@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL3820

@attribute molecule_id {CHEMBL1080994,CHEMBL1080995,CHEMBL1087650,CHEMBL1089082,CHEMBL1091356,CHEMBL1092754,CHEMBL1095626,CHEMBL1095627,CHEMBL1096435,CHEMBL1164184,CHEMBL1164268,CHEMBL1164315,CHEMBL1164323,CHEMBL1164508,CHEMBL1164519,CHEMBL1164577,CHEMBL1164578,CHEMBL1164579,CHEMBL1164790,CHEMBL1164970,CHEMBL1165042,CHEMBL1165056,CHEMBL1165213,CHEMBL1165284,CHEMBL1165294,CHEMBL1165587,CHEMBL1165653,CHEMBL1165692,CHEMBL1165817,CHEMBL1270959,CHEMBL1401244,CHEMBL1778354,CHEMBL1778355,CHEMBL1778356,CHEMBL1778357,CHEMBL1778358,CHEMBL1778359,CHEMBL1778360,CHEMBL1778361,CHEMBL1778362,CHEMBL1778363,CHEMBL1778364,CHEMBL1778365,CHEMBL1778366,CHEMBL1778367,CHEMBL1778368,CHEMBL1778369,CHEMBL1778370,CHEMBL1778371,CHEMBL1778372,CHEMBL1778373,CHEMBL1783727,CHEMBL1783734,CHEMBL1783735,CHEMBL1783736,CHEMBL1783737,CHEMBL1783738,CHEMBL1783739,CHEMBL1783740,CHEMBL1783741,CHEMBL1783742,CHEMBL1783743,CHEMBL1783744,CHEMBL1783745,CHEMBL1783746,CHEMBL1783747,CHEMBL1783748,CHEMBL1783749,CHEMBL1783750,CHEMBL1783751,CHEMBL1783752,CHEMBL1783753,CHEMBL1783754,CHEMBL1783755,CHEMBL1783756,CHEMBL1783757,CHEMBL1783758,CHEMBL1783759,CHEMBL1783760,CHEMBL1783761,CHEMBL191239,CHEMBL191802,CHEMBL192027,CHEMBL193157,CHEMBL193349,CHEMBL193718,CHEMBL193757,CHEMBL194102,CHEMBL194137,CHEMBL194232,CHEMBL194499,CHEMBL195121,CHEMBL195128,CHEMBL195295,CHEMBL195299,CHEMBL195431,CHEMBL2021545,CHEMBL2021551,CHEMBL2022798,CHEMBL2022799,CHEMBL2022800,CHEMBL2022801,CHEMBL2022802,CHEMBL2023050,CHEMBL2023051,CHEMBL2023052,CHEMBL2023053,CHEMBL2023054,CHEMBL2023055,CHEMBL2023056,CHEMBL2023057,CHEMBL2023058,CHEMBL2023059,CHEMBL2023060,CHEMBL2023061,CHEMBL2023062,CHEMBL2023063,CHEMBL2023064,CHEMBL2023432,CHEMBL2023433,CHEMBL2023434,CHEMBL2023435,CHEMBL2023436,CHEMBL2023437,CHEMBL2023438,CHEMBL2023439,CHEMBL205627,CHEMBL205816,CHEMBL2064666,CHEMBL206986,CHEMBL208197,CHEMBL210838,CHEMBL212529,CHEMBL2165615,CHEMBL2165616,CHEMBL2165617,CHEMBL2165618,CHEMBL2165619,CHEMBL2165620,CHEMBL2165621,CHEMBL2165622,CHEMBL2165623,CHEMBL2165624,CHEMBL2165625,CHEMBL2165626,CHEMBL2165627,CHEMBL2204646,CHEMBL2204647,CHEMBL2204648,CHEMBL2204649,CHEMBL2204650,CHEMBL2204651,CHEMBL2204652,CHEMBL2204653,CHEMBL2204654,CHEMBL2204655,CHEMBL2204656,CHEMBL2204657,CHEMBL2204658,CHEMBL2204659,CHEMBL2204660,CHEMBL2204661,CHEMBL2204662,CHEMBL2204663,CHEMBL2206775,CHEMBL2206776,CHEMBL2206777,CHEMBL2206778,CHEMBL2206779,CHEMBL2206780,CHEMBL2206781,CHEMBL2206782,CHEMBL2206783,CHEMBL2206784,CHEMBL2206785,CHEMBL2206786,CHEMBL2206787,CHEMBL2206788,CHEMBL2206789,CHEMBL2206790,CHEMBL2206791,CHEMBL2206792,CHEMBL2311574,CHEMBL2314794,CHEMBL2314795,CHEMBL2314796,CHEMBL2314797,CHEMBL2314798,CHEMBL2314799,CHEMBL2314800,CHEMBL2314801,CHEMBL2314802,CHEMBL2314803,CHEMBL2314804,CHEMBL2314805,CHEMBL2314806,CHEMBL2314807,CHEMBL2314808,CHEMBL2314809,CHEMBL2314810,CHEMBL2314811,CHEMBL2314812,CHEMBL2315020,CHEMBL2315021,CHEMBL2315022,CHEMBL2315023,CHEMBL2315024,CHEMBL2315025,CHEMBL2315026,CHEMBL2315027,CHEMBL2346667,CHEMBL2346751,CHEMBL2346752,CHEMBL2346753,CHEMBL2346754,CHEMBL2346755,CHEMBL2346756,CHEMBL2346757,CHEMBL2346758,CHEMBL2346759,CHEMBL2346760,CHEMBL2346761,CHEMBL2346762,CHEMBL2346763,CHEMBL2346764,CHEMBL2346875,CHEMBL2346876,CHEMBL2346877,CHEMBL2346878,CHEMBL2346879,CHEMBL2346880,CHEMBL2346881,CHEMBL2346882,CHEMBL2346883,CHEMBL2346884,CHEMBL2346885,CHEMBL2346886,CHEMBL2346887,CHEMBL2346888,CHEMBL2346889,CHEMBL2346890,CHEMBL2346891,CHEMBL2346892,CHEMBL2346893,CHEMBL2346894,CHEMBL2346895,CHEMBL2346896,CHEMBL2346897,CHEMBL2346898,CHEMBL2346899,CHEMBL2346900,CHEMBL2346901,CHEMBL2346902,CHEMBL2346903,CHEMBL2346904,CHEMBL2346905,CHEMBL2346906,CHEMBL2346907,CHEMBL2346908,CHEMBL2346909,CHEMBL239481,CHEMBL239692,CHEMBL371462,CHEMBL372361,CHEMBL372860,CHEMBL372883,CHEMBL373339,CHEMBL373364,CHEMBL379153,CHEMBL381434,CHEMBL391800,CHEMBL394709,CHEMBL394757,CHEMBL439344,CHEMBL446224,CHEMBL446928,CHEMBL451084,CHEMBL453735,CHEMBL473760,CHEMBL474011,CHEMBL474012,CHEMBL474013,CHEMBL474050,CHEMBL474204,CHEMBL474352,CHEMBL474353,CHEMBL474354,CHEMBL474549,CHEMBL474626,CHEMBL474632,CHEMBL474677,CHEMBL474748,CHEMBL474749,CHEMBL474750,CHEMBL474858,CHEMBL474859,CHEMBL475031,CHEMBL475032,CHEMBL475033,CHEMBL475057,CHEMBL475058,CHEMBL475229,CHEMBL479753,CHEMBL479947,CHEMBL479948,CHEMBL479974,CHEMBL480180,CHEMBL480725,CHEMBL481166,CHEMBL481167,CHEMBL483817,CHEMBL483818,CHEMBL484018,CHEMBL484019,CHEMBL489325,CHEMBL489333,CHEMBL489334,CHEMBL489335,CHEMBL489514,CHEMBL489710,CHEMBL489711,CHEMBL489712,CHEMBL490961,CHEMBL491121,CHEMBL491148,CHEMBL491151,CHEMBL491322,CHEMBL491323,CHEMBL491325,CHEMBL491329,CHEMBL491496,CHEMBL499520,CHEMBL505096,CHEMBL514512,CHEMBL514955,CHEMBL516371,CHEMBL516458,CHEMBL517534,CHEMBL519273,CHEMBL519934,CHEMBL523602,CHEMBL549417,CHEMBL549556,CHEMBL549829,CHEMBL550378,CHEMBL550443,CHEMBL550474,CHEMBL550739,CHEMBL550901,CHEMBL550904,CHEMBL551043,CHEMBL551144,CHEMBL551183,CHEMBL551445,CHEMBL551558,CHEMBL551648,CHEMBL551849,CHEMBL551911,CHEMBL551974,CHEMBL551977,CHEMBL552021,CHEMBL552083,CHEMBL552311,CHEMBL552350,CHEMBL552455,CHEMBL555131,CHEMBL556240,CHEMBL556309,CHEMBL558071,CHEMBL558207,CHEMBL558266,CHEMBL558885,CHEMBL558930,CHEMBL559057,CHEMBL559657,CHEMBL559851,CHEMBL559915,CHEMBL559975,CHEMBL560146,CHEMBL560204,CHEMBL560773,CHEMBL560970,CHEMBL561049,CHEMBL561172,CHEMBL561283,CHEMBL561404,CHEMBL561608,CHEMBL561652,CHEMBL561708,CHEMBL562311,CHEMBL562577,CHEMBL562878,CHEMBL563133,CHEMBL563231,CHEMBL563381,CHEMBL563600,CHEMBL563668,CHEMBL563986,CHEMBL564110,CHEMBL564241,CHEMBL564270,CHEMBL564282,CHEMBL564383,CHEMBL564609,CHEMBL564960,CHEMBL572840,CHEMBL572841,CHEMBL572842,CHEMBL573064,CHEMBL573065,CHEMBL573749,CHEMBL573750,CHEMBL573751,CHEMBL573963,CHEMBL573964,CHEMBL574879,CHEMBL574880,CHEMBL574884,CHEMBL575067,CHEMBL575087,CHEMBL575088,CHEMBL575278,CHEMBL575298,CHEMBL575705,CHEMBL575903,CHEMBL575904,CHEMBL575905,CHEMBL575918,CHEMBL576936,CHEMBL577592,CHEMBL578022,CHEMBL578638,CHEMBL584052,CHEMBL584378,CHEMBL584807,CHEMBL593002,CHEMBL594382,CHEMBL594633,CHEMBL594634,CHEMBL595122,CHEMBL595353,CHEMBL595362,CHEMBL596020,CHEMBL596026,CHEMBL596032,CHEMBL596480,CHEMBL604065,CHEMBL606041,CHEMBL606156,CHEMBL606370,CHEMBL606374,CHEMBL608393}
@attribute RBN numeric
@attribute PHI numeric
@attribute DBI numeric
@attribute GGI1 numeric
@attribute Eig11_AEA.dm. numeric
@attribute SAtot numeric
@attribute MAXDP numeric
@attribute ATSC8e numeric
@attribute Eta_alpha numeric
@attribute S1K numeric
@attribute SpMaxA_EA.ri. numeric
@attribute Eig03_EA.ed. numeric
@attribute SM12_AEA.dm. numeric
@attribute SM05_EA.bo. numeric
@attribute MATS8p numeric
@attribute RDCHI numeric
@attribute MATS8v numeric
@attribute SpAD_EA.bo. numeric
@attribute S3K numeric
@attribute Chi0_EA.ri. numeric
@attribute Chi1_EA.ri. numeric
@attribute SMTI numeric
@attribute X1 numeric
@attribute SpMax8_Bh.e. numeric
@attribute MSD numeric
@attribute TIC2 numeric
@attribute MDDD numeric
@attribute SssO numeric
@attribute S2K numeric
@attribute Chi1_AEA.bo. numeric
@attribute Chi1_AEA.dm. numeric
@attribute Chi1_AEA.ed. numeric
@attribute Chi1_AEA.ri. numeric
@attribute Chi1_EA numeric
@attribute Eig03_EA numeric
@attribute SM11_AEA.bo. numeric
@attribute AMR numeric
@attribute ON0V numeric
@attribute CENT numeric
@attribute SpMax7_Bh.i. numeric
@attribute TIC1 numeric
@attribute LOC numeric
@attribute X0v numeric
@attribute SM02_AEA.bo. numeric
@attribute TIC3 numeric
@attribute SMTIV numeric
@attribute SpAD_AEA.dm. numeric
@attribute Chi1_EA.ed. numeric
@attribute Eig08_AEA.ed. numeric
@attribute IDMT numeric
@attribute Xu numeric
@attribute SpAD_AEA.bo. numeric
@attribute MPC01 numeric
@attribute MWC01 numeric
@attribute nBO numeric
@attribute SRW02 numeric
@attribute IDET numeric
@attribute Eig07_AEA.ed. numeric
@attribute MW numeric
@attribute piPC01 numeric
@attribute SCBO numeric
@attribute GMTI numeric
@attribute S0K numeric
@attribute JGT numeric
@attribute DLS_03 numeric
@attribute Chi0_EA.ed. numeric
@attribute pXC50 numeric

@data
{1 6,2 7.035,3 3.937,4 8,5 1.497,6 622.651,7 6.192,8 0.237,9 17.9,10 25.044,11 0.078,12 10.126,13 10.126,14 8.595,15 -0.086,16 4.652,17 -0.037,18 83.47,19 5.121,20 25.506,21 20.943,22 20586,23 17.863,24 3.174,25 8.139,26 324.293,27 39.21,29 10.394,30 20.129,31 20.129,32 20.129,33 20.129,34 20.129,35 2.99,36 2.99,37 148.107,38 12.3,39 2640,40 3.358,41 255.48,42 0.672,43 21.587,44 5.321,45 355.944,46 33494,47 65.315,48 6.693,49 4.975,50 42765.1,51 33.751,52 63.719,53 3.738,54 3.738,55 41,56 4.419,57 2612.92,58 5.148,59 512.69,60 4.06,61 57,62 22052,63 186.75,64 0.452,65 0.83,66 14.427,67 5.886}
{0 CHEMBL1080995,1 6,2 7.272,3 4,4 8.5,5 1.729,6 648.728,7 6.246,8 0.239,9 18.4,10 26.002,11 0.077,12 10.412,13 10.412,14 8.647,15 -0.095,16 4.668,17 -0.075,18 85.238,19 5.22,20 26.012,21 21.419,22 21598,23 18.273,24 3.22,25 8.099,26 338.031,27 40.51,29 10.628,30 20.597,31 20.597,32 20.597,33 20.597,34 20.597,35 3.056,36 3.056,37 152.698,38 13.217,39 2882,40 3.386,41 266.755,42 0.697,43 22.509,44 5.345,45 373.683,46 34840,47 67.115,48 6.764,49 4.978,50 45458.7,51 34.36,52 65.244,53 3.761,54 3.761,55 42,56 4.443,57 2751.35,58 5.249,59 526.72,60 4.078,61 58,62 23051,63 193.421,64 0.474,65 0.83,66 14.601,67 4.301}
{0 CHEMBL1087650,1 4,2 5.052,3 2.646,4 6,5 1.495,6 563.859,7 4.183,8 0.218,9 17.233,10 21.547,11 0.078,12 10.093,13 10.093,14 8.275,15 -0.172,16 4.655,17 -0.151,18 85.922,19 3.604,20 25.494,21 21.578,22 18756,23 17.653,24 2.96,25 7.429,26 296.087,27 40.784,29 8.44,30 20.8,31 20.8,32 20.8,33 20.8,34 20.8,35 2.903,36 2.903,37 140.621,38 11.483,39 2416,40 3.297,41 220.995,42 0.375,43 19.989,44 5.308,45 336.896,46 28290,47 64.923,48 6.946,49 5.026,50 36669,51 32.627,52 65.732,53 3.761,54 3.761,55 42,56 4.443,57 2382.33,58 5.125,59 474.61,60 4.043,61 56,62 21087,63 178.117,64 0.359,65 1,66 14.531,67 5.387}
{0 CHEMBL1089082,1 4,2 5.507,3 3.808,4 7.5,5 1.427,6 492.05,7 5.603,8 0.456,9 15.69,10 21.665,11 0.081,12 9.123,13 9.123,14 8.22,15 -0.203,16 4.47,17 -0.133,18 79.695,19 4.517,20 23.367,21 19.716,22 16611,23 16.381,24 2.92,25 7.813,26 218.909,27 37.142,29 8.643,30 18.816,31 18.816,32 18.816,33 18.816,34 18.816,35 2.848,36 2.848,37 120.304,38 9.145,39 2090,40 3.25,41 164.305,42 0.662,43 17.491,44 5.231,45 262.683,46 31292,47 58.984,48 6.382,49 4.563,50 33383.4,51 31.548,52 59.075,53 3.664,54 3.664,55 38,56 4.344,57 2172.77,58 4.68,59 459.46,60 3.989,61 53,62 17789,63 164.219,64 0.419,65 1,66 13.367,67 4.301}
{0 CHEMBL1091356,1 7,2 9.801,3 4.183,4 9,5 2.271,6 820.238,7 5.994,8 0.781,9 22.033,10 32.11,11 0.057,12 9.552,13 9.552,14 7.917,15 -0.207,16 5.676,17 -0.215,18 95.299,19 7.351,20 33.038,21 27.538,22 45792,23 22.907,24 3.394,25 11.25,26 435.945,27 74.604,28 11.414,29 14.346,30 26.186,31 26.186,32 26.186,33 26.186,34 26.186,35 2.942,36 2.942,37 176.044,38 16.617,39 5235,40 3.597,41 321.726,42 0.539,43 27.23,44 5.449,45 476.7,46 68514,47 82.633,48 8.978,49 5.254,50 100231,51 41.817,52 80.664,53 3.989,54 3.989,55 53,56 4.673,57 4769.4,58 5.37,59 640.87,60 4.174,61 64,62 50360,63 237.066,64 0.378,65 0.67,66 18.85,67 4.301}
{0 CHEMBL1092754,1 5,2 5.757,3 3.606,4 6,5 1.691,6 549.656,7 5.867,8 0.549,9 15.867,10 22.047,11 0.086,12 8.825,13 8.825,14 8.368,15 -0.012,16 4.39,17 0.003,18 77.572,19 3.94,20 23.5,21 19.273,22 15725,23 16.474,24 3.059,25 7.439,26 275.22,27 38.419,28 5.742,29 8.878,30 18.698,31 18.698,32 18.698,33 18.698,34 18.698,35 2.831,36 2.831,37 127.425,38 10.217,39 2234,40 3.201,41 218.66,42 1.155,43 18.279,44 5.223,45 295.22,46 27619,47 60.782,48 6.312,49 4.855,50 31948,51 31.272,52 58.203,53 3.664,54 3.664,55 38,56 4.344,57 2134.19,58 5.074,59 455.5,60 3.97,61 52,62 16618,63 168.974,64 0.416,65 1,66 13.497,67 4.301}
{0 CHEMBL1095626,1 4,2 6.065,3 3,4 5.5,5 1.461,6 534.74,7 4.854,8 0.478,9 14.8,10 21.284,11 0.087,12 8.919,13 8.919,14 8.028,15 -0.223,16 4.25,17 -0.226,18 67.542,19 4.246,20 22.848,21 18.809,22 12832,23 15.635,24 3.111,25 6.707,26 280.321,27 34.078,28 10.399,29 9.119,30 17.706,31 17.706,32 17.706,33 17.706,34 17.706,35 2.763,36 2.763,37 119.746,38 10.783,39 1858,40 3.206,41 223.028,42 0.789,43 18.106,44 5.088,45 292.321,46 21105,47 55.94,48 6.058,49 4.4,50 25414.7,51 29.488,52 54.559,53 3.611,54 3.611,55 36,56 4.29,57 1794.7,58 4.788,59 437.56,60 3.829,61 45,62 13625,63 148,64 0.378,65 1,66 12.914,67 4.301}
{0 CHEMBL1095627,1 5,2 6.774,3 3.873,4 8,5 1.51,6 620.959,7 5.501,8 0.513,9 16.3,10 24.138,11 0.08,12 9.597,13 9.597,14 8.112,15 -0.098,16 4.449,17 -0.049,18 72.931,19 5.335,20 24.036,21 20.445,22 16750,23 16.782,24 3.111,25 7.456,26 318.663,27 41.851,28 11.108,29 9.823,30 19.283,31 19.283,32 19.283,33 19.283,34 19.283,35 2.867,36 2.867,37 133.55,38 13.033,39 2419,40 3.226,41 249.372,42 0.987,43 20.606,44 5.176,45 330.663,46 26223,47 61.251,48 6.463,49 4.786,50 34559.7,51 31.951,52 60.189,53 3.689,54 3.689,55 39,56 4.369,57 2252.44,58 5.045,59 479.65,60 3.892,61 48,62 17642,63 162.77,64 0.439,65 1,66 13.513,67 4.301}
{0 CHEMBL1096435,1 6,2 5.779,3 4,4 6,5 0.719,6 473.177,7 5.818,8 0.605,9 12.467,10 18.378,11 0.112,12 7.24,13 7.24,14 8.021,15 -0.038,16 3.668,17 -0.052,18 52.15,19 4.814,20 17.045,21 14.303,22 6602,23 11.932,24 2.854,25 5.815,26 205.092,27 22.454,29 7.861,30 13.345,31 13.345,32 13.345,33 13.345,34 13.345,35 2.551,36 2.551,37 99.968,38 8.45,39 1059,40 2.979,41 165.343,42 0.795,43 15.776,44 4.842,45 224.311,46 11561,47 42.503,48 4.638,49 3.414,50 12355.8,51 24.121,52 40.563,53 3.332,54 3.332,55 27,56 4.007,57 1004.78,58 3.847,59 378.56,60 3.597,61 35.5,62 6731,63 106.096,64 0.468,65 1,66 9.727,67 6.231}
{0 CHEMBL1164184,1 7,2 6.215,3 4.123,4 7,5 1.2,6 512.547,7 5.98,8 0.868,9 14.086,10 20.741,11 0.096,12 7.679,13 7.679,14 8.179,15 -0.036,16 4.075,17 -0.042,18 60.168,19 5.156,20 20.197,21 17.196,22 10228,23 13.931,24 3.09,25 6.513,26 235.204,27 28.756,28 5.41,29 8.69,30 15.786,31 15.786,32 15.786,33 15.786,34 15.786,35 2.684,36 2.684,37 109.498,38 9.01,39 1586,40 3.206,41 191.717,42 0.562,43 17.476,44 4.996,45 254.423,46 18451,47 51.287,48 5.36,49 4.391,50 19670.9,51 27.45,52 48.793,53 3.497,54 3.497,55 32,56 4.174,57 1433.42,58 4.599,59 438.59,60 3.726,61 40.5,62 10808,63 128.881,64 0.471,65 1,66 11.278,67 7.051}
{0 CHEMBL1164268,1 7,2 7.108,3 4.183,4 7,5 1,6 540.446,7 6.072,8 0.744,9 13.8,10 21.259,11 0.101,12 7.892,13 7.892,14 8.095,15 -0.031,16 3.893,17 -0.065,18 56.537,19 5.779,20 19.184,21 15.882,22 8987,23 13.364,24 3.063,25 6.394,26 257.744,27 27.255,28 5.436,29 9.362,30 14.756,31 14.756,32 14.756,33 14.756,34 14.756,35 2.716,36 2.716,37 111.335,38 10.033,39 1492,40 3.206,41 195.961,42 0.887,43 17.814,44 4.925,45 267.254,46 15625,47 47.325,48 5.106,49 3.809,50 17784.6,51 26.628,52 44.81,53 3.434,54 3.434,55 30,56 4.111,57 1325.41,58 4.557,59 422.62,60 3.676,61 38.5,62 9099,63 124.606,64 0.479,65 1,66 10.863,67 6}
{0 CHEMBL1164315,1 8,2 7.921,3 4.528,4 8,5 1.2,6 596.356,7 6.206,8 0.681,9 14.8,10 23.214,11 0.095,12 8.018,13 8.018,14 8.107,15 -0.023,16 4.055,17 -0.023,18 59.765,19 6.775,20 20.176,21 16.95,22 10999,23 14.219,24 3.092,25 6.896,26 286.639,27 31.996,28 5.455,29 10.236,30 15.829,31 15.829,32 15.829,33 15.829,34 15.829,35 2.747,36 2.747,37 120.484,38 11.367,39 1814,40 3.206,41 212.01,42 1.052,43 19.391,44 4.982,45 298.149,46 18405,47 50.991,48 5.521,49 4.321,50 22465.1,51 28.334,52 48.308,53 3.497,54 3.497,55 32,56 4.174,57 1582.15,58 4.578,59 450.68,60 3.726,61 40.5,62 11093,63 135.207,64 0.494,65 1,66 11.513,67 6.45}
{0 CHEMBL1164323,1 7,2 7.27,3 4.123,4 7,5 1.2,6 579.653,7 6.32,8 0.733,9 15.8,10 22.942,11 0.087,12 9.22,13 9.22,14 8.191,15 -0.008,16 4.314,17 -0.017,18 68.638,19 5.975,20 22.086,21 18.432,22 13600,23 15.398,24 3.089,25 7.239,26 266.214,27 35.172,28 5.466,29 10.14,30 17.317,31 17.317,32 17.317,33 17.317,34 17.317,35 2.898,36 2.898,37 126.881,38 10.45,39 2092,40 3.206,41 210.656,42 0.688,43 19.493,44 5.101,45 292.253,46 23263,47 55.239,48 6.088,49 4.319,50 27395,51 29.966,52 53.004,53 3.584,54 3.584,55 35,56 4.263,57 1844.13,58 4.588,59 470.66,60 3.861,61 46.5,62 14272,63 146,64 0.425,65 1,66 12.72,67 6.14}
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{0 CHEMBL191239,1 8,2 7.346,3 4.062,4 7.5,5 1.537,6 542.064,7 5.859,8 0.931,9 14.252,10 22.413,11 0.088,12 8.229,13 8.229,14 7.7,15 0.015,16 4.198,17 0.022,18 63.83,19 6.351,20 20.803,21 16.983,22 12570,23 14.813,24 2.9,25 7.423,26 242.384,27 35.671,28 11.396,29 10.16,30 16.289,31 16.289,32 16.289,33 16.289,34 16.289,35 2.771,36 2.771,37 111.15,38 9.876,39 1854,40 3.132,41 196.145,42 1.033,43 16.963,44 5.027,45 270.913,46 23347,47 51.087,48 5.778,49 4.199,50 25886.2,51 29.384,52 49.329,53 3.526,54 3.526,55 33,56 4.205,57 1755.33,58 4.391,59 424.46,60 3.807,61 44,62 12751,63 151.58,64 0.464,65 1,66 12.097,67 7}
{0 CHEMBL191802,1 7,2 6.556,3 3.317,4 5,5 1,6 494.276,7 3.919,8 0.177,9 13.233,10 19.059,11 0.097,12 6.981,13 6.981,14 7.479,15 0.021,16 3.992,17 -0.049,18 57.288,19 5.379,20 18.903,21 14.837,22 8995,23 13.152,24 2.854,25 6.948,26 205.355,27 28.176,28 6.003,29 9.288,30 14.249,31 14.249,32 14.249,33 14.249,34 14.249,35 2.513,36 2.513,37 109.725,38 8.483,39 1343,40 3.116,41 157.149,42 0.806,43 15.648,44 4.902,45 236.574,46 15810,47 45.954,48 5.21,49 3.636,50 17363,51 26.336,52 42.731,53 3.401,54 3.401,55 29,56 4.078,57 1291.28,58 3.794,59 377.49,60 3.714,61 40,62 9219,63 121.627,64 0.373,65 1,66 11.103,67 5.495}
{0 CHEMBL192027,1 6,2 5.141,3 3.082,4 5,5 0.459,6 387.779,7 3.734,8 0.366,9 9.567,10 15.288,11 0.125,12 6.826,13 6.826,14 7.255,15 0.266,16 3.346,17 0.455,18 41.714,19 4.179,20 14.66,21 11.39,22 4409,23 10.118,24 2.707,25 5.9,26 143.488,27 17.17,28 15.909,29 7.062,30 10.722,31 10.722,32 10.722,33 10.722,34 10.722,35 2.378,36 2.378,37 74.29,38 7.067,39 557,40 2.849,41 123.488,42 1.066,43 11.699,44 4.595,45 153.098,46 8453,47 33.119,48 3.814,49 3.193,50 7946.51,51 21.139,52 31.796,53 3.135,54 3.135,55 22,56 3.807,57 720.663,58 3.414,59 289.31,60 3.401,61 29,62 4306,63 84.239,64 0.465,65 1,66 8.349,67 5}
{0 CHEMBL193157,1 10,2 7.698,3 3.536,4 6,5 1.174,6 570.5,7 3.986,8 0.362,9 15.567,10 22.529,11 0.076,12 7.029,13 7.029,14 7.549,15 -0.114,16 4.621,17 -0.099,18 70.783,19 6.91,20 23.078,21 18.525,22 16023,23 16.153,24 3.05,25 8.031,26 212.079,27 42.382,28 17.753,29 11.276,30 17.833,31 17.833,32 17.833,33 17.833,34 17.833,35 2.536,36 2.536,37 124.2,38 9.9,39 2330,40 3.225,41 170.834,42 0.551,43 17.886,44 5.1,45 256.192,46 27377,47 53.837,48 6.699,49 3.797,50 32622.5,51 31.236,52 52.832,53 3.611,54 3.611,55 36,56 4.29,57 2036.86,58 4.974,59 441.51,60 3.912,61 49,62 16896,63 138.465,64 0.328,65 0.83,66 13.872,67 5}
{0 CHEMBL193349,1 9,2 8.569,3 3.937,4 6.5,5 1.675,6 619.543,7 6.162,8 0.92,9 17.395,10 25.671,11 0.077,12 8.547,13 8.547,14 7.949,15 -0.116,16 4.599,17 -0.14,18 77.033,19 6.634,20 24.794,21 20.186,22 18341,23 17.419,24 3.128,25 7.747,26 241.497,27 43.833,28 12.064,29 12.017,30 19.205,31 19.205,32 19.205,33 19.205,34 19.205,35 2.792,36 2.792,37 135.989,38 10.019,39 3018,40 3.262,41 199.803,42 0.683,43 20.292,44 5.204,45 283.602,46 34676,47 60.085,48 6.775,49 4.214,50 39010.6,51 32.954,52 57.974,53 3.689,54 3.689,55 39,56 4.369,57 2392.21,58 4.497,59 523.39,60 3.989,61 53,62 19079,63 186.117,64 0.401,65 0.67,66 14.399,67 5}
{0 CHEMBL193718,1 9,2 7.711,3 4.123,4 7,5 1.304,6 559.987,7 5.733,8 0.733,9 14.367,10 22.413,11 0.088,12 7.481,13 7.481,14 7.561,15 0.041,16 4.282,17 0.014,18 63.064,19 6.883,20 21.05,21 17.031,22 13014,23 14.902,24 2.878,25 7.689,26 256.848,27 37.935,28 11.607,29 10.665,30 16.328,31 16.328,32 16.328,33 16.328,34 16.328,35 2.539,36 2.539,37 113.531,38 10.183,39 1922,40 3.142,41 203.085,42 0.999,43 17.24,44 5.014,45 277.254,46 23224,47 50.271,48 5.981,49 4.028,50 26691.4,51 29.605,52 48.837,53 3.526,54 3.526,55 33,56 4.205,57 1784.8,58 4.388,59 421.49,60 3.807,61 44,62 13271,63 147.58,64 0.423,65 0.83,66 12.444,67 5.75}
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{0 CHEMBL194137,1 10,2 8.372,3 4.243,4 7,5 1.448,6 591.383,7 5.76,8 0.701,9 14.967,10 23.455,11 0.085,12 7.479,13 7.479,14 7.561,15 0.063,16 4.4,17 -0.011,18 64.591,19 7.468,20 21.684,21 17.436,22 14529,23 15.402,24 3.02,25 8.083,26 272.279,27 41.313,28 11.665,29 11.422,30 16.828,31 16.828,32 16.828,33 16.828,34 16.828,35 2.531,36 2.531,37 120.289,38 10.817,39 2128,40 3.155,41 210.384,42 0.981,43 18.077,44 5.034,45 301.498,46 24924,47 51.717,48 6.229,49 4.029,50 30124.8,51 30.547,52 50.128,53 3.555,54 3.555,55 34,56 4.234,57 1943.74,58 4.388,59 434.53,60 3.829,61 45,62 14840,63 154,64 0.413,65 0.83,66 12.944,67 6.377}
{0 CHEMBL194232,1 10,2 7.73,3 3.536,4 6,5 1.082,6 581.461,7 4.027,8 0.291,9 15.733,10 22.566,11 0.077,12 7.029,13 7.029,14 7.549,15 -0.002,16 4.621,17 -0.001,18 70.783,19 6.929,20 22.955,21 18.319,22 16023,23 16.153,24 3.083,25 8.031,26 231.65,27 42.382,28 12.117,29 11.303,30 17.833,31 17.833,32 17.833,33 17.833,34 17.833,35 2.536,36 2.536,37 126.726,38 10.233,39 2330,40 3.232,41 180.405,42 0.551,43 18.185,44 5.1,45 274.253,46 26641,47 53.642,48 6.699,49 3.797,50 32622.5,51 31.236,52 52.832,53 3.611,54 3.611,55 36,56 4.29,57 2036.86,58 4.974,59 439.54,60 3.912,61 49,62 16896,63 138.465,64 0.328,65 0.83,66 13.872,67 5}
{0 CHEMBL194499,1 8,2 7.236,3 4,4 7,5 1,6 545.886,7 5.705,8 0.725,9 13.467,10 21.284,11 0.094,12 7.498,13 7.498,14 7.468,15 -0.002,16 4.081,17 -0.028,18 56.544,19 6.278,20 19.545,21 15.914,22 10571,23 13.902,24 2.874,25 7.102,26 254.855,27 32.518,28 11.723,29 9.859,30 15.328,31 15.328,32 15.328,33 15.328,34 15.328,35 2.568,36 2.568,37 107.464,38 10.233,39 1567,40 3.134,41 197.797,42 1.038,43 16.682,44 4.92,45 274.465,46 17700,47 47.691,48 5.504,49 4.027,50 21130.3,51 27.826,52 45.837,53 3.466,54 3.466,55 31,56 4.143,57 1506.18,58 4.386,59 398.5,60 3.689,61 39,62 10762,63 134.881,64 0.447,65 1,66 11.458,67 6.187}
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{0 CHEMBL195431,1 9,2 7.833,3 4.123,4 7,5 1.101,6 571.962,7 5.728,8 0.665,9 13.967,10 22.261,11 0.091,12 7.481,13 7.481,14 7.468,15 -0.013,16 4.198,17 -0.046,18 57.647,19 6.81,20 20.27,21 16.431,22 11843,23 14.402,24 2.905,25 7.453,26 267.424,27 35.707,28 11.709,29 10.556,30 15.828,31 15.828,32 15.828,33 15.828,34 15.828,35 2.552,36 2.552,37 112.142,38 10.733,39 1758,40 3.144,41 204.595,42 1.018,43 17.389,44 4.942,45 294.253,46 19490,47 48.849,48 5.731,49 4.028,50 23964.7,51 28.77,52 47.08,53 3.497,54 3.497,55 32,56 4.174,57 1646.98,58 4.388,59 412.53,60 3.714,61 40,62 12081,63 141.207,64 0.437,65 0.83,66 11.944,67 6.77}
{0 CHEMBL2021545,1 11,2 8.945,3 4.69,4 8.5,5 1.318,6 601.983,7 5.777,8 0.932,9 15.8,10 25.276,11 0.087,12 7.791,13 7.791,14 8.238,15 0.016,16 4.302,17 -0.008,18 66.921,19 7.063,20 23.01,21 18.564,22 14392,23 15.839,24 3.095,25 7.5,26 278.559,27 39.409,28 21.568,29 11.678,30 17.104,31 17.104,32 17.104,33 17.104,34 17.104,35 2.645,36 2.645,37 124.003,38 11.033,39 2194,40 3.301,41 222.236,42 1.465,43 19.942,44 5.089,45 302.21,46 27347,47 53.635,48 5.98,49 4.702,50 30605.3,51 30.761,52 50.936,53 3.584,54 3.584,55 35,56 4.263,57 1983,58 4.862,59 492.62,60 3.861,61 46.5,62 14470,63 160.465,64 0.471,65 0.83,66 13.035,67 6.886}
{0 CHEMBL2021551,1 11,2 8.945,3 4.69,4 8.5,5 1.318,6 601.983,7 5.777,8 0.932,9 15.8,10 25.276,11 0.087,12 7.791,13 7.791,14 8.238,15 0.016,16 4.302,17 -0.008,18 66.921,19 7.063,20 23.01,21 18.564,22 14392,23 15.839,24 3.095,25 7.5,26 278.559,27 39.409,28 21.568,29 11.678,30 17.104,31 17.104,32 17.104,33 17.104,34 17.104,35 2.645,36 2.645,37 124.003,38 11.033,39 2194,40 3.301,41 222.236,42 1.465,43 19.942,44 5.089,45 302.21,46 27347,47 53.635,48 5.98,49 4.702,50 30605.3,51 30.761,52 50.936,53 3.584,54 3.584,55 35,56 4.263,57 1983,58 4.862,59 492.62,60 3.861,61 46.5,62 14470,63 160.465,64 0.471,65 0.83,66 13.035,67 5.921}
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{0 CHEMBL2023053,1 9,2 8.523,3 4.583,4 9.5,5 1.574,6 626.627,7 5.789,8 0.696,9 17.319,10 26.427,11 0.083,12 7.751,13 7.751,14 8.32,15 0.034,16 4.641,17 0.093,18 75.72,19 6.991,20 24.586,21 20.7,22 19431,23 17.202,24 3.143,25 8.333,26 309.999,27 47.062,28 11.712,29 11.61,30 19.276,31 19.276,32 19.276,33 19.276,34 19.276,35 2.644,36 2.644,37 137.277,38 11.626,39 2776,40 3.323,41 246.931,42 1.149,43 21.442,44 5.211,45 331.65,46 35122,47 60.129,48 6.719,49 4.834,50 41221.7,51 33.29,52 58.746,53 3.689,54 3.689,55 39,56 4.369,57 2480.23,58 4.972,59 531.68,60 3.961,61 51.5,62 20217,63 178.117,64 0.484,65 0.67,66 13.992,67 7.281}
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{0 CHEMBL2023055,1 10,2 9.686,3 4.69,4 9.5,5 1.574,6 692.761,7 6.069,8 0.699,9 18.367,10 28.399,11 0.078,12 7.745,13 7.745,14 8.32,15 0.04,16 4.807,17 0.063,18 78.083,19 7.721,20 26.287,21 21.681,22 22782,23 18.24,24 3.209,25 8.853,26 347.572,27 51.939,28 17.168,29 12.96,30 20.186,31 20.186,32 20.186,33 20.186,34 20.186,35 2.642,36 2.642,37 148.586,38 13.15,39 3186,40 3.325,41 269.424,42 1.196,43 23.18,44 5.243,45 365.224,46 39187,47 62.71,48 7.062,49 4.868,50 49428.8,51 34.892,52 61.014,53 3.738,54 3.738,55 41,56 4.419,57 2846.58,58 5.213,59 557.75,60 3.998,61 53.5,62 23622,63 187.421,64 0.469,65 0.67,66 14.938,67 7.044}
{0 CHEMBL2023056,1 10,2 9.86,3 4.743,4 10.5,5 1.812,6 695.595,7 6.067,8 0.917,9 18.652,10 29.311,11 0.077,12 7.851,13 7.851,14 8.372,15 0.039,16 4.859,17 0.063,18 80.12,19 7.932,20 26.801,21 22.329,22 24392,23 18.633,24 3.209,25 9.018,26 347.572,27 54.617,28 17.076,29 13.119,30 20.669,31 20.669,32 20.669,33 20.669,34 20.669,35 2.711,36 2.711,37 148.757,38 13.21,39 3473,40 3.33,41 274.114,42 1.207,43 23.48,44 5.269,45 365.224,46 43780,47 64.891,48 7.133,49 4.87,50 53540.3,51 35.625,52 62.804,53 3.761,54 3.761,55 42,56 4.443,57 3021.33,58 5.228,59 575.74,60 4.016,61 54.5,62 25225,63 194.131,64 0.497,65 0.67,66 15.071,67 7.19}
{0 CHEMBL2023057,1 10,2 8.458,3 4.69,4 10.5,5 1.818,6 677.183,7 6.184,8 0.622,9 19.419,10 28.163,11 0.069,12 9.077,13 9.077,14 8.494,15 0.047,16 5.053,17 0.071,18 87.909,19 7.436,20 27.443,21 23.265,22 26872,23 19.168,24 3.294,25 9.144,26 324.864,27 58.775,28 11.835,29 12.013,30 21.73,31 21.73,32 21.73,33 21.73,34 21.73,35 2.899,36 2.899,37 153.707,38 12.676,39 3850,40 3.351,41 259.408,42 1.076,43 23.52,44 5.355,45 356.918,46 47162,47 69.188,48 7.4,49 5.003,50 57849.5,51 36.409,52 66.934,53 3.807,54 3.807,55 44,56 4.489,57 3188.64,58 5.23,59 578.73,60 4.103,61 59.5,62 28602,63 198.877,64 0.474,65 0.67,66 15.446,67 6.602}
{0 CHEMBL2023058,1 10,2 8.224,3 5.196,4 11.5,5 1.612,6 697.343,7 6.102,8 0.515,9 18.133,10 27.501,11 0.082,12 9.148,13 9.148,14 8.457,15 0.05,16 4.681,17 0.019,18 78.282,19 7.501,20 24.628,21 21.155,22 20794,23 17.413,24 3.263,25 8.44,26 329.043,27 49.778,28 11.85,29 11.064,30 19.75,31 19.75,32 19.75,33 19.75,34 19.75,35 2.95,36 2.95,37 147.02,38 13.95,39 3025,40 3.345,41 259.69,42 1.268,43 23.333,44 5.259,45 346.694,46 34196,47 63.984,48 6.521,49 4.878,50 44737.7,51 34.012,52 61.749,53 3.714,54 3.714,55 40,56 4.394,57 2626.75,58 5.251,59 540.76,60 3.98,61 52.5,62 21528,63 177.995,64 0.547,65 0.67,66 13.641,67 6.051}
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{0 CHEMBL489710,1 4,2 4.474,3 2.828,4 4.5,5 0.618,6 367.934,7 5.26,8 0.332,9 10.8,10 15.092,11 0.124,12 7.198,13 7.198,14 7.56,15 -0.061,16 3.48,17 -0.124,18 48.426,19 3.518,20 15.442,21 12.919,22 4890,23 10.631,24 2.488,25 5.551,26 154.955,27 17.521,29 6.522,30 11.839,31 11.839,32 11.839,33 11.839,34 11.839,35 2.539,36 2.539,37 90.803,38 6.25,39 654,40 2.801,41 138.591,42 0.595,43 13.058,44 4.736,45 159.71,46 9552,47 38.594,48 4.173,49 3.416,50 8523.26,51 21.742,52 36.208,53 3.219,54 3.219,55 24,56 3.892,57 766.497,58 3.839,59 333.44,60 3.526,61 33,62 5048,63 98.107,64 0.427,65 1,66 8.762,67 6.616}
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{0 CHEMBL490961,1 5,2 5.286,3 3.082,4 5.5,5 0.809,6 427.932,7 5.598,8 0.279,9 11.9,10 17.082,11 0.115,12 7.673,13 7.673,14 7.678,15 -0.222,16 3.608,17 -0.256,18 51.564,19 4.03,20 16.849,21 13.965,22 6074,23 11.563,24 2.798,25 5.845,26 187.858,27 20.889,29 7.426,30 12.76,31 12.76,32 12.76,33 12.76,34 12.76,35 2.681,36 2.681,37 100.949,38 8.217,39 880,40 3.042,41 161.983,42 0.813,43 15.033,44 4.804,45 198.612,46 10975,47 41.638,48 4.397,49 3.798,50 11123.2,51 23.395,52 39.198,53 3.296,54 3.296,55 26,56 3.97,57 938.64,58 4.06,59 360.51,60 3.584,61 35,62 6210,63 110.039,64 0.462,65 1,66 9.417,67 5.959}
{0 CHEMBL491121,1 4,2 4.521,3 2.828,4 4.5,5 0.618,6 373.032,7 5.288,8 0.293,9 10.9,10 15.154,11 0.124,12 7.198,13 7.198,14 7.56,15 -0.052,16 3.48,17 -0.151,18 48.426,19 3.545,20 15.498,21 13.029,22 4890,23 10.631,24 2.504,25 5.551,26 161.464,27 17.521,29 6.563,30 11.839,31 11.839,32 11.839,33 11.839,34 11.839,35 2.539,36 2.539,37 90.864,38 6.383,39 654,40 2.81,41 141.199,42 0.595,43 13.188,44 4.736,45 166.219,46 9266,47 38.594,48 4.173,49 3.416,50 8523.26,51 21.742,52 36.208,53 3.219,54 3.219,55 24,56 3.892,57 766.497,58 3.839,59 332.45,60 3.526,61 33,62 5048,63 98.107,64 0.427,65 1,66 8.762,67 6.655}
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{0 CHEMBL491151,1 4,2 5.324,3 3.808,4 7.5,5 0.877,6 407.61,7 5.367,8 0.563,9 12.257,10 18.832,11 0.106,12 8.751,13 8.751,14 7.838,15 -0.138,16 3.725,17 -0.139,18 55.718,19 4.434,20 17.626,21 15.423,22 7732,23 12.236,24 2.701,25 6.469,26 176.485,27 23.527,29 7.35,30 13.797,31 13.797,32 13.797,33 13.797,34 13.797,35 2.829,36 2.829,37 96.466,38 6.979,39 1062,40 3.096,41 160.121,42 0.85,43 14.745,44 4.898,45 181.24,46 16710,47 44.848,48 4.531,49 4.055,50 14711.6,51 25.2,52 43.665,53 3.367,54 3.367,55 28,56 4.043,57 1157.87,58 4.397,59 400.45,60 3.638,61 37,62 7860,63 117.457,64 0.549,65 1,66 9.536,67 5.569}
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{0 CHEMBL491325,1 4,2 4.549,3 2.828,4 5,5 0.565,6 384.703,7 5.258,8 0.193,9 11,10 15.192,11 0.118,12 7.536,13 7.536,14 7.524,15 -0.116,16 3.514,17 -0.197,18 48.486,19 3.745,20 15.399,21 12.976,22 5067,23 10.614,24 2.63,25 5.808,26 162.015,27 18.05,29 6.588,30 11.855,31 11.855,32 11.855,33 11.855,34 11.855,35 2.631,36 2.631,37 90.756,38 7.05,39 650,40 2.911,41 138.505,42 0.595,43 13.611,44 4.736,45 170.015,46 9286,47 38.694,48 4.176,49 3.471,50 8826.08,51 21.898,52 36.388,53 3.219,54 3.219,55 24,56 3.892,57 787.025,58 3.916,59 331.46,60 3.526,61 33,62 5236,63 96.107,64 0.439,65 1,66 8.722,67 5.481}
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{0 CHEMBL596480,1 7,2 6.502,3 4.359,4 8.5,5 1.225,6 563.407,7 5.081,8 0.458,9 15.767,10 22.967,11 0.084,12 9.178,13 9.178,14 8.503,15 -0.014,16 4.291,17 -0.053,18 74.551,19 5.079,20 22.639,21 18.795,22 14399,23 15.763,24 3.119,25 7.325,26 279.681,27 38.837,28 6.118,29 9.342,30 17.672,31 17.672,32 17.672,33 17.672,34 17.672,35 2.845,36 2.845,37 124.61,38 11.267,39 2163,40 3.238,41 216.62,42 1.243,43 19.387,44 5.179,45 304.21,46 25246,47 57.171,48 5.901,49 4.667,50 29717.3,51 30.599,52 54.633,53 3.611,54 3.611,55 36,56 4.29,57 1977.62,58 4.818,59 464.59,60 3.932,61 50,62 14857,63 160.465,64 0.491,65 1,66 12.556,67 6.523}
{0 CHEMBL604065,1 7,2 6.114,3 3.742,4 8,5 1.362,6 553.36,7 5.259,8 0.462,9 16.267,10 22.578,11 0.079,12 9.265,13 9.265,14 8.511,15 0.021,16 4.463,17 -0.008,18 77.583,19 4.73,20 23.802,21 19.831,22 15910,23 16.425,24 3.018,25 7.383,26 290.479,27 39.827,28 6.183,29 9.207,30 18.692,31 18.692,32 18.692,33 18.692,34 18.692,35 2.887,36 2.887,37 127.505,38 10.767,39 2348,40 3.203,41 223.909,42 0.812,43 19.508,44 5.223,45 315.008,46 27159,47 60.512,48 6.256,49 4.674,50 32218.3,51 31.324,52 57.488,53 3.664,54 3.664,55 38,56 4.344,57 2103.13,58 4.822,59 476.6,60 3.97,61 52,62 16936,63 166.974,64 0.446,65 1,66 13.272,67 6.456}
{0 CHEMBL606041,1 8,2 7.012,3 4.472,4 8.5,5 1.246,6 589.483,7 5.113,8 0.489,9 16.267,10 23.934,11 0.081,12 9.216,13 9.216,14 8.505,15 0.017,16 4.351,17 -0.023,18 75.653,19 5.323,20 23.546,21 19.262,22 15421,23 16.301,24 3.148,25 7.387,26 293.619,27 40.201,28 6.157,29 9.962,30 18.109,31 18.109,32 18.109,33 18.109,34 18.109,35 2.856,36 2.856,37 129.358,38 11.767,39 2360,40 3.401,41 226.061,42 1.29,43 20.094,44 5.196,45 324.149,46 26670,47 58.179,48 6.046,49 4.668,50 32281.2,51 31.303,52 55.49,53 3.638,54 3.638,55 37,56 4.317,57 2102.87,58 4.819,59 478.62,60 3.951,61 51,62 15872,63 166.974,64 0.48,65 1,66 13.075,67 6.63}
{0 CHEMBL606156,1 7,2 6.265,3 4.123,4 8,5 1.117,6 534.583,7 5.042,8 0.464,9 15.267,10 22.003,11 0.086,12 9.111,13 9.111,14 8.484,15 0.056,16 4.265,17 0.052,18 72.759,19 5.01,20 22.09,21 18.261,22 13512,23 15.353,24 3.017,25 7.312,26 262.725,27 37.961,28 6.057,29 9.112,30 17.214,31 17.214,32 17.214,33 17.214,34 17.214,35 2.815,36 2.815,37 119.714,38 10.317,39 1990,40 3.202,41 207.796,42 1.231,43 18.44,44 5.15,45 287.254,46 24001,47 55.336,48 5.872,49 4.598,50 27478.6,51 29.93,52 52.62,53 3.584,54 3.584,55 35,56 4.263,57 1860.43,58 4.706,59 450.56,60 3.912,61 49,62 13986,63 154,64 0.47,65 1,66 12.423,67 5.851}
{0 CHEMBL606370,1 8,2 7.012,3 4.472,4 8.5,5 1.34,6 589.483,7 5.197,8 0.524,9 16.267,10 23.934,11 0.081,12 9.113,13 9.113,14 8.505,15 0.037,16 4.398,17 0.023,18 75.783,19 5.488,20 23.362,21 19.277,22 15768,23 16.263,24 3.129,25 7.559,26 287.619,27 42.08,28 6.144,29 9.962,30 18.155,31 18.155,32 18.155,33 18.155,34 18.155,35 2.82,36 2.82,37 129.321,38 11.767,39 2420,40 3.262,41 224.061,42 1.371,43 20.094,44 5.196,45 316.149,46 27249,47 58.963,48 6.101,49 4.672,50 32990,51 31.438,52 55.84,53 3.638,54 3.638,55 37,56 4.317,57 2119.22,58 4.822,59 478.62,60 3.951,61 51,62 16244,63 164.974,64 0.478,65 1,66 13.002,67 6.565}
{0 CHEMBL606374,1 7,2 6.092,3 3.674,4 7.5,5 1.161,6 549.158,7 5.121,8 0.343,9 15.933,10 21.936,11 0.081,12 9.172,13 9.172,14 8.474,15 -0.002,16 4.431,17 -0.062,18 74.699,19 4.753,20 23.332,21 19.434,22 14891,23 16.014,24 3.018,25 7.323,26 283.792,27 38.639,28 6.259,29 9.165,30 18.231,31 18.231,32 18.231,33 18.231,34 18.231,35 2.836,36 2.836,37 127.879,38 10.85,39 2157,40 3.203,41 216.724,42 0.773,43 19.307,44 5.179,45 308.321,46 24260,47 57.748,48 6.223,49 4.654,50 29685.3,51 30.633,52 55.326,53 3.638,54 3.638,55 37,56 4.317,57 1978.12,58 4.81,59 462.62,60 3.932,61 50,62 15923,63 156.465,64 0.42,65 1,66 13.13,67 5.301}
{0 CHEMBL608393,1 4,2 4.755,3 2.915,4 5,5 0.618,6 380.573,7 6.115,8 0.34,9 11.286,10 16.117,11 0.12,12 7.905,13 7.905,14 7.699,15 -0.092,16 3.505,17 -0.113,18 50.525,19 3.604,20 16.042,21 13.605,22 5339,23 11.042,24 2.527,25 5.551,26 168.77,27 18.306,29 6.785,30 12.317,31 12.317,32 12.317,33 12.317,34 12.317,35 2.604,36 2.604,37 90.865,38 6.576,39 714,40 2.833,41 148.505,42 0.636,43 13.619,44 4.779,45 172.77,46 10348,47 40.751,48 4.256,49 3.461,50 9547.65,51 22.467,52 38.145,53 3.258,54 3.258,55 25,56 3.932,57 838.55,58 4.044,59 349.45,60 3.555,61 34,62 5477,63 104.042,64 0.465,65 1,66 8.959,67 7.173}