@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL3377

@attribute molecule_id {CHEMBL100637,CHEMBL100677,CHEMBL100991,CHEMBL101842,CHEMBL111857,CHEMBL112356,CHEMBL112581,CHEMBL113102,CHEMBL113191,CHEMBL1161504,CHEMBL118070,CHEMBL119140,CHEMBL1229,CHEMBL136111,CHEMBL137054,CHEMBL139367,CHEMBL139978,CHEMBL162413,CHEMBL163966,CHEMBL164003,CHEMBL164582,CHEMBL167253,CHEMBL167390,CHEMBL167805,CHEMBL167936,CHEMBL168147,CHEMBL182628,CHEMBL183817,CHEMBL190819,CHEMBL191512,CHEMBL192279,CHEMBL192497,CHEMBL19309,CHEMBL195156,CHEMBL195288,CHEMBL195823,CHEMBL195871,CHEMBL2114179,CHEMBL222813,CHEMBL22349,CHEMBL22350,CHEMBL22803,CHEMBL22808,CHEMBL22943,CHEMBL23009,CHEMBL251786,CHEMBL251787,CHEMBL25333,CHEMBL253409,CHEMBL253410,CHEMBL253621,CHEMBL253625,CHEMBL253839,CHEMBL254679,CHEMBL254883,CHEMBL254884,CHEMBL254885,CHEMBL25495,CHEMBL25549,CHEMBL278852,CHEMBL280383,CHEMBL282465,CHEMBL292198,CHEMBL292229,CHEMBL292233,CHEMBL292393,CHEMBL292620,CHEMBL292853,CHEMBL293591,CHEMBL294169,CHEMBL294188,CHEMBL294390,CHEMBL294427,CHEMBL294700,CHEMBL295490,CHEMBL299899,CHEMBL299934,CHEMBL300199,CHEMBL300461,CHEMBL300502,CHEMBL301233,CHEMBL301435,CHEMBL301478,CHEMBL301664,CHEMBL302133,CHEMBL303175,CHEMBL308497,CHEMBL308831,CHEMBL309419,CHEMBL309834,CHEMBL310004,CHEMBL311273,CHEMBL311288,CHEMBL315261,CHEMBL317571,CHEMBL317645,CHEMBL318452,CHEMBL318671,CHEMBL320496,CHEMBL320788,CHEMBL320978,CHEMBL321962,CHEMBL331151,CHEMBL335808,CHEMBL346767,CHEMBL348066,CHEMBL348995,CHEMBL349042,CHEMBL349658,CHEMBL350207,CHEMBL350298,CHEMBL350474,CHEMBL352318,CHEMBL352694,CHEMBL353063,CHEMBL353683,CHEMBL353758,CHEMBL354491,CHEMBL354583,CHEMBL354666,CHEMBL362993,CHEMBL363635,CHEMBL364258,CHEMBL365976,CHEMBL366026,CHEMBL369125,CHEMBL370047,CHEMBL370760,CHEMBL373336,CHEMBL382322,CHEMBL398738,CHEMBL398739,CHEMBL398740,CHEMBL398862,CHEMBL399060,CHEMBL399061,CHEMBL399062,CHEMBL399943,CHEMBL400133,CHEMBL400495,CHEMBL400552,CHEMBL401373,CHEMBL406252,CHEMBL411601,CHEMBL418456,CHEMBL419710,CHEMBL420120,CHEMBL422016,CHEMBL422026,CHEMBL422357,CHEMBL423292,CHEMBL424528,CHEMBL424821,CHEMBL426810,CHEMBL428241,CHEMBL429031,CHEMBL430814,CHEMBL430869,CHEMBL433269,CHEMBL436250,CHEMBL440151,CHEMBL441790,CHEMBL442774,CHEMBL445672,CHEMBL473062,CHEMBL50254,CHEMBL51311,CHEMBL51451,CHEMBL51955,CHEMBL52270,CHEMBL54149,CHEMBL55440,CHEMBL56273,CHEMBL56485,CHEMBL56700,CHEMBL57021,CHEMBL57142,CHEMBL57257,CHEMBL57348,CHEMBL57350,CHEMBL57426,CHEMBL57520,CHEMBL57726,CHEMBL57800,CHEMBL57865,CHEMBL58028,CHEMBL58538,CHEMBL58569,CHEMBL59528,CHEMBL60685,CHEMBL60856,CHEMBL60863,CHEMBL674,CHEMBL70936,CHEMBL71078,CHEMBL73669,CHEMBL77627,CHEMBL79499,CHEMBL79908,CHEMBL81286,CHEMBL81637,CHEMBL81777,CHEMBL82771,CHEMBL96712,CHEMBL98262,CHEMBL98838,CHEMBL98906,CHEMBL99224}
@attribute P_VSA_LogP_4 numeric
@attribute GATS5e numeric
@attribute Eig01_AEA.dm. numeric
@attribute SpMax_AEA.dm. numeric
@attribute SdssC numeric
@attribute ATSC2e numeric
@attribute SdsCH numeric
@attribute CATS2D_06_AA numeric
@attribute ZM2MulPer numeric
@attribute ZM2Kup numeric
@attribute MAXDP numeric
@attribute Eig03_EA.dm. numeric
@attribute NdO numeric
@attribute O.058 numeric
@attribute SdO numeric
@attribute SpMax3_Bh.s. numeric
@attribute ZM1MulPer numeric
@attribute ZM1V numeric
@attribute Eig03_AEA.dm. numeric
@attribute Eig04_EA.dm. numeric
@attribute Eig05_AEA.dm. numeric
@attribute ZM1Kup numeric
@attribute nHAcc numeric
@attribute nHet numeric
@attribute ZM1Per numeric
@attribute DELS numeric
@attribute TPSA.Tot. numeric
@attribute N.072 numeric
@attribute ZM2V numeric
@attribute ATSC6e numeric
@attribute ZM2Per numeric
@attribute SM02_EA.dm. numeric
@attribute SpAD_EA.dm. numeric
@attribute ATSC5s numeric
@attribute SpMax5_Bh.s. numeric
@attribute SpMax2_Bh.s. numeric
@attribute TPSA.NO. numeric
@attribute Eig02_EA.bo. numeric
@attribute SM12_AEA.ri. numeric
@attribute P_VSA_p_2 numeric
@attribute P_VSA_v_2 numeric
@attribute SAacc numeric
@attribute ATSC5e numeric
@attribute SM03_EA.bo. numeric
@attribute C.040 numeric
@attribute Eig07_EA.dm. numeric
@attribute ATSC6s numeric
@attribute Eig04_AEA.dm. numeric
@attribute SM06_EA.bo. numeric
@attribute Eig05_EA.dm. numeric
@attribute SM03_EA.ri. numeric
@attribute SpMax6_Bh.s. numeric
@attribute Eig03_EA.bo. numeric
@attribute SM13_AEA.ri. numeric
@attribute Eta_F numeric
@attribute AAC numeric
@attribute IC0 numeric
@attribute P_VSA_s_6 numeric
@attribute Eig03_AEA.bo. numeric
@attribute ATSC3s numeric
@attribute SM07_EA.bo. numeric
@attribute C.016 numeric
@attribute NdssC numeric
@attribute Eig02_AEA.bo. numeric
@attribute pXC50 numeric

@data
{1 144.681,2 1.095,3 3.852,4 3.852,5 -2.672,6 0.497,7 1.155,8 2,9 280.92,10 286.317,11 4.609,12 1.437,13 3,14 3,15 33.465,16 7.427,17 341.481,18 312,19 3.523,20 0.892,21 2.307,22 373.07,23 8,24 8,25 429.91,26 37.114,27 130.75,28 2,29 262,30 1.215,31 407.49,32 3.016,33 14.155,34 151.1,35 5.028,36 7.431,37 130.75,38 3.119,39 3.119,40 198.037,41 198.037,42 198.037,43 1.003,44 4.205,45 3,46 0.141,47 187.081,48 2.989,49 8.307,50 0.522,51 3.692,52 4.57,53 2.747,54 2.747,55 15.672,56 1.766,57 1.766,58 162.015,59 3.597,60 111.351,61 9.274,62 1,63 4,64 3.911,65 4.097}
{0 CHEMBL100677,1 144.681,2 1.178,3 3.911,4 3.911,5 -2.559,6 0.516,7 1.169,8 4,9 294.462,10 297.021,11 4.977,12 1.437,13 3,14 3,15 34.01,16 7.425,17 352.887,18 322,19 3.53,20 0.933,21 2.331,22 384.382,23 8,24 8,25 444.63,26 38.646,27 121.96,28 2,29 272,30 1.23,31 425.45,32 3.047,33 15.025,34 147.905,35 5.028,36 7.431,37 121.96,38 3.204,39 3.204,40 183.15,41 183.15,42 183.15,43 1.038,44 4.29,45 3,46 0.149,47 179.099,48 3.02,49 8.38,50 0.522,51 3.795,52 4.569,53 2.801,54 2.801,55 16.95,56 1.728,57 1.728,58 162.015,59 3.672,60 95.436,61 9.364,62 1,63 4,64 3.969,65 4.215}
{0 CHEMBL100991,1 144.681,2 1.094,3 3.913,4 3.913,5 -3.098,6 0.587,7 1.141,8 4,9 348.39,10 350.542,11 5.208,12 1.437,13 3,14 3,15 34.701,16 7.425,17 407.802,18 372,19 3.531,20 1.228,21 2.718,22 439.339,23 10,24 10,25 516.96,26 44.005,27 160.34,28 2,29 322,30 1.32,31 501.24,32 3.159,33 17.43,34 144.205,35 5.323,36 7.431,37 160.34,38 3.205,39 3.205,40 232.833,41 232.833,42 232.833,43 1.117,44 4.443,45 3,46 0.496,47 177.187,48 3.147,49 8.57,50 0.933,51 3.889,52 4.667,53 3.014,54 3.014,55 21.601,56 1.773,57 1.773,58 211.698,59 3.798,60 104.217,61 9.513,62 1,63 5,64 3.97,65 4.959}
{0 CHEMBL101842,1 144.681,2 1.221,3 3.924,4 3.924,5 -2.375,6 0.419,7 1.211,8 4,9 318.061,10 323.726,11 5.874,12 1.437,13 3,14 3,15 35.502,16 7.425,17 372.529,18 342,19 3.531,20 0.933,21 2.425,22 404.382,23 8,24 8,25 476.21,26 43.198,27 121.96,28 2,29 298,30 1.383,31 464.78,32 3.047,33 15.025,34 156.823,35 5.028,36 7.431,37 121.96,38 3.233,39 3.233,40 183.15,41 183.15,42 183.15,43 0.986,44 4.29,45 3,46 0.149,47 211.941,48 3.035,49 8.427,50 0.522,51 3.795,52 4.568,53 2.821,54 2.821,55 18.749,56 1.579,57 1.579,58 162.015,59 3.704,60 104.486,61 9.394,62 1,63 4,64 3.997,65 6.011}
{0 CHEMBL111857,1 98.588,2 0.817,3 3.642,4 3.642,5 -0.807,6 0.27,7 1.655,9 218.361,10 218.317,11 4.161,12 0.657,13 2,14 2,15 22.17,16 6.351,17 258.366,18 236,19 3.132,20 0.149,21 2.097,22 273.599,23 6,24 6,25 327.45,26 28.339,27 104.45,28 1,29 204,30 0.636,31 313,32 2.488,33 8.3,34 106.992,35 4.418,36 7.43,37 104.45,38 2.932,39 2.932,40 161.892,41 161.892,42 161.892,43 0.64,44 4.007,45 2,47 103.277,48 2.33,49 8.121,51 3.568,52 4.117,53 2.545,54 2.545,55 11.81,56 1.573,57 1.573,58 125.87,59 3.43,60 63.76,61 9.049,62 1,63 3,64 3.811,65 6.62}
{0 CHEMBL112356,1 98.588,2 0.652,3 3.657,4 3.657,5 -0.757,6 0.286,7 1.741,9 246.047,10 244.373,11 4.428,12 0.916,13 2,14 2,15 22.704,16 6.351,17 279.673,18 256,19 3.326,20 0.172,21 2.11,22 294.911,23 6,24 6,25 358.87,26 29.563,27 95.66,28 1,29 229,30 0.654,31 353.96,32 2.54,33 9.163,34 110.312,35 4.419,36 7.43,37 95.66,38 3.013,39 3.013,40 147.005,41 147.005,42 147.005,43 0.691,44 4.205,45 2,47 109.342,48 2.778,49 8.272,50 0.149,51 3.811,52 4.177,53 2.737,54 2.737,55 13.725,56 1.491,57 1.491,58 125.87,59 3.659,60 57.094,61 9.217,62 1,63 3,64 3.895,65 7.222}
{0 CHEMBL112581,1 128.437,2 0.842,3 3.663,4 3.663,5 -1.415,6 0.354,7 1.444,9 256.764,10 258.517,11 4.453,12 1.437,13 3,14 3,15 33.616,16 7.427,17 311.958,18 284,19 3.533,20 0.561,21 2.237,22 333.334,23 7,24 7,25 391.49,26 35.678,27 121.52,28 2,29 240,30 0.829,31 367.08,32 2.877,33 11.926,34 131.45,35 5.006,36 7.431,37 121.52,38 2.973,39 2.973,40 187.037,41 187.037,42 187.037,43 0.793,44 4.205,45 3,47 140.521,48 3.08,49 8.262,50 0.149,51 3.736,52 4.361,53 2.782,54 2.782,55 14.638,56 1.656,57 1.656,58 151.015,59 3.622,60 91.939,61 9.193,62 1,63 4,64 3.832,65 6.301}
{0 CHEMBL113102,1 98.588,2 0.746,3 3.654,4 3.654,5 -0.73,6 0.283,7 1.755,9 240.37,10 240.373,11 4.421,12 0.916,13 2,14 2,15 22.691,16 6.351,17 276.945,18 254,19 3.281,20 0.172,21 2.097,22 292.911,23 6,24 6,25 354.99,26 29.566,27 95.66,28 1,29 225,30 0.604,31 346.79,32 2.54,33 9.163,34 102.696,35 4.396,36 7.43,37 95.66,38 2.981,39 2.981,40 147.005,41 147.005,42 147.005,43 0.694,44 4.111,45 2,47 94.945,48 2.649,49 8.216,50 0.149,51 3.684,52 4.15,53 2.646,54 2.646,55 13.337,56 1.491,57 1.491,58 125.87,59 3.539,60 56.334,61 9.148,62 1,63 3,64 3.857,65 6.757}
{0 CHEMBL113191,1 98.588,2 0.8,3 3.653,4 3.653,5 -0.807,6 0.269,7 1.72,9 300.461,10 295.021,11 4.498,12 0.916,13 2,14 2,15 22.845,16 6.351,17 332.394,18 306,19 3.263,20 0.172,21 2.552,22 344.911,23 6,24 6,25 431.48,26 29.68,27 95.66,28 1,29 280,30 0.576,31 429.39,32 2.54,33 9.163,34 106.76,35 4.753,36 7.43,37 95.66,38 3.444,39 3.444,40 147.005,41 147.005,42 147.005,43 0.691,44 4.311,45 2,47 99.196,48 2.747,49 8.731,50 0.149,51 3.825,52 4.385,53 2.971,54 2.971,55 20.178,56 1.52,57 1.52,58 125.87,59 3.839,60 57.864,61 9.459,62 1,63 3,64 3.906,65 6.248}
{0 CHEMBL1161504,1 144.681,2 1.28,3 3.948,4 3.948,5 -2.477,6 0.515,7 1.198,8 4,9 352.736,10 360.075,11 5.859,12 1.437,13 3,14 3,15 35.431,16 7.425,17 395.704,18 364,19 3.533,20 0.892,21 2.822,22 430.027,23 9,24 9,25 512.77,26 42.839,27 125.2,28 2,29 330,30 1.514,31 516.96,32 3.032,33 14.955,34 186.724,35 5.028,36 7.431,37 125.2,38 3.33,39 3.33,40 186.03,41 186.03,42 186.03,43 1.213,44 4.443,45 3,46 0.149,47 197.875,48 3.111,49 8.54,50 0.522,51 4.012,52 4.572,53 2.893,54 2.893,55 19.299,56 1.691,57 1.691,58 162.015,59 3.796,60 100.076,61 9.53,62 1,63 4,64 4.114,65 4.793}
{0 CHEMBL118070,1 98.588,2 0.861,3 3.736,4 3.736,5 -1.035,6 0.342,8 1,9 221.529,10 222.148,11 3.918,12 1.2,13 2,14 2,15 21.75,16 6.351,17 268.883,18 244,19 3.07,20 0.149,21 1.799,22 284.223,23 7,24 7,25 335.93,26 29.031,27 130.8,28 1,29 206,30 0.628,31 311.02,32 2.895,33 11.452,34 89.886,35 4.659,36 7.43,37 130.8,38 2.936,39 2.936,40 193.564,41 193.564,42 193.564,43 0.515,44 4.007,45 2,47 99.134,48 2.585,49 7.926,50 0.129,51 3.556,52 4.349,53 2.721,54 2.721,55 11.147,56 1.671,57 1.671,58 175.553,59 3.561,60 86.792,61 8.768,63 3,64 3.73,65 4.573}
{0 CHEMBL119140,1 98.588,2 0.88,3 3.739,4 3.739,5 -0.975,6 0.308,8 1,9 245.247,10 245.43,11 4.406,12 1.2,13 2,14 2,15 22.645,16 6.351,17 287.823,18 262,19 3.13,20 0.149,21 2.199,22 302.223,23 7,24 7,25 364.27,26 32.935,27 130.8,28 1,29 229,30 0.655,31 346.96,32 2.895,33 11.452,34 96.303,35 4.659,36 7.43,37 130.8,38 2.938,39 2.938,40 193.564,41 193.564,42 193.564,43 0.517,44 4.111,45 2,47 106.153,48 2.712,49 8.051,50 0.129,51 3.699,52 4.373,53 2.839,54 2.839,55 12.7,56 1.549,57 1.549,58 175.553,59 3.673,60 77.206,61 8.903,63 3,64 3.761,65 6.049}
{0 CHEMBL1229,1 73.186,2 0.913,3 3.712,4 3.712,5 -0.004,6 0.312,7 1.75,9 263.435,10 268.787,11 4.954,12 1.151,13 2,14 2,15 23.365,16 5.01,17 303.188,18 282,19 3.27,20 0.149,21 2.17,22 332.587,23 6,24 6,25 393.55,26 32.094,27 90.65,28 1,29 248,30 0.578,31 384.63,32 2.728,33 9.762,34 116.19,35 4.462,36 7.429,37 90.65,38 2.958,39 2.958,40 123.198,41 123.198,42 123.198,43 0.85,44 4.111,45 2,47 81.505,48 2.723,49 8.225,51 3.68,52 4.174,53 2.597,54 2.597,55 13.757,56 1.472,57 1.472,58 105.187,59 3.501,60 62.803,61 9.145,62 1,63 3,64 3.85,65 8.301}
{0 CHEMBL136111,1 98.588,2 0.79,3 3.739,4 3.739,5 -0.976,6 0.306,8 1,9 254.601,10 254.43,11 4.579,12 1.2,13 2,14 2,15 22.913,16 6.351,17 294.164,18 268,19 3.166,20 0.149,21 2.406,22 308.223,23 7,24 7,25 374.41,26 34.142,27 130.8,28 1,29 238,30 0.701,31 362.1,32 2.895,33 11.452,34 99.469,35 4.659,36 7.43,37 130.8,38 2.951,39 2.951,40 193.564,41 193.564,42 193.564,43 0.533,44 4.205,45 2,47 124.405,48 2.81,49 8.138,50 0.129,51 3.838,52 4.39,53 2.913,54 2.913,55 13.258,56 1.525,57 1.525,58 175.553,59 3.707,60 75.203,61 9.011,63 3,64 3.832,65 8.699}
{0 CHEMBL137054,1 98.588,2 0.88,3 3.739,4 3.739,5 -0.975,6 0.308,8 1,9 245.247,10 245.43,11 4.406,12 1.2,13 2,14 2,15 22.645,16 6.351,17 287.823,18 262,19 3.13,20 0.149,21 2.199,22 302.223,23 7,24 7,25 364.27,26 32.935,27 130.8,28 1,29 229,30 0.655,31 346.96,32 2.895,33 11.452,34 96.303,35 4.659,36 7.43,37 130.8,38 2.938,39 2.938,40 193.564,41 193.564,42 193.564,43 0.517,44 4.111,45 2,47 106.153,48 2.712,49 8.051,50 0.129,51 3.699,52 4.373,53 2.839,54 2.839,55 12.7,56 1.549,57 1.549,58 175.553,59 3.673,60 77.206,61 8.903,63 3,64 3.761,65 6.385}
{0 CHEMBL139367,1 98.588,2 0.912,3 3.79,4 3.79,5 -1.456,6 0.355,8 1,9 276.658,10 277.703,11 4.604,12 1.2,13 2,14 2,15 22.988,16 6.448,17 327.261,18 298,19 3.244,20 0.149,21 2.585,22 346.373,23 8,24 8,25 414.09,26 42.49,27 151.03,28 1,29 259,30 1.056,31 397.65,32 2.895,33 11.452,34 139.765,35 5.321,36 7.43,37 151.03,38 2.973,39 2.973,40 236.247,41 236.247,42 236.247,43 0.767,44 4.29,45 2,47 190.653,48 2.824,49 8.239,50 0.129,51 3.936,52 4.659,53 2.918,54 2.918,55 15.343,56 1.57,57 1.57,58 218.236,59 3.717,60 102.412,61 9.154,63 3,64 3.854,65 7.959}
{0 CHEMBL139978,1 98.588,2 0.88,3 3.739,4 3.739,5 -0.975,6 0.308,8 1,9 245.247,10 245.43,11 4.406,12 1.2,13 2,14 2,15 22.645,16 6.351,17 287.823,18 262,19 3.13,20 0.149,21 2.199,22 302.223,23 7,24 7,25 364.27,26 32.935,27 130.8,28 1,29 229,30 0.655,31 346.96,32 2.895,33 11.452,34 96.303,35 4.659,36 7.43,37 130.8,38 2.938,39 2.938,40 193.564,41 193.564,42 193.564,43 0.517,44 4.111,45 2,47 106.153,48 2.712,49 8.051,50 0.129,51 3.699,52 4.373,53 2.839,54 2.839,55 12.7,56 1.549,57 1.549,58 175.553,59 3.673,60 77.206,61 8.903,63 3,64 3.761,65 5.277}
{0 CHEMBL162413,1 144.681,2 1.084,3 3.927,4 3.927,5 -2.817,6 0.443,7 0.987,8 4,9 389.668,10 393.364,11 6.133,12 1.437,13 3,14 3,15 35.928,16 7.425,17 448.74,18 414,19 3.532,20 0.933,21 2.735,22 483.219,23 8,24 8,25 578.58,26 48.536,27 116.17,28 2,29 366,30 1.376,31 568,32 3.077,33 15.511,34 204.825,35 6.351,36 7.431,37 116.17,38 3.446,39 3.446,40 192.936,41 192.936,42 192.936,43 1.262,44 4.46,45 3,46 0.149,47 202.945,48 3.085,49 8.872,50 0.765,51 3.91,52 4.753,53 3.23,54 3.23,55 26.467,56 1.567,57 1.567,58 171.801,59 3.89,60 112.146,61 9.654,62 1,63 4,64 4.004,65 4.292}
{0 CHEMBL163966,1 144.681,2 1.296,3 3.96,4 3.96,5 -2.357,6 0.433,7 1.212,8 4,9 334.368,10 340.43,11 5.901,12 1.437,13 3,14 3,15 35.493,16 7.425,17 378.695,18 348,19 3.534,20 0.933,21 2.81,22 410.382,23 8,24 8,25 489.53,26 43.103,27 121.96,28 2,29 314,30 1.429,31 491.54,32 3.047,33 15.025,34 187.976,35 5.028,36 7.431,37 121.96,38 3.33,39 3.33,40 183.15,41 183.15,42 183.15,43 1.148,44 4.443,45 3,46 0.149,47 199.07,48 3.117,49 8.54,50 0.522,51 4.013,52 4.57,53 2.893,54 2.893,55 18.166,56 1.632,57 1.632,58 162.015,59 3.796,60 106.779,61 9.53,62 1,63 4,64 4.114,65 5.633}
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{0 CHEMBL192497,1 128.866,2 0.939,3 3.838,4 3.838,5 -1.059,6 0.254,8 1,9 246.041,10 247.601,11 5.123,12 1.907,13 3,14 3,15 34.746,16 7.425,17 300.342,18 274,19 3.535,20 0.458,21 2.328,22 322.022,23 6,24 6,25 377,26 35.828,27 95.5,28 1,29 230,30 0.803,31 352.04,32 3.175,33 14.134,34 95.86,35 4.413,36 7.431,37 95.5,38 2.93,39 2.93,40 154.14,41 154.14,42 154.14,43 0.549,44 4.205,45 2,47 149.171,48 2.938,49 8.051,50 0.149,51 3.884,52 4.195,53 2.823,54 2.823,55 12.89,56 1.495,57 1.495,58 118.118,59 3.687,60 87.728,61 8.995,63 3,64 3.773,65 5.176}
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{0 CHEMBL22943,1 98.588,2 0.725,3 3.655,4 3.655,5 -0.67,6 0.289,7 1.798,9 261.159,10 260.373,11 4.516,12 0.916,13 2,14 2,15 22.881,16 6.351,17 293.33,18 270,19 3.289,20 0.172,21 2.378,22 308.911,23 6,24 6,25 380.03,26 30.626,27 95.66,28 1,29 245,30 0.629,31 378.49,32 2.54,33 9.163,34 103.025,35 4.416,36 7.43,37 95.66,38 2.989,39 2.989,40 147.005,41 147.005,42 147.005,43 0.718,44 4.205,45 2,47 89.547,48 2.715,49 8.294,50 0.149,51 3.825,52 4.208,53 2.692,54 2.692,55 13.588,56 1.472,57 1.472,58 125.87,59 3.623,60 55.872,61 9.2,62 1,63 3,64 3.867,65 7.06}
{0 CHEMBL23009,1 98.588,2 0.761,3 3.655,4 3.655,5 -0.682,6 0.274,7 1.775,9 244.223,10 244.373,11 4.379,12 0.916,13 2,14 2,15 22.606,16 6.351,17 278.515,18 256,19 3.285,20 0.172,21 2.097,22 294.911,23 6,24 6,25 358.87,26 29.123,27 95.66,28 1,29 229,30 0.595,31 353.96,32 2.54,33 9.163,34 99.38,35 4.406,36 7.43,37 95.66,38 2.984,39 2.984,40 147.005,41 147.005,42 147.005,43 0.661,44 4.111,45 2,47 92.243,48 2.667,49 8.233,50 0.149,51 3.684,52 4.15,53 2.656,54 2.656,55 12.697,56 1.546,57 1.546,58 125.87,59 3.555,60 58.783,61 9.151,62 1,63 3,64 3.861,65 8.398}
{0 CHEMBL251786,1 109.588,2 0.869,3 3.768,4 3.768,5 -0.984,6 0.295,7 8.015,9 273.269,10 275.51,11 4.675,12 1.151,13 2,14 2,15 23.033,16 6.351,17 319.094,18 296,19 3.237,20 0.458,21 2.24,22 344.022,23 6,24 6,25 411.34,26 32.016,27 87.66,28 1,29 257,30 0.694,31 396.04,32 2.951,33 12.079,34 87.229,35 4.491,36 7.43,37 87.66,38 2.954,39 2.954,40 139.995,41 139.995,42 139.995,43 0.592,44 4.007,45 2,47 96.312,48 2.859,49 8.064,50 0.149,51 3.695,52 4.232,53 2.66,54 2.66,55 14.929,56 1.498,57 1.498,58 103.973,59 3.529,60 74.487,61 8.819,62 4,63 2,64 3.839,65 9.523}
{0 CHEMBL251787,1 98.588,2 0.93,3 3.781,4 3.781,5 -1.144,6 0.238,7 3.82,9 254.066,10 253.995,11 4.768,12 0.458,13 2,14 2,15 22.838,16 6.447,17 298.25,18 272,19 3.446,20 0.149,21 2.051,22 316.436,23 6,24 6,25 378.3,26 35.486,27 98.66,28 1,29 237,30 0.755,31 364.95,32 2.802,33 9.777,34 119.555,35 4.513,36 7.43,37 98.66,38 3.112,39 3.112,40 171.678,41 171.678,42 171.678,43 0.613,44 4.29,45 2,47 135.144,48 2.989,49 8.259,51 4.022,52 4.246,53 2.711,54 2.711,55 13.487,56 1.472,57 1.472,58 135.657,59 3.601,60 92.655,61 9.246,62 2,63 2,64 4.014,65 8.921}
{0 CHEMBL25333,1 98.588,2 0.721,3 3.655,4 3.655,5 -0.678,6 0.277,7 1.79,9 256.919,10 256.373,11 4.477,12 0.916,13 2,14 2,15 22.803,16 6.351,17 289.127,18 266,19 3.289,20 0.172,21 2.359,22 304.911,23 6,24 6,25 374.25,26 30.31,27 95.66,28 1,29 241,30 0.617,31 372.5,32 2.54,33 9.163,34 105.251,35 4.417,36 7.43,37 95.66,38 2.988,39 2.988,40 147.005,41 147.005,42 147.005,43 0.72,44 4.205,45 2,47 89.256,48 2.712,49 8.287,50 0.149,51 3.825,52 4.203,53 2.69,54 2.69,55 13.352,56 1.494,57 1.494,58 125.87,59 3.618,60 56.626,61 9.199,62 1,63 3,64 3.867,65 7.208}
{0 CHEMBL253409,1 98.588,2 0.992,3 3.768,4 3.768,5 -1.131,6 0.262,7 3.814,9 237.692,10 239.238,11 4.415,12 0.458,13 2,14 2,15 22.616,16 6.449,17 288.221,18 264,19 3.201,20 0.149,21 2.031,22 308.436,23 6,24 6,25 363.94,26 33.851,27 98.66,28 1,29 223,30 0.712,31 342.2,32 2.802,33 9.777,34 117.279,35 4.511,36 7.43,37 98.66,38 2.938,39 2.938,40 171.678,41 171.678,42 171.678,43 0.617,44 4.007,45 2,47 119.237,48 2.695,49 7.941,51 3.695,52 4.235,53 2.659,54 2.659,55 12.872,56 1.495,57 1.495,58 135.657,59 3.524,60 86.842,61 8.792,62 2,63 2,64 3.818,65 7.553}
{0 CHEMBL253410,1 98.588,2 0.992,3 3.768,4 3.768,5 -1.131,6 0.262,7 3.814,9 237.692,10 239.238,11 4.415,12 0.458,13 2,14 2,15 22.616,16 6.449,17 288.221,18 264,19 3.201,20 0.149,21 2.031,22 308.436,23 6,24 6,25 363.94,26 33.851,27 98.66,28 1,29 223,30 0.712,31 342.2,32 2.802,33 9.777,34 117.279,35 4.511,36 7.43,37 98.66,38 2.938,39 2.938,40 171.678,41 171.678,42 171.678,43 0.617,44 4.007,45 2,47 119.237,48 2.695,49 7.941,51 3.695,52 4.235,53 2.659,54 2.659,55 12.872,56 1.495,57 1.495,58 135.657,59 3.524,60 86.842,61 8.792,62 2,63 2,64 3.818,65 8.886}
{0 CHEMBL253621,1 98.588,2 0.872,3 3.768,4 3.768,5 -1.158,6 0.289,7 3.772,9 228.66,10 230.238,11 4.211,12 0.458,13 2,14 2,15 22.286,16 6.45,17 280.056,18 256,19 3.191,20 0.149,21 2.027,22 300.436,23 6,24 6,25 351.86,26 31.705,27 98.66,28 1,29 214,30 0.743,31 327.83,32 2.802,33 9.777,34 109.916,35 4.511,36 7.43,37 98.66,38 2.928,39 2.928,40 171.678,41 171.678,42 171.678,43 0.605,44 4.007,45 2,47 123.507,48 2.642,49 7.909,51 3.695,52 4.234,53 2.659,54 2.659,55 12.175,56 1.547,57 1.547,58 135.657,59 3.523,60 91.05,61 8.77,62 2,63 2,64 3.804,65 8.187}
{0 CHEMBL253625,1 98.588,2 0.953,3 3.768,4 3.768,5 -1.185,6 0.267,7 5.345,9 244.544,10 245.238,11 4.389,12 0.458,13 2,14 2,15 22.574,16 6.449,17 297.357,18 272,19 3.204,20 0.149,21 2.037,22 316.436,23 6,24 6,25 374.57,26 34.601,27 98.66,28 1,29 229,30 0.721,31 350.75,32 2.802,33 9.777,34 121.669,35 4.701,36 7.43,37 98.66,38 2.94,39 2.94,40 171.678,41 171.678,42 171.678,43 0.614,44 4.007,45 2,47 127.345,48 2.719,49 7.959,51 3.695,52 4.507,53 2.659,54 2.659,55 14.753,56 1.522,57 1.522,58 151.423,59 3.525,60 92.192,61 8.794,62 3,63 2,64 3.82,65 8.796}
{0 CHEMBL253839,1 98.588,2 0.879,3 3.768,4 3.768,5 -1.142,6 0.275,7 3.796,9 233.452,10 235.238,11 4.327,12 0.458,13 2,14 2,15 22.472,16 6.449,17 284.018,18 260,19 3.2,20 0.149,21 2.03,22 304.436,23 6,24 6,25 358.16,26 32.972,27 98.66,28 1,29 219,30 0.722,31 336.17,32 2.802,33 9.777,34 110.958,35 4.511,36 7.43,37 98.66,38 2.937,39 2.937,40 171.678,41 171.678,42 171.678,43 0.601,44 4.007,45 2,47 120.268,48 2.687,49 7.932,51 3.695,52 4.235,53 2.659,54 2.659,55 12.549,56 1.52,57 1.52,58 135.657,59 3.524,60 88.287,61 8.79,62 2,63 2,64 3.816,65 8.553}
{0 CHEMBL254679,1 109.588,2 0.873,3 3.769,4 3.769,5 -1.079,6 0.334,7 5.471,9 253.326,10 252.601,11 4.464,12 1.151,13 2,14 2,15 22.689,16 6.351,17 304.088,18 280,19 3.268,20 0.458,21 2.057,22 328.022,23 6,24 6,25 385.57,26 30.805,27 87.66,28 1,29 235,30 0.724,31 363.16,32 2.951,33 12.079,34 94.519,35 4.505,36 7.43,37 87.66,38 2.962,39 2.962,40 139.995,41 139.995,42 139.995,43 0.594,44 4.007,45 2,47 109.271,48 2.879,49 7.992,50 0.149,51 3.695,52 4.447,53 2.66,54 2.66,55 15.32,56 1.522,57 1.522,58 119.74,59 3.528,60 75.554,61 8.836,62 3,63 2,64 3.84,65 9.222}
{0 CHEMBL254883,1 109.588,2 0.888,3 3.769,4 3.769,5 -1.102,6 0.294,7 7.088,9 270.6,10 271.51,11 4.602,12 1.307,13 2,14 2,15 22.916,16 6.351,17 321.174,18 296,19 3.278,20 0.458,21 2.183,22 344.022,23 6,24 6,25 409.56,26 33.448,27 87.66,28 1,29 253,30 0.68,31 389.87,32 3.01,33 13.286,34 95.057,35 4.679,36 7.43,37 87.66,38 2.964,39 2.964,40 139.995,41 139.995,42 139.995,43 0.543,44 4.007,45 2,47 115.944,48 2.908,49 8.022,50 0.447,51 3.695,52 4.501,53 2.66,54 2.66,55 17.69,56 1.498,57 1.498,58 135.507,59 3.529,60 82.375,61 8.838,62 4,63 2,64 3.843,65 8.032}
{0 CHEMBL254884,1 109.588,2 0.926,3 3.768,4 3.768,5 -1.049,6 0.321,7 5.622,9 256.47,10 255.601,11 4.561,12 0.86,13 2,14 2,15 22.846,16 6.351,17 308.224,18 284,19 3.231,20 0.458,21 2.056,22 332.022,23 6,24 6,25 390.81,26 31.677,27 87.66,28 1,29 238,30 0.706,31 366.69,32 2.888,33 11.497,34 94.819,35 4.585,36 7.43,37 87.66,38 2.951,39 2.951,40 139.995,41 139.995,42 139.995,43 0.618,44 4.007,45 2,47 108.758,48 2.819,49 7.982,50 0.149,51 3.695,52 4.482,53 2.659,54 2.659,55 15.593,56 1.497,57 1.497,58 119.74,59 3.527,60 74.828,61 8.815,62 3,63 2,64 3.834,65 9.174}
{0 CHEMBL254885,1 109.588,2 0.884,3 3.768,4 3.768,5 -0.994,6 0.309,7 7.925,9 269.208,10 271.51,11 4.587,12 1.151,13 2,14 2,15 22.888,16 6.351,17 314.975,18 292,19 3.245,20 0.458,21 2.215,22 340.022,23 6,24 6,25 405.6,26 31.166,27 87.66,28 1,29 253,30 0.707,31 390.55,32 2.951,33 12.079,34 85.713,35 4.492,36 7.43,37 87.66,38 2.961,39 2.961,40 139.995,41 139.995,42 139.995,43 0.59,44 4.007,45 2,47 97.468,48 2.882,49 8.067,50 0.149,51 3.695,52 4.22,53 2.66,54 2.66,55 14.513,56 1.523,57 1.523,58 103.973,59 3.532,60 74.713,61 8.821,62 4,63 2,64 3.844,65 7.987}
{0 CHEMBL25495,1 98.588,2 0.765,3 3.655,4 3.655,5 -0.687,6 0.266,7 1.78,9 252.266,10 251.373,11 4.431,12 0.916,13 2,14 2,15 22.711,16 6.351,17 285.232,18 262,19 3.289,20 0.172,21 2.274,22 300.911,23 6,24 6,25 368.03,26 29.973,27 95.66,28 1,29 236,30 0.557,31 365.03,32 2.54,33 9.163,34 103.257,35 4.418,36 7.43,37 95.66,38 2.988,39 2.988,40 147.005,41 147.005,42 147.005,43 0.704,44 4.205,45 2,47 88.371,48 2.7,49 8.272,50 0.149,51 3.825,52 4.196,53 2.679,54 2.679,55 13.088,56 1.519,57 1.519,58 125.87,59 3.598,60 57.33,61 9.187,62 1,63 3,64 3.866,65 7.194}
{0 CHEMBL25549,1 98.588,2 0.792,3 3.661,4 3.661,5 -0.87,6 0.321,7 1.709,9 272.696,10 273.241,11 4.549,12 0.916,13 2,14 2,15 22.946,16 6.456,17 319.192,18 294,19 3.358,20 0.172,21 2.166,22 341.061,23 7,24 7,25 409.07,26 37.368,27 115.89,28 1,29 256,30 0.87,31 396.62,32 2.54,33 9.163,34 134.939,35 5.006,36 7.43,37 115.89,38 3.035,39 3.035,40 189.689,41 189.689,42 189.689,43 0.848,44 4.205,45 2,47 134.098,48 2.822,49 8.315,50 0.149,51 3.811,52 4.392,53 2.768,54 2.768,55 15.171,56 1.541,57 1.541,58 168.554,59 3.688,60 71.651,61 9.238,62 1,63 3,64 3.92,65 7.854}
{0 CHEMBL278852,1 98.588,2 0.714,3 3.654,4 3.654,5 -0.674,6 0.263,7 1.789,9 248.385,10 248.373,11 4.447,12 0.916,13 2,14 2,15 22.742,16 6.351,17 282.677,18 260,19 3.284,20 0.172,21 2.097,22 298.911,23 6,24 6,25 364.63,26 29.687,27 95.66,28 1,29 233,30 0.567,31 359.72,32 2.54,33 9.163,34 102.47,35 4.401,36 7.43,37 95.66,38 2.983,39 2.983,40 147.005,41 147.005,42 147.005,43 0.676,44 4.111,45 2,47 88.814,48 2.663,49 8.235,50 0.149,51 3.684,52 4.161,53 2.654,54 2.654,55 13.073,56 1.519,57 1.519,58 125.87,59 3.551,60 57.488,61 9.151,62 1,63 3,64 3.86,65 8.155}
{0 CHEMBL280383,1 98.588,2 0.794,3 3.655,4 3.655,5 -0.691,6 0.286,7 1.762,9 240.062,10 240.373,11 4.311,12 0.916,13 2,14 2,15 22.471,16 6.351,17 274.354,18 252,19 3.289,20 0.172,21 2.097,22 290.911,23 6,24 6,25 353.11,26 28.559,27 95.66,28 1,29 225,30 0.624,31 348.2,32 2.54,33 9.163,34 97.611,35 4.412,36 7.43,37 95.66,38 2.986,39 2.986,40 147.005,41 147.005,42 147.005,43 0.657,44 4.111,45 2,47 96.048,48 2.677,49 8.228,50 0.149,51 3.684,52 4.136,53 2.662,54 2.662,55 12.322,56 1.576,57 1.576,58 125.87,59 3.563,60 60.028,61 9.16,62 1,63 3,64 3.863,65 7.523}
{0 CHEMBL282465,1 98.588,2 0.75,3 3.655,4 3.655,5 -0.722,6 0.362,7 1.762,9 264.675,10 263.134,11 4.423,12 0.916,13 2,14 2,15 22.694,16 6.351,17 302.141,18 278,19 3.295,20 0.8,21 2.498,22 320.556,23 7,24 7,25 388.67,26 29.92,27 98.9,28 1,29 246,30 0.658,31 382.01,32 2.613,33 10.763,34 105.903,35 4.442,36 7.43,37 98.9,38 2.988,39 2.988,40 150.13,41 150.13,42 150.13,43 0.769,44 4.205,45 2,47 91.984,48 2.798,49 8.272,50 0.172,51 3.788,52 4.231,53 2.679,54 2.679,55 14.806,56 1.579,57 1.579,58 125.87,59 3.598,60 56.419,61 9.187,62 1,63 3,64 3.866,65 4.638}
{0 CHEMBL292198,1 128.437,2 1.02,3 3.886,4 3.886,5 -1.614,6 0.428,8 1,9 342.453,10 341.883,11 6.273,12 1.897,13 3,14 3,15 36.547,16 7.423,17 391.933,18 358,19 3.499,20 1.2,21 2.75,22 413.604,23 9,24 9,25 501.21,26 47.151,27 151.11,28 2,29 319,30 1.006,31 492.03,32 3.232,33 16.693,34 154.243,35 5.322,36 7.433,37 151.11,38 3.148,39 3.148,40 221.833,41 221.833,42 221.833,43 0.874,44 4.511,45 3,46 0.129,47 163.973,48 3.08,49 8.456,50 0.602,51 4.147,52 4.659,53 2.935,54 2.935,55 19.96,56 1.578,57 1.578,58 200.698,59 3.734,60 95.901,61 9.364,63 4,64 3.999,65 4}
{0 CHEMBL292229,1 128.437,2 0.996,3 3.804,4 3.804,5 -1.978,6 0.427,7 1.505,8 1,9 305.614,10 306.756,11 5.3,12 1.892,13 3,14 3,15 34.974,16 7.424,17 367.257,18 334,19 3.479,20 1.2,21 2.613,22 388.292,23 9,24 9,25 461.48,26 43.37,27 159.9,28 2,29 285,30 0.968,31 434.08,32 3.228,33 16.688,34 170.322,35 5.322,36 7.434,37 159.9,38 3.058,39 3.058,40 236.72,41 236.72,42 236.72,43 0.922,44 4.29,45 3,46 0.129,47 164.566,48 3.06,49 8.276,50 0.577,51 3.848,52 4.72,53 2.933,54 2.933,55 19.51,56 1.677,57 1.677,58 216.465,59 3.715,60 119.99,61 9.163,62 1,63 4,64 3.885,65 5.367}
{0 CHEMBL292233,1 128.437,2 1.059,3 3.882,4 3.882,5 -1.662,6 0.432,8 1,9 321.999,10 323.883,11 6.106,12 1.897,13 3,14 3,15 36.259,16 7.423,17 376.753,18 344,19 3.497,20 1.2,21 2.648,22 399.604,23 9,24 9,25 478.93,26 45.896,27 151.11,28 2,29 301,30 0.977,31 461.91,32 3.232,33 16.693,34 160.811,35 5.322,36 7.433,37 151.11,38 3.135,39 3.135,40 221.833,41 221.833,42 221.833,43 0.906,44 4.369,45 3,46 0.129,47 158.835,48 3.076,49 8.374,50 0.602,51 3.937,52 4.659,53 2.935,54 2.935,55 19.691,56 1.575,57 1.575,58 200.698,59 3.724,60 97.043,61 9.293,63 4,64 3.973,65 5.036}
{0 CHEMBL292393,1 128.437,2 1.057,3 3.884,4 3.884,5 -1.594,6 0.425,8 1,9 338.687,10 339.883,11 6.28,12 1.897,13 3,14 3,15 36.561,16 7.423,17 388.98,18 356,19 3.498,20 1.2,21 2.743,22 411.604,23 9,24 9,25 498.21,26 46.816,27 151.11,28 2,29 317,30 0.983,31 487.85,32 3.232,33 16.693,34 155.429,35 5.322,36 7.433,37 151.11,38 3.142,39 3.142,40 221.833,41 221.833,42 221.833,43 0.878,44 4.511,45 3,46 0.129,47 159.169,48 3.078,49 8.455,50 0.602,51 4.147,52 4.659,53 2.935,54 2.935,55 19.859,56 1.578,57 1.578,58 200.698,59 3.733,60 94.724,61 9.371,63 4,64 3.989,65 4.62}
{0 CHEMBL292620,1 128.437,2 1.054,3 3.804,4 3.804,5 -1.83,6 0.422,8 1,9 302.802,10 304.756,11 5.464,12 1.891,13 3,14 3,15 35.266,16 7.424,17 362.239,18 330,19 3.479,20 1.2,21 2.612,22 384.292,23 9,24 9,25 456.59,26 43.677,27 159.9,28 2,29 283,30 0.912,31 431.14,32 3.206,33 15.814,34 162.667,35 5.322,36 7.434,37 159.9,38 3.057,39 3.057,40 236.72,41 236.72,42 236.72,43 0.932,44 4.29,45 3,46 0.062,47 147.249,48 3.059,49 8.27,50 0.313,51 3.848,52 4.659,53 2.933,54 2.933,55 18.133,56 1.622,57 1.622,58 200.698,59 3.715,60 109.973,61 9.163,63 4,64 3.885,65 4.33}
{0 CHEMBL292853,1 139.437,2 0.937,3 3.883,4 3.883,5 -1.751,6 0.588,8 1,9 343.18,10 347.519,11 5.926,12 1.897,13 3,14 3,15 35.945,16 7.423,17 411.182,18 378,19 3.498,20 1.2,21 2.677,22 445.339,23 10,24 10,25 522.11,26 48.406,27 160.34,28 2,29 321,30 1.079,31 494.93,32 3.288,33 18.413,34 182.608,35 5.322,36 7.433,37 160.34,38 3.137,39 3.137,40 232.833,41 232.833,42 232.833,43 1.19,44 4.369,45 3,46 0.183,47 147.718,48 3.077,49 8.386,50 0.86,51 3.937,52 4.659,53 2.935,54 2.935,55 20.209,56 1.685,57 1.685,58 211.698,59 3.725,60 113.555,61 9.295,63 4,64 3.976,65 5.108}
{0 CHEMBL293591,1 128.437,2 1.059,3 3.882,4 3.882,5 -1.587,6 0.43,8 1,9 329.72,10 331.883,11 6.134,12 1.897,13 3,14 3,15 36.308,16 7.423,17 382.358,18 350,19 3.497,20 1.2,21 2.65,22 405.604,23 9,24 9,25 488.51,26 46.108,27 151.11,28 2,29 309,30 0.906,31 474.21,32 3.232,33 16.693,34 166.893,35 5.322,36 7.433,37 151.11,38 3.136,39 3.136,40 221.833,41 221.833,42 221.833,43 0.985,44 4.369,45 3,46 0.129,47 141.142,48 3.076,49 8.388,50 0.602,51 3.937,52 4.659,53 2.935,54 2.935,55 19.307,56 1.6,57 1.6,58 200.698,59 3.725,60 100.369,61 9.295,63 4,64 3.975,65 4.597}
{0 CHEMBL294169,1 128.437,2 1.062,3 3.902,4 3.902,5 -1.578,6 0.416,8 1,9 340.791,10 343.235,11 6.351,12 1.897,13 3,14 3,15 36.66,16 7.423,17 388.63,18 356,19 3.502,20 1.2,21 2.792,22 411.604,23 9,24 9,25 499.53,26 47.168,27 151.11,28 2,29 320,30 0.972,31 492.36,32 3.232,33 16.693,34 172.747,35 5.322,36 7.433,37 151.11,38 3.169,39 3.169,40 221.833,41 221.833,42 221.833,43 0.981,44 4.443,45 3,46 0.129,47 152.852,48 3.09,49 8.456,50 0.602,51 4.037,52 4.659,53 2.935,54 2.935,55 19.803,56 1.578,57 1.578,58 200.698,59 3.737,60 99.211,61 9.375,63 4,64 4.032,65 5.509}
{0 CHEMBL294188,1 128.437,2 1.072,3 3.883,4 3.883,5 -1.606,6 0.434,8 1,9 333.601,10 334.883,11 6.088,12 1.897,13 3,14 3,15 36.236,16 7.423,17 384.913,18 352,19 3.498,20 1.2,21 2.668,22 407.604,23 9,24 9,25 491.91,26 46.195,27 151.11,28 2,29 312,30 0.843,31 479.52,32 3.232,33 16.693,34 167.682,35 5.322,36 7.433,37 151.11,38 3.139,39 3.139,40 221.833,41 221.833,42 221.833,43 1.011,44 4.443,45 3,46 0.129,47 130.57,48 3.077,49 8.42,50 0.602,51 4.048,52 4.659,53 2.935,54 2.935,55 19.327,56 1.6,57 1.6,58 200.698,59 3.726,60 99.568,61 9.326,63 4,64 3.98,65 4.372}
{0 CHEMBL294390,1 128.437,2 1,3 3.881,4 3.881,5 -1.994,6 0.527,8 1,9 326.206,10 329.398,11 5.836,12 1.897,13 3,14 3,15 35.791,16 7.423,17 398.394,18 364,19 3.497,20 1.2,21 2.647,22 427.754,23 10,24 10,25 500.71,26 50.484,27 171.34,28 2,29 305,30 1.188,31 467.84,32 3.232,33 16.693,34 216.342,35 6.351,36 7.433,37 171.34,38 3.134,39 3.134,40 264.516,41 264.516,42 264.516,43 1.245,44 4.369,45 3,46 0.129,47 181.672,48 3.076,49 8.368,50 0.602,51 3.937,52 5.322,53 2.935,54 2.935,55 20.513,56 1.658,57 1.658,58 243.381,59 3.724,60 121.471,61 9.292,63 4,64 3.971,65 4.523}
{0 CHEMBL294427,1 128.437,2 1.018,3 3.887,4 3.887,5 -1.63,6 0.455,8 1,9 317.235,10 319.883,11 5.609,12 1.897,13 3,14 3,15 35.415,16 7.423,17 369.873,18 338,19 3.498,20 1.2,21 2.664,22 393.604,23 9,24 9,25 471.23,26 43.56,27 151.11,28 2,29 297,30 0.92,31 456.93,32 3.232,33 16.693,34 158.026,35 5.322,36 7.433,37 151.11,38 3.143,39 3.143,40 221.833,41 221.833,42 221.833,43 0.951,44 4.369,45 3,46 0.129,47 141.938,48 3.078,49 8.391,50 0.602,51 3.937,52 4.659,53 2.935,54 2.935,55 17.792,56 1.677,57 1.677,58 200.698,59 3.726,60 107.544,61 9.307,63 4,64 3.986,65 5.076}
{0 CHEMBL294700,1 128.437,2 1.11,3 3.9,4 3.9,5 -1.607,6 0.425,8 1,9 336.067,10 338.235,11 6.192,12 1.897,13 3,14 3,15 36.386,16 7.423,17 384.699,18 352,19 3.502,20 1.2,21 2.76,22 407.604,23 9,24 9,25 493.25,26 46.28,27 151.11,28 2,29 315,30 0.923,31 484.22,32 3.232,33 16.693,34 178.62,35 5.322,36 7.433,37 151.11,38 3.164,39 3.164,40 221.833,41 221.833,42 221.833,43 1.027,44 4.443,45 3,46 0.129,47 141.614,48 3.087,49 8.442,50 0.602,51 4.037,52 4.659,53 2.935,54 2.935,55 19.386,56 1.6,57 1.6,58 200.698,59 3.734,60 101.194,61 9.363,63 4,64 4.023,65 4.979}
{0 CHEMBL295490,1 144.681,2 1.208,3 3.924,4 3.924,5 -2.395,6 0.435,7 1.205,8 4,9 313.898,10 319.726,11 5.758,12 1.437,13 3,14 3,15 35.293,16 7.425,17 368.368,18 338,19 3.531,20 0.933,21 2.421,22 400.382,23 8,24 8,25 470.45,26 42.515,27 121.96,28 2,29 294,30 1.448,31 458.99,32 3.047,33 15.025,34 156.483,35 5.028,36 7.431,37 121.96,38 3.233,39 3.233,40 183.15,41 183.15,42 183.15,43 0.973,44 4.29,45 3,46 0.149,47 219.754,48 3.035,49 8.423,50 0.522,51 3.795,52 4.568,53 2.82,54 2.82,55 18.37,56 1.604,57 1.604,58 162.015,59 3.703,60 104.357,61 9.394,62 1,63 4,64 3.997,65 5.518}
{0 CHEMBL299899,1 128.437,2 0.995,3 3.874,4 3.874,5 -1.697,6 0.433,8 1,9 324.748,10 324.531,11 5.99,12 1.897,13 3,14 3,15 36.124,16 7.423,17 381.477,18 348,19 3.495,20 1.2,21 2.636,22 403.604,23 9,24 9,25 483.29,26 45.808,27 151.11,28 2,29 302,30 0.853,31 462.33,32 3.232,33 16.693,34 153.936,35 5.322,36 7.433,37 151.11,38 3.126,39 3.126,40 221.833,41 221.833,42 221.833,43 0.909,44 4.369,45 3,46 0.129,47 134.556,48 3.073,49 8.364,50 0.602,51 3.937,52 4.659,53 2.934,54 2.934,55 20.113,56 1.555,57 1.555,58 200.698,59 3.723,60 94.188,61 9.276,63 4,64 3.959,65 4.523}
{0 CHEMBL299934,1 128.437,2 1.056,3 3.881,4 3.881,5 -1.72,6 0.45,8 1,9 313.085,10 315.883,11 5.789,12 1.897,13 3,14 3,15 35.71,16 7.423,17 368.177,18 336,19 3.497,20 1.2,21 2.643,22 391.604,23 9,24 9,25 467.29,26 44.296,27 151.11,28 2,29 293,30 0.934,31 449.05,32 3.232,33 16.693,34 178.251,35 5.322,36 7.433,37 151.11,38 3.133,39 3.133,40 221.833,41 221.833,42 221.833,43 1.032,44 4.369,45 3,46 0.129,47 143.471,48 3.075,49 8.361,50 0.602,51 3.937,52 4.659,53 2.935,54 2.935,55 18.843,56 1.622,57 1.622,58 200.698,59 3.724,60 101.806,61 9.291,63 4,64 3.969,65 5.824}
{0 CHEMBL300199,1 131.194,2 1.166,3 3.869,4 3.869,5 -2.072,6 0.394,8 2,9 299.119,10 304.063,11 5.485,12 1.437,13 3,14 3,15 34.86,16 7.425,17 343.909,18 314,19 3.531,20 0.782,21 2.326,22 368.292,23 8,24 8,25 439.87,26 39.588,27 125.09,28 2,29 280,30 1.081,31 434.24,32 2.932,33 13.043,34 149.464,35 5.012,36 7.431,37 125.09,38 3.184,39 3.184,40 188.691,41 188.691,42 188.691,43 0.881,44 4.29,45 3,47 201.803,48 2.982,49 8.416,50 0.486,51 3.834,52 4.527,53 2.823,54 2.823,55 16.162,56 1.654,57 1.654,58 167.678,59 3.707,60 101.618,61 9.397,63 4,64 3.963,65 4.208}
{0 CHEMBL300461,1 144.681,2 1.107,3 3.92,4 3.92,5 -3.009,6 0.558,7 1.159,8 4,9 358.089,10 361.895,11 5.598,12 1.437,13 3,14 3,15 35.343,16 7.425,17 415.523,18 380,19 3.532,20 1.228,21 2.727,22 447.339,23 10,24 10,25 529.86,26 46.075,27 160.34,28 2,29 333,30 1.444,31 517.89,32 3.159,33 17.43,34 146.87,35 5.323,36 7.431,37 160.34,38 3.218,39 3.218,40 232.833,41 232.833,42 232.833,43 1.109,44 4.443,45 3,46 0.496,47 196.848,48 3.15,49 8.588,50 0.933,51 3.889,52 4.666,53 3.018,54 3.018,55 22.455,56 1.713,57 1.713,58 211.698,59 3.805,60 109.965,61 9.526,62 1,63 5,64 3.984,65 5.347}
{0 CHEMBL300502,1 114.831,2 0.915,3 3.695,4 3.695,5 -3.016,6 0.67,7 1.082,9 339.323,10 345.643,11 4.356,12 1.132,13 2,14 2,15 22.492,16 6.52,17 425.289,18 388,19 3.32,20 0.86,21 2.654,22 464.116,23 11,24 11,25 530.59,26 54.505,27 198.22,28 1,29 317,30 1.756,31 492.32,32 2.726,33 12.032,34 205.001,35 6.387,36 7.43,37 198.22,38 3.037,39 3.037,40 332.614,41 332.614,42 332.614,43 1.508,44 4.369,45 2,47 260.489,48 2.985,49 8.378,50 0.532,51 3.863,52 6.351,53 2.777,54 2.777,55 21.368,56 1.773,57 1.773,58 296.592,59 3.689,60 196.35,61 9.314,62 1,63 4,64 3.908,65 8.301}
{0 CHEMBL301233,1 128.437,2 1.088,3 3.902,4 3.902,5 -1.559,6 0.408,8 1,9 345.031,10 347.235,11 6.467,12 1.897,13 3,14 3,15 36.871,16 7.423,17 392.833,18 360,19 3.503,20 1.2,21 2.798,22 415.604,23 9,24 9,25 505.31,26 47.885,27 151.11,28 2,29 324,30 0.921,31 498.38,32 3.232,33 16.693,34 168.477,35 5.322,36 7.433,37 151.11,38 3.169,39 3.169,40 221.833,41 221.833,42 221.833,43 0.977,44 4.443,45 3,46 0.129,47 145.758,48 3.09,49 8.462,50 0.602,51 4.037,52 4.659,53 2.935,54 2.935,55 20.17,56 1.557,57 1.557,58 200.698,59 3.738,60 96.525,61 9.376,63 4,64 4.033,65 4.839}
{0 CHEMBL301435,1 128.437,2 1.056,3 3.881,4 3.881,5 -1.72,6 0.45,8 1,9 313.085,10 315.883,11 5.789,12 1.897,13 3,14 3,15 35.71,16 7.423,17 368.177,18 336,19 3.497,20 1.2,21 2.643,22 391.604,23 9,24 9,25 467.29,26 44.296,27 151.11,28 2,29 293,30 0.934,31 449.05,32 3.232,33 16.693,34 178.251,35 5.322,36 7.433,37 151.11,38 3.133,39 3.133,40 221.833,41 221.833,42 221.833,43 1.032,44 4.369,45 3,46 0.129,47 143.471,48 3.075,49 8.361,50 0.602,51 3.937,52 4.659,53 2.935,54 2.935,55 18.843,56 1.622,57 1.622,58 200.698,59 3.724,60 101.806,61 9.291,63 4,64 3.969,65 5.523}
{0 CHEMBL301478,1 128.437,2 1.018,3 3.874,4 3.874,5 -1.721,6 0.449,8 1,9 316.425,10 316.531,11 5.832,12 1.897,13 3,14 3,15 35.82,16 7.423,17 373.154,18 340,19 3.495,20 1.2,21 2.636,22 395.604,23 9,24 9,25 471.77,26 44.696,27 151.11,28 2,29 294,30 0.876,31 450.81,32 3.232,33 16.693,34 157.723,35 5.322,36 7.433,37 151.11,38 3.125,39 3.125,40 221.833,41 221.833,42 221.833,43 0.951,44 4.369,45 3,46 0.129,47 140.336,48 3.073,49 8.355,50 0.602,51 3.937,52 4.659,53 2.934,54 2.934,55 19.462,56 1.598,57 1.598,58 200.698,59 3.723,60 98.219,61 9.276,63 4,64 3.959,65 4.735}
{0 CHEMBL301664,1 139.437,2 1.006,3 3.809,4 3.809,5 -1.989,6 0.569,8 1,9 329.307,10 328.765,11 5.619,12 1.891,13 3,14 3,15 35.514,16 7.424,17 402.85,18 368,19 3.482,20 1.2,21 2.634,22 434.027,23 10,24 10,25 504.31,26 47.092,27 169.13,28 2,29 304,30 1.122,31 466.47,32 3.264,33 17.534,34 185.936,35 5.322,36 7.434,37 169.13,38 3.069,39 3.069,40 247.719,41 247.719,42 247.719,43 1.146,44 4.369,45 3,46 0.129,47 159.429,48 3.062,49 8.31,50 0.86,51 3.957,52 4.659,53 2.933,54 2.933,55 20.358,56 1.658,57 1.658,58 211.698,59 3.717,60 113.967,61 9.203,63 4,64 3.9,65 4.6}
{0 CHEMBL302133,1 139.351,2 1.744,3 3.821,4 3.821,5 -2.011,6 0.587,7 1.446,8 8,9 728.022,10 728.836,11 7.088,12 1.891,13 3,14 3,15 39.84,16 7.429,17 727.427,18 680,19 3.594,20 1.167,21 3.327,22 766.014,23 10,24 11,25 987.78,26 61.835,27 133.67,28 2,29 684,30 1.459,31 1064.91,32 3.352,33 19.927,34 156.709,35 4.834,36 7.431,37 133.67,38 3.744,39 3.744,40 179.681,41 179.681,42 177.904,43 1.316,44 5.182,45 2,46 0.599,47 151.923,48 3.449,49 9.847,50 1.151,51 4.571,52 4.735,53 3.528,54 3.528,55 60.753,56 1.525,57 1.525,58 141.883,59 4.183,60 108.261,61 10.68,62 1,63 4,64 4.287,65 4.252}
{0 CHEMBL303175,1 156.233,2 1.063,3 3.705,4 3.705,5 -1.912,6 0.538,7 1.225,8 4,9 359.253,10 370.112,11 4.229,12 1.151,13 2,14 2,15 22.237,16 6.351,17 393.07,18 362,19 3.337,20 0.522,21 2.424,22 428.027,23 9,24 9,25 513.03,26 36.147,27 140.57,28 1,29 336,30 1.305,31 521.15,32 2.665,33 10.33,34 123.123,35 5.022,36 7.43,37 140.57,38 3.483,39 3.483,40 200.997,41 200.997,42 200.997,43 0.961,44 4.407,45 2,47 135.473,48 2.787,49 8.838,50 0.149,51 3.782,52 4.553,53 2.923,54 2.923,55 17.753,56 1.824,57 1.824,58 182.987,59 3.764,60 92.553,61 9.807,62 1,63 3,64 4.063,65 4.367}
{0 CHEMBL308497,1 116.598,2 0.876,3 3.986,4 3.986,5 -1.923,6 0.481,8 1,9 356.449,10 354.784,11 5.24,12 1.119,13 2,14 2,15 23.342,16 6.468,17 401.852,18 368,19 3.23,20 0.555,21 2.578,22 425.543,23 9,24 9,25 518.13,26 46.698,27 159.97,28 1,29 333,30 0.908,31 521.65,32 2.632,33 10.373,34 171.815,35 6.351,36 7.427,37 159.97,38 3.587,39 3.587,40 264.044,41 264.044,42 264.044,43 1.09,44 4.677,45 2,47 118.045,48 3.001,49 9.164,50 0.135,51 4.111,52 5.886,53 3.135,54 3.135,55 23.308,56 1.748,57 1.748,58 242.909,59 3.84,60 90.102,61 10.227,63 3,64 4.246,65 5.097}
{0 CHEMBL308831,1 156.233,2 1.274,3 3.705,4 3.705,5 -1.952,6 0.48,7 1.23,8 4,9 434.508,10 442.112,11 4.451,12 1.151,13 2,14 2,15 22.68,16 6.351,17 456.122,18 422,19 3.34,20 0.522,21 2.615,22 488.027,23 9,24 9,25 605.48,26 39.551,27 140.57,28 1,29 408,30 1.262,31 634.11,32 2.665,33 10.33,34 125.78,35 5.022,36 7.43,37 140.57,38 3.545,39 3.545,40 200.997,41 200.997,42 200.997,43 1.024,44 4.559,45 2,47 129.803,48 2.889,49 9.233,50 0.149,51 3.91,52 4.716,53 3.302,54 3.302,55 25.492,56 1.757,57 1.757,58 182.987,59 3.899,60 88.486,61 10.13,62 1,63 3,64 4.198,65 4.097}
{0 CHEMBL309419,1 109.588,2 0.841,3 3.65,4 3.65,5 -0.966,6 0.359,7 1.524,9 224.539,10 227.454,11 4.064,12 1.151,13 2,14 2,15 21.975,16 6.351,17 274.552,18 252,19 3.212,20 0.149,21 2.097,22 299.001,23 6,24 6,25 346.33,26 29.816,27 101.65,28 1,29 210,30 0.709,31 324.19,32 2.626,33 9.287,34 125.31,35 4.618,36 7.43,37 101.65,38 2.931,39 2.931,40 154.881,41 154.881,42 154.881,43 0.898,44 4.007,45 2,47 101.818,48 2.455,49 8.115,51 3.551,52 4.13,53 2.544,54 2.544,55 11.643,56 1.612,57 1.612,58 136.87,59 3.429,60 72.15,61 9.049,62 1,63 3,64 3.811,65 6.733}
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{0 CHEMBL400133,1 109.588,2 0.944,3 3.768,4 3.768,5 -1.072,6 0.282,7 7.263,9 273.743,10 274.51,11 4.699,12 1.151,13 2,14 2,15 23.073,16 6.351,17 325.311,18 300,19 3.239,20 0.458,21 2.183,22 348.022,23 6,24 6,25 414.8,26 34.362,27 87.66,28 1,29 256,30 0.671,31 393.39,32 2.951,33 12.079,34 95.306,35 4.696,36 7.43,37 87.66,38 2.953,39 2.953,40 139.995,41 139.995,42 139.995,43 0.565,44 4.007,45 2,47 114.267,48 2.858,49 8.013,50 0.149,51 3.695,52 4.517,53 2.659,54 2.659,55 17.996,56 1.476,57 1.476,58 135.507,59 3.527,60 81.596,61 8.817,62 4,63 2,64 3.837,65 6.959}
{0 CHEMBL400495,1 98.588,2 0.974,3 3.768,4 3.768,5 -1.123,6 0.251,7 3.828,9 241.854,10 243.238,11 4.485,12 0.458,13 2,14 2,15 22.732,16 6.449,17 292.383,18 268,19 3.201,20 0.149,21 2.032,22 312.436,23 6,24 6,25 369.7,26 34.583,27 98.66,28 1,29 227,30 0.721,31 347.97,32 2.802,33 9.777,34 114.352,35 4.511,36 7.43,37 98.66,38 2.938,39 2.938,40 171.678,41 171.678,42 171.678,43 0.579,44 4.007,45 2,47 123.908,48 2.696,49 7.948,51 3.695,52 4.236,53 2.659,54 2.659,55 13.155,56 1.472,57 1.472,58 135.657,59 3.525,60 85.218,61 8.792,62 2,63 2,64 3.819,65 7.921}
{0 CHEMBL400552,1 109.588,2 0.884,3 3.768,4 3.768,5 -0.994,6 0.309,7 7.925,9 269.208,10 271.51,11 4.587,12 1.151,13 2,14 2,15 22.888,16 6.351,17 314.975,18 292,19 3.245,20 0.458,21 2.215,22 340.022,23 6,24 6,25 405.6,26 31.166,27 87.66,28 1,29 253,30 0.707,31 390.55,32 2.951,33 12.079,34 85.713,35 4.492,36 7.43,37 87.66,38 2.961,39 2.961,40 139.995,41 139.995,42 139.995,43 0.59,44 4.007,45 2,47 97.468,48 2.882,49 8.067,50 0.149,51 3.695,52 4.22,53 2.66,54 2.66,55 14.513,56 1.523,57 1.523,58 103.973,59 3.532,60 74.713,61 8.821,62 4,63 2,64 3.844,65 7.616}
{0 CHEMBL401373,1 98.588,2 0.872,3 3.768,4 3.768,5 -1.158,6 0.289,7 3.772,9 228.66,10 230.238,11 4.211,12 0.458,13 2,14 2,15 22.286,16 6.45,17 280.056,18 256,19 3.191,20 0.149,21 2.027,22 300.436,23 6,24 6,25 351.86,26 31.705,27 98.66,28 1,29 214,30 0.743,31 327.83,32 2.802,33 9.777,34 109.916,35 4.511,36 7.43,37 98.66,38 2.928,39 2.928,40 171.678,41 171.678,42 171.678,43 0.605,44 4.007,45 2,47 123.507,48 2.642,49 7.909,51 3.695,52 4.234,53 2.659,54 2.659,55 12.175,56 1.547,57 1.547,58 135.657,59 3.523,60 91.05,61 8.77,62 2,63 2,64 3.804,65 7.071}
{0 CHEMBL406252,1 98.588,2 0.807,3 3.656,4 3.656,5 -0.702,6 0.297,7 1.742,9 235.9,10 236.373,11 4.225,12 0.916,13 2,14 2,15 22.299,16 6.351,17 270.192,18 248,19 3.3,20 0.172,21 2.097,22 286.911,23 6,24 6,25 347.35,26 27.806,27 95.66,28 1,29 221,30 0.625,31 342.44,32 2.54,33 9.163,34 98.219,35 4.424,36 7.43,37 95.66,38 2.992,39 2.992,40 147.005,41 147.005,42 147.005,43 0.675,44 4.111,45 2,47 97.576,48 2.696,49 8.238,50 0.149,51 3.684,52 4.12,53 2.675,54 2.675,55 11.857,56 1.608,57 1.608,58 125.87,59 3.578,60 59.935,61 9.164,62 1,63 3,64 3.869,65 7.004}
{0 CHEMBL411601,1 128.437,2 1.063,3 4.221,4 4.221,5 -1.625,6 0.471,8 1,9 343.18,10 337.254,11 5.972,12 1.995,13 3,14 3,15 36.025,16 7.423,17 411.182,18 378,19 3.729,20 1.897,21 3.074,22 416.464,23 9,24 10,25 522.11,26 45.27,27 176.41,28 2,29 321,30 0.939,31 494.93,32 3.755,33 22.593,34 168.081,35 5.322,36 7.433,37 151.11,38 3.137,39 3.137,40 221.833,41 221.833,42 221.833,43 1.04,44 4.369,45 3,46 0.183,47 137.534,48 3.496,49 8.386,50 1.2,51 3.937,52 4.659,53 2.935,54 2.935,55 18.099,56 1.758,57 1.758,58 200.698,59 3.725,60 102.241,61 9.295,63 4,64 3.976,65 4.536}
{0 CHEMBL418456,1 128.437,2 1.081,3 3.809,4 3.809,5 -1.882,6 0.383,8 1,9 382.283,10 380.038,11 6.011,12 1.891,13 3,14 3,15 36.267,16 7.424,17 432.125,18 396,19 3.481,20 1.2,21 2.743,22 450.292,23 9,24 9,25 555.96,26 46.948,27 159.9,28 2,29 358,30 0.906,31 543.7,32 3.206,33 15.814,34 176.491,35 5.322,36 7.434,37 159.9,38 3.366,39 3.366,40 236.72,41 236.72,42 236.72,43 0.927,44 4.527,45 3,46 0.062,47 150.042,48 3.062,49 8.801,50 0.313,51 4.065,52 4.753,53 3.069,54 3.069,55 26.422,56 1.579,57 1.579,58 200.698,59 3.886,60 106.784,61 9.51,63 4,64 3.914,65 4.903}
{0 CHEMBL419710,1 144.681,2 1.235,3 3.924,4 3.924,5 -2.354,6 0.403,7 1.217,8 4,9 322.224,10 327.726,11 5.99,12 1.437,13 3,14 3,15 35.71,16 7.425,17 376.691,18 346,19 3.531,20 0.933,21 2.428,22 408.382,23 8,24 8,25 481.97,26 43.911,27 121.96,28 2,29 302,30 1.322,31 470.57,32 3.047,33 15.025,34 156.297,35 5.028,36 7.431,37 121.96,38 3.234,39 3.234,40 183.15,41 183.15,42 183.15,43 0.999,44 4.29,45 3,46 0.149,47 204.832,48 3.035,49 8.432,50 0.522,51 3.795,52 4.568,53 2.821,54 2.821,55 19.128,56 1.556,57 1.556,58 162.015,59 3.704,60 104.335,61 9.394,62 1,63 4,64 3.997,65 4}
{0 CHEMBL420120,1 98.588,2 0.724,3 3.654,4 3.654,5 -0.725,6 0.283,7 1.762,9 240.664,10 240.373,11 4.435,12 0.916,13 2,14 2,15 22.718,16 6.351,17 277.071,18 254,19 3.283,20 0.172,21 2.097,22 292.911,23 6,24 6,25 355.05,26 29.752,27 95.66,28 1,29 225,30 0.621,31 347.42,32 2.54,33 9.163,34 99.39,35 4.395,36 7.43,37 95.66,38 2.982,39 2.982,40 147.005,41 147.005,42 147.005,43 0.64,44 4.111,45 2,47 99.001,48 2.655,49 8.218,50 0.149,51 3.684,52 4.141,53 2.649,54 2.649,55 13.379,56 1.491,57 1.491,58 125.87,59 3.544,60 56.473,61 9.149,62 1,63 3,64 3.858,65 7.222}
{0 CHEMBL422016,1 144.681,2 1.151,3 3.926,4 3.926,5 -2.13,6 0.428,7 1.403,8 4,9 327.021,10 333.5,11 5.99,12 1.437,13 3,14 3,15 35.989,16 7.425,17 379.617,18 350,19 3.532,20 0.933,21 2.482,22 413.403,23 8,24 8,25 488.29,26 42.249,27 107.97,28 2,29 307,30 1.412,31 479.14,32 3.062,33 15.296,34 121.389,35 4.681,36 7.431,37 107.97,38 3.233,39 3.233,40 168.264,41 168.264,42 168.264,43 0.919,44 4.29,45 3,46 0.149,47 205.546,48 3.079,49 8.445,50 0.657,51 3.795,52 4.249,53 2.832,54 2.832,55 19.569,56 1.556,57 1.556,58 129.118,59 3.72,60 98.498,61 9.408,62 1,63 4,64 3.998,65 5.347}
{0 CHEMBL422026,1 144.681,2 1.208,3 3.924,4 3.924,5 -2.395,6 0.435,7 1.205,8 4,9 313.898,10 319.726,11 5.758,12 1.437,13 3,14 3,15 35.293,16 7.425,17 368.368,18 338,19 3.531,20 0.933,21 2.421,22 400.382,23 8,24 8,25 470.45,26 42.515,27 121.96,28 2,29 294,30 1.448,31 458.99,32 3.047,33 15.025,34 156.483,35 5.028,36 7.431,37 121.96,38 3.233,39 3.233,40 183.15,41 183.15,42 183.15,43 0.973,44 4.29,45 3,46 0.149,47 219.754,48 3.035,49 8.423,50 0.522,51 3.795,52 4.568,53 2.82,54 2.82,55 18.37,56 1.604,57 1.604,58 162.015,59 3.703,60 104.357,61 9.394,62 1,63 4,64 3.997,65 5.131}
{0 CHEMBL422357,1 144.681,2 1.368,3 3.913,4 3.913,5 -2.076,6 0.372,7 1.39,8 4,9 367.292,10 370.092,11 6.099,12 1.437,13 3,14 3,15 35.824,16 7.425,17 415.426,18 384,19 3.526,20 0.933,21 2.715,22 445.07,23 7,24 7,25 538.92,26 40.342,27 95.94,28 2,29 345,30 1.127,31 532.77,32 3.021,33 13.982,34 123.693,35 4.754,36 7.431,37 95.94,38 3.445,39 3.445,40 150.253,41 150.253,42 150.253,43 0.777,44 4.388,45 3,47 166.145,48 2.882,49 8.824,50 0.51,51 3.809,52 4.659,53 3.23,54 3.23,55 24.176,56 1.534,57 1.534,58 129.118,59 3.89,60 94.141,61 9.585,62 1,63 4,64 3.999,65 4.854}
{0 CHEMBL423292,1 98.588,2 0.692,3 3.654,4 3.654,5 -0.66,6 0.286,7 1.81,9 256.708,10 256.373,11 4.557,12 0.916,13 2,14 2,15 22.962,16 6.351,17 291,18 268,19 3.284,20 0.172,21 2.097,22 306.911,23 6,24 6,25 376.15,26 30.573,27 95.66,28 1,29 241,30 0.643,31 371.24,32 2.54,33 9.163,34 103.689,35 4.397,36 7.43,37 95.66,38 2.983,39 2.983,40 147.005,41 147.005,42 147.005,43 0.741,44 4.111,45 2,47 92.277,48 2.66,49 8.246,50 0.149,51 3.684,52 4.181,53 2.652,54 2.652,55 13.709,56 1.472,57 1.472,58 125.87,59 3.549,60 55.526,61 9.149,62 1,63 3,64 3.859,65 7.387}
{0 CHEMBL424528,1 144.681,2 1.14,3 3.925,4 3.925,5 -2.446,6 0.369,7 1.215,8 4,9 409.535,10 409.726,11 6.332,12 1.437,13 3,14 3,15 36.388,16 7.425,17 450.876,18 416,19 3.531,20 0.933,21 3.004,22 478.382,23 8,24 8,25 588.63,26 46.909,27 121.96,28 2,29 384,30 1.31,31 595.68,32 3.047,33 15.025,34 160.611,35 5.028,36 7.431,37 121.96,38 3.566,39 3.566,40 183.15,41 183.15,42 183.15,43 0.934,44 4.663,45 3,46 0.149,47 204.931,48 3.04,49 9.052,50 0.522,51 4.135,52 4.735,53 3.234,54 3.234,55 28.171,56 1.518,57 1.518,58 162.015,59 3.996,60 100.772,61 9.919,62 1,63 4,64 4.11,65 5.208}
{0 CHEMBL424821,1 98.588,2 0.938,3 3.767,4 3.767,5 -0.899,6 0.252,7 3.986,9 219.921,10 218.965,11 4.399,12 0.458,13 2,14 2,15 22.589,16 6.351,17 257.874,18 236,19 3.142,20 0.149,21 2.033,22 272.286,23 5,24 5,25 327.78,26 26.318,27 78.43,28 1,29 205,30 0.518,31 313.44,32 2.802,33 9.777,34 69.802,35 4.295,36 7.43,37 78.43,38 2.892,39 2.892,40 128.995,41 128.995,42 128.995,43 0.405,44 4.007,45 2,47 82.601,48 2.44,49 7.886,51 3.724,52 4.158,53 2.659,54 2.659,55 11.163,56 1.446,57 1.446,58 92.973,59 3.521,60 62.912,61 8.719,62 2,63 2,64 3.763,65 5.222}
{0 CHEMBL426810,1 134.365,2 0.943,3 3.771,4 3.771,5 -0.947,6 0.278,8 1,9 300.097,10 285.487,11 4.532,12 0.458,13 2,14 2,15 22.894,16 6.351,17 338.543,18 312,19 3.265,20 0.149,21 2.258,22 334.792,23 6,24 7,25 437.21,26 29.873,27 119.56,28 1,29 279,30 0.65,31 429.95,32 2.802,33 9.777,34 74.787,35 4.386,36 7.43,37 91.32,38 3.105,39 3.105,40 145.78,41 145.78,42 145.78,43 0.512,44 4.227,45 2,47 89.963,48 2.653,49 8.507,51 3.847,52 4.187,53 2.879,54 2.879,55 14.037,56 1.666,57 1.666,58 109.759,59 3.754,60 67.898,61 9.392,63 2,64 3.852,65 4.959}
{0 CHEMBL428241,1 109.588,2 0.926,3 3.768,4 3.768,5 -1.049,6 0.321,7 5.622,9 256.47,10 255.601,11 4.561,12 0.86,13 2,14 2,15 22.846,16 6.351,17 308.224,18 284,19 3.231,20 0.458,21 2.056,22 332.022,23 6,24 6,25 390.81,26 31.677,27 87.66,28 1,29 238,30 0.706,31 366.69,32 2.888,33 11.497,34 94.819,35 4.585,36 7.43,37 87.66,38 2.951,39 2.951,40 139.995,41 139.995,42 139.995,43 0.618,44 4.007,45 2,47 108.758,48 2.819,49 7.982,50 0.149,51 3.695,52 4.482,53 2.659,54 2.659,55 15.593,56 1.497,57 1.497,58 119.74,59 3.527,60 74.828,61 8.815,62 3,63 2,64 3.834,65 7.42}
{0 CHEMBL429031,1 128.437,2 1.088,3 3.809,4 3.809,5 -1.856,6 0.417,8 1,9 308.536,10 310.038,11 5.559,12 1.891,13 3,14 3,15 35.399,16 7.424,17 364.858,18 332,19 3.481,20 1.2,21 2.621,22 386.292,23 9,24 9,25 460.85,26 44.081,27 159.9,28 2,29 288,30 0.952,31 439.15,32 3.206,33 15.814,34 177.142,35 5.322,36 7.434,37 159.9,38 3.069,39 3.069,40 236.72,41 236.72,42 236.72,43 0.974,44 4.369,45 3,46 0.062,47 154.369,48 3.062,49 8.304,50 0.313,51 3.957,52 4.659,53 2.933,54 2.933,55 18.316,56 1.622,57 1.622,58 200.698,59 3.717,60 111.031,61 9.202,63 4,64 3.899,65 4.783}
{0 CHEMBL430814,1 109.588,2 0.931,3 3.653,4 3.653,5 -0.876,6 0.287,7 1.635,9 278.393,10 280.363,11 4.531,12 1.151,13 2,14 2,15 22.911,16 6.351,17 318.327,18 294,19 3.263,20 0.149,21 2.433,22 341.001,23 6,24 6,25 411.61,26 35.194,27 101.65,28 1,29 262,30 0.681,31 403.98,32 2.626,33 9.287,34 131.689,35 4.616,36 7.43,37 101.65,38 2.942,39 2.942,40 154.881,41 154.881,42 154.881,43 0.941,44 4.205,45 2,47 93.728,48 2.784,49 8.278,51 3.821,52 4.266,53 2.671,54 2.671,55 13.965,56 1.434,57 1.434,58 136.87,59 3.648,60 66.298,61 9.158,62 1,63 3,64 3.825,65 5.187}
{0 CHEMBL430869,1 144.681,2 1.153,3 3.924,4 3.924,5 -2.328,6 0.358,7 1.229,8 4,9 338.869,10 343.726,11 6.173,12 1.437,13 3,14 3,15 36.095,16 7.425,17 393.337,18 362,19 3.531,20 0.933,21 2.426,22 424.382,23 8,24 8,25 505.01,26 45.38,27 121.96,28 2,29 318,30 1.336,31 493.58,32 3.047,33 15.025,34 149.75,35 5.028,36 7.431,37 121.96,38 3.233,39 3.233,40 183.15,41 183.15,42 183.15,43 0.886,44 4.29,45 3,46 0.149,47 206.747,48 3.035,49 8.449,50 0.522,51 3.795,52 4.568,53 2.821,54 2.821,55 20.143,56 1.478,57 1.478,58 162.015,59 3.704,60 102.241,61 9.394,62 1,63 4,64 3.997,65 4.432}
{0 CHEMBL433269,1 144.681,2 1.135,3 3.927,4 3.927,5 -2.921,6 0.525,7 1.177,8 4,9 367.826,10 373.247,11 5.988,12 1.437,13 3,14 3,15 35.984,16 7.425,17 423.283,18 388,19 3.533,20 1.228,21 2.738,22 455.339,23 10,24 10,25 542.78,26 48.144,27 160.34,28 2,29 344,30 1.54,31 534.78,32 3.159,33 17.43,34 152.434,35 5.323,36 7.431,37 160.34,38 3.233,39 3.233,40 232.833,41 232.833,42 232.833,43 1.069,44 4.443,45 3,46 0.496,47 216.262,48 3.153,49 8.606,50 0.933,51 3.889,52 4.666,53 3.022,54 3.022,55 23.229,56 1.66,57 1.66,58 211.698,59 3.812,60 114.993,61 9.539,62 1,63 5,64 4.001,65 6.285}
{0 CHEMBL436250,1 144.681,2 1.296,3 3.96,4 3.96,5 -2.357,6 0.433,7 1.212,8 4,9 334.368,10 340.43,11 5.901,12 1.437,13 3,14 3,15 35.493,16 7.425,17 378.695,18 348,19 3.534,20 0.933,21 2.81,22 410.382,23 8,24 8,25 489.53,26 43.103,27 121.96,28 2,29 314,30 1.429,31 491.54,32 3.047,33 15.025,34 187.976,35 5.028,36 7.431,37 121.96,38 3.33,39 3.33,40 183.15,41 183.15,42 183.15,43 1.148,44 4.443,45 3,46 0.149,47 199.07,48 3.117,49 8.54,50 0.522,51 4.013,52 4.57,53 2.893,54 2.893,55 18.166,56 1.632,57 1.632,58 162.015,59 3.796,60 106.779,61 9.53,62 1,63 4,64 4.114,65 5.328}
{0 CHEMBL440151,1 98.588,2 0.759,3 3.653,4 3.653,5 -0.767,6 0.293,7 1.71,9 230.951,10 229.021,11 4.277,12 0.916,13 2,14 2,15 22.402,16 6.351,17 269.331,18 246,19 3.26,20 0.172,21 2.097,22 284.911,23 6,24 6,25 342.15,26 27.955,27 95.66,28 1,29 214,30 0.615,31 330.78,32 2.54,33 9.163,34 101.767,35 4.403,36 7.43,37 95.66,38 2.972,39 2.972,40 147.005,41 147.005,42 147.005,43 0.664,44 4.111,45 2,47 101.4,48 2.603,49 8.192,50 0.149,51 3.684,52 4.124,53 2.624,54 2.624,55 12.926,56 1.543,57 1.543,58 125.87,59 3.511,60 57.454,61 9.133,62 1,63 3,64 3.848,65 7.187}
{0 CHEMBL441790,1 128.437,2 1.106,3 3.883,4 3.883,5 -1.612,6 0.448,8 1,9 321.396,10 323.883,11 5.829,12 1.897,13 3,14 3,15 35.775,16 7.423,17 374.035,18 342,19 3.498,20 1.2,21 2.655,22 397.604,23 9,24 9,25 476.99,26 44.574,27 151.11,28 2,29 301,30 0.904,31 462.69,32 3.232,33 16.693,34 162.311,35 5.322,36 7.433,37 151.11,38 3.138,39 3.138,40 221.833,41 221.833,42 221.833,43 0.961,44 4.369,45 3,46 0.129,47 137.563,48 3.077,49 8.382,50 0.602,51 3.937,52 4.659,53 2.935,54 2.935,55 18.369,56 1.649,57 1.649,58 200.698,59 3.725,60 106.042,61 9.302,63 4,64 3.978,65 4.62}
{0 CHEMBL442774,1 144.681,2 1.225,3 3.944,4 3.944,5 -2.376,6 0.394,7 1.22,8 4,9 398.116,10 401.078,11 6.281,12 1.437,13 3,14 3,15 36.227,16 7.425,17 439.189,18 406,19 3.533,20 0.933,21 2.812,22 468.382,23 8,24 8,25 574.64,26 45.307,27 121.96,28 2,29 375,30 1.353,31 582.54,32 3.047,33 15.025,34 172.519,35 5.028,36 7.431,37 121.96,38 3.448,39 3.448,40 183.15,41 183.15,42 183.15,43 1.056,44 4.59,45 3,46 0.149,47 196.214,48 3.092,49 8.935,50 0.522,51 4.125,52 4.753,53 3.29,54 3.29,55 25.816,56 1.598,57 1.598,58 162.015,59 3.891,60 103.172,61 9.737,62 1,63 4,64 4.085,65 4.444}
{0 CHEMBL445672,1 98.588,2 0.879,3 3.768,4 3.768,5 -1.142,6 0.275,7 3.796,9 233.452,10 235.238,11 4.327,12 0.458,13 2,14 2,15 22.472,16 6.449,17 284.018,18 260,19 3.2,20 0.149,21 2.03,22 304.436,23 6,24 6,25 358.16,26 32.972,27 98.66,28 1,29 219,30 0.722,31 336.17,32 2.802,33 9.777,34 110.958,35 4.511,36 7.43,37 98.66,38 2.937,39 2.937,40 171.678,41 171.678,42 171.678,43 0.601,44 4.007,45 2,47 120.268,48 2.687,49 7.932,51 3.695,52 4.235,53 2.659,54 2.659,55 12.549,56 1.52,57 1.52,58 135.657,59 3.524,60 88.287,61 8.79,62 2,63 2,64 3.816,65 7.538}
{0 CHEMBL473062,1 109.588,2 0.874,3 3.796,4 3.796,5 -1.007,6 0.313,7 3.94,9 266.3,10 265.51,11 4.729,12 0.86,13 2,14 2,15 23.11,16 6.351,17 308.136,18 284,19 3.471,20 0.458,21 2.072,22 332.022,23 6,24 6,25 394.98,26 31.9,27 87.66,28 1,29 247,30 0.779,31 382.42,32 2.888,33 11.497,34 96.195,35 4.485,36 7.43,37 87.66,38 3.123,39 3.123,40 139.995,41 139.995,42 139.995,43 0.678,44 4.29,45 2,47 116.58,48 3.014,49 8.3,50 0.149,51 4.022,52 4.213,53 2.726,54 2.726,55 14.26,56 1.451,57 1.451,58 103.973,59 3.612,60 71.853,61 9.298,62 2,63 2,64 4.027,65 9.854}
{0 CHEMBL50254,1 144.681,2 1.182,3 3.917,4 3.917,5 -2.477,6 0.476,7 1.187,8 4,9 304.161,10 308.373,11 5.368,12 1.437,13 3,14 3,15 34.651,16 7.425,17 360.607,18 330,19 3.53,20 0.933,21 2.361,22 392.382,23 8,24 8,25 457.53,26 40.581,27 121.96,28 2,29 283,30 1.356,31 442.1,32 3.047,33 15.025,34 151.206,35 5.028,36 7.431,37 121.96,38 3.218,39 3.218,40 183.15,41 183.15,42 183.15,43 1.02,44 4.29,45 3,46 0.149,47 200.136,48 3.027,49 8.401,50 0.522,51 3.795,52 4.569,53 2.81,54 2.81,55 17.7,56 1.661,57 1.661,58 162.015,59 3.687,60 100.346,61 9.378,62 1,63 4,64 3.982,65 4.319}
{0 CHEMBL51311,1 131.194,2 1.105,3 3.872,4 3.872,5 -2.572,6 0.48,8 2,9 352.952,10 357.585,11 5.715,12 1.437,13 3,14 3,15 35.551,16 7.425,17 398.788,18 364,19 3.533,20 1.2,21 2.702,22 423.249,23 10,24 10,25 512.16,26 45.114,27 163.47,28 2,29 330,30 1.177,31 509.63,32 3.056,33 15.701,34 150.308,35 5.322,36 7.431,37 163.47,38 3.186,39 3.186,40 238.374,41 238.374,42 238.374,43 1.061,44 4.443,45 3,46 0.129,47 192.463,48 3.103,49 8.598,50 0.782,51 3.924,52 4.659,53 3.046,54 3.046,55 20.822,56 1.692,57 1.692,58 217.361,59 3.832,60 111.6,61 9.54,63 5,64 3.964,65 4.658}
{0 CHEMBL51451,1 144.681,2 1.193,3 3.854,4 3.854,5 -2.59,6 0.458,7 1.173,8 2,9 290.539,10 296.599,11 4.999,12 1.437,13 3,14 3,15 34.107,16 7.426,17 349.693,18 320,19 3.523,20 0.892,21 2.309,22 381.07,23 8,24 8,25 442.35,26 39.175,27 130.75,28 2,29 272,30 1.294,31 422.42,32 3.016,33 14.155,34 149.355,35 5.028,36 7.431,37 130.75,38 3.124,39 3.124,40 198.037,41 198.037,42 198.037,43 0.959,44 4.205,45 3,46 0.141,47 201.589,48 2.991,49 8.32,50 0.522,51 3.692,52 4.57,53 2.752,54 2.752,55 16.408,56 1.693,57 1.693,58 162.015,59 3.604,60 112.586,61 9.276,62 1,63 4,64 3.914,65 4.301}
{0 CHEMBL51955,1 109.588,2 0.908,3 3.653,4 3.653,5 -0.881,6 0.284,7 1.612,9 257.278,10 260.363,11 4.351,12 1.151,13 2,14 2,15 22.551,16 6.351,17 299.35,18 276,19 3.262,20 0.149,21 2.213,22 323.001,23 6,24 6,25 384.69,26 33.301,27 101.65,28 1,29 242,30 0.616,31 373.74,32 2.626,33 9.287,34 125.8,35 4.617,36 7.43,37 101.65,38 2.941,39 2.941,40 154.881,41 154.881,42 154.881,43 0.881,44 4.111,45 2,47 91.828,48 2.746,49 8.211,51 3.68,52 4.205,53 2.605,54 2.605,55 12.768,56 1.522,57 1.522,58 136.87,59 3.538,60 71.453,61 9.107,62 1,63 3,64 3.822,65 6.921}
{0 CHEMBL52270,1 114.831,2 0.949,3 3.689,4 3.689,5 -2.345,6 0.614,7 1.095,9 288.496,10 295.333,11 4.128,12 0.86,13 2,14 2,15 22.034,16 6.52,17 371.844,18 340,19 3.307,20 0.522,21 2.339,22 411.45,23 9,24 9,25 461.67,26 48.749,27 162.34,28 1,29 270,30 1.57,31 421.87,32 2.58,33 9.748,34 210.214,35 6.387,36 7.43,37 162.34,38 3.024,39 3.024,40 282.931,41 282.931,42 282.931,43 1.395,44 4.205,45 2,47 249.661,48 2.866,49 8.251,50 0.149,51 3.767,52 6.351,53 2.715,54 2.715,55 16.474,56 1.702,57 1.702,58 264.92,59 3.627,60 183.898,61 9.199,62 1,63 3,64 3.907,65 6.393}
{0 CHEMBL54149,1 144.681,2 1.104,3 3.858,4 3.858,5 -3.127,6 0.535,7 1.145,8 2,9 344.467,10 350.12,11 5.23,12 1.437,13 3,14 3,15 34.798,16 7.426,17 404.609,18 370,19 3.525,20 1.228,21 2.695,22 436.027,23 10,24 10,25 514.68,26 44.575,27 169.13,28 2,29 322,30 1.381,31 498.21,32 3.131,33 16.56,34 145.326,35 5.323,36 7.431,37 169.13,38 3.134,39 3.134,40 247.719,41 247.719,42 247.719,43 1.042,44 4.369,45 3,46 0.149,47 197.221,48 3.131,49 8.521,50 0.892,51 3.795,52 4.667,53 2.98,54 2.98,55 21.044,56 1.742,57 1.742,58 211.698,59 3.757,60 122.552,61 9.438,62 1,63 5,64 3.916,65 4.357}
{0 CHEMBL55440,1 98.588,2 0.792,3 3.587,4 3.587,5 -1.634,6 0.32,9 276.514,10 274.064,11 3.932,12 1.2,13 2,14 2,15 21.706,16 6.351,17 308.234,18 280,19 3.057,20 0.149,21 1.889,22 320.223,23 7,24 7,25 394.98,26 27.418,27 130.8,28 1,29 257,30 0.452,31 391.9,32 2.614,33 9.644,34 60.673,35 4.697,36 7.43,37 130.8,38 3.269,39 3.269,40 193.564,41 193.564,42 193.564,43 0.433,44 4.35,45 2,47 60.938,48 2.571,49 8.923,50 0.129,51 3.538,52 4.659,53 2.843,54 2.843,55 16.516,56 1.789,57 1.789,58 175.553,59 3.616,60 61.072,61 9.888,63 3,64 3.904,65 5}
{0 CHEMBL56273,1 128.437,2 1.114,3 3.809,4 3.809,5 -1.837,6 0.408,8 1,9 312.776,10 314.038,11 5.675,12 1.891,13 3,14 3,15 35.61,16 7.424,17 369.061,18 336,19 3.481,20 1.2,21 2.622,22 390.292,23 9,24 9,25 466.63,26 44.831,27 159.9,28 2,29 292,30 0.944,31 445.15,32 3.206,33 15.814,34 173.799,35 5.322,36 7.434,37 159.9,38 3.069,39 3.069,40 236.72,41 236.72,42 236.72,43 0.964,44 4.369,45 3,46 0.062,47 151.709,48 3.062,49 8.31,50 0.313,51 3.957,52 4.659,53 2.933,54 2.933,55 18.678,56 1.598,57 1.598,58 200.698,59 3.717,60 108.523,61 9.203,63 4,64 3.9,65 4.914}
{0 CHEMBL56485,1 128.437,2 1.095,3 3.809,4 3.809,5 -1.824,6 0.4,8 1,9 316.938,10 318.038,11 5.763,12 1.891,13 3,14 3,15 35.778,16 7.424,17 373.223,18 340,19 3.481,20 1.2,21 2.622,22 394.292,23 9,24 9,25 472.39,26 45.519,27 159.9,28 2,29 296,30 0.93,31 450.92,32 3.206,33 15.814,34 172.119,35 5.322,36 7.434,37 159.9,38 3.069,39 3.069,40 236.72,41 236.72,42 236.72,43 0.941,44 4.369,45 3,46 0.062,47 147.075,48 3.062,49 8.315,50 0.313,51 3.957,52 4.659,53 2.933,54 2.933,55 19,56 1.575,57 1.575,58 200.698,59 3.717,60 106.121,61 9.203,63 4,64 3.9,65 4.432}
{0 CHEMBL56700,1 128.437,2 1.06,3 3.886,4 3.886,5 -1.787,6 0.422,8 1,9 383.667,10 381.883,11 6.362,12 1.897,13 3,14 3,15 36.738,16 7.423,17 431.632,18 396,19 3.499,20 1.2,21 2.802,22 451.604,23 9,24 9,25 556.8,26 47.173,27 151.11,28 2,29 359,30 0.89,31 549.67,32 3.253,33 17.216,34 165.082,35 5.322,36 7.433,37 151.11,38 3.375,39 3.375,40 221.833,41 221.833,42 221.833,43 0.949,44 4.527,45 3,46 0.129,47 147.245,48 3.081,49 8.836,50 0.76,51 4.048,52 4.753,53 3.12,54 3.12,55 27.146,56 1.601,57 1.601,58 200.698,59 3.856,60 99.654,61 9.58,63 4,64 4.013,65 4.523}
{0 CHEMBL57021,1 128.437,2 1.016,3 3.874,4 3.874,5 -1.794,6 0.431,8 1,9 381.771,10 378.531,11 6.148,12 1.897,13 3,14 3,15 36.419,16 7.423,17 432.055,18 396,19 3.496,20 1.2,21 2.738,22 451.604,23 9,24 9,25 555.34,26 46.332,27 151.11,28 2,29 356,30 0.849,31 543.63,32 3.232,33 16.693,34 162.817,35 5.322,36 7.433,37 151.11,38 3.4,39 3.4,40 221.833,41 221.833,42 221.833,43 0.956,44 4.527,45 3,46 0.129,47 136.363,48 3.074,49 8.826,50 0.602,51 4.048,52 4.753,53 3.124,54 3.124,55 26.983,56 1.601,57 1.601,58 200.698,59 3.886,60 97.896,61 9.564,63 4,64 3.968,65 4.573}
{0 CHEMBL57142,1 128.437,2 1.028,3 3.81,4 3.81,5 -1.828,6 0.408,8 1,9 313.234,10 315.038,11 5.718,12 1.891,13 3,14 3,15 35.674,16 7.424,17 368.777,18 336,19 3.482,20 1.2,21 2.628,22 390.292,23 9,24 9,25 467.11,26 45.054,27 159.9,28 2,29 293,30 1,31 447.05,32 3.206,33 15.814,34 173.062,35 5.322,36 7.434,37 159.9,38 3.071,39 3.071,40 236.72,41 236.72,42 236.72,43 0.947,44 4.369,45 3,46 0.062,47 165.386,48 3.063,49 8.319,50 0.313,51 3.957,52 4.659,53 2.933,54 2.933,55 18.728,56 1.598,57 1.598,58 200.698,59 3.718,60 109.198,61 9.213,63 4,64 3.903,65 5.523}
{0 CHEMBL57257,1 139.437,2 1.043,3 3.81,4 3.81,5 -1.96,6 0.556,8 1,9 334.006,10 333.765,11 5.778,12 1.891,13 3,14 3,15 35.788,16 7.424,17 406.769,18 372,19 3.482,20 1.2,21 2.657,22 438.027,23 10,24 10,25 510.57,26 48.249,27 169.13,28 2,29 309,30 1.117,31 474.42,32 3.264,33 17.534,34 188.279,35 5.322,36 7.434,37 169.13,38 3.071,39 3.071,40 247.719,41 247.719,42 247.719,43 1.203,44 4.369,45 3,46 0.129,47 163.611,48 3.063,49 8.325,50 0.86,51 3.957,52 4.659,53 2.933,54 2.933,55 20.844,56 1.634,57 1.634,58 211.698,59 3.718,60 113.168,61 9.214,63 4,64 3.903,65 4.699}
{0 CHEMBL57348,1 98.588,2 1.261,3 4.976,4 4.976,5 1.613,6 0.241,9 265.637,10 241.389,11 4.264,12 1.906,13 2,14 2,15 22.368,16 6.351,17 314.746,18 292,19 3.725,20 1.823,21 3.103,22 291.674,23 4,24 6,25 404.06,26 23.635,27 117,28 1,29 249,30 0.456,31 386.43,32 4.238,33 23.639,34 102.263,35 4.108,36 7.429,37 66.4,38 3.163,39 3.163,40 110.984,41 110.984,42 110.984,43 0.508,44 4.111,45 2,47 75.851,48 3.482,49 8.331,50 0.68,51 3.514,52 3.952,53 2.611,54 2.611,55 7.425,56 1.68,57 1.68,58 92.973,59 3.46,60 57.503,61 9.288,63 4,64 4.002,65 5.523}
{0 CHEMBL57350,1 128.437,2 1.14,3 3.809,4 3.809,5 -1.844,6 0.403,8 1,9 320.36,10 320.038,11 5.781,12 1.891,13 3,14 3,15 35.805,16 7.424,17 376.057,18 342,19 3.481,20 1.2,21 2.629,22 396.292,23 9,24 9,25 475.35,26 45.637,27 159.9,28 2,29 298,30 0.933,31 454.69,32 3.206,33 15.814,34 172.51,35 5.322,36 7.434,37 159.9,38 3.07,39 3.07,40 236.72,41 236.72,42 236.72,43 0.956,44 4.443,45 3,46 0.062,47 150.481,48 3.062,49 8.337,50 0.313,51 4.065,52 4.659,53 2.933,54 2.933,55 19.146,56 1.575,57 1.575,58 200.698,59 3.718,60 104.715,61 9.228,63 4,64 3.901,65 4.943}
{0 CHEMBL57426,1 116.598,2 0.812,3 3.824,4 3.824,5 -1.658,6 0.403,8 1,9 326.315,10 325.917,11 4.987,12 1.119,13 2,14 2,15 23.01,16 6.456,17 362.599,18 332,19 3.049,20 0.555,21 2.431,22 381.394,23 8,24 8,25 469.57,26 37.992,27 139.74,28 1,29 306,30 0.715,31 474.74,32 2.632,33 10.373,34 104.246,35 5.886,36 7.427,37 139.74,38 3.384,39 3.384,40 221.361,41 221.361,42 221.361,43 0.725,44 4.494,45 2,47 95.184,48 2.713,49 9.012,50 0.135,51 3.788,52 4.801,53 2.991,54 2.991,55 20.442,56 1.747,57 1.747,58 200.226,59 3.752,60 78.929,61 10.024,63 3,64 4.079,65 5}
{0 CHEMBL57520,1 128.437,2 1.058,3 3.881,4 3.881,5 -1.691,6 0.441,8 1,9 317.542,10 319.883,11 5.948,12 1.897,13 3,14 3,15 35.985,16 7.423,17 372.465,18 340,19 3.497,20 1.2,21 2.645,22 395.604,23 9,24 9,25 473.11,26 45.096,27 151.11,28 2,29 297,30 0.955,31 455.48,32 3.232,33 16.693,34 169.156,35 5.322,36 7.433,37 151.11,38 3.134,39 3.134,40 221.833,41 221.833,42 221.833,43 0.967,44 4.369,45 3,46 0.129,47 151.13,48 3.075,49 8.368,50 0.602,51 3.937,52 4.659,53 2.935,54 2.935,55 19.267,56 1.598,57 1.598,58 200.698,59 3.724,60 99.398,61 9.292,63 4,64 3.971,65 5.155}
{0 CHEMBL57726,1 128.437,2 1.049,3 3.804,4 3.804,5 -1.903,6 0.402,8 1,9 368.148,10 366.756,11 5.78,12 1.891,13 3,14 3,15 35.865,16 7.424,17 421.141,18 386,19 3.479,20 1.2,21 2.721,22 440.292,23 9,24 9,25 540.16,26 45.448,27 159.9,28 2,29 345,30 0.907,31 523.94,32 3.206,33 15.814,34 166.66,35 5.322,36 7.434,37 159.9,38 3.361,39 3.361,40 236.72,41 236.72,42 236.72,43 0.929,44 4.46,45 3,46 0.062,47 146.731,48 3.06,49 8.774,50 0.313,51 3.968,52 4.753,53 3.057,54 3.057,55 25.381,56 1.623,57 1.623,58 200.698,59 3.874,60 108.832,61 9.48,63 4,64 3.906,65 4.152}
{0 CHEMBL57800,1 128.437,2 1.093,3 3.882,4 3.882,5 -1.599,6 0.439,8 1,9 325.558,10 327.883,11 5.981,12 1.897,13 3,14 3,15 36.042,16 7.423,17 378.197,18 346,19 3.497,20 1.2,21 2.652,22 401.604,23 9,24 9,25 482.75,26 45.341,27 151.11,28 2,29 305,30 0.905,31 468.45,32 3.232,33 16.693,34 163.754,35 5.322,36 7.433,37 151.11,38 3.137,39 3.137,40 221.833,41 221.833,42 221.833,43 0.966,44 4.369,45 3,46 0.129,47 139.333,48 3.076,49 8.386,50 0.602,51 3.937,52 4.659,53 2.935,54 2.935,55 18.838,56 1.624,57 1.624,58 200.698,59 3.725,60 103.162,61 9.295,63 4,64 3.976,65 5.161}
{0 CHEMBL57865,1 128.437,2 1.168,3 3.809,4 3.809,5 -1.885,6 0.426,8 1,9 303.878,10 305.038,11 5.4,12 1.891,13 3,14 3,15 35.125,16 7.424,17 360.963,18 328,19 3.481,20 1.2,21 2.618,22 382.292,23 9,24 9,25 454.61,26 43.107,27 159.9,28 2,29 283,30 0.944,31 431.47,32 3.206,33 15.814,34 177.923,35 5.322,36 7.434,37 159.9,38 3.067,39 3.067,40 236.72,41 236.72,42 236.72,43 0.972,44 4.369,45 3,46 0.062,47 148.669,48 3.062,49 8.29,50 0.313,51 3.957,52 4.659,53 2.933,54 2.933,55 17.904,56 1.647,57 1.647,58 200.698,59 3.717,60 112.021,61 9.192,63 4,64 3.896,65 5.337}
{0 CHEMBL58028,1 128.437,2 1.051,3 3.889,4 3.889,5 -1.776,6 0.453,8 1,9 317.975,10 317.883,11 5.768,12 1.897,13 3,14 3,15 35.678,16 7.423,17 371.512,18 338,19 3.499,20 1.2,21 2.684,22 393.604,23 9,24 9,25 470.21,26 44.167,27 151.11,28 2,29 295,30 0.892,31 452.43,32 3.232,33 16.693,34 182.726,35 5.322,36 7.433,37 151.11,38 3.147,39 3.147,40 221.833,41 221.833,42 221.833,43 1.056,44 4.443,45 3,46 0.129,47 138.385,48 3.08,49 8.391,50 0.602,51 4.037,52 4.659,53 2.935,54 2.935,55 19.22,56 1.622,57 1.622,58 200.698,59 3.728,60 99.565,61 9.33,63 4,64 3.993,65 5.167}
{0 CHEMBL58538,1 128.437,2 0.99,3 4.114,4 4.114,5 -2.443,6 0.476,8 1,9 352.742,10 354.913,11 6.129,12 1.897,13 3,14 3,15 36.371,16 7.423,17 413.379,18 376,19 3.497,20 1.2,21 2.749,22 439.754,23 10,24 10,25 523.89,26 54.456,27 171.34,28 2,29 329,30 1.316,31 509.98,32 3.277,33 17.413,34 182.749,35 6.344,36 7.433,37 171.34,38 3.329,39 3.329,40 264.516,41 264.516,42 264.516,43 1.076,44 4.575,45 3,46 0.183,47 215.345,48 3.097,49 8.645,50 0.602,51 4.185,52 5.321,53 3.02,54 3.02,55 22.02,56 1.612,57 1.612,58 243.381,59 3.805,60 156.371,61 9.688,63 4,64 4.174,65 4.481}
{0 CHEMBL58569,1 128.437,2 1.051,3 3.884,4 3.884,5 -1.607,6 0.434,8 1,9 333.956,10 334.883,11 6.127,12 1.897,13 3,14 3,15 36.294,16 7.423,17 385.044,18 352,19 3.498,20 1.2,21 2.682,22 407.604,23 9,24 9,25 491.97,26 46.225,27 151.11,28 2,29 312,30 0.939,31 480.13,32 3.232,33 16.693,34 159.853,35 5.322,36 7.433,37 151.11,38 3.141,39 3.141,40 221.833,41 221.833,42 221.833,43 0.932,44 4.443,45 3,46 0.129,47 149.336,48 3.078,49 8.421,50 0.602,51 4.048,52 4.659,53 2.935,54 2.935,55 19.399,56 1.6,57 1.6,58 200.698,59 3.727,60 99.369,61 9.329,63 4,64 3.985,65 5}
{0 CHEMBL59528,1 128.437,2 1.04,3 3.81,4 3.81,5 -1.795,6 0.392,8 1,9 321.635,10 323.038,11 5.922,12 1.891,13 3,14 3,15 36.053,16 7.424,17 377.142,18 344,19 3.482,20 1.2,21 2.63,22 398.292,23 9,24 9,25 478.65,26 46.521,27 159.9,28 2,29 301,30 0.954,31 458.83,32 3.206,33 15.814,34 168.816,35 5.322,36 7.434,37 159.9,38 3.071,39 3.071,40 236.72,41 236.72,42 236.72,43 0.916,44 4.369,45 3,46 0.062,47 155.086,48 3.063,49 8.33,50 0.313,51 3.957,52 4.659,53 2.933,54 2.933,55 19.413,56 1.555,57 1.555,58 200.698,59 3.718,60 104.025,61 9.214,63 4,64 3.904,65 4.796}
{0 CHEMBL60685,1 128.437,2 0.997,3 3.874,4 3.874,5 -1.74,6 0.458,8 1,9 312.262,10 312.531,11 5.716,12 1.897,13 3,14 3,15 35.609,16 7.423,17 368.992,18 336,19 3.495,20 1.2,21 2.636,22 391.604,23 9,24 9,25 466.01,26 44.028,27 151.11,28 2,29 290,30 0.951,31 445.02,32 3.232,33 16.693,34 157.779,35 5.322,36 7.433,37 151.11,38 3.125,39 3.125,40 221.833,41 221.833,42 221.833,43 0.933,44 4.369,45 3,46 0.129,47 151.888,48 3.073,49 8.35,50 0.602,51 3.937,52 4.659,53 2.934,54 2.934,55 19.076,56 1.622,57 1.622,58 200.698,59 3.723,60 100.139,61 9.276,63 4,64 3.958,65 5.208}
{0 CHEMBL60856,1 128.437,2 1.043,3 3.803,4 3.803,5 -1.878,6 0.439,8 1,9 294.299,10 296.756,11 5.189,12 1.891,13 3,14 3,15 34.781,16 7.424,17 353.833,18 322,19 3.479,20 1.2,21 2.612,22 376.292,23 9,24 9,25 445.03,26 41.973,27 159.9,28 2,29 275,30 0.956,31 419.16,32 3.206,33 15.814,34 169.508,35 5.322,36 7.434,37 159.9,38 3.057,39 3.057,40 236.72,41 236.72,42 236.72,43 0.957,44 4.29,45 3,46 0.062,47 151.259,48 3.059,49 8.26,50 0.313,51 3.848,52 4.659,53 2.933,54 2.933,55 17.346,56 1.675,57 1.675,58 200.698,59 3.715,60 115.804,61 9.163,63 4,64 3.885,65 5.509}
{0 CHEMBL60863,1 128.437,2 0.978,3 3.876,4 3.876,5 -1.87,6 0.456,7 1.56,8 1,9 319.374,10 318.531,11 5.669,12 1.897,13 3,14 3,15 35.528,16 7.423,17 378.216,18 344,19 3.496,20 1.2,21 2.642,22 399.604,23 9,24 9,25 476.68,26 44.83,27 151.11,28 2,29 296,30 0.946,31 453.96,32 3.253,33 17.216,34 166.44,35 5.322,36 7.433,37 151.11,38 3.127,39 3.127,40 221.833,41 221.833,42 221.833,43 0.931,44 4.369,45 3,46 0.129,47 157.55,48 3.074,49 8.362,50 0.76,51 3.937,52 4.715,53 2.934,54 2.934,55 20.941,56 1.649,57 1.649,58 216.465,59 3.723,60 106.398,61 9.278,62 1,63 4,64 3.96,65 4.932}
{0 CHEMBL674,1 109.588,2 0.757,3 3.653,4 3.653,5 -0.939,6 0.295,7 1.574,9 245.24,10 248.363,11 4.284,12 1.151,13 2,14 2,15 22.417,16 6.351,17 289.5,18 266,19 3.259,20 0.149,21 2.168,22 313.001,23 6,24 6,25 369.31,26 32.492,27 101.65,28 1,29 230,30 0.662,31 355.18,32 2.626,33 9.287,34 128.241,35 4.617,36 7.43,37 101.65,38 2.94,39 2.94,40 154.881,41 154.881,42 154.881,43 0.852,44 4.111,45 2,47 101.938,48 2.719,49 8.181,51 3.68,52 4.182,53 2.587,54 2.587,55 12.762,56 1.52,57 1.52,58 136.87,59 3.498,60 71.199,61 9.102,62 1,63 3,64 3.821,65 8.484}
{0 CHEMBL70936,1 152.813,2 1.082,3 3.716,4 3.716,5 -1.733,6 0.396,7 1.304,8 4,9 379.381,10 386.255,11 4.605,12 1.151,13 2,14 2,15 22.989,16 6.351,17 402.007,18 372,19 3.413,20 0.522,21 2.539,22 429.937,23 8,24 9,25 532.67,26 38.953,27 132.36,28 1,29 357,30 1.199,31 556.39,32 2.665,33 10.33,34 117.969,35 4.999,36 7.43,37 132.36,38 3.509,39 3.509,40 190.106,41 190.106,42 188.207,43 0.874,44 4.559,45 2,47 124.658,48 3.025,49 9.118,50 0.149,51 3.866,52 4.547,53 2.947,54 2.947,55 20.977,56 1.625,57 1.625,58 170.196,59 3.804,60 87.776,61 10.208,62 1,63 3,64 4.184,65 4.886}
{0 CHEMBL71078,1 144.681,2 1.17,3 3.854,4 3.854,5 -2.647,6 0.41,7 1.177,8 2,9 360.047,10 362.599,11 5.431,12 1.437,13 3,14 3,15 34.908,16 7.426,17 412.756,18 380,19 3.524,20 0.892,21 2.719,22 441.07,23 8,24 8,25 531.68,26 41.729,27 130.75,28 2,29 338,30 1.264,31 521,32 3.016,33 14.155,34 154.237,35 5.028,36 7.431,37 130.75,38 3.444,39 3.444,40 198.037,41 198.037,42 198.037,43 0.972,44 4.388,45 3,46 0.141,47 193.009,48 2.992,49 8.807,50 0.522,51 3.831,52 4.753,53 3.123,54 3.123,55 23.702,56 1.652,57 1.652,58 162.015,59 3.889,60 108.091,61 9.564,62 1,63 4,64 3.921,65 4.174}
{0 CHEMBL73669,1 144.681,2 1.213,3 3.925,4 3.925,5 -2.452,6 0.397,7 1.209,8 4,9 383.408,10 385.726,11 6.189,12 1.437,13 3,14 3,15 36.094,16 7.425,17 431.431,18 398,19 3.531,20 0.933,21 2.732,22 460.382,23 8,24 8,25 559.78,26 44.872,27 121.96,28 2,29 360,30 1.363,31 557.6,32 3.047,33 15.025,34 161.52,35 5.028,36 7.431,37 121.96,38 3.446,39 3.446,40 183.15,41 183.15,42 183.15,43 0.989,44 4.46,45 3,46 0.149,47 206.622,48 3.037,49 8.872,50 0.522,51 3.922,52 4.752,53 3.23,54 3.23,55 26.254,56 1.578,57 1.578,58 162.015,59 3.89,60 102.96,61 9.654,62 1,63 4,64 4.004,65 5.484}
{0 CHEMBL77627,1 114.831,2 0.912,3 3.695,4 3.695,5 -2.63,6 0.694,7 0.873,9 294.756,10 302.972,11 4.072,12 0.86,13 2,14 2,15 21.923,16 6.52,17 389.153,18 356,19 3.316,20 0.765,21 2.392,22 434.288,23 9,24 9,25 480.47,26 52.171,27 156.55,28 1,29 276,30 1.681,31 432.27,32 2.626,33 10.235,34 255.906,35 6.439,36 7.43,37 156.55,38 3.024,39 3.024,40 292.717,41 292.717,42 292.717,43 1.646,44 4.205,45 2,47 262.957,48 2.913,49 8.251,50 0.149,51 3.753,52 6.387,53 2.715,54 2.715,55 16.664,56 1.654,57 1.654,58 274.706,59 3.627,60 200.234,61 9.199,62 1,63 3,64 3.907,65 5}
{0 CHEMBL79499,1 109.588,2 0.811,3 3.653,4 3.653,5 -0.96,6 0.254,7 1.595,9 318.987,10 318.363,11 4.525,12 1.151,13 2,14 2,15 22.899,16 6.351,17 356.766,18 330,19 3.261,20 0.149,21 2.636,22 377.001,23 6,24 6,25 464.42,26 35.109,27 101.65,28 1,29 300,30 0.644,31 459.76,32 2.626,33 9.287,34 132.365,35 4.756,36 7.43,37 101.65,38 3.445,39 3.445,40 154.881,41 154.881,42 154.881,43 0.83,44 4.311,45 2,47 104.057,48 2.794,49 8.729,51 3.821,52 4.603,53 2.94,54 2.94,55 20.371,56 1.476,57 1.476,58 136.87,59 3.819,60 70.608,61 9.438,62 1,63 3,64 3.904,65 7.456}
{0 CHEMBL79908,1 109.588,2 0.999,3 3.65,4 3.65,5 -0.937,6 0.325,7 1.558,9 233.3,10 235.454,11 4.189,12 1.151,13 2,14 2,15 22.227,16 6.351,17 283.045,18 260,19 3.213,20 0.149,21 2.097,22 307.001,23 6,24 6,25 357.93,26 31.322,27 101.65,28 1,29 218,30 0.622,31 336.6,32 2.626,33 9.287,34 127.224,35 4.607,36 7.43,37 101.65,38 2.932,39 2.932,40 154.881,41 154.881,42 154.881,43 0.921,44 4.007,45 2,47 92.55,48 2.468,49 8.127,51 3.551,52 4.156,53 2.545,54 2.545,55 12.281,56 1.547,57 1.547,58 136.87,59 3.43,60 69.149,61 9.049,62 1,63 3,64 3.811,65 6.668}
{0 CHEMBL81286,1 109.588,2 0.811,3 3.653,4 3.653,5 -0.96,6 0.254,7 1.595,9 318.987,10 318.363,11 4.525,12 1.151,13 2,14 2,15 22.899,16 6.351,17 356.766,18 330,19 3.261,20 0.149,21 2.636,22 377.001,23 6,24 6,25 464.42,26 35.109,27 101.65,28 1,29 300,30 0.644,31 459.76,32 2.626,33 9.287,34 132.365,35 4.756,36 7.43,37 101.65,38 3.445,39 3.445,40 154.881,41 154.881,42 154.881,43 0.83,44 4.311,45 2,47 104.057,48 2.794,49 8.729,51 3.821,52 4.603,53 2.94,54 2.94,55 20.371,56 1.476,57 1.476,58 136.87,59 3.819,60 70.608,61 9.438,62 1,63 3,64 3.904,65 7.155}
{0 CHEMBL81637,1 109.588,2 0.925,3 3.65,4 3.65,5 -0.91,6 0.295,7 1.587,9 249.946,10 251.454,11 4.336,12 1.151,13 2,14 2,15 22.52,16 6.351,17 299.692,18 276,19 3.213,20 0.149,21 2.097,22 323.001,23 6,24 6,25 380.97,26 33.014,27 101.65,28 1,29 234,30 0.623,31 359.64,32 2.626,33 9.287,34 125.8,35 4.606,36 7.43,37 101.65,38 2.932,39 2.932,40 154.881,41 154.881,42 154.881,43 0.885,44 4.007,45 2,47 87.058,48 2.469,49 8.15,51 3.551,52 4.207,53 2.545,54 2.545,55 13.189,56 1.451,57 1.451,58 136.87,59 3.43,60 63.898,61 9.049,62 1,63 3,64 3.811,65 5.456}
{0 CHEMBL81777,1 109.588,2 0.853,3 3.653,4 3.653,5 -0.993,6 0.286,7 3.31,9 256.331,10 258.363,11 4.324,12 1.151,13 2,14 2,15 22.497,16 6.351,17 302.839,18 278,19 3.263,20 0.149,21 2.212,22 325.001,23 6,24 6,25 385.72,26 34.103,27 101.65,28 1,29 240,30 0.646,31 369.76,32 2.626,33 9.287,34 134.024,35 4.739,36 7.43,37 101.65,38 2.94,39 2.94,40 154.881,41 154.881,42 154.881,43 0.883,44 4.111,45 2,47 108.206,48 2.752,49 8.202,51 3.68,52 4.558,53 2.598,54 2.598,55 14.921,56 1.522,57 1.522,58 152.637,59 3.517,60 75.135,61 9.105,62 2,63 3,64 3.821,65 7.62}
{0 CHEMBL82771,1 109.588,2 0.95,3 3.65,4 3.65,5 -0.92,6 0.296,7 1.576,9 241.623,10 243.454,11 4.274,12 1.151,13 2,14 2,15 22.397,16 6.351,17 291.368,18 268,19 3.213,20 0.149,21 2.097,22 315.001,23 6,24 6,25 369.45,26 32.347,27 101.65,28 1,29 226,30 0.636,31 348.12,32 2.626,33 9.287,34 126.228,35 4.606,36 7.43,37 101.65,38 2.932,39 2.932,40 154.881,41 154.881,42 154.881,43 0.881,44 4.007,45 2,47 91.319,48 2.469,49 8.138,51 3.551,52 4.184,53 2.545,54 2.545,55 12.78,56 1.495,57 1.495,58 136.87,59 3.43,60 66.344,61 9.049,62 1,63 3,64 3.811,65 5.839}
{0 CHEMBL96712,1 114.831,2 0.912,3 3.695,4 3.695,5 -2.63,6 0.694,7 0.873,9 294.756,10 302.972,11 4.072,12 0.86,13 2,14 2,15 21.923,16 6.52,17 389.153,18 356,19 3.316,20 0.765,21 2.392,22 434.288,23 9,24 9,25 480.47,26 52.171,27 156.55,28 1,29 276,30 1.681,31 432.27,32 2.626,33 10.235,34 255.906,35 6.439,36 7.43,37 156.55,38 3.024,39 3.024,40 292.717,41 292.717,42 292.717,43 1.646,44 4.205,45 2,47 262.957,48 2.913,49 8.251,50 0.149,51 3.753,52 6.387,53 2.715,54 2.715,55 16.664,56 1.654,57 1.654,58 274.706,59 3.627,60 200.234,61 9.199,62 1,63 3,64 3.907,65 4.824}
{0 CHEMBL98262,1 144.681,2 1.14,3 3.926,4 3.926,5 -2.987,6 0.551,7 1.161,8 4,9 358.913,10 365.247,11 5.67,12 1.437,13 3,14 3,15 35.442,16 7.425,17 414.708,18 380,19 3.533,20 1.228,21 2.734,22 447.339,23 10,24 10,25 531.14,26 46.371,27 160.34,28 2,29 336,30 1.473,31 521.92,32 3.159,33 17.43,34 170.042,35 5.323,36 7.431,37 160.34,38 3.23,39 3.23,40 232.833,41 232.833,42 232.833,43 1.218,44 4.443,45 3,46 0.496,47 190.664,48 3.152,49 8.597,50 0.933,51 3.889,52 4.666,53 3.021,54 3.021,55 22.246,56 1.713,57 1.713,58 211.698,59 3.81,60 112.972,61 9.537,62 1,63 5,64 3.996,65 6.306}
{0 CHEMBL98838,1 144.681,2 1.177,3 3.918,4 3.918,5 -2.534,6 0.432,7 1.191,8 4,9 373.67,10 374.373,11 5.799,12 1.437,13 3,14 3,15 35.453,16 7.425,17 423.671,18 390,19 3.53,20 0.933,21 2.728,22 452.382,23 8,24 8,25 546.86,26 42.938,27 121.96,28 2,29 349,30 1.263,31 540.71,32 3.047,33 15.025,34 157.946,35 5.028,36 7.431,37 121.96,38 3.446,39 3.446,40 183.15,41 183.15,42 183.15,43 1.035,44 4.46,45 3,46 0.149,47 182.648,48 3.029,49 8.858,50 0.522,51 3.922,52 4.752,53 3.215,54 3.215,55 25.285,56 1.626,57 1.626,58 162.015,59 3.89,60 97.846,61 9.642,62 1,63 4,64 3.989,65 4.292}
{0 CHEMBL98906,1 144.681,2 1.183,3 3.925,4 3.925,5 -2.478,6 0.361,7 1.213,8 4,9 469.535,10 467.726,11 6.428,12 1.437,13 3,14 3,15 36.593,16 7.425,17 502.947,18 466,19 3.531,20 0.933,21 2.899,22 528.382,23 8,24 8,25 664.54,26 46.944,27 121.96,28 2,29 442,30 1.322,31 683.98,32 3.047,33 15.025,34 161.885,35 5.029,36 7.431,37 121.96,38 3.567,39 3.567,40 183.15,41 183.15,42 183.15,43 0.935,44 4.732,45 3,46 0.149,47 208.31,48 3.038,49 9.339,50 0.522,51 4.135,52 4.836,53 3.309,54 3.309,55 35.183,56 1.528,57 1.528,58 162.015,59 4,60 102.413,61 10.151,62 1,63 4,64 4.244,65 5.731}
{0 CHEMBL99224,1 144.681,2 1.208,3 3.924,4 3.924,5 -2.425,6 0.452,7 1.197,8 4,9 309.441,10 315.726,11 5.599,12 1.437,13 3,14 3,15 35.022,16 7.425,17 364.08,18 334,19 3.531,20 0.933,21 2.407,22 396.382,23 8,24 8,25 464.63,26 41.69,27 121.96,28 2,29 290,30 1.417,31 452.56,32 3.047,33 15.025,34 164.99,35 5.028,36 7.431,37 121.96,38 3.232,39 3.232,40 183.15,41 183.15,42 183.15,43 1.047,44 4.29,45 3,46 0.149,47 206.764,48 3.034,49 8.417,50 0.522,51 3.795,52 4.568,53 2.819,54 2.819,55 17.937,56 1.632,57 1.632,58 162.015,59 3.701,60 104.007,61 9.393,62 1,63 4,64 3.995,65 6.393}