93,11 10.93,13 12.457,14 4.182,15 4.182,16 1.806,17 18.362,18 11.666,20 1,21 3.666,22 3.666,23 1,24 42.683,27 5.666,28 0.375,29 3.183,30 3.183,31 5.183,32 3.183,33 5.268,34 1,35 1.376,36 0.787,38 2.046,40 1.098,41 4.533,42 4.533,44 1.094,45 0.634,46 9.397,47 1.72,48 1.013,49 3.788,50 0.86,51 0.86,52 0.504,54 66.334,55 0.395,56 0.158,59 5.389,61 1.199,62 1.583,63 5,64 0.97,66 0.963,67 0.321,68 1.041,69 4.905}
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{0 CHEMBL583378,3 2.938,4 6.742,5 6.742,6 0.739,8 1,9 10.916,10 10.916,11 10.916,13 12.29,14 4.178,15 4.178,16 2.029,17 18.335,18 9.926,20 1,21 3.666,22 3.666,23 1,24 42.683,27 5.666,28 0.398,29 3.18,30 3.18,31 5.18,32 3.18,33 5.264,34 2,35 0.908,36 0.469,38 2.044,40 1.049,41 4.529,42 4.529,44 1.118,45 0.366,46 9.334,47 1.72,48 1.001,49 3.771,50 0.86,51 0.86,52 0.283,54 66.334,55 0.217,56 0.028,59 5.384,61 0.698,62 1.494,63 5,64 0.756,66 0.593,67 0.144,68 0.98,69 4.613}
{0 CHEMBL590983,1 1,2 1,3 3.79,4 7.051,5 7.051,6 5.206,7 1,8 1,9 12.164,10 12.164,11 12.164,12 4.654,13 25.01,14 4.304,15 4.304,16 2.594,17 19.412,18 31.433,20 3,21 4.403,22 4.403,23 1,24 60.694,26 1,27 6.403,28 0.334,29 3.352,30 3.352,31 5.352,32 3.352,33 5.339,34 2,35 3.403,36 9.374,37 3.168,38 2.101,40 0.91,41 4.768,42 4.768,43 1,44 0.979,45 11.522,46 9.615,47 5.9,48 1.752,49 4.21,50 2.95,51 2.95,52 13.679,53 2.278,54 151.62,55 15.84,56 0.962,57 6.091,58 2.6,59 5.644,60 2,61 0.415,62 2.005,63 8,64 1.053,65 -0.201,66 7.252,67 -0.922,68 1.781,69 5}
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{0 CHEMBL602263,1 1,2 1,3 3.594,4 6.738,5 6.738,6 2.526,7 1,8 1,9 11,10 11,11 11,13 24.68,14 4.174,15 4.174,16 2.6,17 18.014,18 33.061,20 2,21 3.609,22 3.609,23 1,24 60.694,26 1,27 5.609,28 0.35,29 3.209,30 3.209,31 5.209,32 3.209,33 5.2,34 2,35 2.135,36 3.715,38 2.101,40 0.985,41 4.643,42 4.643,44 1.039,45 4.386,46 9.517,47 2.873,48 1.746,49 4.154,50 1.437,51 1.437,52 5.08,53 2.087,54 161.096,55 5.787,56 0.895,58 2.9,59 5.522,60 2,61 0.887,62 2.016,63 7,64 1.054,65 -0.031,66 3.084,67 -1.011,68 1.77,69 5}
{0 CHEMBL602468,1 1,2 1,3 3.599,4 6.981,5 6.981,6 2.526,7 1,8 1,9 11.784,10 11.784,11 11.784,13 24.823,14 4.295,15 4.295,16 2.599,17 19.033,18 31.084,20 2,21 3.609,22 3.609,23 1,24 60.694,26 1,27 5.609,28 0.367,29 3.325,30 3.325,31 5.325,32 3.325,33 5.322,34 2,35 2.135,36 3.715,38 2.101,40 0.977,41 4.751,42 4.751,44 1.024,45 4.386,46 9.543,47 2.873,48 1.751,49 4.16,50 1.437,51 1.437,52 5.08,53 2.15,54 151.62,55 5.787,56 0.934,58 2.8,59 5.631,60 2,61 0.834,62 2.022,63 8,64 1.067,65 -0.035,66 3.084,67 -1.007,68 1.78,69 5}
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{0 CHEMBL602670,1 1,2 1,3 3.572,4 6.981,5 6.981,6 2.5,7 1,8 1,9 11.783,10 11.783,11 11.783,13 24.478,14 4.294,15 4.294,16 2.597,17 19.029,18 31.34,20 3,21 3.609,22 3.609,23 1,24 60.694,26 1,27 5.609,28 0.34,29 3.325,30 3.325,31 5.325,32 3.325,33 5.318,34 2,35 2.068,36 3.7,38 2.101,40 1,41 4.751,42 4.751,44 1.034,45 4.375,46 9.532,47 2.873,48 1.777,49 4.098,50 1.437,51 1.437,52 5.073,53 2.169,54 151.62,55 5.783,56 0.933,58 2.8,59 5.667,60 2,61 1.097,62 2.03,63 8,64 1.067,66 3.065,67 -0.98,68 1.791,69 5}
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{0 CHEMBL606422,1 1,2 1,3 3.609,4 7.016,5 7.016,6 5.1,7 1,8 1,9 11.97,10 11.97,11 11.97,13 24.931,14 4.294,15 4.294,16 2.6,17 19.227,18 31.13,20 2,21 4.4,22 4.4,23 1,24 60.694,26 1,27 6.4,28 0.351,29 3.339,30 3.339,31 5.339,32 3.339,33 5.323,34 2,35 3.253,36 9.351,38 2.101,40 0.983,41 4.761,42 4.761,44 1.046,45 11.512,46 9.564,47 5.9,48 1.739,49 4.161,50 2.95,51 2.95,52 13.675,53 2.145,54 151.62,55 15.838,56 0.911,58 2.8,59 5.641,60 2,61 1.098,62 2.009,63 8,64 1.029,65 -0.041,66 7.2,67 -1.01,68 1.764,69 5}
{0 CHEMBL606425,1 1,2 1,3 3.595,4 6.744,5 6.744,6 2.526,7 1,8 1,9 11.031,10 11.031,11 11.031,13 24.82,14 4.178,15 4.178,16 2.604,17 18.015,18 33.04,20 3,21 3.609,22 3.609,23 1,24 60.694,26 1,27 5.609,28 0.35,29 3.213,30 3.213,31 5.213,32 3.213,33 5.205,34 2,35 2.135,36 3.715,38 2.101,40 0.985,41 4.647,42 4.647,44 0.996,45 4.386,46 9.534,47 2.873,48 1.749,49 4.146,50 1.437,51 1.437,52 5.08,53 2.087,54 161.096,55 5.787,56 0.895,58 2.9,59 5.526,60 2,61 0.73,62 2.016,63 7,64 1.054,65 -0.044,66 3.084,67 -1.026,68 1.77,69 5}
{0 CHEMBL609901,3 4.46,4 7.295,5 7.295,6 5.94,9 12.409,10 12.409,11 12.409,12 9.388,13 36.191,14 4.251,15 4.251,16 5.847,17 19.632,18 6.508,20 1,21 5.246,22 5.246,24 18.011,27 7.246,28 0.246,29 3.392,30 3.392,31 5.392,32 3.392,33 5.369,35 3.701,36 10.957,37 6.69,38 2.011,40 1.226,41 4.846,42 4.846,43 1,44 0.907,45 13.555,47 6.775,48 1.296,49 4.292,50 3.825,51 3.825,52 16.184,54 53.427,55 18.834,56 0.212,57 12.074,58 5,59 5.769,61 1.287,62 1.763,63 5,64 0.993,66 8.407,67 -0.486,68 1.23,69 6.75}
{0 CHEMBL611073,3 4.46,4 7.295,5 7.295,6 5.94,9 12.409,10 12.409,11 12.409,12 9.388,13 36.155,14 4.251,15 4.251,16 5.851,17 19.632,18 6.331,20 1,21 5.246,22 5.246,24 18.011,27 7.246,28 0.23,29 3.392,30 3.392,31 5.392,32 3.392,33 5.369,35 3.701,36 10.957,37 6.69,38 1.945,40 1.313,41 4.846,42 4.846,43 1,44 0.893,45 13.555,47 6.775,48 1.098,49 4.292,50 3.825,51 3.825,52 16.184,54 53.427,55 18.834,56 0.172,57 12.074,58 5.4,59 5.769,61 1.455,62 1.75,63 5,64 0.951,66 8.407,67 -0.516,68 1.094,69 6.75}
{0 CHEMBL76676,1 1,2 1,3 3.538,4 7.111,5 7.111,6 3.909,7 1,8 1,9 11.659,10 11.659,11 11.659,12 6.111,13 11.358,14 4.315,15 4.315,16 2.639,17 18.562,18 15.318,21 3.794,22 3.794,23 1,24 42.683,25 1,27 5.794,28 0.301,29 3.315,30 3.315,31 5.315,32 3.315,33 5.396,35 2.699,36 7.143,37 4.238,38 2.088,40 0.836,41 4.456,42 4.456,43 1,44 1.233,45 8.879,46 9.309,47 4.104,48 1.607,49 4.081,50 2.423,51 2.423,52 10.635,54 75.81,55 12.399,56 0.739,57 7.928,58 3.2,59 5.328,60 2,61 0.694,62 1.893,63 6,64 1.263,65 -1.035,66 5.457,67 -0.972,68 1.585,69 5.301}
{0 CHEMBL77502,1 1,2 1,3 3.153,4 7.429,5 7.429,6 3.859,7 1,8 1,9 12.986,10 12.986,11 12.986,12 6.111,13 11.915,14 4.386,15 4.386,16 2.684,17 19.931,18 22.333,20 1,21 4.134,22 4.134,23 1,24 42.683,25 1,27 6.134,28 0.252,29 3.429,30 3.429,31 5.429,32 3.429,33 5.477,35 2.617,36 7.139,37 4.238,38 2.048,40 1.555,41 4.512,42 4.512,43 1,44 1.049,45 8.878,46 9.756,47 4.104,48 1.542,49 4.01,50 2.423,51 2.423,52 10.635,54 111.888,55 12.399,56 0.716,57 7.928,58 1.7,59 5.398,60 4,61 0.63,62 1.852,63 7,64 1.091,66 5.441,67 -1.017,68 1.572,69 5.28}
{0 CHEMBL78442,1 1,2 1,3 3.059,4 6.202,5 6.202,6 3.859,7 1,8 1,9 9.307,10 9.307,11 9.307,12 6.111,13 11.316,14 3.911,15 3.911,16 2.638,17 15.665,18 14.485,21 3.794,22 3.794,23 1,24 42.683,25 1,27 5.794,28 0.317,29 2.943,30 2.943,31 4.943,32 2.943,33 4.981,35 2.617,36 7.139,37 4.238,38 2.036,40 1.027,41 4.318,42 4.318,43 1,44 1.138,45 8.878,46 9.275,47 4.104,48 1.419,49 3.881,50 2.423,51 2.423,52 10.635,54 75.81,55 12.399,56 0.469,57 7.928,58 3.8,59 5.202,60 2,61 0.478,62 1.893,63 6,64 1.229,65 -1.026,66 5.441,67 -0.971,68 1.338,69 7}
{0 CHEMBL78523,1 1,2 1,3 3.068,4 6.185,5 6.185,6 3.909,7 1,8 1,9 9.237,10 9.237,11 9.237,12 6.111,13 11.296,14 3.902,15 3.902,16 2.659,17 15.514,18 12.801,21 3.794,22 3.794,23 1,24 42.683,25 1,27 5.794,28 0.34,29 2.932,30 2.932,31 4.932,32 2.932,33 4.984,35 2.699,36 7.143,37 4.238,38 2.035,40 0.943,41 4.307,42 4.307,43 1,44 0.89,45 8.879,46 9.255,47 4.104,48 1.428,49 3.889,50 2.423,51 2.423,52 10.635,54 75.81,55 12.399,56 0.469,57 7.928,58 4,59 5.179,60 2,61 0.357,62 1.892,63 6,64 1.103,65 -1.07,66 5.457,67 -0.993,68 1.332,69 5.102}
{0 CHEMBL78529,1 1,2 1,3 3.152,4 7.601,5 7.601,6 3.859,7 1,8 1,9 13.75,10 13.75,11 13.75,12 6.111,13 12.161,14 4.438,15 4.438,16 2.651,17 20.703,18 26.323,20 1,21 4.157,22 4.157,23 1,24 42.683,25 1,27 6.157,28 0.241,29 3.48,30 3.48,31 5.48,32 3.48,33 5.511,35 2.617,36 7.139,37 4.238,38 2.053,40 1.501,41 4.555,42 4.555,43 1,44 1.039,45 8.878,46 9.959,47 4.104,48 1.585,49 4.011,50 2.423,51 2.423,52 10.635,54 132.667,55 12.399,56 0.738,57 7.928,58 1.6,59 5.442,60 4,61 0.578,62 1.991,63 7,64 1.147,66 5.441,67 -0.984,68 1.593,69 5.295}
{0 CHEMBL79426,1 1,2 1,3 3.153,4 7.429,5 7.429,6 3.859,7 1,8 1,9 12.986,10 12.986,11 12.986,12 6.111,13 11.915,14 4.386,15 4.386,16 2.684,17 19.931,18 22.333,20 1,21 4.134,22 4.134,23 1,24 42.683,25 1,27 6.134,28 0.252,29 3.429,30 3.429,31 5.429,32 3.429,33 5.477,35 2.617,36 7.139,37 4.238,38 2.048,40 1.555,41 4.512,42 4.512,43 1,44 1.049,45 8.878,46 9.756,47 4.104,48 1.542,49 4.01,50 2.423,51 2.423,52 10.635,54 111.888,55 12.399,56 0.716,57 7.928,58 1.7,59 5.398,60 4,61 0.63,62 1.852,63 7,64 1.091,66 5.441,67 -1.017,68 1.572,69 5.171}
{0 CHEMBL80301,1 1,2 1,3 3.065,4 6.202,5 6.202,6 3.909,7 1,8 1,9 9.308,10 9.308,11 9.308,12 6.111,13 11.316,14 3.919,15 3.919,16 2.638,17 15.667,18 15.041,21 3.794,22 3.794,23 1,24 42.683,25 1,27 5.794,28 0.334,29 2.944,30 2.944,31 4.944,32 2.944,33 5,35 2.699,36 7.143,37 4.238,38 2.04,40 0.965,41 4.319,42 4.319,43 1,44 0.994,45 8.879,46 9.275,47 4.104,48 1.502,49 3.893,50 2.423,51 2.423,52 10.635,54 75.81,55 12.399,56 0.62,57 7.928,58 3.8,59 5.191,60 2,61 0.362,62 1.893,63 6,64 1.232,65 -1.028,66 5.457,67 -0.972,68 1.497,69 5.796}
{0 CHEMBL80364,1 1,2 1,3 3.074,4 6.196,5 6.196,6 3.909,7 1,8 1,9 9.26,10 9.26,11 9.26,12 6.111,13 11.344,14 3.927,15 3.927,16 2.638,17 15.565,18 15.287,21 3.794,22 3.794,23 1,24 42.683,25 1,27 5.794,28 0.346,29 2.949,30 2.949,31 4.949,32 2.949,33 5.008,35 2.699,36 7.143,37 4.238,38 2.071,40 0.925,41 4.317,42 4.317,43 1,44 1.149,45 8.879,46 9.298,47 4.104,48 1.607,49 3.993,50 2.423,51 2.423,52 10.635,54 75.81,55 12.399,56 0.739,57 7.928,58 3.4,59 5.189,60 2,61 0.603,62 1.893,63 6,64 1.253,65 -0.569,66 5.457,67 -0.971,68 1.585,69 5.102}
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{0 CHEMBL80791,1 1,2 1,3 3.794,4 7.118,5 7.118,6 5.607,7 1,8 1,9 11.701,10 11.701,11 11.701,12 9.425,13 11.316,14 4.193,15 4.193,16 5.71,17 18.743,18 11.621,21 4.46,22 4.46,23 1,24 42.683,25 1,27 6.46,28 0.304,29 3.325,30 3.325,31 5.325,32 3.325,33 5.263,35 3.512,36 10.761,37 6.771,38 2.036,40 0.997,41 4.48,42 4.48,43 1,44 0.853,45 13.427,46 9.267,47 5.506,48 1.515,49 4.081,50 3.825,51 3.825,52 16.104,54 75.81,55 18.785,56 0.469,57 12.09,58 3.6,59 5.365,60 2,61 0.363,62 1.893,63 6,64 1.02,65 -1.131,66 8.128,67 -1.02,68 1.41,69 6.301}
{0 CHEMBL80905,1 1,2 1,3 3.794,4 6.455,5 6.455,6 5.795,7 1,8 1,9 10.196,10 10.196,11 10.196,12 9.783,13 11.318,14 3.937,15 3.937,16 6.019,17 16.524,18 11.866,21 4.437,22 4.437,23 1,24 42.683,25 1,27 6.437,28 0.307,29 3.141,30 3.141,31 5.141,32 3.141,33 5.019,35 3.633,36 11.173,37 7.016,38 2.035,40 0.671,41 4.319,42 4.319,43 2,44 0.799,45 13.95,46 9.267,47 5.712,48 1.569,49 4.081,50 4.032,51 4.032,52 16.734,54 75.81,55 19.521,56 0.469,57 12.558,58 3.7,59 5.191,60 2,61 0.374,62 1.892,63 6,64 1.041,65 -1.15,66 8.426,67 -1.028,68 1.431,69 5.102}
{0 CHEMBL81208,1 1,2 1,3 3.152,4 6.32,5 6.32,6 3.859,7 1,8 1,9 9.669,10 9.669,11 9.669,12 6.111,13 11.608,14 4.005,15 4.005,16 2.669,17 16.243,18 26.129,20 1,21 3.796,22 3.796,23 1,24 42.683,25 1,27 5.796,28 0.289,29 3.027,30 3.027,31 5.027,32 3.027,33 5.077,35 2.617,36 7.139,37 4.238,38 2.04,40 1.123,41 4.4,42 4.4,43 1,44 1.04,45 8.878,46 9.508,47 4.104,48 1.577,49 3.96,50 2.423,51 2.423,52 10.635,54 132.667,55 12.399,56 0.731,57 7.928,58 1.7,59 5.286,60 4,61 0.583,62 1.991,63 7,64 1.123,65 -0.965,66 5.441,67 -1.003,68 1.58,69 5.152}
{0 CHEMBL81248,1 1,2 1,3 3.152,4 7.429,5 7.429,6 3.859,7 1,8 1,9 12.986,10 12.986,11 12.986,12 6.111,13 11.929,14 4.386,15 4.386,16 2.686,17 19.931,18 26.168,20 1,21 4.134,22 4.134,23 1,24 42.683,25 1,27 6.134,28 0.249,29 3.429,30 3.429,31 5.429,32 3.429,33 5.459,35 2.617,36 7.139,37 4.238,38 2.048,40 1.532,41 4.512,42 4.512,43 1,44 1.02,45 8.878,46 9.768,47 4.104,48 1.581,49 4.01,50 2.423,51 2.423,52 10.635,54 132.667,55 12.399,56 0.734,57 7.928,58 1.6,59 5.398,60 4,61 0.636,62 1.991,63 7,64 1.135,66 5.441,67 -1.019,68 1.587,69 5.258}
{0 CHEMBL81592,1 1,2 1,3 3.152,4 7.429,5 7.429,6 3.859,7 1,8 1,9 12.986,10 12.986,11 12.986,12 6.111,13 11.929,14 4.386,15 4.386,16 2.686,17 19.931,18 26.194,20 1,21 4.134,22 4.134,23 1,24 42.683,25 1,27 6.134,28 0.249,29 3.429,30 3.429,31 5.429,32 3.429,33 5.478,35 2.617,36 7.139,37 4.238,38 2.059,40 1.535,41 4.512,42 4.512,44 0.995,45 8.878,46 9.768,47 4.104,48 1.581,49 4.01,50 2.423,51 2.423,52 10.635,54 132.667,55 12.399,56 0.734,57 7.928,58 1.6,59 5.398,60 4,61 0.751,62 1.975,63 7,64 1.135,66 5.441,67 -1.019,68 1.587,69 5.352}
{0 CHEMBL82034,1 1,2 1,3 3.152,4 7.429,5 7.429,6 3.859,7 1,8 1,9 12.986,10 12.986,11 12.986,12 6.111,13 11.929,14 4.386,15 4.386,16 2.686,17 19.931,18 26.168,20 1,21 4.134,22 4.134,23 1,24 42.683,25 1,27 6.134,28 0.249,29 3.429,30 3.429,31 5.429,32 3.429,33 5.459,35 2.617,36 7.139,37 4.238,38 2.048,40 1.532,41 4.512,42 4.512,43 1,44 1.02,45 8.878,46 9.768,47 4.104,48 1.581,49 4.01,50 2.423,51 2.423,52 10.635,54 132.667,55 12.399,56 0.734,57 7.928,58 1.6,59 5.398,60 4,61 0.636,62 1.991,63 7,64 1.135,66 5.441,67 -1.019,68 1.587,69 5.148}
{0 CHEMBL82193,1 1,2 1,3 3.152,4 7.608,5 7.608,6 3.859,7 1,8 1,9 13.813,10 13.813,11 13.813,12 6.111,13 12.436,14 4.444,15 4.444,16 2.622,17 20.771,18 26.523,20 1,21 4.159,22 4.159,23 1,24 42.683,25 1,27 6.159,28 0.228,29 3.485,30 3.485,31 5.485,32 3.485,33 5.517,35 2.617,36 7.139,37 4.238,38 2.062,40 1.46,41 4.559,42 4.559,43 1,44 1.02,45 8.878,46 10.186,47 4.104,48 1.672,49 4.012,50 2.423,51 2.423,52 10.635,54 132.667,55 12.399,56 0.887,57 7.928,58 1.4,59 5.449,60 5,61 0.547,62 1.991,63 7,64 1.168,66 5.441,67 -0.956,68 1.672,69 5.141}
{0 CHEMBL82602,1 1,2 1,3 3.153,4 7.429,5 7.429,6 3.859,7 1,8 1,9 12.986,10 12.986,11 12.986,12 6.111,13 11.915,14 4.386,15 4.386,16 2.684,17 19.931,18 22.333,20 1,21 4.134,22 4.134,23 1,24 42.683,25 1,27 6.134,28 0.252,29 3.429,30 3.429,31 5.429,32 3.429,33 5.477,35 2.617,36 7.139,37 4.238,38 2.048,40 1.555,41 4.512,42 4.512,43 1,44 1.049,45 8.878,46 9.756,47 4.104,48 1.542,49 4.01,50 2.423,51 2.423,52 10.635,54 111.888,55 12.399,56 0.716,57 7.928,58 1.7,59 5.398,60 4,61 0.63,62 1.852,63 7,64 1.091,66 5.441,67 -1.017,68 1.572,69 5.289}
{0 CHEMBL86658,1 1,2 1,3 3.37,4 7.044,5 7.044,6 3.859,7 1,8 1,9 12.133,10 12.133,11 12.133,12 6.111,13 11.249,14 4.31,15 4.31,16 2.608,17 19.331,18 24.389,21 3.788,22 3.788,23 1,24 42.683,25 1,27 5.788,28 0.309,29 3.341,30 3.341,31 5.341,32 3.341,33 5.391,35 2.617,36 7.139,37 4.238,38 2.073,40 0.921,41 4.814,42 4.814,43 1,44 0.812,45 8.878,46 9.225,47 4.104,48 1.587,49 3.852,50 2.423,51 2.423,52 10.635,53 4.904,54 113.715,55 12.399,56 0.81,57 7.928,58 1.8,59 5.699,60 2,61 0.285,62 1.995,63 2,64 1.181,65 -0.822,66 5.441,67 -0.941,68 1.594,69 5.523}
{0 CHEMBL86688,1 1,2 1,3 3.072,4 6.499,5 6.499,6 3.909,7 1,8 1,9 10.178,10 10.178,11 10.178,12 6.111,13 11.26,14 4.011,15 4.011,16 2.617,17 16.918,18 25.886,21 3.788,22 3.788,23 1,24 42.683,25 1,27 5.788,28 0.255,29 3.014,30 3.014,31 5.014,32 3.014,33 5.067,35 2.699,36 7.143,37 4.238,38 2.077,40 0.978,41 4.378,42 4.378,43 1,44 0.903,45 8.879,46 9.233,47 4.104,48 1.57,49 3.87,50 2.423,51 2.423,52 10.635,54 132.667,55 12.399,56 0.778,57 7.928,59 5.227,60 2,61 0.315,62 1.927,63 5,64 1.034,65 -0.834,66 5.457,67 0.152,68 1.577,69 5.469}
{0 CHEMBL86817,1 1,2 1,3 3.076,4 6.506,5 6.506,6 3.909,7 1,8 1,9 10.2,10 10.2,11 10.2,12 6.111,13 11.391,14 4.045,15 4.045,16 2.63,17 16.981,18 34.926,21 3.788,22 3.788,23 1,24 42.683,25 1,27 5.788,28 0.289,29 3.046,30 3.046,31 5.046,32 3.046,33 5.103,35 2.699,36 7.143,37 4.238,38 2.087,40 0.968,41 4.414,42 4.414,43 1,44 0.847,45 8.879,46 9.337,47 4.104,48 1.593,49 4.146,50 2.423,51 2.423,52 10.635,54 184.575,55 12.399,56 0.802,57 7.928,59 5.262,60 2,61 0.35,62 1.963,63 8,64 1.041,65 -0.861,66 5.457,67 0.073,68 1.607,69 6}
{0 CHEMBL87307,1 1,2 1,3 3.089,4 6.501,5 6.501,6 3.909,7 1,8 1,9 10.183,10 10.183,11 10.183,12 6.111,13 11.276,14 4.017,15 4.017,16 2.62,17 16.928,18 23.837,21 3.788,22 3.788,23 1,24 42.683,25 1,27 5.788,28 0.265,29 3.021,30 3.021,31 5.021,32 3.021,33 5.073,35 2.699,36 7.143,37 4.238,38 2.06,40 0.993,41 4.387,42 4.387,43 1,44 0.877,45 8.879,46 9.245,47 4.104,48 1.566,49 3.929,50 2.423,51 2.423,52 10.635,54 123.191,55 12.399,56 0.778,57 7.928,59 5.235,60 2,61 0.328,62 1.896,63 6,64 1.013,65 -0.839,66 5.457,67 0.133,68 1.574,69 6.333}
{0 CHEMBL87380,1 1,2 1,3 3.065,4 6.501,5 6.501,6 3.909,7 1,8 1,9 10.183,10 10.183,11 10.183,12 6.111,13 11.281,14 4.02,15 4.02,16 2.614,17 16.928,18 24.487,21 3.788,22 3.788,23 1,24 42.683,25 1,27 5.788,28 0.293,29 3.021,30 3.021,31 5.021,32 3.021,33 5.076,35 2.699,36 7.143,37 4.238,38 2.103,40 0.921,41 4.387,42 4.387,43 1,44 0.97,45 8.879,46 9.25,47 4.104,48 1.589,49 3.929,50 2.423,51 2.423,52 10.635,54 123.191,55 12.399,56 0.808,57 7.928,59 5.235,60 2,61 0.289,62 1.998,63 6,64 1.087,65 -0.832,66 5.457,67 0.18,68 1.598,69 5.699}
{0 CHEMBL87928,1 1,2 1,3 3.064,4 6.502,5 6.502,6 3.909,7 1,8 1,9 10.187,10 10.187,11 10.187,12 6.111,13 11.317,14 4.029,15 4.029,16 2.622,17 16.946,18 31.44,21 3.788,22 3.788,23 1,24 42.683,25 1,27 5.788,28 0.27,29 3.029,30 3.029,31 5.029,32 3.029,33 5.085,35 2.699,36 7.143,37 4.238,38 2.088,40 0.966,41 4.396,42 4.396,43 1,44 0.884,45 8.879,46 9.279,47 4.104,48 1.588,49 4.077,50 2.423,51 2.423,52 10.635,54 163.359,55 12.399,56 0.791,57 7.928,59 5.244,60 2,61 0.327,62 1.962,63 6,64 1.048,65 -0.845,66 5.457,67 0.122,68 1.603,69 6.222}
{0 CHEMBL89152,1 1,2 1,3 3.072,4 6.499,5 6.499,6 3.909,7 1,8 1,9 10.178,10 10.178,11 10.178,12 6.111,13 11.26,14 4.011,15 4.011,16 2.617,17 16.918,18 25.886,21 3.788,22 3.788,23 1,24 42.683,25 1,27 5.788,28 0.255,29 3.014,30 3.014,31 5.014,32 3.014,33 5.067,35 2.699,36 7.143,37 4.238,38 2.077,40 0.978,41 4.378,42 4.378,43 1,44 0.903,45 8.879,46 9.233,47 4.104,48 1.57,49 3.87,50 2.423,51 2.423,52 10.635,54 132.667,55 12.399,56 0.778,57 7.928,59 5.227,60 2,61 0.315,62 1.927,63 5,64 1.034,65 -0.834,66 5.457,67 0.152,68 1.577,69 6.046}
{0 CHEMBL89996,1 1,2 1,3 3.064,4 6.502,5 6.502,6 3.909,7 1,8 1,9 10.187,10 10.187,11 10.187,12 6.111,13 11.317,14 4.029,15 4.029,16 2.622,17 16.946,18 31.44,21 3.788,22 3.788,23 1,24 42.683,25 1,27 5.788,28 0.27,29 3.029,30 3.029,31 5.029,32 3.029,33 5.085,35 2.699,36 7.143,37 4.238,38 2.088,40 0.966,41 4.396,42 4.396,43 1,44 0.884,45 8.879,46 9.279,47 4.104,48 1.588,49 4.077,50 2.423,51 2.423,52 10.635,54 163.359,55 12.399,56 0.791,57 7.928,59 5.244,60 2,61 0.327,62 1.962,63 6,64 1.048,65 -0.845,66 5.457,67 0.122,68 1.603,69 5.699}
{0 CHEMBL92130,3 3.784,4 6.5,5 6.5,6 6.723,9 10.163,10 10.163,11 10.163,12 9.91,13 23.363,14 4.02,15 4.02,16 1.99,17 16.961,18 20.636,21 4.875,22 4.875,24 18.011,27 6.875,28 0.29,29 3.069,30 3.069,31 5.069,32 3.069,33 5.131,35 4.056,36 12.677,37 6.639,38 2.046,39 1,40 0.719,41 4.298,42 4.298,43 1,44 0.959,45 15.686,47 8.891,48 1.627,49 4.037,50 4.628,51 4.628,52 18.702,54 104.239,55 21.724,56 0.662,57 13.141,58 1.5,59 5.226,61 0.823,62 1.963,63 7,64 1.164,65 -0.53,66 9.679,67 -0.616,68 1.568,69 5.262}
{0 CHEMBL94306,3 3.784,4 6.5,5 6.5,6 6.722,9 10.163,10 10.163,11 10.163,12 9.91,13 23.327,14 4.02,15 4.02,16 1.986,17 16.961,18 22.937,21 4.875,22 4.875,24 18.011,27 6.875,28 0.274,29 3.069,30 3.069,31 5.069,32 3.069,33 5.13,35 4.03,36 12.677,37 6.639,38 2.048,39 1,40 0.694,41 4.298,42 4.298,43 1,44 0.976,45 15.686,47 8.891,48 1.627,49 3.921,50 4.628,51 4.628,52 18.702,54 113.715,55 21.724,56 0.662,57 13.141,58 1.6,59 5.226,61 0.795,62 1.984,63 6,64 1.109,65 -0.523,66 9.679,67 -0.607,68 1.568,69 5.262}
{0 CHEMBL94397,3 3.784,4 6.5,5 6.5,6 6.722,8 1,9 10.163,10 10.163,11 10.163,12 9.91,13 23.333,14 4.02,15 4.02,16 1.995,17 16.961,18 19.627,20 2,21 4.875,22 4.875,23 1,24 60.694,27 6.875,28 0.299,29 3.069,30 3.069,31 5.069,32 3.069,33 5.13,34 1,35 4.03,36 12.677,37 6.639,38 2.046,39 1,40 0.72,41 4.298,42 4.298,43 1,44 0.986,45 15.686,46 9.426,47 8.891,48 1.627,49 4.016,50 4.628,51 4.628,52 18.702,54 104.239,55 21.724,56 0.662,57 13.141,58 1.6,59 5.226,61 0.846,62 1.959,63 7,64 1.096,65 -0.535,66 9.679,67 -0.626,68 1.568,69 5.472}
{0 CHEMBL94496,3 3.784,4 6.5,5 6.5,6 6.722,9 10.163,10 10.163,11 10.163,12 9.91,13 23.392,14 4.02,15 4.02,16 1.985,17 16.961,18 21.51,21 4.875,22 4.875,24 18.011,27 6.875,28 0.307,29 3.069,30 3.069,31 5.069,32 3.069,33 5.131,35 4.03,36 12.677,37 6.639,38 2.071,39 1,40 0.664,41 4.298,42 4.298,43 1,44 0.922,45 15.686,47 8.891,48 1.671,49 4.104,50 4.628,51 4.628,52 18.702,54 104.239,55 21.724,56 0.878,57 13.141,58 1.4,59 5.226,61 0.817,62 2.004,63 7,64 1.143,65 -0.036,66 9.679,67 -0.607,68 1.706,69 4.301}
{0 CHEMBL94716,3 3.784,4 7.111,5 7.111,6 6.722,9 11.657,10 11.657,11 11.657,12 9.91,13 23.413,14 4.313,15 4.313,16 1.986,17 18.536,18 21.544,21 4.875,22 4.875,24 18.011,27 6.875,28 0.272,29 3.314,30 3.314,31 5.314,32 3.314,33 5.423,35 4.03,36 12.677,37 6.639,38 2.086,39 1,40 0.612,41 4.44,42 4.44,43 1,44 0.897,45 15.686,47 8.891,48 1.693,49 4.276,50 4.628,51 4.628,52 18.702,54 104.239,55 21.724,56 0.901,57 13.141,58 1.4,59 5.369,61 0.823,62 2.004,63 7,64 1.153,65 -0.527,66 9.679,67 -0.608,68 1.727,69 4.301}
{0 CHEMBL96107,3 3.784,4 6.5,5 6.5,6 6.722,9 10.163,10 10.163,11 10.163,12 9.91,13 23.188,14 4.02,15 4.02,16 1.988,17 16.961,18 24.334,21 4.875,22 4.875,24 18.011,27 6.875,28 0.268,29 3.069,30 3.069,31 5.069,32 3.069,33 5.13,35 4.03,36 12.677,37 6.639,38 2.018,39 1,40 0.714,41 4.298,42 4.298,43 1,44 0.926,45 15.686,47 8.891,48 1.36,49 3.899,50 4.628,51 4.628,52 18.702,54 123.191,55 21.724,56 0.45,57 13.141,58 1.9,59 5.222,61 1.033,62 1.949,63 5,64 1.068,65 -0.52,66 9.679,67 -0.612,68 1.37,69 6.721}
{0 CHEMBL96143,3 3.784,4 6.5,5 6.5,6 6.722,9 10.163,10 10.163,11 10.163,12 9.91,13 23.35,14 4.02,15 4.02,16 1.999,17 16.961,18 17.627,21 4.875,22 4.875,24 18.011,27 6.875,28 0.32,29 3.069,30 3.069,31 5.069,32 3.069,33 5.131,35 4.03,36 12.677,37 6.639,38 2.048,39 1,40 0.962,41 4.298,42 4.298,43 1,44 0.937,45 15.686,47 8.891,48 1.627,49 4.199,50 4.628,51 4.628,52 18.702,54 94.762,55 21.724,56 0.662,57 13.141,58 1.6,59 5.226,61 0.836,62 1.985,63 8,64 1.035,65 -0.541,66 9.679,67 -0.635,68 1.568,69 4.301}
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{0 CHEMBL96758,3 3.784,4 6.5,5 6.5,6 6.722,9 10.163,10 10.163,11 10.163,12 9.91,13 23.444,14 4.02,15 4.02,16 1.988,17 16.961,18 31.649,21 4.875,22 4.875,24 18.011,27 6.875,28 0.284,29 3.069,30 3.069,31 5.069,32 3.069,33 5.131,35 4.03,36 12.677,37 6.639,38 2.087,39 1,40 0.689,41 4.298,42 4.298,43 1,44 0.938,45 15.686,47 8.891,48 1.709,49 4.232,50 4.628,51 4.628,52 18.702,54 151.62,55 21.724,56 0.918,57 13.141,58 1.4,59 5.226,61 0.858,62 2.004,63 8,64 1.052,65 -0.531,66 9.679,67 -0.612,68 1.742,69 4.301}
{0 CHEMBL97529,3 3.784,4 6.5,5 6.5,6 6.722,9 10.163,10 10.163,11 10.163,12 9.91,13 23.436,14 4.02,15 4.02,16 1.983,17 16.961,18 21.935,21 4.875,22 4.875,24 18.011,27 6.875,28 0.291,29 3.069,30 3.069,31 5.069,32 3.069,33 5.131,35 4.03,36 12.677,37 6.639,38 2.058,39 1,40 0.647,41 4.298,42 4.298,43 1,44 0.927,45 15.686,47 8.891,48 1.725,49 4.138,50 4.628,51 4.628,52 18.702,54 104.239,55 21.724,56 0.969,57 13.141,58 1.4,59 5.226,61 0.909,62 2.003,63 7,64 1.121,65 0.179,66 9.679,67 -0.601,68 1.755,69 4.301}
{0 CHEMBL981,1 1,2 1,3 3.582,4 7.224,5 7.224,6 3.836,7 1,8 1,9 12.052,10 12.052,11 12.052,12 6.111,13 23.308,14 4.304,15 4.304,16 2.728,17 18.94,18 12.977,20 1,21 4.099,22 4.099,23 1,24 42.683,25 1,27 6.099,28 0.284,29 3.352,30 3.352,31 5.352,32 3.352,33 5.351,34 1,35 2.502,36 7.138,37 4.238,38 2.039,40 1.701,41 4.442,42 4.442,44 0.853,45 8.878,46 9.027,47 4.104,48 1.239,49 3.924,50 2.423,51 2.423,52 10.635,54 75.81,55 12.399,56 0.218,57 7.928,59 5.267,60 2,61 0.996,62 1.85,63 4,64 1.028,66 5.437,67 -1.2,68 1.206,69 4}