@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL281

@attribute molecule_id {CHEMBL100075,CHEMBL100266,CHEMBL100329,CHEMBL100456,CHEMBL100580,CHEMBL100733,CHEMBL100748,CHEMBL100757,CHEMBL100760,CHEMBL100860,CHEMBL100873,CHEMBL100906,CHEMBL101002,CHEMBL101174,CHEMBL101183,CHEMBL101190,CHEMBL101196,CHEMBL101330,CHEMBL102068,CHEMBL102316,CHEMBL102401,CHEMBL102656,CHEMBL102705,CHEMBL102722,CHEMBL102793,CHEMBL102870,CHEMBL102904,CHEMBL102922,CHEMBL103015,CHEMBL103182,CHEMBL103194,CHEMBL103302,CHEMBL103325,CHEMBL103346,CHEMBL103361,CHEMBL103392,CHEMBL103398,CHEMBL103407,CHEMBL103413,CHEMBL103415,CHEMBL103420,CHEMBL103478,CHEMBL103524,CHEMBL103615,CHEMBL103630,CHEMBL103757,CHEMBL103770,CHEMBL103802,CHEMBL103825,CHEMBL103945,CHEMBL107722,CHEMBL107989,CHEMBL108380,CHEMBL108381,CHEMBL108389,CHEMBL108502,CHEMBL108971,CHEMBL108982,CHEMBL109142,CHEMBL109151,CHEMBL109153,CHEMBL111074,CHEMBL111216,CHEMBL111245,CHEMBL111336,CHEMBL111360,CHEMBL111504,CHEMBL118,CHEMBL120049,CHEMBL120304,CHEMBL120934,CHEMBL121364,CHEMBL121393,CHEMBL121501,CHEMBL121559,CHEMBL121592,CHEMBL121662,CHEMBL121696,CHEMBL121726,CHEMBL121729,CHEMBL121777,CHEMBL121782,CHEMBL121809,CHEMBL121916,CHEMBL121922,CHEMBL121927,CHEMBL122074,CHEMBL122109,CHEMBL122176,CHEMBL122249,CHEMBL122280,CHEMBL122336,CHEMBL122349,CHEMBL122390,CHEMBL122394,CHEMBL122395,CHEMBL122444,CHEMBL122484,CHEMBL122573,CHEMBL122651,CHEMBL122711,CHEMBL122719,CHEMBL122720,CHEMBL122730,CHEMBL122749,CHEMBL122756,CHEMBL122762,CHEMBL122767,CHEMBL122781,CHEMBL122786,CHEMBL122795,CHEMBL122808,CHEMBL122817,CHEMBL122831,CHEMBL122836,CHEMBL122838,CHEMBL122839,CHEMBL122868,CHEMBL122870,CHEMBL122925,CHEMBL122926,CHEMBL122950,CHEMBL122951,CHEMBL122953,CHEMBL122961,CHEMBL123041,CHEMBL123047,CHEMBL123064,CHEMBL123065,CHEMBL123066,CHEMBL123105,CHEMBL123108,CHEMBL123116,CHEMBL123167,CHEMBL123233,CHEMBL123382,CHEMBL123398,CHEMBL123404,CHEMBL123443,CHEMBL123463,CHEMBL123482,CHEMBL123535,CHEMBL123539,CHEMBL123599,CHEMBL123603,CHEMBL123606,CHEMBL123652,CHEMBL123775,CHEMBL123827,CHEMBL123877,CHEMBL123878,CHEMBL123982,CHEMBL124046,CHEMBL124165,CHEMBL124168,CHEMBL124224,CHEMBL124237,CHEMBL124399,CHEMBL124450,CHEMBL125338,CHEMBL125376,CHEMBL125729,CHEMBL125776,CHEMBL125980,CHEMBL126179,CHEMBL13410,CHEMBL13541,CHEMBL13555,CHEMBL13614,CHEMBL13630,CHEMBL13646,CHEMBL138009,CHEMBL13802,CHEMBL138022,CHEMBL138115,CHEMBL138178,CHEMBL138253,CHEMBL138255,CHEMBL138260,CHEMBL138309,CHEMBL13851,CHEMBL138530,CHEMBL138603,CHEMBL138812,CHEMBL138847,CHEMBL138920,CHEMBL138972,CHEMBL139,CHEMBL139023,CHEMBL139032,CHEMBL13929,CHEMBL139539,CHEMBL139549,CHEMBL139563,CHEMBL139649,CHEMBL13966,CHEMBL139668,CHEMBL139700,CHEMBL13975,CHEMBL139763,CHEMBL13981,CHEMBL13982,CHEMBL139939,CHEMBL139940,CHEMBL139946,CHEMBL140007,CHEMBL140095,CHEMBL140110,CHEMBL140116,CHEMBL140118,CHEMBL140169,CHEMBL140221,CHEMBL140252,CHEMBL140306,CHEMBL140370,CHEMBL140379,CHEMBL140389,CHEMBL14039,CHEMBL140391,CHEMBL140428,CHEMBL140446,CHEMBL140452,CHEMBL140463,CHEMBL140481,CHEMBL140486,CHEMBL140515,CHEMBL140544,CHEMBL140554,CHEMBL140616,CHEMBL140643,CHEMBL140692,CHEMBL140696,CHEMBL140791,CHEMBL140792,CHEMBL140805,CHEMBL140820,CHEMBL140879,CHEMBL140880,CHEMBL140933,CHEMBL140938,CHEMBL140941,CHEMBL140942,CHEMBL140973,CHEMBL140975,CHEMBL141028,CHEMBL141049,CHEMBL141052,CHEMBL141108,CHEMBL141112,CHEMBL141130,CHEMBL141168,CHEMBL141206,CHEMBL141255,CHEMBL141309,CHEMBL141346,CHEMBL141351,CHEMBL141363,CHEMBL141408,CHEMBL141410,CHEMBL141425,CHEMBL141454,CHEMBL141478,CHEMBL141526,CHEMBL141562,CHEMBL141618,CHEMBL141624,CHEMBL141753,CHEMBL141756,CHEMBL141757,CHEMBL14182,CHEMBL141868,CHEMBL141898,CHEMBL141899,CHEMBL141953,CHEMBL141965,CHEMBL14198,CHEMBL142067,CHEMBL142078,CHEMBL142132,CHEMBL142142,CHEMBL142169,CHEMBL142541,CHEMBL143033,CHEMBL143294,CHEMBL143891,CHEMBL143992,CHEMBL144006,CHEMBL144122,CHEMBL144186,CHEMBL144301,CHEMBL144322,CHEMBL144352,CHEMBL144383,CHEMBL144537,CHEMBL144667,CHEMBL144716,CHEMBL144766,CHEMBL144786,CHEMBL144818,CHEMBL144946,CHEMBL144970,CHEMBL144982,CHEMBL145256,CHEMBL145675,CHEMBL145755,CHEMBL146887,CHEMBL147385,CHEMBL147726,CHEMBL148069,CHEMBL148167,CHEMBL148387,CHEMBL148426,CHEMBL158660,CHEMBL158693,CHEMBL158827,CHEMBL161032,CHEMBL161205,CHEMBL161371,CHEMBL161438,CHEMBL161443,CHEMBL161560,CHEMBL161658,CHEMBL161802,CHEMBL162021,CHEMBL166288,CHEMBL166696,CHEMBL168383,CHEMBL168431,CHEMBL168447,CHEMBL168976,CHEMBL169188,CHEMBL169617,CHEMBL169623,CHEMBL169684,CHEMBL169685,CHEMBL169789,CHEMBL169820,CHEMBL169869,CHEMBL169903,CHEMBL17,CHEMBL170041,CHEMBL170085,CHEMBL170145,CHEMBL170151,CHEMBL170588,CHEMBL170592,CHEMBL170725,CHEMBL170875,CHEMBL170938,CHEMBL171031,CHEMBL171095,CHEMBL171221,CHEMBL171350,CHEMBL171589,CHEMBL171625,CHEMBL171792,CHEMBL172567,CHEMBL1795050,CHEMBL1795051,CHEMBL1795052,CHEMBL1795054,CHEMBL1795055,CHEMBL1795056,CHEMBL1795058,CHEMBL1795059,CHEMBL1795060,CHEMBL1795062,CHEMBL1795064,CHEMBL1795065,CHEMBL18,CHEMBL19,CHEMBL1907940,CHEMBL20,CHEMBL203633,CHEMBL203677,CHEMBL204338,CHEMBL205107,CHEMBL205347,CHEMBL205348,CHEMBL205440,CHEMBL205458,CHEMBL205460,CHEMBL205467,CHEMBL205520,CHEMBL205542,CHEMBL205651,CHEMBL206614,CHEMBL207005,CHEMBL208107,CHEMBL208108,CHEMBL208361,CHEMBL21,CHEMBL2112274,CHEMBL2112275,CHEMBL2112276,CHEMBL2112599,CHEMBL2112600,CHEMBL2112602,CHEMBL2113370,CHEMBL2113371,CHEMBL2113374,CHEMBL2113375,CHEMBL2113714,CHEMBL2113715,CHEMBL218490,CHEMBL220491,CHEMBL220492,CHEMBL22374,CHEMBL22540,CHEMBL23058,CHEMBL23238,CHEMBL23285,CHEMBL23377,CHEMBL23417,CHEMBL23435,CHEMBL23559,CHEMBL23579,CHEMBL23591,CHEMBL23681,CHEMBL23684,CHEMBL23796,CHEMBL23922,CHEMBL24121,CHEMBL24473,CHEMBL253362,CHEMBL253997,CHEMBL254005,CHEMBL254211,CHEMBL254212,CHEMBL254833,CHEMBL254834,CHEMBL254835,CHEMBL255047,CHEMBL25600,CHEMBL26,CHEMBL262389,CHEMBL262561,CHEMBL262650,CHEMBL262651,CHEMBL262676,CHEMBL263457,CHEMBL264608,CHEMBL264618,CHEMBL264879,CHEMBL265112,CHEMBL265261,CHEMBL265534,CHEMBL265674,CHEMBL266026,CHEMBL266157,CHEMBL266240,CHEMBL266387,CHEMBL268177,CHEMBL268439,CHEMBL268809,CHEMBL269122,CHEMBL26915,CHEMBL269628,CHEMBL274895,CHEMBL275091,CHEMBL275565,CHEMBL276869,CHEMBL278295,CHEMBL278395,CHEMBL278603,CHEMBL279246,CHEMBL280071,CHEMBL280338,CHEMBL280417,CHEMBL281376,CHEMBL281794,CHEMBL282021,CHEMBL282266,CHEMBL283097,CHEMBL284061,CHEMBL284071,CHEMBL284118,CHEMBL284165,CHEMBL284354,CHEMBL284398,CHEMBL284481,CHEMBL284500,CHEMBL284610,CHEMBL284617,CHEMBL284694,CHEMBL284711,CHEMBL284732,CHEMBL284831,CHEMBL285170,CHEMBL285189,CHEMBL285238,CHEMBL285239,CHEMBL285266,CHEMBL285408,CHEMBL285435,CHEMBL285436,CHEMBL285516,CHEMBL285531,CHEMBL285590,CHEMBL285688,CHEMBL285788,CHEMBL285962,CHEMBL286004,CHEMBL286108,CHEMBL286131,CHEMBL286297,CHEMBL286300,CHEMBL286328,CHEMBL286338,CHEMBL286445,CHEMBL286449,CHEMBL286549,CHEMBL286561,CHEMBL286586,CHEMBL286587,CHEMBL286602,CHEMBL286666,CHEMBL286669,CHEMBL286828,CHEMBL286831,CHEMBL286862,CHEMBL286999,CHEMBL287117,CHEMBL287145,CHEMBL287316,CHEMBL287470,CHEMBL287804,CHEMBL287881,CHEMBL287922,CHEMBL287998,CHEMBL288050,CHEMBL288115,CHEMBL288179,CHEMBL288223,CHEMBL288235,CHEMBL288451,CHEMBL288625,CHEMBL288709,CHEMBL288918,CHEMBL288957,CHEMBL289050,CHEMBL289175,CHEMBL289204,CHEMBL289231,CHEMBL289278,CHEMBL289322,CHEMBL289387,CHEMBL289401,CHEMBL289491,CHEMBL289583,CHEMBL289647,CHEMBL289672,CHEMBL289704,CHEMBL289705,CHEMBL289795,CHEMBL289871,CHEMBL289888,CHEMBL289938,CHEMBL289993,CHEMBL290051,CHEMBL290222,CHEMBL290326,CHEMBL290348,CHEMBL290369,CHEMBL290396,CHEMBL290407,CHEMBL290424,CHEMBL290439,CHEMBL290558,CHEMBL290570,CHEMBL290615,CHEMBL290633,CHEMBL290713,CHEMBL290813,CHEMBL291077,CHEMBL293503,CHEMBL293774,CHEMBL295343,CHEMBL295779,CHEMBL296390,CHEMBL297706,CHEMBL297892,CHEMBL298110,CHEMBL298132,CHEMBL298755,CHEMBL299160,CHEMBL299744,CHEMBL300020,CHEMBL300265,CHEMBL300436,CHEMBL301071,CHEMBL301469,CHEMBL30168,CHEMBL302706,CHEMBL303648,CHEMBL303905,CHEMBL304281,CHEMBL304322,CHEMBL304757,CHEMBL304973,CHEMBL305488,CHEMBL305726,CHEMBL306118,CHEMBL306195,CHEMBL306726,CHEMBL306832,CHEMBL307259,CHEMBL307401,CHEMBL307402,CHEMBL307698,CHEMBL307838,CHEMBL307939,CHEMBL308459,CHEMBL308631,CHEMBL308677,CHEMBL308820,CHEMBL309069,CHEMBL309431,CHEMBL309578,CHEMBL309592,CHEMBL309890,CHEMBL311336,CHEMBL313123,CHEMBL313770,CHEMBL313873,CHEMBL313925,CHEMBL314929,CHEMBL315592,CHEMBL315661,CHEMBL316037,CHEMBL316140,CHEMBL316169,CHEMBL316529,CHEMBL316576,CHEMBL316779,CHEMBL316875,CHEMBL316957,CHEMBL317015,CHEMBL317249,CHEMBL317256,CHEMBL317328,CHEMBL317383,CHEMBL317743,CHEMBL317807,CHEMBL317890,CHEMBL318014,CHEMBL318028,CHEMBL318047,CHEMBL318101,CHEMBL318486,CHEMBL318820,CHEMBL318839,CHEMBL318953,CHEMBL318969,CHEMBL319030,CHEMBL319090,CHEMBL319110,CHEMBL319182,CHEMBL319297,CHEMBL319363,CHEMBL319364,CHEMBL319486,CHEMBL319487,CHEMBL319794,CHEMBL319818,CHEMBL319897,CHEMBL320436,CHEMBL320591,CHEMBL320711,CHEMBL320840,CHEMBL32096,CHEMBL321052,CHEMBL321281,CHEMBL32157,CHEMBL321586,CHEMBL32160,CHEMBL32165,CHEMBL321795,CHEMBL32198,CHEMBL32208,CHEMBL322581,CHEMBL322589,CHEMBL32308,CHEMBL323550,CHEMBL324906,CHEMBL325321,CHEMBL326036,CHEMBL32606,CHEMBL326240,CHEMBL32732,CHEMBL32735,CHEMBL327487,CHEMBL327604,CHEMBL327669,CHEMBL327742,CHEMBL327933,CHEMBL327964,CHEMBL32836,CHEMBL328410,CHEMBL32848,CHEMBL328633,CHEMBL328648,CHEMBL328946,CHEMBL329311,CHEMBL32949,CHEMBL329756,CHEMBL32982,CHEMBL329956,CHEMBL330346,CHEMBL330413,CHEMBL330755,CHEMBL330857,CHEMBL33088,CHEMBL330950,CHEMBL331002,CHEMBL331083,CHEMBL331114,CHEMBL331308,CHEMBL331311,CHEMBL331331,CHEMBL331342,CHEMBL331386,CHEMBL331527,CHEMBL331669,CHEMBL331697,CHEMBL331727,CHEMBL331738,CHEMBL331932,CHEMBL332119,CHEMBL332120,CHEMBL332145,CHEMBL332200,CHEMBL332220,CHEMBL332221,CHEMBL332222,CHEMBL332225,CHEMBL332362,CHEMBL332406,CHEMBL332429,CHEMBL332439,CHEMBL332527,CHEMBL332549,CHEMBL332586,CHEMBL332648,CHEMBL332744,CHEMBL332755,CHEMBL332858,CHEMBL333033,CHEMBL333122,CHEMBL333248,CHEMBL333532,CHEMBL333692,CHEMBL333874,CHEMBL333896,CHEMBL333954,CHEMBL334088,CHEMBL33478,CHEMBL335119,CHEMBL335337,CHEMBL335353,CHEMBL336247,CHEMBL336249,CHEMBL336455,CHEMBL33648,CHEMBL336483,CHEMBL336691,CHEMBL337136,CHEMBL337328,CHEMBL337369,CHEMBL337771,CHEMBL338513,CHEMBL33904,CHEMBL33914,CHEMBL3396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BL69813,CHEMBL70020,CHEMBL70524,CHEMBL7087,CHEMBL70873,CHEMBL7092,CHEMBL71000,CHEMBL7146,CHEMBL71611,CHEMBL71657,CHEMBL7204,CHEMBL73929,CHEMBL73962,CHEMBL74491,CHEMBL75595,CHEMBL75620,CHEMBL75747,CHEMBL75812,CHEMBL75855,CHEMBL76078,CHEMBL76206,CHEMBL76563,CHEMBL76626,CHEMBL76956,CHEMBL77284,CHEMBL77359,CHEMBL77402,CHEMBL77483,CHEMBL77517,CHEMBL77986,CHEMBL78240,CHEMBL82868,CHEMBL83508,CHEMBL85079,CHEMBL85120,CHEMBL86428,CHEMBL865,CHEMBL86751,CHEMBL87141,CHEMBL88120,CHEMBL88173,CHEMBL88232,CHEMBL88519,CHEMBL88860,CHEMBL88969,CHEMBL89163,CHEMBL89455,CHEMBL89634,CHEMBL89945,CHEMBL90218,CHEMBL90382,CHEMBL90492,CHEMBL91420,CHEMBL92116,CHEMBL94341,CHEMBL94499,CHEMBL94551,CHEMBL94746,CHEMBL94836,CHEMBL95264,CHEMBL95421,CHEMBL95545,CHEMBL95637,CHEMBL95943,CHEMBL96020,CHEMBL96361,CHEMBL97141,CHEMBL97425,CHEMBL97694,CHEMBL97725,CHEMBL97795,CHEMBL98120,CHEMBL98146,CHEMBL98328,CHEMBL98389,CHEMBL98673,CHEMBL98871,CHEMBL98877,CHEMBL99257,CHEMBL99337,CHEMBL99638,CHEMBL99641,CHEMBL99694,CHEMBL99697,CHEMBL99736,CHEMBL99855,CHEMBL99927,CHEMBL99958}
@attribute S.107 numeric
@attribute C.044 numeric
@attribute NaaS numeric
@attribute nR05 numeric
@attribute SRW05 numeric
@attribute CATS2D_04_PL numeric
@attribute NaaN numeric
@attribute CATS2D_05_AA numeric
@attribute TPSA.Tot. numeric
@attribute CATS2D_04_AP numeric
@attribute nS numeric
@attribute CATS2D_01_AA numeric
@attribute P_VSA_i_1 numeric
@attribute CATS2D_02_AL numeric
@attribute D.Dtr05 numeric
@attribute SM13_EA.bo. numeric
@attribute MATS2m numeric
@attribute SM12_EA.bo. numeric
@attribute Eig01_AEA.bo. numeric
@attribute SpMax_AEA.bo. numeric
@attribute CATS2D_03_AP numeric
@attribute SpMax4_Bh.m. numeric
@attribute CATS2D_04_AA numeric
@attribute CATS2D_03_DA numeric
@attribute CATS2D_07_AA numeric
@attribute SpDiam_EA.bo. numeric
@attribute nThiazoles numeric
@attribute SaaN numeric
@attribute SpDiam_AEA.dm. numeric
@attribute P_VSA_m_4 numeric
@attribute Eig02_EA.bo. numeric
@attribute SM12_AEA.ri. numeric
@attribute Eig01_AEA.dm. numeric
@attribute SpMax_AEA.dm. numeric
@attribute C.034 numeric
@attribute SaaS numeric
@attribute Eig01_EA.bo. numeric
@attribute SM11_AEA.ri. numeric
@attribute SpMax_EA.bo. numeric
@attribute NaaaC numeric
@attribute JGI5 numeric
@attribute SpMax1_Bh.m. numeric
@attribute Eig01_EA numeric
@attribute SM09_AEA.bo. numeric
@attribute SpMax_EA numeric
@attribute nHM numeric
@attribute SpMax2_Bh.m. numeric
@attribute D.Dtr09 numeric
@attribute Eig01_EA.ed. numeric
@attribute SM10_AEA.dm. numeric
@attribute SpMax_EA.ed. numeric
@attribute P_VSA_MR_8 numeric
@attribute Eig01_AEA.ed. numeric
@attribute SpMax_AEA.ed. numeric
@attribute CATS2D_07_DA numeric
@attribute TRS numeric
@attribute P_VSA_MR_7 numeric
@attribute SM15_EA.bo. numeric
@attribute Rperim numeric
@attribute CATS2D_04_DL numeric
@attribute SRW09 numeric
@attribute SpDiam_EA.ed. numeric
@attribute X2sol numeric
@attribute SpMin1_Bh.v. numeric
@attribute DLS_06 numeric
@attribute X5v numeric
@attribute SRW07 numeric
@attribute pXC50 numeric

@data
{1 1,2 1,3 1,4 1,5 2.398,6 1,7 1,8 2,9 149.08,11 2,13 37.085,14 4,15 109.052,16 20.634,17 0.186,18 19.137,19 4.837,20 4.837,21 3,22 3.759,24 1,25 2,26 7.748,27 1,28 4.024,29 6.665,30 37.085,31 4.241,32 4.241,33 4.665,34 4.665,35 1,36 0.978,37 4.748,38 4.748,39 4.748,40 2,41 0.035,42 4.784,43 3.355,44 3.355,45 3.355,46 2,47 4.155,48 191.537,49 11.786,50 11.786,51 11.786,52 31.278,53 7.132,54 7.132,55 1,56 23,57 24.492,58 23.678,59 21,61 6.862,62 19.006,63 19.533,64 2.135,65 0.5,66 4.483,67 4.727,68 7.523}
{0 CHEMBL100266,1 1,2 2,3 1,4 1,5 2.398,7 2,8 3,9 206.65,10 1,11 3,12 1,13 42.893,14 4,15 86.341,16 20.818,17 0.162,18 19.286,19 4.868,20 4.868,21 1,22 3.773,23 4,24 2,25 4,26 7.722,28 6.74,29 6.688,30 42.893,31 4.663,32 4.663,33 4.688,34 4.688,36 0.464,37 4.722,38 4.722,39 4.722,41 0.032,42 4.796,43 3.408,44 3.408,45 3.408,46 3,47 4.717,49 12.536,50 12.536,51 12.536,52 31.278,53 7.313,54 7.313,55 2,56 11,57 61.346,58 23.901,59 11,60 2,61 6.605,62 19.972,63 16.252,64 2.063,65 0.67,66 3.005,67 4.595,68 8.155}
{0 CHEMBL100329,1 1,2 2,3 1,4 1,5 2.398,7 2,8 3,9 209.45,10 1,11 3,12 1,13 42.893,14 5,15 94.239,16 20.818,17 0.172,18 19.286,19 4.868,20 4.868,21 1,22 3.784,23 4,24 3,25 4,26 7.722,28 6.793,29 6.688,30 42.893,31 4.663,32 4.663,33 4.688,34 4.688,36 0.48,37 4.722,38 4.722,39 4.722,41 0.03,42 4.796,43 3.408,44 3.408,45 3.408,46 3,47 4.717,49 12.536,50 12.536,51 12.536,52 31.278,53 7.313,54 7.313,55 2,56 11,57 61.346,58 23.901,59 11,60 3,61 6.605,62 19.972,63 16.541,64 2.069,65 0.67,66 3.2,67 4.595,68 8.155}
{0 CHEMBL100456,1 1,2 1,3 1,4 1,5 2.398,6 1,7 1,8 1,9 139.85,11 2,13 37.085,14 4,15 86.938,16 20.616,17 0.188,18 19.119,19 4.837,20 4.837,21 3,22 3.75,24 1,25 3,26 7.748,27 1,28 4.012,29 6.665,30 37.085,31 4.242,32 4.242,33 4.665,34 4.665,35 1,36 0.941,37 4.748,38 4.748,39 4.748,40 2,41 0.028,42 4.784,43 3.355,44 3.355,45 3.355,46 2,47 4.156,48 152.44,49 11.786,50 11.786,51 11.786,52 31.278,53 7.132,54 7.132,55 1,56 23,57 24.492,58 23.661,59 21,61 6.862,62 19.001,63 17.005,64 2.126,65 1,66 4.073,67 4.727,68 7.569}
{0 CHEMBL100580,6 3,9 113.55,11 1,13 5.807,16 20.182,17 0.105,18 18.686,19 4.801,20 4.801,21 1,22 3.443,24 1,26 7.66,29 6.661,30 5.807,31 4.076,32 4.076,33 4.661,34 4.661,37 4.66,38 4.66,39 4.66,41 0.03,42 4.728,43 3.313,44 3.313,45 3.313,46 1,47 3.959,49 11.657,50 11.657,51 11.657,53 7.111,54 7.111,55 2,56 12,57 25.595,58 23.22,59 12,60 4,62 18.533,63 12.584,64 2.101,65 1,66 1.767,68 6.347}
{0 CHEMBL100733,1 1,2 2,3 1,4 1,5 2.398,6 1,7 2,8 1,9 184.64,10 1,11 2,12 1,13 37.085,14 3,15 126.239,16 20.316,17 0.215,18 18.825,19 4.81,20 4.81,21 2,22 3.76,23 3,24 2,25 2,26 7.673,28 7.024,29 6.663,30 37.085,31 4.214,32 4.214,33 4.663,34 4.663,36 0.66,37 4.673,38 4.673,39 4.673,41 0.039,42 4.776,43 3.327,44 3.327,45 3.327,46 2,47 4.036,49 11.699,50 11.699,51 11.699,52 31.278,53 7.118,54 7.118,55 2,56 17,57 41.033,58 23.345,59 17,61 6.605,62 18.919,63 18.555,64 2.137,65 0.67,66 3.574,67 4.595,68 7.796}
{0 CHEMBL100748,6 3,7 2,9 139.33,11 1,13 5.807,14 2,16 20.293,17 0.05,18 18.822,19 4.801,20 4.801,21 1,22 3.749,23 2,26 7.66,28 8.513,29 6.661,30 5.807,31 4.173,32 4.173,33 4.661,34 4.661,37 4.66,38 4.66,39 4.66,41 0.028,42 4.728,43 3.314,44 3.314,45 3.314,46 1,47 4.019,49 11.657,50 11.657,51 11.657,53 7.111,54 7.111,56 24,57 41.278,58 23.308,59 24,60 3,62 18.578,63 17.812,64 2.127,65 0.83,66 3.208,68 7.237}
{0 CHEMBL100757,6 3,9 98.72,11 1,13 5.807,14 1,16 20.243,17 0.043,18 18.758,19 4.801,20 4.801,21 2,22 3.736,26 7.66,29 6.661,30 5.807,31 4.152,32 4.152,33 4.661,34 4.661,37 4.66,38 4.66,39 4.66,41 0.033,42 4.728,43 3.313,44 3.313,45 3.313,46 1,47 4.003,49 11.657,50 11.657,51 11.657,53 7.111,54 7.111,56 18,57 7.707,58 23.27,59 18,60 2,62 18.533,63 14.991,64 2.117,65 1,66 2.546,68 7.161}
{0 CHEMBL100760,6 2,9 101.52,11 1,13 5.807,16 20.309,17 0.058,18 18.826,19 4.809,20 4.809,21 1,22 3.733,26 7.671,29 6.663,30 5.807,31 4.174,32 4.174,33 4.663,34 4.663,37 4.671,38 4.671,39 4.671,41 0.028,42 4.729,43 3.327,44 3.327,45 3.327,46 1,47 4.016,49 11.698,50 11.698,51 11.698,53 7.118,54 7.118,56 18,57 7.707,58 23.333,59 18,60 1,62 18.713,63 14.677,64 2.128,65 1,66 2.89,68 7.409}
{0 CHEMBL100860,1 1,2 2,3 1,4 1,5 2.398,6 1,7 2,8 2,9 210.09,10 1,11 3,12 1,13 42.893,14 2,15 144.42,16 20.928,17 0.186,18 19.417,19 4.864,20 4.864,21 2,22 3.98,23 4,24 2,25 4,26 7.717,28 6.891,29 6.687,30 42.893,31 4.661,32 4.661,33 4.687,34 4.687,36 0.495,37 4.717,38 4.717,39 4.717,41 0.036,42 4.796,43 3.402,44 3.402,45 3.402,46 3,47 4.717,49 12.511,50 12.511,51 12.511,52 31.278,53 7.309,54 7.309,55 2,56 23,57 63.245,58 23.988,59 23,60 2,61 6.605,62 19.873,63 22.73,64 2.138,65 0.5,66 4.953,67 4.595,68 8}
{0 CHEMBL100873,6 3,9 101.52,11 1,13 5.807,16 20.378,17 0.089,18 18.882,19 4.843,20 4.843,21 1,22 3.713,26 7.704,29 6.684,30 5.807,31 4.214,32 4.214,33 4.684,34 4.684,37 4.704,38 4.704,39 4.704,41 0.04,42 4.73,43 3.377,44 3.377,45 3.377,46 1,47 4.028,49 12.24,50 12.24,51 12.24,53 7.248,54 7.248,56 18,57 7.707,58 23.423,59 18,60 3,62 19.754,63 16.071,64 2.138,65 1,66 3.196,68 6.456}
{0 CHEMBL100906,1 1,2 1,3 1,4 1,5 2.398,6 1,7 1,8 2,9 149.08,11 2,13 37.085,14 4,15 96.1,16 20.605,17 0.165,18 19.108,19 4.837,20 4.837,21 3,22 3.745,24 1,25 2,26 7.748,27 1,28 4,29 6.665,30 37.085,31 4.241,32 4.241,33 4.665,34 4.665,35 1,36 0.974,37 4.748,38 4.748,39 4.748,40 2,41 0.024,42 4.784,43 3.355,44 3.355,45 3.355,46 2,47 4.155,48 169.441,49 11.786,50 11.786,51 11.786,52 31.278,53 7.132,54 7.132,55 1,56 23,57 24.492,58 23.651,59 21,61 6.862,62 19.001,63 17.672,64 2.116,65 0.83,66 3.784,67 4.727,68 7.796}
{0 CHEMBL101002,6 3,9 98.72,11 1,13 5.807,14 1,16 20.284,17 0.081,18 18.8,19 4.801,20 4.801,21 2,22 3.736,25 2,26 7.66,29 6.661,30 5.807,31 4.214,32 4.214,33 4.661,34 4.661,37 4.66,38 4.66,39 4.66,41 0.042,42 4.728,43 3.313,44 3.313,45 3.313,46 1,47 4.028,49 11.657,50 11.657,51 11.657,53 7.111,54 7.111,55 1,56 18,57 7.707,58 23.309,59 18,60 2,62 18.878,63 16.498,64 2.135,65 1,66 3.157,68 6.921}
{0 CHEMBL101174,6 3,9 101.52,11 1,13 5.807,16 20.341,17 0.052,18 18.844,19 4.843,20 4.843,21 1,22 3.704,26 7.704,29 6.684,30 5.807,31 4.152,32 4.152,33 4.684,34 4.684,37 4.704,38 4.704,39 4.704,41 0.03,42 4.73,43 3.377,44 3.377,45 3.377,46 1,47 4.004,49 12.24,50 12.24,51 12.24,53 7.248,54 7.248,56 18,57 7.707,58 23.389,59 18,60 3,62 19.754,63 14.21,64 2.121,65 1,66 2.504,68 6.538}
{0 CHEMBL101183,6 2,9 101.52,11 1,13 62.589,16 20.24,17 0.029,18 18.745,19 4.809,20 4.809,21 1,22 3.681,26 7.671,29 6.662,30 5.807,31 4.076,32 4.076,33 4.662,34 4.662,37 4.671,38 4.671,39 4.671,41 0.023,42 10.695,43 3.327,44 3.327,45 3.327,46 2,47 4.727,49 11.698,50 11.698,51 11.698,52 56.782,53 7.118,54 7.118,56 12,57 7.707,58 23.273,59 12,60 1,62 18.712,63 13.884,64 2.103,65 1,66 2.716,68 7.108}
{0 CHEMBL101190,1 1,2 2,3 1,4 1,5 2.398,6 1,7 2,8 2,9 210.09,10 1,11 3,12 1,13 42.893,14 2,15 109.663,16 20.877,17 0.21,18 19.357,19 4.864,20 4.864,21 2,22 3.961,23 4,24 2,25 4,26 7.717,28 6.812,29 6.687,30 42.893,31 4.661,32 4.661,33 4.687,34 4.687,36 0.492,37 4.717,38 4.717,39 4.717,41 0.026,42 4.796,43 3.402,44 3.402,45 3.402,46 3,47 4.717,49 12.511,50 12.511,51 12.511,52 31.278,53 7.309,54 7.309,55 2,56 17,57 63.245,58 23.943,59 17,60 2,61 6.605,62 19.873,63 18.816,64 2.105,65 0.67,66 3.643,67 4.595,68 7.921}
{0 CHEMBL101196,6 3,9 98.72,11 1,13 5.807,14 1,16 20.243,17 0.046,18 18.759,19 4.801,20 4.801,21 2,22 3.726,25 2,26 7.66,29 6.661,30 5.807,31 4.152,32 4.152,33 4.661,34 4.661,37 4.66,38 4.66,39 4.66,41 0.032,42 4.728,43 3.313,44 3.313,45 3.313,46 1,47 4.004,49 11.657,50 11.657,51 11.657,53 7.111,54 7.111,55 1,56 18,57 7.707,58 23.27,59 18,60 2,62 18.533,63 14.637,64 2.117,65 1,66 2.458,68 7.125}
{0 CHEMBL101330,1 1,4 1,5 2.398,6 1,8 4,9 202.46,10 1,11 3,12 1,13 43.834,14 3,15 112.963,16 20.898,17 0.259,18 19.374,19 4.89,20 4.89,21 2,22 3.825,23 4,24 1,25 4,26 7.761,29 7.233,30 43.834,31 4.628,32 4.628,33 5.233,34 5.233,37 4.761,38 4.761,39 4.761,41 0.025,42 4.774,43 3.417,44 3.417,45 3.417,46 3,47 4.713,49 12.534,50 12.534,51 12.534,52 32.22,53 7.313,54 7.313,55 2,56 17,57 13.514,58 23.973,59 17,61 6.823,62 19.941,63 19.319,64 2.104,65 0.5,66 4.104,67 4.727,68 8}
{0 CHEMBL102068,6 2,9 101.52,11 1,13 5.807,16 20.336,17 0.099,18 18.852,19 4.809,20 4.809,21 1,22 3.742,26 7.671,29 6.663,30 5.807,31 4.214,32 4.214,33 4.663,34 4.663,37 4.671,38 4.671,39 4.671,41 0.037,42 4.729,43 3.327,44 3.327,45 3.327,46 1,47 4.029,49 11.698,50 11.698,51 11.698,53 7.118,54 7.118,56 18,57 7.707,58 23.358,59 18,60 1,62 18.919,63 16.157,64 2.137,65 1,66 3.152,68 7.409}
{0 CHEMBL102316,6 3,9 101.52,11 1,13 5.807,16 20.256,17 0.032,18 18.772,19 4.801,20 4.801,21 1,22 3.742,26 7.66,29 6.661,30 5.807,31 4.173,32 4.173,33 4.661,34 4.661,37 4.66,38 4.66,39 4.66,41 0.034,42 4.728,43 3.313,44 3.313,45 3.313,46 1,47 4.015,49 11.657,50 11.657,51 11.657,53 7.111,54 7.111,56 18,57 7.707,58 23.283,59 18,60 4,62 18.578,63 15.373,64 2.128,65 1,66 3.063,68 7.215}
{0 CHEMBL102401,1 1,2 2,3 1,4 1,5 2.398,6 1,7 2,8 1,9 155.54,10 1,11 2,12 1,13 37.085,14 2,15 98.534,16 20.315,17 0.243,18 18.824,19 4.811,20 4.811,21 2,22 3.755,23 3,24 2,25 2,26 7.673,28 7.22,29 6.663,30 37.085,31 4.214,32 4.214,33 4.663,34 4.663,36 0.723,37 4.673,38 4.673,39 4.673,41 0.039,42 4.776,43 3.328,44 3.328,45 3.328,46 2,47 4.048,49 11.699,50 11.699,51 11.699,52 31.278,53 7.118,54 7.118,55 1,56 17,57 41.033,58 23.344,59 17,61 6.605,62 18.919,63 16.519,64 2.136,65 0.83,66 3.323,67 4.595,68 7.444}
{0 CHEMBL102656,6 2,9 101.52,11 1,13 5.807,16 20.24,17 0.115,18 18.745,19 4.809,20 4.809,21 1,22 3.432,26 7.671,29 6.663,30 44.956,31 4.076,32 4.076,33 4.663,34 4.663,37 4.671,38 4.671,39 4.671,41 0.023,42 4.73,43 3.327,44 3.327,45 3.327,46 2,47 3.982,49 11.698,50 11.698,51 11.698,53 7.118,54 7.118,56 12,57 46.855,58 23.273,59 12,60 1,62 18.712,63 13.143,64 2.103,65 1,66 2.148,68 7.155}
{0 CHEMBL102705,1 1,2 1,3 1,4 1,5 2.398,6 1,7 1,9 142.65,11 2,13 37.085,14 2,15 63.508,16 20.565,17 0.256,18 19.059,19 4.837,20 4.837,21 2,22 3.552,24 1,25 1,26 7.748,27 1,28 3.992,29 6.665,30 37.085,31 4.242,32 4.242,33 4.665,34 4.665,35 1,36 0.975,37 4.748,38 4.748,39 4.748,40 2,41 0.023,42 4.784,43 3.355,44 3.355,45 3.355,46 2,47 4.157,48 112.548,49 11.786,50 11.786,51 11.786,52 31.278,53 7.132,54 7.132,55 2,56 17,57 24.492,58 23.618,59 15,60 1,61 6.862,62 19.001,63 14.57,64 2.102,65 0.83,66 3.116,67 4.727,68 7.301}
{0 CHEMBL102722,1 1,2 2,3 1,4 1,5 2.398,6 1,7 2,8 2,9 210.09,10 1,11 3,12 1,13 42.893,14 2,15 137.223,16 20.914,17 0.156,18 19.402,19 4.864,20 4.864,21 2,22 3.98,23 4,24 2,25 4,26 7.717,28 6.871,29 6.687,30 42.893,31 4.661,32 4.661,33 4.687,34 4.687,36 0.494,37 4.717,38 4.717,39 4.717,41 0.029,42 4.796,43 3.402,44 3.402,45 3.402,46 3,47 4.717,49 12.511,50 12.511,51 12.511,52 31.278,53 7.309,54 7.309,55 2,56 23,57 63.245,58 23.975,59 23,60 2,61 6.605,62 19.873,63 21.251,64 2.129,65 0.5,66 4.692,67 4.595,68 8.046}
{0 CHEMBL102793,6 2,9 101.52,11 1,13 5.807,16 20.295,17 0.089,18 18.809,19 4.805,20 4.805,21 1,22 3.721,25 2,26 7.665,29 6.662,30 5.807,31 4.214,32 4.214,33 4.662,34 4.662,37 4.665,38 4.665,39 4.665,41 0.039,42 4.728,43 3.32,44 3.32,45 3.32,46 1,47 4.029,49 11.69,50 11.69,51 11.69,53 7.116,54 7.116,55 1,56 18,57 7.707,58 23.322,59 18,60 2,62 18.91,63 16.168,64 2.138,65 1,66 3.162,68 6.462}
{0 CHEMBL102870,6 2,9 101.52,11 1,13 62.589,16 20.336,17 0.029,18 18.852,19 4.809,20 4.809,21 1,22 3.764,26 7.671,29 6.662,30 5.807,31 4.214,32 4.214,33 4.662,34 4.662,37 4.671,38 4.671,39 4.671,41 0.037,42 10.695,43 3.327,44 3.327,45 3.327,46 2,47 4.727,49 11.698,50 11.698,51 11.698,52 56.782,53 7.118,54 7.118,56 18,57 7.707,58 23.358,59 18,60 1,62 18.919,63 17.799,64 2.137,65 0.83,66 4.027,68 7.125}
{0 CHEMBL102904,6 2,9 101.52,11 1,13 5.807,16 20.297,17 0.062,18 18.814,19 4.809,20 4.809,21 1,22 3.725,26 7.671,29 6.663,30 5.807,31 4.152,32 4.152,33 4.663,34 4.663,37 4.671,38 4.671,39 4.671,41 0.027,42 4.729,43 3.327,44 3.327,45 3.327,46 1,47 4.005,49 11.698,50 11.698,51 11.698,53 7.118,54 7.118,56 18,57 7.707,58 23.321,59 18,60 1,62 18.712,63 14.295,64 2.12,65 1,66 2.459,68 7.444}
{0 CHEMBL102922,6 2,9 156.07,11 2,13 11.615,16 20.865,17 0.091,18 19.349,19 4.861,20 4.861,21 1,22 3.749,25 4,26 7.713,29 6.687,30 11.615,31 4.657,32 4.657,33 4.687,34 4.687,37 4.713,38 4.713,39 4.713,41 0.027,42 4.752,43 3.399,44 3.399,45 3.399,46 2,47 4.711,49 12.51,50 12.51,51 12.51,53 7.308,54 7.308,55 2,56 18,57 29.919,58 23.931,59 18,60 4,62 19.876,63 18.465,64 2.111,65 0.83,66 3.289,68 7.066}
{0 CHEMBL103015,1 1,2 2,3 1,4 1,5 2.398,6 1,7 2,8 1,9 184.64,10 1,11 2,12 1,13 37.085,14 3,15 119.357,16 20.289,17 0.19,18 18.798,19 4.81,20 4.81,21 2,22 3.753,23 3,24 2,25 2,26 7.673,28 6.998,29 6.663,30 37.085,31 4.173,32 4.173,33 4.663,34 4.663,36 0.66,37 4.673,38 4.673,39 4.673,41 0.03,42 4.776,43 3.327,44 3.327,45 3.327,46 2,47 4.03,49 11.699,50 11.699,51 11.699,52 31.278,53 7.118,54 7.118,55 2,56 17,57 41.033,58 23.32,59 17,61 6.605,62 18.726,63 17.076,64 2.127,65 0.67,66 3.312,67 4.595,68 7.721}
{0 CHEMBL103182,6 3,9 101.52,11 1,13 5.807,16 20.353,17 0.047,18 18.856,19 4.843,20 4.843,21 1,22 3.708,26 7.704,29 6.684,30 5.807,31 4.173,32 4.173,33 4.684,34 4.684,37 4.704,38 4.704,39 4.704,41 0.031,42 4.73,43 3.377,44 3.377,45 3.377,46 1,47 4.015,49 12.24,50 12.24,51 12.24,53 7.248,54 7.248,56 18,57 7.707,58 23.4,59 18,60 3,62 19.754,63 14.592,64 2.129,65 1,66 2.934,68 6.475}
{0 CHEMBL103194,6 3,9 101.52,11 1,13 5.807,16 20.243,17 0.042,18 18.759,19 4.801,20 4.801,21 1,22 3.727,26 7.66,29 6.661,30 5.807,31 4.152,32 4.152,33 4.661,34 4.661,37 4.66,38 4.66,39 4.66,41 0.032,42 4.728,43 3.313,44 3.313,45 3.313,46 1,47 4.004,49 11.657,50 11.657,51 11.657,53 7.111,54 7.111,55 2,56 18,57 7.707,58 23.27,59 18,60 4,62 18.533,63 14.637,64 2.12,65 1,66 2.543,68 7.301}
{0 CHEMBL103302,6 3,9 101.52,11 1,13 5.807,16 20.244,17 0.052,18 18.76,19 4.801,20 4.801,21 1,22 3.711,26 7.66,29 6.661,30 5.807,31 4.152,32 4.152,33 4.661,34 4.661,37 4.66,38 4.66,39 4.66,41 0.03,42 4.728,43 3.314,44 3.314,45 3.314,46 1,47 4.005,49 11.657,50 11.657,51 11.657,53 7.111,54 7.111,56 18,57 7.707,58 23.271,59 18,60 2,62 18.536,63 14.295,64 2.12,65 1,66 2.385,68 6.81}
{0 CHEMBL103325,6 3,9 101.52,11 1,13 5.807,16 20.258,17 0.047,18 18.774,19 4.801,20 4.801,21 1,22 3.717,26 7.66,29 6.661,30 5.807,31 4.173,32 4.173,33 4.661,34 4.661,37 4.66,38 4.66,39 4.66,41 0.031,42 4.728,43 3.314,44 3.314,45 3.314,46 1,47 4.016,49 11.657,50 11.657,51 11.657,53 7.111,54 7.111,56 18,57 7.707,58 23.284,59 18,60 2,62 18.578,63 14.677,64 2.129,65 1,66 2.816,68 6.77}
{0 CHEMBL103346,6 3,9 101.52,11 1,13 5.807,16 20.286,17 0.122,18 18.777,19 4.843,20 4.843,21 1,22 3.406,26 7.704,29 6.684,30 5.807,31 4.076,32 4.076,33 4.684,34 4.684,37 4.704,38 4.704,39 4.704,41 0.028,42 4.729,43 3.377,44 3.377,45 3.377,46 1,47 3.959,49 12.24,50 12.24,51 12.24,53 7.248,54 7.248,56 12,57 7.707,58 23.344,59 12,60 3,62 19.754,63 12.157,64 2.106,65 1,66 1.885,68 6.372}
{0 CHEMBL103361,6 2,9 101.52,11 1,13 5.807,16 20.309,17 0.033,18 18.826,19 4.809,20 4.809,21 1,22 3.756,26 7.671,29 6.662,30 5.807,31 4.174,32 4.174,33 4.662,34 4.662,37 4.671,38 4.671,39 4.671,41 0.028,42 6.88,43 3.327,44 3.327,45 3.327,46 2,47 4.726,49 11.698,50 11.698,51 11.698,52 45.954,53 7.118,54 7.118,56 18,57 7.707,58 23.333,59 18,60 1,62 18.713,63 15.949,64 2.128,65 0.83,66 3.533,68 7.26}
{0 CHEMBL103392,1 1,2 1,3 1,4 1,5 2.398,6 1,7 1,8 1,9 139.85,11 2,13 37.085,14 4,15 81.069,16 20.606,17 0.196,18 19.109,19 4.837,20 4.837,21 3,22 3.744,24 1,25 3,26 7.748,27 1,28 3.989,29 6.665,30 37.085,31 4.242,32 4.242,33 4.665,34 4.665,35 1,36 0.933,37 4.748,38 4.748,39 4.748,40 2,41 0.026,42 4.784,43 3.355,44 3.355,45 3.355,46 2,47 4.156,48 142.614,49 11.786,50 11.786,51 11.786,52 31.278,53 7.132,54 7.132,55 1,56 23,57 24.492,58 23.652,59 21,61 6.862,62 19.001,63 16.623,64 2.117,65 1,66 3.638,67 4.727,68 7.77}
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{0 CHEMBL103407,6 3,9 101.52,11 1,13 5.807,16 20.182,17 0.095,18 18.685,19 4.801,20 4.801,21 1,22 3.491,26 7.66,29 6.661,30 5.807,31 4.076,32 4.076,33 4.661,34 4.661,37 4.66,38 4.66,39 4.66,41 0.033,42 4.728,43 3.313,44 3.313,45 3.313,46 1,47 3.96,49 11.657,50 11.657,51 11.657,53 7.111,54 7.111,56 12,57 7.707,58 23.22,59 12,60 4,62 18.533,63 12.938,64 2.103,65 1,66 2.015,68 7.149}
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{0 CHEMBL103825,6 3,7 2,9 139.33,11 1,13 5.807,14 2,16 20.28,17 0.052,18 18.809,19 4.801,20 4.801,21 1,22 3.743,23 2,26 7.66,28 8.433,29 6.661,30 5.807,31 4.152,32 4.152,33 4.661,34 4.661,37 4.66,38 4.66,39 4.66,41 0.026,42 4.728,43 3.314,44 3.314,45 3.314,46 1,47 4.008,49 11.657,50 11.657,51 11.657,53 7.111,54 7.111,56 24,57 41.278,58 23.296,59 24,60 3,62 18.536,63 17.43,64 2.118,65 1,66 2.778,68 7.301}
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{0 CHEMBL121501,8 4,9 120.6,11 1,12 2,13 5.807,14 1,16 20.336,17 -0.054,18 18.796,19 4.893,20 4.893,22 2.657,23 2,24 2,26 7.758,29 6.752,30 5.807,31 3.833,32 3.833,33 4.752,34 4.752,37 4.758,38 4.758,39 4.758,41 0.032,42 4.735,43 3.436,44 3.436,45 3.436,46 1,47 3.84,49 12.898,50 12.898,51 12.898,53 7.411,54 7.411,56 6,57 11.477,58 23.436,59 6,60 3,62 20.671,63 7.497,64 2.093,65 1,66 0.958,68 7.886}
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{0 CHEMBL121662,6 1,9 178.21,11 2,13 11.615,16 20.938,17 -0.029,18 19.391,19 4.944,20 4.944,22 3.557,24 1,26 7.836,29 6.75,30 89.912,31 4.598,32 4.598,33 4.75,34 4.75,37 4.836,38 4.836,39 4.836,41 0.051,42 4.781,43 3.505,44 3.505,45 3.505,46 4,47 4.681,49 12.81,50 12.81,51 12.81,53 7.379,54 7.379,55 2,56 6,57 89.912,58 24.046,59 6,60 2,62 20.871,63 14.096,64 2.087,65 0.67,66 2.793,68 7.26}
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{0 CHEMBL121726,6 1,9 109.67,11 1,13 5.807,16 20.092,17 0.009,18 18.573,19 4.809,20 4.809,22 3.453,24 1,26 7.671,29 6.662,30 5.807,31 3.751,32 3.751,33 4.662,34 4.662,37 4.671,38 4.671,39 4.671,41 0.031,42 6.88,43 3.327,44 3.327,45 3.327,46 2,47 4.726,49 11.698,50 11.698,51 11.698,52 45.954,53 7.118,54 7.118,56 6,57 5.807,58 23.156,59 6,60 1,62 18.711,63 9.872,64 2.053,65 1,66 1.667,68 7.194}
{0 CHEMBL121729,9 120.6,11 1,12 2,13 5.807,14 2,16 20.192,17 -0.054,18 18.67,19 4.842,20 4.842,22 2.687,24 2,25 4,26 7.697,29 6.726,30 5.807,31 3.895,32 3.895,33 4.726,34 4.726,37 4.697,38 4.697,39 4.697,41 0.063,42 4.732,43 3.369,44 3.369,45 3.369,46 1,47 3.877,49 12.335,50 12.335,51 12.335,53 7.286,54 7.286,55 3,56 6,57 11.477,58 23.261,59 6,60 4,62 19.411,63 7.573,64 2.087,65 1,66 0.84,68 7.155}
{0 CHEMBL121777,9 103.88,11 1,13 5.807,16 20.144,17 0.031,18 18.61,19 4.854,20 4.854,22 3.009,23 2,24 1,26 7.704,29 6.69,30 5.807,31 3.437,32 3.437,33 4.69,34 4.69,37 4.704,38 4.704,39 4.704,41 0.044,42 4.736,43 3.389,44 3.389,45 3.389,46 1,47 3.741,49 12.497,50 12.497,51 12.497,53 7.307,54 7.307,55 2,56 6,57 5.807,58 23.234,59 6,60 4,62 19.816,63 8.513,64 2.073,65 1,66 1.368,68 6.91}
{0 CHEMBL121782,6 1,9 164.22,11 2,13 11.615,16 20.789,17 -0.006,18 19.259,19 4.861,20 4.861,22 3.672,24 1,25 4,26 7.713,29 6.687,30 11.615,31 4.657,32 4.657,33 4.687,34 4.687,37 4.713,38 4.713,39 4.713,41 0.031,42 4.752,43 3.399,44 3.399,45 3.399,46 2,47 4.711,49 12.51,50 12.51,51 12.51,53 7.308,54 7.308,55 2,56 12,57 28.02,58 23.872,59 12,60 4,62 19.876,63 14.823,64 2.103,65 0.83,66 2.471,68 7.215}
{0 CHEMBL121809,6 2,7 2,9 147.48,11 1,13 5.807,14 2,16 20.071,17 0.001,18 18.567,19 4.801,20 4.801,22 3.503,23 2,24 1,26 7.66,28 8.08,29 6.661,30 5.807,31 3.714,32 3.714,33 4.661,34 4.661,37 4.66,38 4.66,39 4.66,41 0.027,42 4.728,43 3.314,44 3.314,45 3.314,46 1,47 3.863,49 11.657,50 11.657,51 11.657,53 7.111,54 7.111,56 12,57 39.378,58 23.126,59 12,60 3,62 18.536,63 11.735,64 2.071,65 0.83,66 1.342,68 7.222}
{0 CHEMBL121916,8 2,9 113.11,11 1,13 5.807,14 2,16 20.14,17 0.099,18 18.609,19 4.855,20 4.855,22 3.223,24 2,26 7.701,29 6.687,30 5.807,31 3.437,32 3.437,33 4.687,34 4.687,37 4.701,38 4.701,39 4.701,41 0.034,42 4.736,43 3.405,44 3.405,45 3.405,46 1,47 3.728,49 12.55,50 12.55,51 12.55,53 7.316,54 7.316,56 6,57 5.807,58 23.227,59 6,60 5,62 19.953,63 9.912,64 2.074,65 1,66 1.945,68 7.42}
{0 CHEMBL121922,6 1,9 150.75,11 1,13 5.807,16 20.043,17 0.046,18 18.521,19 4.805,20 4.805,22 3.269,24 1,25 2,26 7.665,29 6.662,30 5.807,31 3.457,32 3.457,33 4.662,34 4.662,37 4.665,38 4.665,39 4.665,41 0.029,42 4.728,43 3.32,44 3.32,45 3.32,46 1,47 3.769,49 11.69,50 11.69,51 11.69,53 7.116,54 7.116,55 1,56 6,57 5.807,58 23.113,59 6,60 2,62 18.668,63 10.281,64 2.066,65 0.67,66 1.12,68 6.752}
{0 CHEMBL121927,6 2,9 150.75,11 1,13 5.807,16 20.148,17 0.046,18 18.616,19 4.843,20 4.843,22 3.283,24 1,25 2,26 7.704,29 6.684,30 5.807,31 3.437,32 3.437,33 4.684,34 4.684,37 4.704,38 4.704,39 4.704,41 0.033,42 4.729,43 3.377,44 3.377,45 3.377,46 1,47 3.753,49 12.24,50 12.24,51 12.24,53 7.248,54 7.248,55 1,56 6,57 5.807,58 23.237,59 6,60 3,62 19.753,63 10.183,64 2.068,65 0.67,66 1.155,68 6.688}
{0 CHEMBL122074,6 3,8 1,9 221.3,11 2,13 11.615,16 20.864,17 -0.042,18 19.32,19 4.916,20 4.916,21 1,22 3.631,24 2,26 7.804,29 6.743,30 50.764,31 4.598,32 4.598,33 4.743,34 4.743,37 4.804,38 4.804,39 4.804,41 0.055,42 4.777,43 3.464,44 3.464,45 3.464,46 3,47 4.681,49 12.54,50 12.54,51 12.54,53 7.322,54 7.322,55 2,56 6,57 50.764,58 23.966,59 6,60 4,62 20.196,63 14.693,64 2.096,65 0.5,66 2.373,68 7.268}
{0 CHEMBL122109,9 74.78,11 1,13 5.807,16 20.535,17 -0.185,18 19.013,19 5.319,20 5.319,22 3.404,24 2,26 6.753,29 7.362,30 5.807,31 4.238,32 4.238,33 5.438,34 5.438,37 4.753,38 4.753,39 4.753,41 0.034,42 4.742,43 4.29,44 4.29,45 4.29,46 1,47 3.938,49 19.747,50 19.747,51 19.747,53 9.351,54 9.351,57 5.807,58 23.592,62 31.365,63 6.419,64 1.954,65 0.83,66 0.879,68 7.678}
{0 CHEMBL122176,6 2,7 2,9 161.47,11 1,13 5.807,14 2,16 20.071,17 -0.023,18 18.567,19 4.801,20 4.801,21 1,22 3.469,23 2,24 1,26 7.66,28 7.955,29 6.661,30 5.807,31 3.714,32 3.714,33 4.661,34 4.661,37 4.66,38 4.66,39 4.66,41 0.028,42 4.728,43 3.314,44 3.314,45 3.314,46 1,47 3.862,49 11.657,50 11.657,51 11.657,53 7.111,54 7.111,56 12,57 39.378,58 23.126,59 12,60 3,62 18.536,63 11.354,64 2.071,65 0.67,66 1.304,68 7.125}
{0 CHEMBL122249,6 2,9 123.66,11 1,13 5.807,16 20.025,17 -0.031,18 18.502,19 4.801,20 4.801,21 1,22 2.953,24 1,26 7.66,29 6.661,30 5.807,31 3.432,32 3.432,33 4.661,34 4.661,37 4.66,38 4.66,39 4.66,41 0.046,42 4.728,43 3.313,44 3.313,45 3.313,46 1,47 3.764,49 11.657,50 11.657,51 11.657,53 7.111,54 7.111,55 2,56 6,57 5.807,58 23.096,59 6,60 4,62 18.533,63 8.562,64 2.074,65 1,66 1.049,68 7.086}
{0 CHEMBL122280,6 2,8 1,9 164.79,11 1,13 5.807,16 20.026,17 -0.038,18 18.504,19 4.801,20 4.801,21 1,22 3.37,24 3,26 7.66,29 6.661,30 5.807,31 3.432,32 3.432,33 4.661,34 4.661,37 4.66,38 4.66,39 4.66,41 0.037,42 4.728,43 3.313,44 3.313,45 3.313,46 1,47 3.755,49 11.657,50 11.657,51 11.657,53 7.111,54 7.111,55 2,56 6,57 23.696,58 23.096,59 6,60 4,62 18.533,63 10.244,64 2.064,65 0.67,66 1.053,68 6.523}
{0 CHEMBL122336,9 117.87,11 1,13 5.807,16 20.144,17 0.012,18 18.61,19 4.854,20 4.854,21 1,22 2.99,23 2,24 1,26 7.704,29 6.69,30 5.807,31 3.436,32 3.436,33 4.69,34 4.69,37 4.704,38 4.704,39 4.704,41 0.04,42 4.736,43 3.389,44 3.389,45 3.389,46 1,47 3.741,49 12.497,50 12.497,51 12.497,53 7.306,54 7.306,55 2,56 6,57 5.807,58 23.234,59 6,60 4,62 19.81,63 8.132,64 2.073,65 1,66 1.282,68 6.745}
{0 CHEMBL122349,1 1,2 2,3 1,4 1,5 2.398,7 2,8 2,9 204.77,10 1,11 2,12 1,13 37.085,14 2,15 58.272,16 20.069,17 0.262,18 18.54,19 4.81,20 4.81,21 1,22 3.265,23 3,24 3,25 2,26 7.32,28 6.764,29 6.451,30 37.085,31 3.48,32 3.48,33 4.663,34 4.663,36 0.633,37 4.673,38 4.673,39 4.673,41 0.027,42 4.776,43 3.327,44 3.327,45 3.327,46 2,47 4.024,49 11.699,50 11.699,51 11.699,52 31.278,53 7.118,54 7.118,55 3,56 5,57 39.133,58 23.141,59 5,61 6.605,62 18.726,63 10.631,64 1.883,65 0.67,66 1.279,67 4.595,68 7.456}
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{0 CHEMBL122444,1 1,4 1,5 2.398,8 3,9 156.06,10 1,11 2,12 1,13 38.027,14 3,15 49.133,16 19.95,17 0.281,18 18.427,19 4.817,20 4.817,21 1,22 3.004,23 3,24 3,25 2,26 7.27,29 6.665,30 38.027,31 3.446,32 3.446,33 5.232,34 5.232,37 4.632,38 4.632,39 4.632,41 0.024,42 4.748,43 3.349,44 3.349,45 3.349,46 2,47 3.899,49 11.767,50 11.767,51 11.767,52 32.22,53 7.13,54 7.13,55 1,56 5,57 5.807,58 23.006,59 5,61 6.823,62 18.98,63 9.466,64 1.876,65 0.83,66 1.634,67 4.727,68 7.367}
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{0 CHEMBL122719,8 4,9 140.91,11 1,12 2,13 5.807,14 3,16 20.601,17 0.189,18 19.069,19 5.278,20 5.278,22 3.512,23 1,24 2,25 5,26 7.809,29 7.441,30 5.807,31 4.094,32 4.094,33 5.441,34 5.441,37 4.809,38 4.809,39 4.809,41 0.036,42 4.752,43 4.175,44 4.175,45 4.175,46 1,47 3.953,49 18.849,50 18.849,51 18.849,53 9.162,54 9.162,55 1,56 6,57 11.477,58 23.69,59 6,62 29.876,63 11.05,64 2.084,65 0.67,66 2.251,68 6.921}
{0 CHEMBL122720,1 1,2 1,3 1,4 1,5 2.398,7 1,8 3,9 186.09,11 2,13 37.085,14 2,15 50.074,16 20.537,17 0.242,18 19.006,19 4.883,20 4.883,22 3.438,23 2,24 2,26 7.779,27 1,28 3.917,29 6.693,30 37.085,31 4.257,32 4.257,33 4.693,34 4.693,35 1,36 0.831,37 4.779,38 4.779,39 4.779,40 2,41 0.025,42 4.79,43 3.42,44 3.42,45 3.42,46 2,47 4.157,48 97.139,49 12.571,50 12.571,51 12.571,52 31.278,53 7.32,54 7.32,55 6,56 11,57 22.593,58 23.627,59 9,60 1,61 6.862,62 20.116,63 12.34,64 1.971,65 0.83,66 2.741,67 4.727,68 7.824}
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{0 CHEMBL122762,6 2,9 135.69,11 1,13 5.807,16 20.025,17 -0.046,18 18.502,19 4.801,20 4.801,21 1,22 2.899,24 2,26 7.66,29 6.661,30 5.807,31 3.432,32 3.432,33 4.661,34 4.661,37 4.66,38 4.66,39 4.66,41 0.046,42 4.728,43 3.313,44 3.313,45 3.313,46 1,47 3.748,49 11.657,50 11.657,51 11.657,53 7.111,54 7.111,55 2,56 6,57 23.696,58 23.096,59 6,60 4,62 18.533,63 8.562,64 2.064,65 0.83,66 0.909,68 6.523}
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{0 CHEMBL123233,9 103.88,11 1,13 5.807,14 1,16 20.121,17 0.09,18 18.59,19 4.841,20 4.841,22 2.687,24 2,26 7.695,29 6.726,30 5.807,31 3.462,32 3.462,33 4.726,34 4.726,37 4.695,38 4.695,39 4.695,41 0.045,42 4.732,43 3.368,44 3.368,45 3.368,46 1,47 3.756,49 12.335,50 12.335,51 12.335,53 7.285,54 7.285,56 6,57 5.807,58 23.207,59 6,60 4,62 19.404,63 8.065,64 2.062,65 1,66 0.954,68 7.398}
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{0 CHEMBL123404,9 74.78,11 1,13 5.807,16 20.116,17 -0.037,18 18.583,19 4.841,20 4.841,22 2.687,24 2,26 7.695,29 6.726,30 5.807,31 3.393,32 3.393,33 4.726,34 4.726,37 4.695,38 4.695,39 4.695,41 0.064,42 6.88,43 3.368,44 3.368,45 3.368,46 2,47 4.73,49 12.334,50 12.334,51 12.334,52 45.954,53 7.285,54 7.285,56 6,57 5.807,58 23.203,59 6,60 4,62 19.398,63 7.491,64 2.043,65 1,66 1.234,68 7.409}
{0 CHEMBL123443,8 2,9 103.88,11 1,13 5.807,16 20.36,17 0.27,18 18.82,19 5.252,20 5.252,22 3.353,24 2,26 6.757,29 7.215,30 5.807,31 3.932,32 3.932,33 5.429,34 5.429,37 4.757,38 4.757,39 4.757,41 0.037,42 4.746,43 4.162,44 4.162,45 4.162,46 1,47 3.784,49 18.719,50 18.719,51 18.719,53 9.14,54 9.14,57 5.807,58 23.451,60 4,62 29.653,63 8.556,64 2.023,65 1,66 1.743,68 7.523}
{0 CHEMBL123463,8 2,9 95.09,11 1,13 5.807,14 2,16 20.723,17 0.101,18 19.171,19 5.03,20 5.03,22 3.558,24 2,26 7.88,29 6.793,30 5.807,31 4.121,32 4.121,33 4.793,34 4.793,37 4.88,38 4.88,39 4.88,41 0.03,42 4.748,43 3.639,44 3.639,45 3.639,46 1,47 3.855,49 14.531,50 14.531,51 14.531,53 7.848,54 7.848,56 12,57 5.807,58 23.859,59 12,60 1,62 23.271,63 11.047,64 2.081,65 1,66 2.625,68 7.367}
{0 CHEMBL123482,6 1,9 205.3,11 2,13 11.615,16 20.79,17 0.025,18 19.261,19 4.861,20 4.861,22 3.677,24 1,25 4,26 7.713,29 6.687,30 11.615,31 4.657,32 4.657,33 4.687,34 4.687,37 4.713,38 4.713,39 4.713,41 0.03,42 4.752,43 3.399,44 3.399,45 3.399,46 2,47 4.711,49 12.51,50 12.51,51 12.51,53 7.308,54 7.308,55 2,56 12,57 28.02,58 23.873,59 12,60 4,62 19.876,63 16.491,64 2.104,65 0.5,66 2.558,68 7.244}
{0 CHEMBL123535,8 1,9 146.97,11 1,13 5.807,16 20.145,17 0.015,18 18.612,19 4.854,20 4.854,21 1,22 3.302,23 2,24 2,25 2,26 7.704,29 6.69,30 5.807,31 3.44,32 3.44,33 4.69,34 4.69,37 4.704,38 4.704,39 4.704,41 0.034,42 4.736,43 3.39,44 3.39,45 3.39,46 1,47 3.755,49 12.497,50 12.497,51 12.497,53 7.307,54 7.307,56 6,57 5.807,58 23.235,59 6,60 4,62 19.817,63 10.195,64 2.08,65 0.83,66 1.545,68 6.824}
{0 CHEMBL123539,1 1,2 2,3 1,4 1,5 2.398,7 2,8 1,9 192.79,10 1,11 2,12 1,13 37.085,14 3,15 67.21,16 20.067,17 0.209,18 18.537,19 4.81,20 4.81,21 1,22 3.433,23 3,24 3,25 2,26 7.32,28 6.812,29 6.454,30 37.085,31 3.478,32 3.478,33 4.663,34 4.663,36 0.652,37 4.673,38 4.673,39 4.673,41 0.029,42 4.776,43 3.327,44 3.327,45 3.327,46 2,47 4.024,49 11.699,50 11.699,51 11.699,52 31.278,53 7.118,54 7.118,55 3,56 5,57 39.133,58 23.14,59 5,61 6.605,62 18.726,63 10.999,64 1.908,65 0.83,66 1.445,67 4.595,68 8.046}
{0 CHEMBL123599,1 1,2 1,3 1,4 1,5 2.398,7 1,8 2,9 154.24,11 2,13 37.085,14 4,15 50.033,16 20.538,17 0.18,18 19.006,19 4.883,20 4.883,22 3.465,23 2,24 3,25 2,26 7.779,27 1,28 4.009,29 6.693,30 37.085,31 4.26,32 4.26,33 4.693,34 4.693,35 1,36 0.935,37 4.779,38 4.779,39 4.779,40 2,41 0.024,42 4.79,43 3.419,44 3.419,45 3.419,46 2,47 4.158,48 94.456,49 12.57,50 12.57,51 12.57,52 31.278,53 7.32,54 7.32,55 1,56 11,57 22.593,58 23.628,59 9,61 6.862,62 20.108,63 11.574,64 1.98,65 0.83,66 2.845,67 4.727,68 7.824}
{0 CHEMBL123603,8 2,9 144.96,11 1,13 5.807,16 20.147,17 0.076,18 18.615,19 4.854,20 4.854,22 3.229,23 2,24 1,26 7.704,29 6.69,30 5.807,31 3.437,32 3.437,33 4.69,34 4.69,37 4.704,38 4.704,39 4.704,41 0.039,42 4.736,43 3.39,44 3.39,45 3.39,46 1,47 3.742,49 12.498,50 12.498,51 12.498,53 7.307,54 7.307,55 6,56 6,57 5.807,58 23.235,59 6,60 4,62 19.829,63 10.181,64 2.074,65 0.83,66 1.468,68 7.051}
{0 CHEMBL123606,1 1,4 1,5 2.398,8 4,9 210.61,10 1,11 3,12 1,13 43.834,14 3,15 86.523,16 20.824,17 0.201,18 19.286,19 4.89,20 4.89,21 1,22 3.748,23 4,24 2,25 4,26 7.761,29 7.233,30 43.834,31 4.628,32 4.628,33 5.233,34 5.233,37 4.761,38 4.761,39 4.761,41 0.028,42 4.774,43 3.417,44 3.417,45 3.417,46 3,47 4.713,49 12.534,50 12.534,51 12.534,52 32.22,53 7.313,54 7.313,55 2,56 11,57 11.615,58 23.916,59 11,61 6.823,62 19.941,63 15.677,64 2.061,65 0.67,66 3.286,67 4.727,68 8.155}
{0 CHEMBL123652,6 2,9 109.67,11 1,13 5.807,16 20.025,17 -0.013,18 18.502,19 4.801,20 4.801,22 3.098,24 1,26 7.66,29 6.661,30 5.807,31 3.432,32 3.432,33 4.661,34 4.661,37 4.66,38 4.66,39 4.66,41 0.043,42 4.728,43 3.313,44 3.313,45 3.313,46 1,47 3.766,49 11.657,50 11.657,51 11.657,53 7.111,54 7.111,55 2,56 6,57 5.807,58 23.096,59 6,60 4,62 18.533,63 8.942,64 2.074,65 1,66 1.107,68 7.131}
{0 CHEMBL123775,8 2,9 140.91,11 1,12 2,13 5.807,14 4,16 20.773,17 0.11,18 19.231,19 5.03,20 5.03,22 3.578,24 2,25 2,26 7.88,29 6.793,30 5.807,31 4.121,32 4.121,33 4.793,34 4.793,37 4.88,38 4.88,39 4.88,41 0.033,42 4.748,43 3.639,44 3.639,45 3.639,46 1,47 3.946,49 14.531,50 14.531,51 14.531,53 7.848,54 7.848,56 12,57 11.477,58 23.894,59 12,60 1,62 23.271,63 12.568,64 2.094,65 0.83,66 2.737,68 6.699}
{0 CHEMBL123827,6 2,8 1,9 207.31,11 2,13 11.615,16 20.783,17 -0.021,18 19.254,19 4.858,20 4.858,21 1,22 3.676,24 2,26 7.709,29 6.686,30 11.615,31 4.657,32 4.657,33 4.686,34 4.686,37 4.709,38 4.709,39 4.709,41 0.031,42 4.749,43 3.394,44 3.394,45 3.394,46 2,47 4.715,49 12.508,50 12.508,51 12.508,53 7.308,54 7.308,56 12,57 28.02,58 23.865,59 12,60 4,62 19.853,63 16.113,64 2.102,65 0.5,66 2.433,68 7.18}
{0 CHEMBL123877,6 1,9 123.66,11 1,13 5.807,16 20.092,17 -0.016,18 18.573,19 4.809,20 4.809,21 1,22 3.214,24 1,26 7.671,29 6.663,30 44.956,31 3.751,32 3.751,33 4.663,34 4.663,37 4.671,38 4.671,39 4.671,41 0.033,42 4.73,43 3.327,44 3.327,45 3.327,46 2,47 3.949,49 11.698,50 11.698,51 11.698,53 7.118,54 7.118,56 6,57 44.956,58 23.156,59 6,60 1,62 18.711,63 9.12,64 2.054,65 1,66 1.293,68 7.108}
{0 CHEMBL123878,6 1,9 123.66,11 1,13 5.807,16 20.092,17 -0.024,18 18.573,19 4.809,20 4.809,21 1,22 2.811,24 1,26 7.671,29 6.663,30 5.807,31 3.751,32 3.751,33 4.663,34 4.663,37 4.671,38 4.671,39 4.671,41 0.033,42 4.729,43 3.327,44 3.327,45 3.327,46 1,47 3.794,49 11.698,50 11.698,51 11.698,53 7.118,54 7.118,56 6,57 5.807,58 23.156,59 6,60 1,62 18.711,63 8.22,64 2.059,65 1,66 0.986,68 7.337}
{0 CHEMBL123982,6 2,9 121.7,11 1,13 5.807,16 20.025,17 -0.02,18 18.502,19 4.801,20 4.801,22 3.078,24 2,26 7.66,29 6.661,30 5.807,31 3.432,32 3.432,33 4.661,34 4.661,37 4.66,38 4.66,39 4.66,41 0.043,42 4.728,43 3.313,44 3.313,45 3.313,46 1,47 3.75,49 11.657,50 11.657,51 11.657,53 7.111,54 7.111,55 2,56 6,57 23.696,58 23.096,59 6,60 4,62 18.533,63 8.942,64 2.064,65 1,66 0.949,68 6.553}
{0 CHEMBL124046,6 2,8 1,9 152.76,11 1,13 5.807,16 20.028,17 -0.024,18 18.507,19 4.801,20 4.801,21 1,22 3.319,24 2,26 7.66,29 6.661,30 5.807,31 3.46,32 3.46,33 4.661,34 4.661,37 4.66,38 4.66,39 4.66,41 0.031,42 4.728,43 3.313,44 3.313,45 3.313,46 1,47 3.77,49 11.657,50 11.657,51 11.657,53 7.111,54 7.111,56 6,57 5.807,58 23.098,59 6,60 2,62 18.535,63 9.902,64 2.066,65 0.67,66 1.053,68 6.812}
{0 CHEMBL124165,6 2,9 150.75,11 1,13 5.807,16 20.03,17 0.046,18 18.51,19 4.801,20 4.801,22 3.259,24 1,26 7.66,29 6.661,30 5.807,31 3.462,32 3.462,33 4.661,34 4.661,37 4.66,38 4.66,39 4.66,41 0.034,42 4.728,43 3.313,44 3.313,45 3.313,46 1,47 3.774,49 11.657,50 11.657,51 11.657,53 7.111,54 7.111,56 6,57 5.807,58 23.099,59 6,60 2,62 18.535,63 10.269,64 2.066,65 0.67,66 1.036,68 6.854}
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{0 CHEMBL13410,1 1,6 3,9 218.97,11 4,13 88.788,16 20.863,17 -0.004,18 19.32,19 4.916,20 4.916,22 3.832,24 1,25 2,26 7.803,29 6.743,30 127.937,31 4.598,32 4.598,33 4.743,34 4.743,37 4.803,38 4.803,39 4.803,41 0.052,42 4.778,43 3.463,44 3.463,45 3.463,46 5,47 4.681,49 12.535,50 12.535,51 12.535,52 77.173,53 7.321,54 7.321,55 1,56 12,57 67.169,58 23.965,59 12,60 4,62 20.184,63 16.298,64 2.089,65 0.83,66 3.531,68 7.046}
{0 CHEMBL13541,1 1,6 2,9 162.46,11 3,13 82.98,16 20.028,17 0.043,18 18.507,19 4.801,20 4.801,22 3.539,24 1,26 7.66,29 6.661,30 82.98,31 3.429,32 3.429,33 4.661,34 4.661,37 4.66,38 4.66,39 4.66,41 0.035,42 4.728,43 3.313,44 3.313,45 3.313,46 3,47 4.124,49 11.657,50 11.657,51 11.657,52 77.173,53 7.111,54 7.111,55 3,56 12,57 23.696,58 23.097,59 12,60 4,62 18.533,63 11.893,64 2.062,65 0.83,66 1.875,68 6.187}
{0 CHEMBL13555,1 1,6 1,9 204.98,11 4,13 88.788,16 20.789,17 0.021,18 19.26,19 4.861,20 4.861,22 3.726,24 1,25 4,26 7.713,29 6.687,30 88.788,31 4.657,32 4.657,33 4.687,34 4.687,37 4.713,38 4.713,39 4.713,41 0.033,42 4.752,43 3.399,44 3.399,45 3.399,46 4,47 4.711,49 12.51,50 12.51,51 12.51,52 77.173,53 7.308,54 7.308,55 2,56 18,57 44.425,58 23.872,59 18,60 4,62 19.876,63 17.73,64 2.101,65 0.83,66 3.536,68 8}
{0 CHEMBL13614,1 2,2 2,3 1,4 1,5 2.398,7 2,8 2,9 259,10 1,11 5,12 1,13 120.066,14 2,15 98.113,16 20.802,17 0.097,18 19.269,19 4.864,20 4.864,21 1,22 3.979,23 4,24 3,25 4,26 7.717,28 6.83,29 6.687,30 120.066,31 4.661,32 4.661,33 4.687,34 4.687,36 0.52,37 4.717,38 4.717,39 4.717,41 0.032,42 4.796,43 3.402,44 3.402,45 3.402,46 5,47 4.717,49 12.511,50 12.511,51 12.511,52 108.451,53 7.309,54 7.309,55 2,56 17,57 77.751,58 23.885,59 17,60 2,61 6.605,62 19.872,63 18.08,64 2.059,65 0.67,66 3.89,67 4.595,68 8.398}
{0 CHEMBL13630,1 1,4 1,5 2.398,8 4,9 195.5,10 1,11 3,12 1,13 43.834,14 3,15 64.586,16 20.821,17 0.19,18 19.282,19 4.889,20 4.889,21 1,22 3.7,23 4,24 1,25 4,26 7.76,29 7.233,30 43.834,31 4.628,32 4.628,33 5.233,34 5.233,37 4.76,38 4.76,39 4.76,41 0.032,42 4.774,43 3.417,44 3.417,45 3.417,46 3,47 4.713,49 12.534,50 12.534,51 12.534,52 32.22,53 7.313,54 7.313,55 2,56 11,57 11.615,58 23.914,59 11,61 6.823,62 19.938,63 13.786,64 2.057,65 0.83,66 3.079,67 4.727,68 0.903}
{0 CHEMBL13646,1 1,2 2,3 1,4 1,5 2.398,7 2,8 1,9 177.68,10 2,11 2,12 1,13 37.085,14 3,15 45.833,16 20.065,17 0.217,18 18.534,19 4.81,20 4.81,21 1,22 2.998,23 3,24 2,25 2,26 7.32,28 6.752,29 6.452,30 37.085,31 3.478,32 3.478,33 4.663,34 4.663,36 0.686,37 4.673,38 4.673,39 4.673,41 0.03,42 4.776,43 3.327,44 3.327,45 3.327,46 2,47 4.024,49 11.699,50 11.699,51 11.699,52 31.278,53 7.118,54 7.118,55 2,56 5,57 39.133,58 23.14,59 5,61 6.605,62 18.726,63 8.963,64 1.874,65 0.83,66 1.217,67 4.595,68 2.1}
{0 CHEMBL138009,6 2,9 109.67,11 1,13 5.807,16 20.441,17 -0.03,18 18.954,19 5.278,20 5.278,22 3.723,24 1,26 7.66,29 7.033,30 5.807,31 4.283,32 4.283,33 5.033,34 5.033,37 4.66,38 4.66,39 4.66,41 0.038,42 4.728,43 4.276,44 4.276,45 4.276,46 1,47 3.97,49 19.649,50 19.649,51 19.649,53 9.33,54 9.33,55 2,56 6,57 23.696,58 23.442,59 6,60 4,62 31.202,63 10.71,64 2.064,65 0.83,66 1.501,68 6.076}
{0 CHEMBL13802,1 2,2 2,3 1,4 1,5 2.398,7 2,8 1,9 233.55,10 1,11 4,12 1,13 114.258,14 3,15 81.463,16 20.07,17 0.161,18 18.541,19 4.81,20 4.81,21 1,22 3.578,23 3,24 3,25 3,26 7.32,28 6.953,29 6.454,30 114.258,31 3.478,32 3.478,33 4.663,34 4.663,36 0.699,37 4.673,38 4.673,39 4.673,41 0.022,42 4.776,43 3.327,44 3.327,45 3.327,46 4,47 4.126,49 11.699,50 11.699,51 11.699,52 108.451,53 7.118,54 7.118,55 3,56 11,57 39.133,58 23.142,59 11,61 6.605,62 18.726,63 13.95,64 1.943,65 0.83,66 2.519,67 4.595,68 7.678}
{0 CHEMBL138022,6 2,7 1,9 135.8,11 1,13 5.807,14 3,16 20.163,17 -0.075,18 18.665,19 4.808,20 4.808,22 3.283,24 1,25 2,26 7.668,28 3.711,29 6.662,30 5.807,31 3.958,32 3.958,33 4.662,34 4.662,37 4.668,38 4.668,39 4.668,41 0.039,42 4.728,43 3.326,44 3.326,45 3.326,46 1,47 3.911,49 11.703,50 11.703,51 11.703,53 7.118,54 7.118,55 1,56 12,57 22.593,58 23.206,59 12,60 3,62 18.833,63 11.167,64 2.076,65 1,66 1.49,68 2.48}
{0 CHEMBL138115,6 1,9 123.09,11 2,13 11.615,16 20.793,17 -0.047,18 19.259,19 5.001,20 5.001,22 3.583,26 7.707,29 7.419,30 11.615,31 4.662,32 4.662,33 5.419,34 5.419,37 4.707,38 4.707,39 4.707,41 0.039,42 6.88,43 3.692,44 3.692,45 3.692,46 3,47 4.751,49 14.444,50 14.444,51 14.444,52 45.954,53 8.105,54 8.105,56 6,57 28.02,58 23.875,59 6,60 1,62 22.694,63 11.889,64 2.066,65 1,66 2.241,68 4.328}
{0 CHEMBL138178,6 2,9 97.64,11 1,13 5.807,16 20.522,17 -0.033,18 19.025,19 5.278,20 5.278,22 3.701,26 7.705,29 7.033,30 5.807,31 4.283,32 4.283,33 5.033,34 5.033,37 4.705,38 4.705,39 4.705,41 0.038,42 4.73,43 4.276,44 4.276,45 4.276,46 1,47 3.97,49 19.649,50 19.649,51 19.649,53 9.33,54 9.33,56 6,57 5.807,58 23.543,59 6,60 3,62 31.202,63 10.283,64 2.067,65 0.83,66 1.622,68 5.824}
{0 CHEMBL138253,1 1,4 1,5 2.398,8 4,9 169.48,10 1,11 3,12 1,13 43.834,14 3,15 76.619,16 21.081,17 0.102,18 19.532,19 4.982,20 4.982,21 1,22 3.782,23 4,24 1,25 4,26 7.875,29 7.233,30 43.834,31 4.63,32 4.63,33 5.233,34 5.233,37 4.875,38 4.875,39 4.875,41 0.026,42 4.776,43 3.542,44 3.542,45 3.542,46 3,47 4.716,49 13.557,50 13.557,51 13.557,52 32.22,53 7.556,54 7.556,55 2,56 11,57 11.615,58 24.196,59 11,61 6.823,62 21.643,63 13.164,64 2.019,65 0.83,66 3.079,67 4.727,68 8.046}
{0 CHEMBL138255,6 2,7 1,9 135.8,11 1,13 5.807,14 3,16 20.15,17 -0.075,18 18.653,19 4.802,20 4.802,22 3.273,24 1,25 2,26 7.662,28 3.728,29 6.661,30 5.807,31 3.963,32 3.963,33 4.661,34 4.661,37 4.662,38 4.662,39 4.662,41 0.038,42 4.728,43 3.316,44 3.316,45 3.316,46 1,47 3.914,49 11.659,50 11.659,51 11.659,53 7.111,54 7.111,55 1,56 12,57 22.593,58 23.189,59 12,60 3,62 18.631,63 11.155,64 2.075,65 1,66 1.366,68 2.205}
{0 CHEMBL138260,6 1,7 1,9 135.8,11 1,13 5.807,14 3,16 20.221,17 -0.065,18 18.725,19 4.811,20 4.811,22 3.334,24 1,25 2,26 7.673,28 3.71,29 6.663,30 44.956,31 4.034,32 4.034,33 4.663,34 4.663,37 4.673,38 4.673,39 4.673,41 0.033,42 4.73,43 3.333,44 3.333,45 3.333,46 2,47 3.993,49 11.708,50 11.708,51 11.708,53 7.12,54 7.12,55 1,56 12,57 61.742,58 23.258,59 12,60 2,62 18.97,63 12.065,64 2.065,65 1,66 1.737,68 1.9}
{0 CHEMBL138309,6 2,9 94.84,11 1,13 5.807,14 1,16 20.441,17 -0.001,18 18.954,19 5.278,20 5.278,22 3.731,25 2,26 7.66,29 7.034,30 5.807,31 4.283,32 4.283,33 5.034,34 5.034,37 4.66,38 4.66,39 4.66,41 0.038,42 4.728,43 4.276,44 4.276,45 4.276,46 1,47 3.97,49 19.649,50 19.649,51 19.649,53 9.33,54 9.33,55 1,56 6,57 5.807,58 23.442,59 6,60 2,62 31.202,63 10.71,64 2.069,65 0.67,66 1.591,68 4.959}
{0 CHEMBL13851,1 1,6 2,9 141.2,11 3,13 82.98,14 1,16 20.028,17 0.143,18 18.506,19 4.801,20 4.801,22 3.315,24 1,26 7.66,29 6.661,30 82.98,31 3.434,32 3.434,33 4.661,34 4.661,37 4.66,38 4.66,39 4.66,41 0.048,42 4.728,43 3.313,44 3.313,45 3.313,46 3,47 4.124,49 11.657,50 11.657,51 11.657,52 77.173,53 7.111,54 7.111,56 6,57 22.212,58 23.097,59 6,60 2,62 18.533,63 10.494,64 2.059,65 0.83,66 1.433,68 6.854}
{0 CHEMBL138530,6 2,9 97.64,11 1,13 5.807,14 1,16 20.441,17 -0.106,18 18.939,19 4.801,20 4.801,22 3.287,26 7.66,29 6.661,30 5.807,31 4.428,32 4.428,33 4.661,34 4.661,37 4.66,38 4.66,39 4.66,41 0.037,42 4.728,43 3.316,44 3.316,45 3.316,46 1,47 3.99,49 11.658,50 11.658,51 11.658,53 7.111,54 7.111,56 12,57 5.807,58 23.478,59 12,60 2,62 19.658,63 10.082,64 2.068,65 1,66 1.366,68 6.222}
{0 CHEMBL138603,1 1,4 1,5 2.398,8 4,9 224.03,10 1,11 4,12 1,13 49.642,14 3,15 120.275,16 21.411,17 0.05,18 19.867,19 4.964,20 4.964,21 1,22 3.851,23 4,24 1,25 4,26 7.839,29 7.233,30 49.642,31 4.76,32 4.76,33 5.233,34 5.233,37 4.839,38 4.839,39 4.839,41 0.03,42 4.78,43 3.537,44 3.537,45 3.537,46 4,47 4.736,49 13.548,50 13.548,51 13.548,52 32.22,53 7.554,54 7.554,55 2,56 17,57 33.827,58 24.518,59 17,61 6.823,62 21.614,63 19.375,64 2.088,65 0.5,66 4.474,67 4.727,68 8.046}
{0 CHEMBL138812,1 1,2 2,3 1,4 1,5 2.398,7 2,8 1,9 206.21,10 1,11 3,12 1,13 42.893,14 3,15 115.469,16 20.91,17 0.113,18 19.373,19 5.25,20 5.25,21 1,22 3.784,23 3,24 2,25 2,26 7.4,28 6.177,29 7.222,30 42.893,31 4.673,32 4.673,33 5.428,34 5.428,36 0.205,37 4.753,38 4.753,39 4.753,41 0.033,42 4.778,43 4.161,44 4.161,45 4.161,46 3,47 4.742,49 18.714,50 18.714,51 18.714,52 31.278,53 9.14,54 9.14,55 2,56 5,57 44.941,58 23.994,59 5,61 6.605,62 29.639,63 13.666,64 1.991,65 0.67,66 2.274,67 4.595,68 7.959}
{0 CHEMBL138847,1 1,4 1,5 2.398,8 4,9 198.58,10 1,11 3,12 1,13 43.834,14 3,15 186.307,16 21.033,17 0.119,18 19.518,19 5.278,20 5.278,21 1,22 3.833,23 4,24 1,25 4,26 7.761,29 7.233,30 43.834,31 4.628,32 4.628,33 5.233,34 5.233,37 4.761,38 4.761,39 4.761,41 0.034,42 4.774,43 4.276,44 4.276,45 4.276,46 3,47 4.713,49 19.649,50 19.649,51 19.649,52 32.22,53 9.33,54 9.33,55 2,56 11,57 11.615,58 24.084,59 11,61 6.823,62 31.202,63 17.444,64 2.06,65 0.5,66 3.858,67 4.727,68 7.921}
{0 CHEMBL138920,1 1,2 2,3 1,4 1,5 2.398,7 2,8 1,9 206.21,10 1,11 3,12 1,13 42.893,14 3,15 99.45,16 21.052,17 0.041,18 19.509,19 4.957,20 4.957,21 1,22 3.845,23 3,24 2,25 2,26 7.832,28 6.486,29 6.751,30 42.893,31 4.673,32 4.673,33 4.751,34 4.751,36 0.389,37 4.832,38 4.832,39 4.832,41 0.032,42 4.778,43 3.528,44 3.528,45 3.528,46 3,47 4.738,49 13.493,50 13.493,51 13.493,52 31.278,53 7.546,54 7.546,55 2,56 11,57 44.941,58 24.156,59 11,61 6.605,62 21.493,63 14.713,64 2.043,65 0.83,66 2.631,67 4.595,68 8.046}
{0 CHEMBL138972,6 2,9 123.09,11 2,13 11.615,16 20.747,17 0.068,18 19.213,19 4.991,20 4.991,22 3.108,26 7.688,29 7.418,30 11.615,31 4.66,32 4.66,33 5.418,34 5.418,37 4.688,38 4.688,39 4.688,41 0.056,42 4.748,43 3.683,44 3.683,45 3.683,46 2,47 4.723,49 14.385,50 14.385,51 14.385,53 8.099,54 8.099,55 2,56 6,57 11.615,58 23.828,59 6,60 4,62 22.5,63 10.975,64 2.081,65 1,66 1.437,68 4.611}
{0 CHEMBL139,9 49.33,14 1,16 18.428,17 0.019,18 17.131,19 4.375,20 4.375,22 3.385,26 7.024,29 5.644,30 78.297,31 3.768,32 3.768,33 3.644,34 3.644,37 4.024,38 4.024,39 4.024,41 0.024,42 4.107,43 3.029,44 3.029,45 3.029,46 2,47 3.851,49 9.9,50 9.9,51 9.9,53 6.441,54 6.441,56 12,57 78.297,58 21.186,59 12,60 3,62 16.459,63 8.961,64 2.043,65 1,66 1.344,68 4}
{0 CHEMBL139023,6 2,9 123.09,11 2,13 11.615,16 20.747,17 0.102,18 19.212,19 4.991,20 4.991,22 3.191,26 7.687,29 7.418,30 11.615,31 4.66,32 4.66,33 5.418,34 5.418,37 4.687,38 4.687,39 4.687,41 0.048,42 4.746,43 3.682,44 3.682,45 3.682,46 2,47 4.725,49 14.384,50 14.384,51 14.384,53 8.099,54 8.099,56 6,57 11.615,58 23.828,59 6,60 4,62 22.491,63 11.329,64 2.082,65 1,66 1.5,68 4.301}
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{0 CHEMBL13929,1 1,6 2,9 150.43,11 3,13 82.98,16 20.028,17 0.044,18 18.507,19 4.801,20 4.801,22 3.524,24 1,26 7.66,29 6.661,30 82.98,31 3.434,32 3.434,33 4.661,34 4.661,37 4.66,38 4.66,39 4.66,41 0.042,42 4.728,43 3.313,44 3.313,45 3.313,46 3,47 4.13,49 11.657,50 11.657,51 11.657,52 77.173,53 7.111,54 7.111,56 12,57 22.212,58 23.097,59 12,60 2,62 18.533,63 11.507,64 2.059,65 0.83,66 2.015,68 7}
{0 CHEMBL139539,6 1,9 177.64,11 3,13 17.422,16 21.293,17 -0.035,18 19.757,19 5.252,20 5.252,22 3.787,25 4,26 7.763,29 7.428,30 17.422,31 4.711,32 4.711,33 5.428,34 5.428,37 4.763,38 4.763,39 4.763,41 0.034,42 4.766,43 4.162,44 4.162,45 4.162,46 3,47 4.732,49 18.719,50 18.719,51 18.719,53 9.14,54 9.14,55 2,56 12,57 50.232,58 24.381,59 12,60 4,62 29.653,63 17.475,64 2.109,65 0.67,66 3.323,68 7.444}
{0 CHEMBL139549,6 2,9 135.12,11 2,13 11.615,16 20.893,17 -0.029,18 19.359,19 5.25,20 5.25,22 3.714,24 2,26 7.754,29 7.427,30 11.615,31 4.66,32 4.66,33 5.427,34 5.427,37 4.754,38 4.754,39 4.754,41 0.041,42 4.749,43 4.161,44 4.161,45 4.161,46 2,47 4.723,49 18.714,50 18.714,51 18.714,53 9.14,54 9.14,55 2,56 6,57 29.503,58 23.976,59 6,60 4,62 29.639,63 11.609,64 2.071,65 1,66 1.681,68 6.222}
{0 CHEMBL139563,6 1,9 97.64,11 1,13 5.807,14 1,16 20.484,17 -0.049,18 18.984,19 4.809,20 4.809,22 3.642,26 7.671,29 6.662,30 5.807,31 4.428,32 4.428,33 4.662,34 4.662,37 4.671,38 4.671,39 4.671,41 0.031,42 6.88,43 3.33,44 3.33,45 3.33,46 2,47 4.726,49 11.7,50 11.7,51 11.7,52 45.954,53 7.118,54 7.118,56 12,57 5.807,58 23.519,59 12,60 1,62 19.7,63 11.353,64 2.055,65 1,66 2.058,68 6.063}
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{0 CHEMBL14039,1 1,6 1,9 150.43,11 3,13 82.98,16 20.041,17 0.044,18 18.518,19 4.805,20 4.805,22 3.526,24 1,26 7.665,29 6.662,30 82.98,31 3.429,32 3.429,33 4.662,34 4.662,37 4.665,38 4.665,39 4.665,41 0.033,42 4.729,43 3.319,44 3.319,45 3.319,46 3,47 4.129,49 11.689,50 11.689,51 11.689,52 77.173,53 7.116,54 7.116,56 12,57 22.212,58 23.112,59 12,60 2,62 18.661,63 11.519,64 2.059,65 0.83,66 2.167,68 6.538}
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{0 CHEMBL171589,6 5,9 72.42,11 1,13 5.807,16 20.252,17 0.039,18 18.767,19 4.801,20 4.801,22 3.7,26 7.66,29 6.661,30 5.807,31 4.169,32 4.169,33 4.661,34 4.661,37 4.66,38 4.66,39 4.66,41 0.038,42 4.728,43 3.313,44 3.313,45 3.313,46 1,47 4.014,49 11.657,50 11.657,51 11.657,53 7.111,54 7.111,56 18,57 7.707,58 23.279,59 18,60 2,62 18.578,63 13.678,64 2.139,65 1,66 2.986,68 7.678}
{0 CHEMBL171625,6 6,9 72.42,11 1,13 5.807,16 20.392,17 -0.002,18 18.911,19 4.803,20 4.803,22 3.734,26 7.663,29 6.661,30 5.807,31 4.337,32 4.337,33 4.661,34 4.661,37 4.663,38 4.663,39 4.663,41 0.027,42 4.729,43 3.324,44 3.324,45 3.324,46 1,47 4.058,49 11.713,50 11.713,51 11.713,53 7.112,54 7.112,56 24,57 7.707,58 23.417,59 24,60 2,62 18.971,63 15.182,64 2.158,65 1,66 3.218,68 5.829}
{0 CHEMBL171792,6 5,9 72.42,11 1,13 5.807,16 20.323,17 0.047,18 18.835,19 4.803,20 4.803,22 3.579,26 7.663,29 6.661,30 5.807,31 4.266,32 4.266,33 4.661,34 4.661,37 4.663,38 4.663,39 4.663,41 0.028,42 4.729,43 3.32,44 3.32,45 3.32,46 1,47 4.032,49 11.665,50 11.665,51 11.665,53 7.112,54 7.112,56 18,57 7.707,58 23.351,59 18,60 2,62 18.648,63 13.669,64 2.153,65 1,66 2.96,68 6.712}
{0 CHEMBL172567,6 7,9 72.42,11 1,13 5.807,16 20.326,17 -0.011,18 18.85,19 4.801,20 4.801,22 3.74,26 7.661,29 6.661,30 5.807,31 4.261,32 4.261,33 4.661,34 4.661,37 4.661,38 4.661,39 4.661,41 0.03,42 4.728,43 3.314,44 3.314,45 3.314,46 1,47 4.047,49 11.657,50 11.657,51 11.657,53 7.111,54 7.111,56 24,57 7.707,58 23.348,59 24,60 2,62 18.855,63 15.23,64 2.15,65 1,66 3.256,68 6.007}
{0 CHEMBL1795050,6 4,9 294.82,11 2,13 11.615,16 20.722,17 -0.044,18 19.2,19 4.801,20 4.801,22 3.764,24 4,26 7.66,29 6.661,30 11.615,31 4.66,32 4.66,33 4.661,34 4.661,37 4.66,38 4.66,39 4.66,41 0.032,42 4.735,43 3.313,44 3.313,45 3.313,46 2,47 4.721,49 11.657,50 11.657,51 11.657,53 7.111,54 7.111,56 12,57 11.615,58 23.791,59 12,60 4,62 18.535,63 23.785,64 2.067,65 0.17,66 2.915,68 7.119}
{0 CHEMBL1795051,6 4,9 294.82,11 2,13 11.615,16 20.72,17 -0.044,18 19.198,19 4.801,20 4.801,22 3.758,24 4,26 7.66,29 6.661,30 11.615,31 4.66,32 4.66,33 4.661,34 4.661,37 4.66,38 4.66,39 4.66,41 0.032,42 4.736,43 3.313,44 3.313,45 3.313,46 2,47 4.721,49 11.657,50 11.657,51 11.657,53 7.111,54 7.111,56 12,57 11.615,58 23.79,59 12,60 8,62 18.533,63 25.175,64 2.079,65 0.17,66 3.421,68 7.921}
{0 CHEMBL1795052,6 4,9 294.82,11 2,13 11.615,16 20.72,17 -0.048,18 19.198,19 4.801,20 4.801,22 3.76,24 4,26 7.66,29 6.661,30 11.615,31 4.66,32 4.66,33 4.661,34 4.661,37 4.66,38 4.66,39 4.66,41 0.03,42 4.736,43 3.313,44 3.313,45 3.313,46 2,47 4.721,49 11.657,50 11.657,51 11.657,53 7.111,54 7.111,55 4,56 12,57 11.615,58 23.79,59 12,60 8,62 18.533,63 24.468,64 2.075,65 0.17,66 3.244,68 7.796}
{0 CHEMBL1795054,6 4,9 276.36,11 2,13 11.615,16 20.72,17 -0.024,18 19.198,19 4.801,20 4.801,22 3.755,24 4,26 7.66,29 6.661,30 11.615,31 4.66,32 4.66,33 4.661,34 4.661,37 4.66,38 4.66,39 4.66,41 0.032,42 4.735,43 3.313,44 3.313,45 3.313,46 2,47 4.721,49 11.657,50 11.657,51 11.657,53 7.111,54 7.111,56 12,57 11.615,58 23.79,59 12,60 8,62 18.533,63 23.054,64 2.079,65 0.17,66 3.235,68 7.886}
{0 CHEMBL1795055,6 4,9 276.36,11 2,13 11.615,16 20.72,17 -0.031,18 19.198,19 4.801,20 4.801,22 3.755,24 4,26 7.66,29 6.661,30 11.615,31 4.66,32 4.66,33 4.661,34 4.661,37 4.66,38 4.66,39 4.66,41 0.03,42 4.735,43 3.313,44 3.313,45 3.313,46 2,47 4.721,49 11.657,50 11.657,51 11.657,53 7.111,54 7.111,55 4,56 12,57 11.615,58 23.79,59 12,60 8,62 18.533,63 22.347,64 2.075,65 0.17,66 3.058,68 8}
{0 CHEMBL1795056,1 2,4 2,5 3.045,8 8,9 409.68,10 2,11 4,12 2,13 76.054,14 6,15 367.276,16 20.646,17 0.207,18 19.125,19 4.817,20 4.817,21 2,22 3.895,23 6,24 5,25 4,26 7.271,29 6.922,30 76.054,31 4.632,32 4.632,33 5.232,34 5.232,37 4.632,38 4.632,39 4.632,41 0.021,42 4.755,43 3.349,44 3.349,45 3.349,46 4,47 4.741,49 11.767,50 11.767,51 11.767,52 64.439,53 7.13,54 7.13,55 2,56 10,57 11.615,58 23.701,59 10,61 7.516,62 18.98,63 26.467,64 1.989,65 0.17,66 4.585,67 5.416,68 8.301}
{0 CHEMBL1795058,6 4,9 276.36,11 2,13 11.615,16 20.722,17 -0.029,18 19.2,19 4.801,20 4.801,22 3.755,24 4,26 7.66,29 6.661,30 11.615,31 4.66,32 4.66,33 4.661,34 4.661,37 4.66,38 4.66,39 4.66,41 0.032,42 4.735,43 3.313,44 3.313,45 3.313,46 2,47 4.721,49 11.657,50 11.657,51 11.657,53 7.111,54 7.111,56 12,57 11.615,58 23.791,59 12,60 4,62 18.535,63 21.663,64 2.068,65 0.17,66 2.728,68 6.678}
{0 CHEMBL1795059,1 2,2 4,3 2,4 2,5 3.045,7 4,8 4,9 384.4,10 2,11 4,12 2,13 74.17,14 4,15 287.52,16 20.76,17 0.171,18 19.23,19 4.81,20 4.81,21 2,22 4.021,23 6,24 8,25 4,26 7.32,28 13.541,29 6.453,30 74.17,31 4.673,32 4.673,33 4.663,34 4.663,36 0.951,37 4.673,38 4.673,39 4.673,41 0.027,42 4.784,43 3.327,44 3.327,45 3.327,46 4,47 4.769,49 11.699,50 11.699,51 11.699,52 62.555,53 7.118,54 7.118,55 2,56 10,57 78.267,58 23.833,59 10,61 7.298,62 18.726,63 22.388,64 1.969,65 0.17,66 3.214,67 5.283,68 8.301}
{0 CHEMBL1795060,1 2,4 2,5 3.045,8 8,9 369.14,10 2,11 4,12 2,13 76.054,14 6,15 301.703,16 20.645,17 0.223,18 19.124,19 4.817,20 4.817,21 2,22 3.894,23 6,24 4,25 4,26 7.271,29 6.87,30 76.054,31 4.632,32 4.632,33 5.232,34 5.232,37 4.632,38 4.632,39 4.632,41 0.023,42 4.755,43 3.349,44 3.349,45 3.349,46 4,47 4.741,49 11.767,50 11.767,51 11.767,52 64.439,53 7.13,54 7.13,55 2,56 10,57 11.615,58 23.7,59 10,61 7.516,62 18.98,63 23.394,64 1.966,65 0.17,66 4.079,67 5.416,68 8.097}
{0 CHEMBL1795062,6 4,9 316.9,11 2,13 11.615,16 20.721,17 -0.021,18 19.199,19 4.801,20 4.801,22 3.758,24 5,26 7.66,29 6.661,30 11.615,31 4.66,32 4.66,33 4.661,34 4.661,37 4.66,38 4.66,39 4.66,41 0.029,42 4.736,43 3.313,44 3.313,45 3.313,46 2,47 4.721,49 11.657,50 11.657,51 11.657,53 7.111,54 7.111,56 12,57 11.615,58 23.79,59 12,60 8,62 18.533,63 26.127,64 2.079,65 0.17,66 3.741,68 7.796}
{0 CHEMBL1795064,1 2,2 4,3 2,4 2,5 3.045,7 4,8 4,9 402.86,10 2,11 4,12 2,13 74.17,14 4,15 347.502,16 20.76,17 0.147,18 19.23,19 4.81,20 4.81,21 2,22 4.021,23 6,24 8,25 4,26 7.32,28 13.677,29 6.452,30 74.17,31 4.673,32 4.673,33 4.663,34 4.663,36 1.06,37 4.673,38 4.673,39 4.673,41 0.028,42 4.784,43 3.327,44 3.327,45 3.327,46 4,47 4.769,49 11.699,50 11.699,51 11.699,52 62.555,53 7.118,54 7.118,55 2,56 10,57 78.267,58 23.833,59 10,61 7.298,62 18.726,63 24.509,64 1.941,65 0.17,66 3.4,67 5.283,68 8.097}
{0 CHEMBL1795065,1 2,4 2,5 3.045,8 8,9 387.6,10 2,11 4,12 2,13 76.054,14 6,15 362.267,16 20.645,17 0.186,18 19.124,19 4.817,20 4.817,21 2,22 3.896,23 6,24 4,25 4,26 7.271,29 6.793,30 76.054,31 4.632,32 4.632,33 5.232,34 5.232,37 4.632,38 4.632,39 4.632,41 0.024,42 4.755,43 3.349,44 3.349,45 3.349,46 4,47 4.741,49 11.767,50 11.767,51 11.767,52 64.439,53 7.13,54 7.13,55 2,56 10,57 11.615,58 23.7,59 10,61 7.516,62 18.98,63 25.516,64 1.939,65 0.17,66 4.265,67 5.416,68 8.155}
{0 CHEMBL18,1 1,2 1,3 1,4 1,5 2.398,7 1,8 1,9 118.9,11 2,13 37.085,14 5,15 31.664,16 20.458,17 0.197,18 18.933,19 4.837,20 4.837,21 1,22 3.195,24 1,25 2,26 7.748,27 1,28 3.935,29 6.665,30 37.085,31 4.241,32 4.241,33 4.665,34 4.665,35 1,36 1.04,37 4.748,38 4.748,39 4.748,40 2,41 0.03,42 4.784,43 3.355,44 3.355,45 3.355,46 2,47 4.154,48 59.186,49 11.786,50 11.786,51 11.786,52 31.278,53 7.132,54 7.132,55 1,56 11,57 22.593,58 23.535,59 9,61 6.862,62 19.001,63 9.587,64 1.98,65 1,66 2.197,67 4.727,68 7.886}
{0 CHEMBL19,1 1,4 1,5 2.398,8 3,9 144.03,10 1,11 2,12 1,13 38.027,14 5,15 41.086,16 19.948,17 0.334,18 18.425,19 4.817,20 4.817,21 1,22 2.949,23 3,24 1,25 2,26 7.269,29 6.648,30 38.027,31 3.432,32 3.432,33 5.232,34 5.232,37 4.632,38 4.632,39 4.632,41 0.025,42 4.748,43 3.349,44 3.349,45 3.349,46 2,47 3.896,49 11.767,50 11.767,51 11.767,52 32.22,53 7.13,54 7.13,55 1,56 5,57 5.807,58 23.005,59 5,61 6.823,62 18.98,63 8.966,64 1.876,65 0.83,66 1.57,67 4.727,68 6.73}
{0 CHEMBL1907940,1 1,3 1,4 1,5 2.398,6 1,9 160.56,11 3,13 43.131,14 1,15 49.874,16 20.978,17 0.193,18 19.419,19 5.012,20 5.012,22 3.533,26 7.549,29 7.248,30 43.131,31 4.606,32 4.606,33 5.365,34 5.365,36 0.75,37 4.866,38 4.866,39 4.866,41 0.043,42 4.866,43 3.613,44 3.613,45 3.613,46 3,47 4.684,48 93.687,49 14.07,50 14.07,51 14.07,52 31.278,53 7.751,54 7.751,55 1,56 11,57 11.853,58 24.104,59 9,60 3,61 6.917,62 22.577,63 13.977,64 2.094,65 0.83,66 6.87,67 4.727,68 7.347}
{0 CHEMBL20,1 1,2 2,3 1,4 1,5 2.398,7 2,8 1,9 151.66,10 1,11 2,12 1,13 37.085,14 3,15 37.786,16 20.064,17 0.266,18 18.533,19 4.81,20 4.81,21 1,22 2.485,23 3,24 2,25 2,26 7.32,28 6.682,29 6.445,30 37.085,31 3.474,32 3.474,33 4.663,34 4.663,36 0.701,37 4.673,38 4.673,39 4.673,41 0.041,42 4.776,43 3.327,44 3.327,45 3.327,46 2,47 4.022,49 11.699,50 11.699,51 11.699,52 31.278,53 7.118,54 7.118,55 1,56 5,57 39.133,58 23.139,59 5,61 6.605,62 18.726,63 8.463,64 1.87,65 0.83,66 1.106,67 4.595,68 6.79}
{0 CHEMBL203633,6 1,9 123.66,11 1,13 5.807,14 1,16 20.092,17 0.011,18 18.573,19 4.809,20 4.809,22 3.501,26 7.671,29 6.662,30 5.807,31 3.751,32 3.751,33 4.662,34 4.662,37 4.671,38 4.671,39 4.671,41 0.028,42 6.88,43 3.327,44 3.327,45 3.327,46 2,47 4.726,49 11.698,50 11.698,51 11.698,52 45.954,53 7.118,54 7.118,56 6,57 5.807,58 23.156,59 6,60 1,62 18.711,63 10.225,64 2.054,65 1,66 1.779,68 1.78}
{0 CHEMBL203677,6 2,9 123.66,11 1,13 5.807,14 1,16 20.027,17 -0.012,18 18.504,19 4.801,20 4.801,22 3.171,26 7.66,29 6.661,30 5.807,31 3.46,32 3.46,33 4.661,34 4.661,37 4.66,38 4.66,39 4.66,41 0.034,42 4.728,43 3.313,44 3.313,45 3.313,46 1,47 3.768,49 11.657,50 11.657,51 11.657,53 7.111,54 7.111,56 6,57 5.807,58 23.097,59 6,60 2,62 18.535,63 8.954,64 2.067,65 1,66 1.063,68 2.22}
{0 CHEMBL204338,6 2,9 123.66,11 1,13 5.807,14 1,16 20.025,17 -0.022,18 18.502,19 4.801,20 4.801,22 3.23,26 7.66,29 6.661,30 5.807,31 3.432,32 3.432,33 4.661,34 4.661,37 4.66,38 4.66,39 4.66,41 0.037,42 4.728,43 3.313,44 3.313,45 3.313,46 1,47 3.769,49 11.657,50 11.657,51 11.657,53 7.111,54 7.111,55 2,56 6,57 5.807,58 23.096,59 6,60 4,62 18.533,63 9.296,64 2.075,65 1,66 1.212,68 1.84}
{0 CHEMBL205107,6 2,9 178.21,11 2,13 11.615,14 1,16 20.783,17 -0.005,18 19.253,19 4.858,20 4.858,22 3.674,26 7.709,29 6.686,30 11.615,31 4.657,32 4.657,33 4.686,34 4.686,37 4.709,38 4.709,39 4.709,41 0.032,42 4.749,43 3.394,44 3.394,45 3.394,46 2,47 4.715,49 12.508,50 12.508,51 12.508,53 7.308,54 7.308,56 12,57 28.02,58 23.865,59 12,60 4,62 19.853,63 15.165,64 2.102,65 0.67,66 2.443,68 1.88}
{0 CHEMBL205347,6 1,9 123.66,11 1,13 5.807,14 1,16 20.092,17 0.003,18 18.573,19 4.809,20 4.809,22 3.173,26 7.671,29 6.663,30 5.807,31 3.751,32 3.751,33 4.663,34 4.663,37 4.671,38 4.671,39 4.671,41 0.028,42 4.729,43 3.327,44 3.327,45 3.327,46 1,47 3.799,49 11.698,50 11.698,51 11.698,53 7.118,54 7.118,56 6,57 5.807,58 23.156,59 6,60 1,62 18.711,63 8.954,64 2.061,65 1,66 1.135,68 1.58}
{0 CHEMBL205348,6 2,9 120.86,11 1,13 5.807,14 3,16 20.025,17 -0.017,18 18.502,19 4.801,20 4.801,22 3.265,26 7.66,29 6.661,30 5.807,31 3.429,32 3.429,33 4.661,34 4.661,37 4.66,38 4.66,39 4.66,41 0.037,42 4.728,43 3.313,44 3.313,45 3.313,46 1,47 3.764,49 11.657,50 11.657,51 11.657,53 7.111,54 7.111,56 6,57 5.807,58 23.096,59 6,60 2,62 18.533,63 9.649,64 2.076,65 1,66 1.234,68 0.954}
{0 CHEMBL205440,6 2,9 120.86,11 1,13 5.807,14 3,16 20.025,17 -0.017,18 18.502,19 4.801,20 4.801,22 3.207,25 2,26 7.66,29 6.661,30 5.807,31 3.432,32 3.432,33 4.661,34 4.661,37 4.66,38 4.66,39 4.66,41 0.037,42 4.728,43 3.313,44 3.313,45 3.313,46 1,47 3.76,49 11.657,50 11.657,51 11.657,53 7.111,54 7.111,55 1,56 6,57 5.807,58 23.096,59 6,60 2,62 18.533,63 9.296,64 2.069,65 1,66 1.141,68 2.26}
{0 CHEMBL205458,1 1,3 1,4 1,5 2.398,6 1,8 2,9 185.63,11 3,13 43.131,14 5,15 53.065,16 20.978,17 0.228,18 19.421,19 5.01,20 5.01,22 3.685,25 2,26 7.549,29 7.172,30 43.131,31 4.605,32 4.605,33 5.361,34 5.361,36 0.655,37 4.865,38 4.865,39 4.865,41 0.043,42 4.866,43 3.613,44 3.613,45 3.613,46 3,47 4.684,48 103.451,49 13.962,50 13.962,51 13.962,52 31.278,53 7.734,54 7.734,56 11,57 11.853,58 24.102,59 9,60 1,61 6.917,62 22.42,63 15.034,64 2.087,65 0.83,66 6.568,67 4.727,68 1.51}
{0 CHEMBL205460,6 2,9 135.69,11 1,13 5.807,14 1,16 20.025,17 -0.027,18 18.502,19 4.801,20 4.801,22 3.219,24 1,26 7.66,29 6.661,30 5.807,31 3.432,32 3.432,33 4.661,34 4.661,37 4.66,38 4.66,39 4.66,41 0.037,42 4.728,43 3.313,44 3.313,45 3.313,46 1,47 3.753,49 11.657,50 11.657,51 11.657,53 7.111,54 7.111,55 2,56 6,57 23.696,58 23.096,59 6,60 5,62 18.533,63 9.296,64 2.065,65 0.83,66 1.051,68 2.48}
{0 CHEMBL205467,6 1,9 123.66,11 1,13 5.807,14 1,16 20.039,17 -0.012,18 18.515,19 4.805,20 4.805,22 3.181,25 2,26 7.665,29 6.662,30 5.807,31 3.455,32 3.455,33 4.662,34 4.662,37 4.665,38 4.665,39 4.665,41 0.028,42 4.728,43 3.32,44 3.32,45 3.32,46 1,47 3.763,49 11.69,50 11.69,51 11.69,53 7.116,54 7.116,55 1,56 6,57 5.807,58 23.112,59 6,60 2,62 18.667,63 8.966,64 2.067,65 1,66 1.147,68 2.33}
{0 CHEMBL205520,1 1,4 1,5 2.398,8 3,9 170.05,10 1,11 2,12 1,13 38.027,14 5,15 53.311,16 19.95,17 0.26,18 18.427,19 4.817,20 4.817,21 1,22 3.155,23 3,24 1,25 2,26 7.27,29 6.82,30 38.027,31 3.446,32 3.446,33 5.232,34 5.232,37 4.632,38 4.632,39 4.632,41 0.021,42 4.748,43 3.349,44 3.349,45 3.349,46 2,47 3.901,49 11.767,50 11.767,51 11.767,52 32.22,53 7.13,54 7.13,55 2,56 5,57 5.807,58 23.006,59 5,61 6.823,62 18.98,63 9.819,64 1.906,65 0.83,66 1.749,67 4.727,68 1.62}
{0 CHEMBL205542,6 2,7 2,9 161.47,11 1,13 5.807,14 3,16 20.071,17 -0.004,18 18.567,19 4.801,20 4.801,22 3.548,23 2,26 7.66,28 8.124,29 6.661,30 5.807,31 3.714,32 3.714,33 4.661,34 4.661,37 4.66,38 4.66,39 4.66,41 0.025,42 4.728,43 3.314,44 3.314,45 3.314,46 1,47 3.864,49 11.657,50 11.657,51 11.657,53 7.111,54 7.111,55 2,56 12,57 39.378,58 23.126,59 12,60 3,62 18.536,63 12.088,64 2.071,65 0.67,66 1.451,68 1.7}
{0 CHEMBL205651,1 1,4 1,5 2.398,8 4,9 224.6,10 1,11 3,12 1,13 43.834,14 4,15 91.015,16 20.824,17 0.194,18 19.286,19 4.89,20 4.89,21 1,22 3.753,23 4,24 1,25 4,26 7.761,29 7.233,30 43.834,31 4.628,32 4.628,33 5.233,34 5.233,37 4.761,38 4.761,39 4.761,41 0.026,42 4.774,43 3.417,44 3.417,45 3.417,46 3,47 4.713,49 12.534,50 12.534,51 12.534,52 32.22,53 7.313,54 7.313,55 2,56 11,57 11.615,58 23.916,59 11,61 6.823,62 19.941,63 16.03,64 2.062,65 0.67,66 3.4,67 4.727,68 1.15}
{0 CHEMBL206614,1 1,2 2,3 1,4 1,5 2.398,7 2,8 1,9 206.78,10 1,11 2,12 1,13 37.085,14 4,15 71.628,16 20.067,17 0.193,18 18.537,19 4.81,20 4.81,21 1,22 3.466,23 3,24 2,25 2,26 7.32,28 6.825,29 6.454,30 37.085,31 3.478,32 3.478,33 4.663,34 4.663,36 0.651,37 4.673,38 4.673,39 4.673,41 0.026,42 4.776,43 3.327,44 3.327,45 3.327,46 2,47 4.024,49 11.699,50 11.699,51 11.699,52 31.278,53 7.118,54 7.118,55 2,56 5,57 39.133,58 23.14,59 5,61 6.605,62 18.726,63 11.352,64 1.937,65 0.67,66 1.556,67 4.595,68 1.18}
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{0 CHEMBL208107,1 1,2 1,3 1,4 1,5 2.398,7 1,8 1,9 161.99,11 2,13 37.085,14 6,15 45.772,16 20.46,17 0.177,18 18.936,19 4.837,20 4.837,21 1,22 3.402,24 1,25 3,26 7.748,27 1,28 3.902,29 6.665,30 37.085,31 4.242,32 4.242,33 4.665,34 4.665,35 1,36 0.928,37 4.748,38 4.748,39 4.748,40 2,41 0.024,42 4.784,43 3.355,44 3.355,45 3.355,46 2,47 4.155,48 83.022,49 11.786,50 11.786,51 11.786,52 31.278,53 7.132,54 7.132,55 1,56 11,57 22.593,58 23.537,59 9,61 6.862,62 19.001,63 11.281,64 1.981,65 0.83,66 2.328,67 4.727,68 1.08}
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{0 CHEMBL208361,1 1,2 2,3 1,4 1,5 2.398,7 2,8 1,9 177.68,10 1,11 2,12 1,13 37.085,14 3,15 50.011,16 20.065,17 0.219,18 18.534,19 4.81,20 4.81,21 1,22 3.17,23 3,24 2,25 2,26 7.32,28 6.814,29 6.456,30 37.085,31 3.478,32 3.478,33 4.663,34 4.663,36 0.703,37 4.673,38 4.673,39 4.673,41 0.025,42 4.776,43 3.327,44 3.327,45 3.327,46 2,47 4.024,49 11.699,50 11.699,51 11.699,52 31.278,53 7.118,54 7.118,55 2,56 5,57 39.133,58 23.14,59 5,61 6.605,62 18.726,63 9.316,64 1.91,65 0.83,66 1.317,67 4.595,68 1.63}
{0 CHEMBL21,6 2,9 94.56,11 1,13 5.807,16 20.02,17 -0.045,18 18.495,19 4.801,20 4.801,22 2.687,26 7.66,29 6.661,30 5.807,31 3.385,32 3.385,33 4.661,34 4.661,37 4.66,38 4.66,39 4.66,41 0.089,42 4.728,43 3.313,44 3.313,45 3.313,46 1,47 3.714,49 11.657,50 11.657,51 11.657,53 7.111,54 7.111,56 6,57 5.807,58 23.093,59 6,60 2,62 18.527,63 6.71,64 2.062,65 1,66 0.742,68 3.48}
{0 CHEMBL2112274,1 2,2 4,3 2,4 2,5 3.045,7 4,8 4,9 424.94,10 2,11 4,12 2,13 74.17,14 4,15 352.763,16 20.761,17 0.167,18 19.232,19 4.81,20 4.81,21 2,22 4.021,23 6,24 9,25 4,26 7.32,28 13.604,29 6.452,30 74.17,31 4.673,32 4.673,33 4.663,34 4.663,36 0.937,37 4.673,38 4.673,39 4.673,41 0.025,42 4.784,43 3.327,44 3.327,45 3.327,46 4,47 4.769,49 11.699,50 11.699,51 11.699,52 62.555,53 7.118,54 7.118,55 2,56 10,57 78.267,58 23.834,59 10,61 7.298,62 18.726,63 25.461,64 1.99,65 0.17,66 3.72,67 5.283,68 8.398}
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{0 CHEMBL2112276,6 4,9 316.9,11 2,13 11.615,16 20.721,17 -0.024,18 19.2,19 4.801,20 4.801,22 3.759,24 5,26 7.66,29 6.661,30 11.615,31 4.66,32 4.66,33 4.661,34 4.661,37 4.66,38 4.66,39 4.66,41 0.027,42 4.736,43 3.313,44 3.313,45 3.313,46 2,47 4.721,49 11.657,50 11.657,51 11.657,53 7.111,54 7.111,55 4,56 12,57 11.615,58 23.79,59 12,60 8,62 18.533,63 25.419,64 2.075,65 0.17,66 3.564,68 7.678}
{0 CHEMBL2112599,1 1,3 1,4 1,5 2.398,6 1,8 2,9 185.63,11 3,13 43.131,14 3,15 46.861,16 20.978,17 0.235,18 19.421,19 5.01,20 5.01,21 2,22 3.659,24 2,25 2,26 7.549,29 7.172,30 43.131,31 4.605,32 4.605,33 5.361,34 5.361,36 0.634,37 4.865,38 4.865,39 4.865,41 0.046,42 4.865,43 3.613,44 3.613,45 3.613,46 3,47 4.684,48 91.609,49 13.962,50 13.962,51 13.962,52 31.278,53 7.734,54 7.734,56 11,57 11.853,58 24.102,59 9,60 1,61 6.917,62 22.42,63 14.3,64 2.086,65 0.83,66 6.35,67 4.727,68 7.456}
{0 CHEMBL2112600,1 1,3 1,4 1,5 2.398,6 1,8 2,9 212.72,11 3,13 43.131,14 3,15 59.27,16 20.979,17 0.254,18 19.423,19 5.01,20 5.01,22 3.706,25 2,26 7.549,29 7.172,30 43.131,31 4.605,32 4.605,33 5.361,34 5.361,36 0.612,37 4.865,38 4.865,39 4.865,41 0.043,42 4.866,43 3.613,44 3.613,45 3.613,46 3,47 4.684,48 115.293,49 13.962,50 13.962,51 13.962,52 31.278,53 7.734,54 7.734,56 11,57 11.853,58 24.102,59 9,60 1,61 6.917,62 22.42,63 16.349,64 2.087,65 0.83,66 6.53,67 4.727,68 7.569}
{0 CHEMBL2112602,1 1,3 1,4 1,5 2.398,6 1,8 4,9 214.73,11 3,13 43.131,14 3,15 59.55,16 20.979,17 0.221,18 19.422,19 5.01,20 5.01,21 1,22 3.696,24 3,25 2,26 7.549,29 7.172,30 43.131,31 4.605,32 4.605,33 5.361,34 5.361,36 0.593,37 4.865,38 4.865,39 4.865,41 0.043,42 4.866,43 3.613,44 3.613,45 3.613,46 3,47 4.684,48 115.747,49 13.962,50 13.962,51 13.962,52 31.278,53 7.734,54 7.734,56 11,57 11.853,58 24.102,59 9,60 1,61 6.917,62 22.42,63 15.983,64 2.086,65 0.83,66 6.504,67 4.727,68 7.509}
{0 CHEMBL2113370,1 1,4 2,5 3.045,8 3,9 184.49,10 1,11 2,12 1,13 38.027,14 5,15 172.023,16 20.046,17 0.165,18 18.546,19 4.817,20 4.817,21 1,22 3.79,23 3,24 1,25 2,26 7.27,29 7.232,30 38.027,31 3.781,32 3.781,33 5.232,34 5.232,37 4.632,38 4.632,39 4.632,41 0.029,42 4.748,43 3.781,44 3.781,45 3.781,46 2,47 4.03,48 113.316,49 15.781,50 15.781,51 15.781,52 32.22,53 8.17,54 8.17,55 1,56 28,57 5.807,58 23.07,59 22,60 7,61 7.653,62 24.547,63 20.455,64 2.177,65 0.67,66 8.74,67 5.476,68 7.201}
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{0 CHEMBL2113714,6 2,8 1,9 134.94,11 1,13 5.807,14 1,16 20.056,17 0.062,18 18.539,19 4.802,20 4.802,22 3.266,24 1,25 2,26 7.661,29 6.661,30 5.807,31 3.66,32 3.66,33 4.661,34 4.661,37 4.661,38 4.661,39 4.661,41 0.039,42 4.728,43 3.315,44 3.315,45 3.315,46 1,47 3.817,49 11.658,50 11.658,51 11.658,53 7.111,54 7.111,55 3,56 6,57 5.807,58 23.117,59 6,60 7,62 18.557,63 10.871,64 2.07,65 1,66 1.278,68 7.066}
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{0 CHEMBL218490,1 1,3 1,4 1,5 2.398,6 1,9 151.33,11 3,13 43.131,15 36.373,16 20.973,17 0.227,18 19.415,19 5.007,20 5.007,22 3.493,26 7.547,29 7.171,30 43.131,31 4.605,32 4.605,33 5.361,34 5.361,36 0.742,37 4.865,38 4.865,39 4.865,41 0.053,42 4.865,43 3.604,44 3.604,45 3.604,46 3,47 4.684,48 71.029,49 13.927,50 13.927,51 13.927,52 31.278,53 7.729,54 7.729,56 11,57 11.853,58 24.098,59 9,60 3,61 6.917,62 22.364,63 12.727,64 2.082,65 0.83,66 5.975,67 4.727,68 7.367}
{0 CHEMBL220491,1 1,3 1,4 1,5 2.398,6 1,9 163.8,11 3,13 42.893,14 2,15 49.874,16 20.978,17 0.223,18 19.419,19 5.012,20 5.012,22 3.524,23 1,24 1,26 7.549,29 6.589,30 42.893,31 4.606,32 4.606,33 4.787,34 4.787,36 0.708,37 4.866,38 4.866,39 4.866,41 0.043,42 4.863,43 3.613,44 3.613,45 3.613,46 3,47 4.681,48 93.687,49 14.07,50 14.07,51 14.07,52 31.278,53 7.751,54 7.751,55 1,56 11,57 11.615,58 24.104,59 9,60 2,61 6.917,62 22.577,63 13.977,64 2.06,65 0.83,66 6.073,67 4.727,68 1.66}
{0 CHEMBL220492,4 2,5 3.045,8 6,9 123.92,11 1,13 7.511,14 8,15 79.48,16 19.447,17 0.181,18 17.986,19 4.71,20 4.71,22 3.278,23 4,25 2,26 6.425,29 6.325,30 7.511,31 3.689,32 3.689,33 4.448,34 4.448,37 4.425,38 4.425,39 4.425,41 0.039,42 4.701,43 3.694,44 3.694,45 3.694,46 1,47 3.914,48 137.61,49 14.737,50 14.737,51 14.737,53 7.798,54 7.798,55 1,56 16,57 7.511,58 22.384,59 12,61 7.832,62 22.988,63 13.515,64 1.936,65 1,66 2.633,67 5.587,68 7.268}
{0 CHEMBL22374,6 2,9 109.67,11 1,13 5.807,16 20.043,17 -0.056,18 18.534,19 4.801,20 4.801,22 3.456,26 7.66,29 6.661,30 5.807,31 3.476,32 3.476,33 4.661,34 4.661,37 4.66,38 4.66,39 4.66,41 0.033,42 4.728,43 3.313,44 3.313,45 3.313,46 1,47 3.846,49 11.657,50 11.657,51 11.657,53 7.111,54 7.111,56 12,57 5.807,58 23.106,59 12,60 8,62 18.533,63 11.247,64 2.079,65 1,66 1.531,68 6.824}
{0 CHEMBL22540,1 1,2 2,3 1,4 1,5 2.398,7 2,8 2,9 206.21,10 1,11 3,12 1,13 42.893,14 3,15 77.719,16 20.831,17 0.023,18 19.3,19 4.869,20 4.869,21 1,22 3.979,23 4,24 2,25 4,26 7.724,28 6.725,29 6.689,30 42.893,31 4.663,32 4.663,33 4.689,34 4.689,36 0.483,37 4.724,38 4.724,39 4.724,41 0.028,42 6.88,43 3.41,44 3.41,45 3.41,46 4,47 4.795,49 12.535,50 12.535,51 12.535,52 77.232,53 7.313,54 7.313,55 2,56 11,57 61.346,58 23.912,59 11,60 1,61 6.605,62 19.966,63 15.945,64 2.053,65 0.83,66 3.477,67 4.595,68 8.368}
{0 CHEMBL23058,6 2,9 97.64,11 1,13 5.807,14 1,16 20.027,17 0.025,18 18.504,19 4.801,20 4.801,22 3.302,26 7.66,29 6.661,30 5.807,31 3.46,32 3.46,33 4.661,34 4.661,37 4.66,38 4.66,39 4.66,41 0.035,42 4.728,43 3.313,44 3.313,45 3.313,46 1,47 3.77,49 11.657,50 11.657,51 11.657,53 7.111,54 7.111,56 6,57 5.807,58 23.097,59 6,60 3,62 18.535,63 9.307,64 2.067,65 1,66 1.209,68 6.009}
{0 CHEMBL23238,6 2,9 123.09,11 2,13 11.615,16 20.757,17 -0.062,18 19.227,19 4.844,20 4.844,22 3.669,26 7.695,29 6.684,30 11.615,31 4.66,32 4.66,33 4.684,34 4.684,37 4.695,38 4.695,39 4.695,41 0.044,42 4.742,43 3.374,44 3.374,45 3.374,46 2,47 4.72,49 12.405,50 12.405,51 12.405,53 7.293,54 7.293,55 2,56 12,57 11.615,58 23.84,59 12,60 6,62 19.564,63 12.656,64 2.096,65 1,66 2.222,68 7.194}
{0 CHEMBL23285,6 2,9 97.64,11 1,13 5.807,14 1,16 20.05,17 0.147,18 18.534,19 4.801,20 4.801,22 2.967,26 7.66,29 6.661,30 5.807,31 3.583,32 3.583,33 4.661,34 4.661,37 4.66,38 4.66,39 4.66,41 0.046,42 4.728,43 3.317,44 3.317,45 3.317,46 1,47 3.792,49 11.658,50 11.658,51 11.658,53 7.111,54 7.111,56 6,57 5.807,58 23.111,59 6,60 2,62 18.567,63 9.974,64 2.069,65 1,66 1.053,68 5.593}
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{0 CHEMBL24121,4 1,5 2.398,6 2,7 1,9 109.58,11 1,13 5.807,14 2,15 52.522,16 20.056,17 -0.108,18 18.544,19 4.801,20 4.801,22 3.021,24 1,26 7.661,28 3.967,29 6.661,30 5.807,31 3.607,32 3.607,33 4.661,34 4.661,37 4.661,38 4.661,39 4.661,41 0.037,42 4.728,43 3.313,44 3.313,45 3.313,46 1,47 3.874,49 11.657,50 11.657,51 11.657,53 7.111,54 7.111,56 11,57 31.64,58 23.116,59 11,60 2,61 6.26,62 18.533,63 9.199,64 2.062,65 1,66 0.979,67 4.443,68 6.886}
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{0 CHEMBL253362,6 2,7 1,8 1,9 93.79,11 1,13 5.807,14 4,16 20.044,17 -0.084,18 18.537,19 4.801,20 4.801,22 3.318,26 7.66,28 3.928,29 6.661,30 5.807,31 3.509,32 3.509,33 4.661,34 4.661,37 4.66,38 4.66,39 4.66,41 0.028,42 4.728,43 3.313,44 3.313,45 3.313,46 1,47 3.838,49 11.657,50 11.657,51 11.657,53 7.111,54 7.111,56 12,57 31.64,58 23.108,59 12,60 2,62 18.533,63 10.259,64 2.079,65 1,66 1.419,68 7.921}
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{0 CHEMBL254005,6 2,8 1,9 126.72,11 1,12 2,13 5.807,14 4,16 20.149,17 -0.057,18 18.654,19 4.801,20 4.801,22 3.516,26 7.66,29 6.661,30 5.807,31 3.986,32 3.986,33 4.661,34 4.661,37 4.66,38 4.66,39 4.66,41 0.033,42 4.728,43 3.313,44 3.313,45 3.313,46 1,47 3.958,49 11.657,50 11.657,51 11.657,53 7.111,54 7.111,56 12,57 20.525,58 23.188,59 12,60 2,62 18.533,63 11.792,64 2.082,65 1,66 1.602,68 6.854}
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{0 CHEMBL255047,6 1,9 220.73,11 3,13 17.422,16 21.31,17 -0.05,18 19.767,19 4.945,20 4.945,22 4,23 2,26 7.836,29 6.75,30 95.72,31 4.704,32 4.704,33 4.75,34 4.75,37 4.836,38 4.836,39 4.836,41 0.048,42 4.784,43 3.506,44 3.506,45 3.506,46 5,47 4.732,49 12.811,50 12.811,51 12.811,53 7.379,54 7.379,56 12,57 95.72,58 24.413,59 12,60 4,62 20.872,63 19.757,64 2.094,65 0.33,66 3.954,68 7.854}
{0 CHEMBL25600,6 2,9 109.67,11 1,13 5.807,16 20.045,17 -0.074,18 18.537,19 4.801,20 4.801,22 3.325,26 7.66,29 6.661,30 5.807,31 3.507,32 3.507,33 4.661,34 4.661,37 4.66,38 4.66,39 4.66,41 0.033,42 4.728,43 3.313,44 3.313,45 3.313,46 1,47 3.851,49 11.657,50 11.657,51 11.657,53 7.111,54 7.111,56 12,57 5.807,58 23.108,59 12,60 7,62 18.535,63 10.551,64 2.067,65 1,66 1.281,68 6.337}
{0 CHEMBL26,4 1,5 2.398,6 2,8 1,9 110.11,11 1,13 5.807,14 6,15 71.193,16 20.137,17 0.032,18 18.621,19 4.813,20 4.813,22 3.307,23 1,24 1,25 1,26 7.675,29 6.662,30 5.807,31 3.895,32 3.895,33 4.662,34 4.662,37 4.675,38 4.675,39 4.675,41 0.041,42 4.729,43 3.336,44 3.336,45 3.336,46 1,47 3.838,49 11.728,50 11.728,51 11.728,53 7.122,54 7.122,56 11,57 5.807,58 23.195,59 11,60 4,61 6.555,62 18.753,63 11.509,64 2.065,65 1,66 2.05,67 4.595,68 6.208}
{0 CHEMBL262389,6 4,9 340.96,11 2,13 11.615,16 20.721,17 -0.031,18 19.2,19 4.801,20 4.801,22 3.745,24 7,26 7.66,29 6.661,30 11.615,31 4.66,32 4.66,33 4.661,34 4.661,37 4.66,38 4.66,39 4.66,41 0.027,42 4.735,43 3.313,44 3.313,45 3.313,46 2,47 4.721,49 11.657,50 11.657,51 11.657,53 7.111,54 7.111,55 8,56 12,57 47.391,58 23.79,59 12,60 8,62 18.533,63 25.419,64 2.065,65 0.17,66 3.241,68 6.367}
{0 CHEMBL262561,1 1,4 1,5 2.398,8 4,9 224.03,10 1,11 4,12 1,13 49.642,14 3,15 95.273,16 21.221,17 0.16,18 19.68,19 4.999,20 4.999,21 1,22 3.821,23 4,24 1,25 4,26 7.762,29 7.419,30 49.642,31 4.695,32 4.695,33 5.419,34 5.419,37 4.762,38 4.762,39 4.762,41 0.03,42 4.78,43 3.69,44 3.69,45 3.69,46 4,47 4.74,49 14.438,50 14.438,51 14.438,52 32.22,53 8.104,54 8.104,55 2,56 11,57 33.827,58 24.315,59 11,61 6.823,62 22.667,63 17.694,64 2.074,65 0.67,66 3.627,67 4.727,68 7.481}
{0 CHEMBL262650,6 6,9 431.9,11 4,13 23.23,16 21.557,17 -0.039,18 20.013,19 4.916,20 4.916,22 4.681,24 4,25 4,26 7.804,29 6.743,30 101.527,31 4.804,32 4.804,33 4.743,34 4.743,37 4.804,38 4.804,39 4.804,41 0.049,42 4.791,43 3.464,44 3.464,45 3.464,46 6,47 4.764,49 12.54,50 12.54,51 12.54,53 7.322,54 7.322,55 2,56 12,57 101.527,58 24.659,59 12,60 8,62 20.197,63 33.366,64 2.096,65 0.17,66 5.555,68 7.444}
{0 CHEMBL262651,1 2,4 2,5 3.045,8 4,9 416.94,10 2,11 4,12 2,13 76.054,14 4,15 352.763,16 20.309,17 0.017,18 18.807,19 4.754,20 4.754,21 2,22 3.862,23 6,24 9,25 4,26 6.892,29 6.873,30 76.054,31 4.519,32 4.519,33 5.183,34 5.183,37 4.519,38 4.519,39 4.519,41 0.025,42 4.753,43 3.327,44 3.327,45 3.327,46 4,47 4.739,49 11.699,50 11.699,51 11.699,52 64.439,53 7.118,54 7.118,55 2,56 10,57 78.267,58 23.32,59 10,61 7.298,62 18.726,63 25.461,64 1.991,65 0.17,66 4.465,67 5.283,68 8.155}
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{0 CHEMBL263457,1 1,2 2,3 1,4 1,5 2.398,6 3,7 2,8 2,9 180.99,10 1,11 3,12 1,13 42.893,14 2,15 131.752,16 20.993,17 0.135,18 19.485,19 4.865,20 4.865,21 1,22 3.979,23 4,24 2,25 4,26 7.719,28 7.021,29 6.687,30 42.893,31 4.662,32 4.662,33 4.687,34 4.687,36 0.536,37 4.719,38 4.719,39 4.719,41 0.03,42 4.796,43 3.406,44 3.406,45 3.406,46 3,47 4.717,49 12.513,50 12.513,51 12.513,52 31.278,53 7.309,54 7.309,55 2,56 29,57 63.245,58 24.051,59 29,60 2,61 6.605,62 19.9,63 22.115,64 2.16,65 0.67,66 5.14,67 4.595,68 8.347}
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{0 CHEMBL275565,1 2,4 1,5 2.398,8 4,9 251.37,10 1,11 5,12 1,13 121.007,14 3,15 101.413,16 20.825,17 0.158,18 19.287,19 4.89,20 4.89,21 1,22 3.822,23 4,24 2,25 4,26 7.76,29 7.233,30 121.007,31 4.628,32 4.628,33 5.233,34 5.233,37 4.76,38 4.76,39 4.76,41 0.03,42 4.774,43 3.417,44 3.417,45 3.417,46 5,47 4.713,49 12.534,50 12.534,51 12.534,52 109.393,53 7.313,54 7.313,55 2,56 17,57 28.02,58 23.916,59 17,61 6.823,62 19.941,63 18.583,64 2.054,65 0.5,66 4.352,67 4.727,68 8.886}
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{0 CHEMBL278295,6 2,9 109.67,11 1,13 5.807,16 20.109,17 -0.016,18 18.61,19 4.801,20 4.801,22 3.542,26 7.66,29 6.661,30 84.105,31 3.874,32 3.874,33 4.661,34 4.661,37 4.66,38 4.66,39 4.66,41 0.037,42 4.728,43 3.313,44 3.313,45 3.313,46 3,47 4.114,49 11.657,50 11.657,51 11.657,53 7.111,54 7.111,56 12,57 84.105,58 23.155,59 12,60 8,62 18.533,63 13.118,64 2.079,65 1,66 1.787,68 7.699}
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{0 CHEMBL287117,1 1,2 1,3 1,4 1,5 2.398,7 1,8 1,9 139.13,11 2,13 37.085,14 4,15 35.137,16 20.458,17 0.111,18 18.933,19 4.837,20 4.837,21 1,22 3.258,24 2,25 2,26 7.748,27 1,28 3.906,29 6.665,30 37.085,31 4.241,32 4.241,33 4.665,34 4.665,35 1,36 0.985,37 4.748,38 4.748,39 4.748,40 2,41 0.026,42 4.784,43 3.355,44 3.355,45 3.355,46 2,47 4.154,48 65.038,49 11.786,50 11.786,51 11.786,52 31.278,53 7.132,54 7.132,55 1,56 11,57 22.593,58 23.535,59 9,61 6.862,62 19.001,63 9.94,64 1.979,65 1,66 2.223,67 4.727,68 1.18}
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{0 CHEMBL289672,6 2,9 256.56,11 1,13 5.807,16 20.15,17 -0.003,18 18.62,19 4.843,20 4.843,22 3.631,24 5,25 2,26 7.704,29 6.684,30 5.807,31 3.436,32 3.436,33 4.684,34 4.684,37 4.704,38 4.704,39 4.704,41 0.027,42 4.73,43 3.377,44 3.377,45 3.377,46 1,47 3.786,49 12.24,50 12.24,51 12.24,53 7.248,54 7.248,55 1,56 6,57 5.807,58 23.237,59 6,60 3,62 19.753,63 18.233,64 2.069,65 0.17,66 2.39,68 6.26}
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{0 CHEMBL290713,1 1,2 1,3 1,4 2,5 3.045,7 1,8 2,9 196.41,11 2,13 37.085,14 12,15 203.406,16 20.543,17 0.142,18 19.036,19 4.837,20 4.837,21 1,22 3.807,24 1,25 2,26 7.748,27 1,28 4.016,29 6.665,30 37.085,31 4.241,32 4.241,33 4.665,34 4.665,35 1,36 0.96,37 4.748,38 4.748,39 4.748,40 2,41 0.03,42 4.785,43 3.794,44 3.794,45 3.794,46 2,47 4.156,48 354.412,49 15.832,50 15.832,51 15.832,52 31.278,53 8.177,54 8.177,55 1,56 34,57 22.593,58 23.593,59 26,61 7.67,62 24.603,63 23.515,64 2.161,65 0.67,66 8.7,67 5.476,68 8.222}
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{0 CHEMBL298132,6 2,8 1,9 155.17,11 1,13 5.807,14 1,16 20.055,18 18.539,19 4.802,20 4.802,22 3.132,24 1,25 2,26 7.661,29 6.661,30 5.807,31 3.659,32 3.659,33 4.661,34 4.661,37 4.661,38 4.661,39 4.661,41 0.042,42 4.728,43 3.315,44 3.315,45 3.315,46 1,47 3.81,49 11.658,50 11.658,51 11.658,53 7.111,54 7.111,55 3,56 6,57 5.807,58 23.117,59 6,60 5,62 18.557,63 10.73,64 2.068,65 0.83,66 1.098,68 6.456}
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{0 CHEMBL300436,1 1,6 2,8 1,9 160.24,11 2,13 38.027,14 1,16 20.054,17 -0.171,18 18.536,19 4.802,20 4.802,22 3.519,24 1,25 2,26 7.661,29 6.661,30 38.027,31 3.658,32 3.658,33 4.661,34 4.661,37 4.661,38 4.661,39 4.661,41 0.039,42 4.728,43 3.315,44 3.315,45 3.315,46 2,47 3.877,49 11.658,50 11.658,51 11.658,52 32.22,53 7.111,54 7.111,55 3,56 6,57 5.807,58 23.116,59 6,60 5,62 18.556,63 11.151,64 2.068,65 0.83,66 1.658,68 6.824}
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{0 CHEMBL306832,1 1,2 2,3 1,4 1,5 2.398,7 2,8 2,9 203.13,10 1,11 3,12 1,13 99.675,14 2,15 68.029,16 20.865,17 -0.032,18 19.334,19 4.876,20 4.876,21 1,22 3.985,23 4,24 2,25 4,26 7.733,28 6.711,29 6.691,30 82.041,31 4.665,32 4.665,33 4.691,34 4.691,36 0.488,37 4.733,38 4.733,39 4.733,41 0.027,42 10.695,43 3.419,44 3.419,45 3.419,46 5,47 4.796,49 12.563,50 12.563,51 12.563,52 88.06,53 7.318,54 7.318,55 2,56 11,57 100.495,58 23.945,59 11,61 6.605,62 20.025,63 15.791,64 2.036,65 0.83,66 3.613,67 4.595,68 8.569}
{0 CHEMBL307259,1 1,2 2,3 1,4 1,5 2.398,6 1,7 2,8 2,9 180.99,10 1,11 3,12 1,13 42.893,14 2,15 103.738,16 20.934,17 0.246,18 19.415,19 4.865,20 4.865,21 1,22 3.976,23 4,24 2,25 4,26 7.719,28 6.947,29 6.687,30 42.893,31 4.662,32 4.662,33 4.687,34 4.687,36 0.543,37 4.719,38 4.719,39 4.719,41 0.032,42 4.796,43 3.405,44 3.405,45 3.405,46 3,47 4.717,49 12.513,50 12.513,51 12.513,52 31.278,53 7.309,54 7.309,55 2,56 17,57 63.245,58 23.999,59 17,60 2,61 6.605,62 19.895,63 18.908,64 2.15,65 0.83,66 4.547,67 4.595,68 8.328}
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{0 CHEMBL307698,1 1,2 2,3 1,4 1,5 2.398,7 2,8 2,9 203.13,10 1,11 3,12 1,13 42.893,14 2,15 64.658,16 20.827,17 0.02,18 19.294,19 4.869,20 4.869,21 1,22 3.922,23 4,24 2,25 4,26 7.724,28 6.674,29 6.689,30 82.041,31 4.663,32 4.663,33 4.689,34 4.689,36 0.486,37 4.724,38 4.724,39 4.724,41 0.031,42 4.796,43 3.409,44 3.409,45 3.409,46 4,47 4.718,49 12.534,50 12.534,51 12.534,52 31.278,53 7.313,54 7.313,55 2,56 11,57 100.495,58 23.909,59 11,60 1,61 6.605,62 19.957,63 14.162,64 2.051,65 0.83,66 2.909,67 4.595,68 8.62}
{0 CHEMBL307838,1 1,2 2,3 1,4 1,5 2.398,6 5,7 2,8 2,9 180.99,10 1,11 3,12 1,13 42.893,14 2,15 120.545,16 20.994,17 0.108,18 19.485,19 4.865,20 4.865,21 1,22 3.979,23 4,24 2,25 4,26 7.719,28 7,29 6.687,30 42.893,31 4.662,32 4.662,33 4.687,34 4.687,36 0.532,37 4.719,38 4.719,39 4.719,41 0.026,42 4.796,43 3.406,44 3.406,45 3.406,46 3,47 4.717,49 12.513,50 12.513,51 12.513,52 31.278,53 7.309,54 7.309,55 2,56 29,57 63.245,58 24.054,59 29,60 2,61 6.605,62 19.92,63 21.216,64 2.157,65 0.67,66 4.881,67 4.595,68 8.237}
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{0 CHEMBL308677,1 1,2 2,3 1,4 1,5 2.398,7 2,8 2,9 203.13,10 1,11 3,12 1,13 99.675,14 2,15 68.029,16 20.865,17 -0.027,18 19.334,19 4.876,20 4.876,21 1,22 3.979,23 4,24 2,25 4,26 7.733,28 6.602,29 6.691,30 42.893,31 4.665,32 4.665,33 4.691,34 4.691,36 0.427,37 4.733,38 4.733,39 4.733,41 0.027,42 10.695,43 3.419,44 3.419,45 3.419,46 4,47 4.795,49 12.563,50 12.563,51 12.563,52 88.06,53 7.318,54 7.318,55 2,56 11,57 61.346,58 23.945,59 11,61 6.605,62 20.025,63 14.903,64 2.041,65 0.83,66 3.379,67 4.595,68 8.678}
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{0 CHEMBL309069,1 1,2 2,3 1,4 1,5 2.398,6 1,7 2,8 2,9 180.99,10 1,11 3,12 1,13 42.893,14 2,15 123.348,16 20.963,17 0.198,18 19.451,19 4.865,20 4.865,21 1,22 3.978,23 4,24 2,25 4,26 7.719,28 6.994,29 6.687,30 42.893,31 4.662,32 4.662,33 4.687,34 4.687,36 0.542,37 4.719,38 4.719,39 4.719,41 0.035,42 4.796,43 3.406,44 3.406,45 3.406,46 3,47 4.717,49 12.513,50 12.513,51 12.513,52 31.278,53 7.309,54 7.309,55 2,56 23,57 63.245,58 24.023,59 23,60 2,61 6.605,62 19.895,63 20.961,64 2.157,65 0.67,66 4.943,67 4.595,68 8.387}
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{0 CHEMBL315592,4 1,5 2.398,6 1,7 1,9 120.5,11 1,13 5.807,14 5,15 43.649,16 20.3,17 -0.074,18 18.803,19 4.813,20 4.813,22 3.331,23 2,26 7.672,28 3.882,29 6.663,30 44.956,31 4.192,32 4.192,33 4.663,34 4.663,37 4.672,38 4.672,39 4.672,41 0.034,42 4.73,43 3.392,44 3.392,45 3.392,46 2,47 4.031,48 86.292,49 12.273,50 12.273,51 12.273,53 7.138,54 7.138,56 17,57 61.742,58 23.332,59 15,60 1,61 7.209,62 19.963,63 12.183,64 2.05,65 1,66 2.062,67 4.949,68 7.102}
{0 CHEMBL315661,6 2,7 1,9 147.83,11 1,13 5.807,14 2,16 20.113,17 -0.051,18 18.615,19 4.801,20 4.801,22 3.389,24 2,26 7.66,28 3.723,29 6.661,30 5.807,31 3.877,32 3.877,33 4.661,34 4.661,37 4.66,38 4.66,39 4.66,41 0.046,42 4.728,43 3.313,44 3.313,45 3.313,46 1,47 3.892,49 11.657,50 11.657,51 11.657,53 7.111,54 7.111,55 2,56 12,57 22.593,58 23.158,59 12,60 6,62 18.533,63 11.956,64 2.075,65 0.83,66 1.492,68 1.85}
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{0 CHEMBL316169,8 2,9 104.32,11 1,13 5.807,14 4,16 20.326,17 0.099,18 18.791,19 4.95,20 4.95,22 3.557,24 2,26 7.765,29 6.733,30 5.807,31 3.482,32 3.482,33 4.733,34 4.733,37 4.765,38 4.765,39 4.765,41 0.034,42 4.743,43 3.554,44 3.554,45 3.554,46 1,47 3.827,49 13.927,50 13.927,51 13.927,53 7.728,54 7.728,56 12,57 5.807,58 23.436,59 12,60 1,62 22.281,63 11.838,64 2.094,65 1,66 2.614,68 6.866}
{0 CHEMBL316529,6 3,9 101.52,11 1,13 5.807,16 20.182,17 0.104,18 18.686,19 4.801,20 4.801,21 1,22 3.447,26 7.66,29 6.661,30 5.807,31 4.076,32 4.076,33 4.661,34 4.661,37 4.66,38 4.66,39 4.66,41 0.03,42 4.728,43 3.313,44 3.313,45 3.313,46 1,47 3.96,49 11.657,50 11.657,51 11.657,53 7.111,54 7.111,55 2,56 12,57 7.707,58 23.22,59 12,60 4,62 18.533,63 12.584,64 2.103,65 1,66 1.925,68 7.097}
{0 CHEMBL316576,6 3,9 101.52,11 1,13 5.807,16 20.184,17 0.122,18 18.687,19 4.801,20 4.801,21 1,22 3.382,26 7.66,29 6.661,30 5.807,31 4.076,32 4.076,33 4.661,34 4.661,37 4.66,38 4.66,39 4.66,41 0.028,42 4.728,43 3.314,44 3.314,45 3.314,46 1,47 3.961,49 11.657,50 11.657,51 11.657,53 7.111,54 7.111,56 12,57 7.707,58 23.221,59 12,60 2,62 18.536,63 12.242,64 2.105,65 1,66 1.767,68 6.721}
{0 CHEMBL316779,6 2,9 109.67,11 1,13 5.807,16 20.398,17 -0.09,18 18.897,19 4.801,20 4.801,22 3.359,26 7.66,29 6.661,30 5.807,31 4.385,32 4.385,33 4.661,34 4.661,37 4.66,38 4.66,39 4.66,41 0.032,42 4.728,43 3.314,44 3.314,45 3.314,46 1,47 3.975,49 11.657,50 11.657,51 11.657,53 7.111,54 7.111,56 12,57 5.807,58 23.433,59 12,60 4,62 19.657,63 10.551,64 2.065,65 1,66 1.361,68 7.678}
{0 CHEMBL316875,6 3,9 113.55,11 1,13 5.807,16 20.284,17 0.078,18 18.8,19 4.801,20 4.801,21 1,22 3.73,24 1,26 7.66,29 6.661,30 5.807,31 4.214,32 4.214,33 4.661,34 4.661,37 4.66,38 4.66,39 4.66,41 0.042,42 4.728,43 3.313,44 3.313,45 3.313,46 1,47 4.028,49 11.657,50 11.657,51 11.657,53 7.111,54 7.111,55 2,56 18,57 25.595,58 23.309,59 18,60 4,62 18.878,63 16.498,64 2.136,65 1,66 3.078,68 6.444}
{0 CHEMBL316957,6 3,9 170.06,11 2,13 11.615,16 21.02,17 0.116,18 19.497,19 4.946,20 4.946,21 1,22 3.768,26 7.817,29 6.769,30 11.615,31 4.603,32 4.603,33 4.769,34 4.769,37 4.817,38 4.817,39 4.817,41 0.044,42 4.774,43 3.556,44 3.556,45 3.556,46 2,47 4.68,49 13.202,50 13.202,51 13.202,53 7.494,54 7.494,56 18,57 13.514,58 24.098,59 18,60 2,62 21.319,63 20.576,64 2.14,65 0.67,66 4.578,68 7.377}
{0 CHEMBL317015,6 3,9 101.52,11 1,13 5.807,16 20.284,17 0.076,18 18.8,19 4.801,20 4.801,21 1,22 3.739,26 7.66,29 6.661,30 5.807,31 4.214,32 4.214,33 4.661,34 4.661,37 4.66,38 4.66,39 4.66,41 0.042,42 4.728,43 3.313,44 3.313,45 3.313,46 1,47 4.029,49 11.657,50 11.657,51 11.657,53 7.111,54 7.111,55 2,56 18,57 7.707,58 23.309,59 18,60 4,62 18.878,63 16.498,64 2.137,65 1,66 3.236,68 7.125}
{0 CHEMBL317249,6 4,9 170.06,11 2,13 11.615,16 20.983,17 0.074,18 19.461,19 4.917,20 4.917,21 1,22 3.847,26 7.804,29 6.743,30 50.764,31 4.598,32 4.598,33 4.743,34 4.743,37 4.804,38 4.804,39 4.804,41 0.05,42 4.777,43 3.464,44 3.464,45 3.464,46 3,47 4.681,49 12.54,50 12.54,51 12.54,53 7.322,54 7.322,56 18,57 52.663,58 24.061,59 18,60 4,62 20.197,63 20.947,64 2.139,65 0.67,66 4.398,68 7.337}
{0 CHEMBL317256,1 1,4 1,5 2.398,6 1,8 4,9 202.46,10 1,11 3,12 1,13 43.834,14 3,15 140.523,16 20.935,17 0.2,18 19.418,19 4.89,20 4.89,21 2,22 3.827,23 4,24 1,25 4,26 7.761,29 7.233,30 43.834,31 4.628,32 4.628,33 5.233,34 5.233,37 4.761,38 4.761,39 4.761,41 0.028,42 4.774,43 3.417,44 3.417,45 3.417,46 3,47 4.713,49 12.534,50 12.534,51 12.534,52 32.22,53 7.313,54 7.313,55 2,56 23,57 13.514,58 24.003,59 23,61 6.823,62 19.941,63 21.754,64 2.128,65 0.5,66 5.153,67 4.727,68 8}
{0 CHEMBL317328,6 3,7 2,9 139.33,11 1,13 5.807,14 2,16 20.319,17 0.089,18 18.848,19 4.801,20 4.801,21 1,22 3.757,23 2,26 7.66,28 8.573,29 6.661,30 5.807,31 4.214,32 4.214,33 4.661,34 4.661,37 4.66,38 4.66,39 4.66,41 0.036,42 4.728,43 3.314,44 3.314,45 3.314,46 1,47 4.032,49 11.657,50 11.657,51 11.657,53 7.111,54 7.111,56 24,57 41.278,58 23.333,59 24,60 3,62 18.878,63 19.291,64 2.137,65 0.83,66 3.47,68 7.208}
{0 CHEMBL317383,1 1,4 1,5 2.398,8 5,9 201.82,10 1,11 3,12 1,13 43.834,14 6,15 97.539,16 20.841,17 0.219,18 19.304,19 4.893,20 4.893,21 1,22 3.766,23 4,24 2,25 4,26 7.765,29 7.233,30 43.834,31 4.628,32 4.628,33 5.233,34 5.233,37 4.765,38 4.765,39 4.765,41 0.028,42 4.774,43 3.422,44 3.422,45 3.422,46 3,47 4.713,49 12.558,50 12.558,51 12.558,52 32.22,53 7.317,54 7.317,55 2,56 11,57 11.615,58 23.932,59 11,60 1,61 6.823,62 20.034,63 17.044,64 2.064,65 0.67,66 3.657,67 4.727,68 8.155}
{0 CHEMBL317743,6 1,9 123.09,11 2,13 11.615,16 21.014,17 -0.147,18 19.474,19 4.953,20 4.953,22 3.801,26 7.822,29 6.751,30 50.764,31 4.669,32 4.669,33 4.751,34 4.751,37 4.822,38 4.822,39 4.822,41 0.026,42 4.754,43 3.521,44 3.521,45 3.521,46 3,47 4.717,49 13.497,50 13.497,51 13.497,53 7.543,54 7.543,56 12,57 67.169,58 24.117,59 12,60 1,62 21.558,63 13.199,64 2.084,65 1,66 2.633,68 7.31}
{0 CHEMBL317807,1 1,4 1,5 2.398,8 5,9 208.25,10 1,11 3,12 1,13 43.834,14 5,15 101.833,16 20.841,17 0.195,18 19.304,19 4.893,20 4.893,21 1,22 3.755,23 4,24 1,25 4,26 7.765,29 7.233,30 43.834,31 4.628,32 4.628,33 5.233,34 5.233,37 4.765,38 4.765,39 4.765,41 0.028,42 4.774,43 3.422,44 3.422,45 3.422,46 3,47 4.713,49 12.558,50 12.558,51 12.558,52 32.22,53 7.317,54 7.317,55 2,56 11,57 11.615,58 23.932,59 11,61 6.823,62 20.034,63 17.816,64 2.058,65 0.5,66 3.613,67 4.727,68 8.097}
{0 CHEMBL317890,1 1,2 2,3 1,4 1,5 2.398,7 2,8 1,9 163.69,10 1,11 2,12 1,13 37.085,14 2,15 75.034,16 20.425,17 0.027,18 18.918,19 4.811,20 4.811,21 1,22 3.379,23 3,24 2,25 2,26 7.673,28 6.318,29 6.663,30 37.085,31 4.385,32 4.385,33 4.663,34 4.663,36 0.293,37 4.673,38 4.673,39 4.673,41 0.028,42 4.776,43 3.328,44 3.328,45 3.328,46 2,47 4.03,49 11.699,50 11.699,51 11.699,52 31.278,53 7.118,54 7.118,55 3,56 11,57 39.133,58 23.463,59 11,60 1,61 6.605,62 19.699,63 10.914,64 1.951,65 0.83,66 1.596,67 4.595,68 7.347}
{0 CHEMBL318014,6 2,9 101.52,11 1,13 5.807,16 20.336,17 0.091,18 18.852,19 4.809,20 4.809,21 1,22 3.756,26 7.671,29 6.663,30 44.956,31 4.214,32 4.214,33 4.663,34 4.663,37 4.671,38 4.671,39 4.671,41 0.037,42 4.73,43 3.327,44 3.327,45 3.327,46 2,47 4.034,49 11.698,50 11.698,51 11.698,53 7.118,54 7.118,56 18,57 46.855,58 23.358,59 18,60 1,62 18.919,63 17.057,64 2.137,65 1,66 3.458,68 7.252}
{0 CHEMBL318028,1 1,4 1,5 2.398,8 5,9 199.02,10 1,11 3,12 1,13 43.834,14 5,15 89.641,16 20.841,17 0.224,18 19.304,19 4.893,20 4.893,21 1,22 3.756,23 4,24 1,25 4,26 7.765,29 7.233,30 43.834,31 4.628,32 4.628,33 5.233,34 5.233,37 4.765,38 4.765,39 4.765,41 0.03,42 4.774,43 3.422,44 3.422,45 3.422,46 3,47 4.713,49 12.558,50 12.558,51 12.558,52 32.22,53 7.317,54 7.317,55 2,56 11,57 11.615,58 23.932,59 11,61 6.823,62 20.034,63 16.755,64 2.058,65 0.67,66 3.462,67 4.727,68 8}
{0 CHEMBL318047,6 2,9 101.52,11 1,13 5.807,16 20.254,17 0.052,18 18.769,19 4.805,20 4.805,21 1,22 3.71,25 2,26 7.665,29 6.662,30 5.807,31 4.152,32 4.152,33 4.662,34 4.662,37 4.665,38 4.665,39 4.665,41 0.028,42 4.728,43 3.32,44 3.32,45 3.32,46 1,47 4.005,49 11.69,50 11.69,51 11.69,53 7.116,54 7.116,55 1,56 18,57 7.707,58 23.284,59 18,60 2,62 18.668,63 14.307,64 2.12,65 1,66 2.47,68 6.553}
{0 CHEMBL318101,6 3,9 156.07,11 2,13 11.615,16 20.86,17 0.091,18 19.344,19 4.858,20 4.858,21 1,22 3.749,26 7.709,29 6.686,30 11.615,31 4.657,32 4.657,33 4.686,34 4.686,37 4.709,38 4.709,39 4.709,41 0.029,42 4.749,43 3.394,44 3.394,45 3.394,46 2,47 4.715,49 12.508,50 12.508,51 12.508,53 7.308,54 7.308,56 18,57 29.919,58 23.924,59 18,60 4,62 19.853,63 18.453,64 2.111,65 0.83,66 3.147,68 7.108}
{0 CHEMBL318486,6 2,9 170.06,11 2,13 11.615,16 21.037,17 0.041,18 19.511,19 4.944,20 4.944,21 1,22 3.986,26 7.836,29 6.75,30 89.912,31 4.598,32 4.598,33 4.75,34 4.75,37 4.836,38 4.836,39 4.836,41 0.039,42 4.781,43 3.505,44 3.505,45 3.505,46 4,47 4.681,49 12.81,50 12.81,51 12.81,53 7.379,54 7.379,56 18,57 91.811,58 24.123,59 18,60 2,62 20.871,63 20.173,64 2.13,65 0.67,66 4.66,68 7.456}
{0 CHEMBL318820,1 1,4 1,5 2.398,8 4,9 216.01,10 1,11 3,12 1,13 43.834,14 5,15 86.469,16 20.834,17 0.158,18 19.298,19 4.89,20 4.89,21 1,22 3.759,23 4,24 2,25 10,26 7.761,29 7.233,30 43.834,31 4.628,32 4.628,33 5.233,34 5.233,37 4.761,38 4.761,39 4.761,41 0.029,42 4.774,43 3.418,44 3.418,45 3.418,46 3,47 4.713,49 12.534,50 12.534,51 12.534,52 32.22,53 7.313,54 7.313,55 2,56 11,57 11.615,58 23.923,59 11,61 6.823,62 19.946,63 15.561,64 2.058,65 0.67,66 3.273,67 4.727,68 7.854}
{0 CHEMBL318839,6 3,9 170.06,11 2,13 11.615,16 21.001,17 0.07,18 19.477,19 4.946,20 4.946,21 1,22 3.762,26 7.817,29 6.769,30 11.615,31 4.603,32 4.603,33 4.769,34 4.769,37 4.817,38 4.817,39 4.817,41 0.039,42 4.773,43 3.556,44 3.556,45 3.556,46 2,47 4.68,49 13.202,50 13.202,51 13.202,53 7.494,54 7.494,56 18,57 13.514,58 24.081,59 18,60 2,62 21.319,63 18.715,64 2.127,65 0.67,66 3.886,68 7.481}
{0 CHEMBL318953,1 1,4 1,5 2.398,6 1,8 3,9 147.91,10 1,11 2,12 1,13 38.027,14 3,15 89.879,16 20.183,17 0.256,18 18.701,19 4.817,20 4.817,21 3,22 3.734,23 3,24 1,25 2,26 7.632,29 7.232,30 38.027,31 4.153,32 4.153,33 5.232,34 5.232,37 4.632,38 4.632,39 4.632,41 0.024,42 4.748,43 3.349,44 3.349,45 3.349,46 2,47 4.01,49 11.767,50 11.767,51 11.767,52 32.22,53 7.13,54 7.13,55 1,56 17,57 7.707,58 23.196,59 17,61 6.823,62 18.98,63 15.161,64 2.117,65 0.83,66 3.056,67 4.727,68 7.796}
{0 CHEMBL318969,6 2,9 101.52,11 1,13 5.807,16 20.297,17 0.056,18 18.814,19 4.809,20 4.809,21 1,22 3.74,26 7.671,29 6.663,30 44.956,31 4.152,32 4.152,33 4.663,34 4.663,37 4.671,38 4.671,39 4.671,41 0.027,42 4.73,43 3.327,44 3.327,45 3.327,46 2,47 4.013,49 11.698,50 11.698,51 11.698,53 7.118,54 7.118,56 18,57 46.855,58 23.321,59 18,60 1,62 18.712,63 15.196,64 2.12,65 1,66 2.766,68 7.42}
{0 CHEMBL319030,1 1,2 2,3 1,4 1,5 2.398,6 1,7 2,8 1,9 155.54,10 1,11 2,12 1,13 37.085,14 2,15 68.017,16 20.217,17 0.309,18 18.712,19 4.811,20 4.811,21 2,22 3.402,23 3,24 2,25 2,26 7.673,28 7.02,29 6.663,30 37.085,31 4.076,32 4.076,33 4.663,34 4.663,36 0.713,37 4.673,38 4.673,39 4.673,41 0.023,42 4.776,43 3.328,44 3.328,45 3.328,46 2,47 4.032,49 11.699,50 11.699,51 11.699,52 31.278,53 7.118,54 7.118,55 1,56 11,57 41.033,58 23.259,59 11,61 6.605,62 18.727,63 12.605,64 2.099,65 0.83,66 2.012,67 4.595,68 7.301}
{0 CHEMBL319090,6 3,9 101.52,11 1,13 5.807,16 20.285,17 0.089,18 18.801,19 4.801,20 4.801,21 1,22 3.724,26 7.66,29 6.661,30 5.807,31 4.214,32 4.214,33 4.661,34 4.661,37 4.66,38 4.66,39 4.66,41 0.041,42 4.728,43 3.314,44 3.314,45 3.314,46 1,47 4.029,49 11.657,50 11.657,51 11.657,53 7.111,54 7.111,56 18,57 7.707,58 23.31,59 18,60 2,62 18.878,63 16.157,64 2.138,65 1,66 3.078,68 6.745}
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{0 CHEMBL331527,1 1,2 2,3 1,4 1,5 2.398,7 2,8 3,9 261.33,10 1,11 3,12 1,13 42.893,14 2,15 96.728,16 20.802,17 0.104,18 19.269,19 4.864,20 4.864,21 2,22 3.767,23 4,24 4,25 4,26 7.717,28 6.702,29 6.687,30 42.893,31 4.661,32 4.661,33 4.687,34 4.687,36 0.457,37 4.717,38 4.717,39 4.717,41 0.027,42 4.796,43 3.402,44 3.402,45 3.402,46 3,47 4.717,49 12.511,50 12.511,51 12.511,52 31.278,53 7.309,54 7.309,55 2,56 11,57 61.346,58 23.886,59 11,60 2,61 6.605,62 19.873,63 16.476,64 2.066,65 0.5,66 2.928,67 4.595,68 8.222}
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{0 CHEMBL331727,6 2,7 2,8 1,9 190.57,11 1,13 5.807,14 2,16 20.072,17 -0.017,18 18.569,19 4.801,20 4.801,21 1,22 3.596,23 2,24 2,25 2,26 7.66,28 7.99,29 6.661,30 5.807,31 3.714,32 3.714,33 4.661,34 4.661,37 4.66,38 4.66,39 4.66,41 0.024,42 4.728,43 3.314,44 3.314,45 3.314,46 1,47 3.865,49 11.657,50 11.657,51 11.657,53 7.111,54 7.111,56 12,57 39.378,58 23.127,59 12,60 3,62 18.536,63 13.037,64 2.071,65 0.5,66 1.445,68 7.161}
{0 CHEMBL331738,6 1,9 150.75,11 1,13 5.807,16 20.095,17 0.056,18 18.578,19 4.809,20 4.809,22 3.263,24 1,26 7.671,29 6.663,30 5.807,31 3.751,32 3.751,33 4.663,34 4.663,37 4.671,38 4.671,39 4.671,41 0.027,42 4.729,43 3.327,44 3.327,45 3.327,46 1,47 3.803,49 11.698,50 11.698,51 11.698,53 7.118,54 7.118,56 6,57 5.807,58 23.157,59 6,60 1,62 18.712,63 10.269,64 2.06,65 0.67,66 1.11,68 7.409}
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{0 CHEMBL332200,6 2,9 109.67,11 1,13 5.807,16 20.145,17 -0.004,18 18.611,19 4.843,20 4.843,22 3.049,24 1,26 7.704,29 6.684,30 5.807,31 3.434,32 3.434,33 4.684,34 4.684,37 4.704,38 4.704,39 4.704,41 0.04,42 4.729,43 3.377,44 3.377,45 3.377,46 1,47 3.742,49 12.24,50 12.24,51 12.24,53 7.248,54 7.248,55 2,56 6,57 5.807,58 23.235,59 6,60 3,62 19.751,63 8.515,64 2.068,65 1,66 1.067,68 6.688}
{0 CHEMBL332220,1 1,4 1,5 2.398,8 5,9 253.7,10 1,11 3,12 1,13 43.834,14 3,15 100.028,16 20.825,17 0.18,18 19.287,19 4.89,20 4.89,21 2,22 3.755,23 4,24 3,25 4,26 7.761,29 7.233,30 43.834,31 4.628,32 4.628,33 5.233,34 5.233,37 4.761,38 4.761,39 4.761,41 0.025,42 4.774,43 3.417,44 3.417,45 3.417,46 3,47 4.713,49 12.534,50 12.534,51 12.534,52 32.22,53 7.313,54 7.313,55 2,56 11,57 11.615,58 23.916,59 11,61 6.823,62 19.941,63 16.979,64 2.061,65 0.5,66 3.389,67 4.727,68 8.046}
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{0 CHEMBL332225,6 1,9 150.75,11 1,13 5.807,16 20.095,17 0.049,18 18.578,19 4.809,20 4.809,22 3.315,24 1,26 7.671,29 6.663,30 44.956,31 3.751,32 3.751,33 4.663,34 4.663,37 4.671,38 4.671,39 4.671,41 0.027,42 4.73,43 3.327,44 3.327,45 3.327,46 2,47 3.951,49 11.698,50 11.698,51 11.698,53 7.118,54 7.118,56 6,57 44.956,58 23.157,59 6,60 1,62 18.712,63 11.169,64 2.055,65 0.67,66 1.417,68 7.222}
{0 CHEMBL332362,9 74.78,11 1,13 5.807,16 20.172,17 0.006,18 18.644,19 4.85,20 4.85,22 2.656,24 2,26 7.702,29 6.73,30 5.807,31 3.742,32 3.742,33 4.73,34 4.73,37 4.702,38 4.702,39 4.702,41 0.064,42 4.732,43 3.412,44 3.412,45 3.412,46 1,47 3.794,49 12.407,50 12.407,51 12.407,53 7.302,54 7.302,56 6,57 5.807,58 23.251,59 6,60 4,62 19.755,63 6.686,64 2.061,65 1,66 1.026,68 7.796}
{0 CHEMBL332406,8 2,9 103.88,11 1,13 5.807,16 20.597,17 0.122,18 19.047,19 4.963,20 4.963,22 3.223,24 2,26 7.835,29 6.754,30 5.807,31 4.087,32 4.087,33 4.754,34 4.754,37 4.835,38 4.835,39 4.835,41 0.024,42 4.741,43 3.542,44 3.542,45 3.542,46 1,47 3.847,49 13.565,50 13.565,51 13.565,53 7.558,54 7.558,56 6,57 5.807,58 23.717,59 6,60 3,62 21.654,63 9.122,64 2.054,65 1,66 1.944,68 7.886}
{0 CHEMBL332429,8 2,9 103.88,11 1,13 5.807,16 20.359,17 0.189,18 18.819,19 5.251,20 5.251,22 3.238,24 2,26 6.756,29 7.167,30 5.807,31 3.932,32 3.932,33 5.429,34 5.429,37 4.756,38 4.756,39 4.756,41 0.034,42 4.745,43 4.162,44 4.162,45 4.162,46 1,47 3.784,49 18.719,50 18.719,51 18.719,53 9.14,54 9.14,57 5.807,58 23.45,60 1,62 29.653,63 7.144,64 1.995,65 1,66 1.088,68 7.77}
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{0 CHEMBL332527,9 117.87,11 1,13 5.807,16 20.144,17 0.019,18 18.61,19 4.854,20 4.854,21 1,22 3.201,23 2,24 1,26 7.704,29 6.69,30 5.807,31 3.44,32 3.44,33 4.69,34 4.69,37 4.704,38 4.704,39 4.704,41 0.036,42 4.736,43 3.389,44 3.389,45 3.389,46 1,47 3.755,49 12.497,50 12.497,51 12.497,53 7.306,54 7.306,56 6,57 5.807,58 23.234,59 6,60 4,62 19.811,63 8.513,64 2.08,65 1,66 1.387,68 6.81}
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{0 CHEMBL332648,1 1,2 2,3 1,4 1,5 2.398,7 2,8 1,9 233.87,10 1,11 2,12 1,13 37.085,14 3,15 80.417,16 20.07,17 0.232,18 18.542,19 4.81,20 4.81,21 1,22 3.507,23 3,24 3,25 3,26 7.32,28 6.802,29 6.454,30 37.085,31 3.478,32 3.478,33 4.663,34 4.663,36 0.621,37 4.673,38 4.673,39 4.673,41 0.027,42 4.776,43 3.327,44 3.327,45 3.327,46 2,47 4.024,49 11.699,50 11.699,51 11.699,52 31.278,53 7.118,54 7.118,55 3,56 5,57 39.133,58 23.142,59 5,61 6.605,62 18.726,63 12.667,64 1.92,65 0.5,66 1.539,67 4.595,68 8.097}
{0 CHEMBL332744,6 1,8 1,9 152.76,11 1,13 5.807,16 20.093,17 -0.013,18 18.575,19 4.809,20 4.809,21 1,22 3.324,24 2,26 7.671,29 6.663,30 5.807,31 3.751,32 3.751,33 4.663,34 4.663,37 4.671,38 4.671,39 4.671,41 0.027,42 4.729,43 3.327,44 3.327,45 3.327,46 1,47 3.8,49 11.698,50 11.698,51 11.698,53 7.118,54 7.118,56 6,57 5.807,58 23.156,59 6,60 1,62 18.711,63 9.902,64 2.06,65 0.67,66 1.126,68 7.347}
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{0 CHEMBL34147,6 2,9 246.51,11 1,13 5.807,16 20.03,17 -0.046,18 18.51,19 4.801,20 4.801,22 3.656,24 5,26 7.66,29 6.661,30 5.807,31 3.432,32 3.432,33 4.661,34 4.661,37 4.66,38 4.66,39 4.66,41 0.03,42 4.728,43 3.313,44 3.313,45 3.313,46 1,47 3.771,49 11.657,50 11.657,51 11.657,53 7.111,54 7.111,55 4,56 6,57 23.696,58 23.097,59 6,60 4,62 18.533,63 17.708,64 2.065,65 0.17,66 1.956,68 6.208}
{0 CHEMBL341548,6 1,9 97.64,11 1,13 62.589,16 20.486,17 -0.03,18 19,19 5.278,20 5.278,22 3.805,26 7.671,29 7.033,30 5.807,31 4.283,32 4.283,33 5.033,34 5.033,37 4.671,38 4.671,39 4.671,41 0.037,42 10.695,43 4.276,44 4.276,45 4.276,46 2,47 4.727,49 19.649,50 19.649,51 19.649,52 56.782,53 9.33,54 9.33,56 6,57 5.807,58 23.486,59 6,60 1,62 31.202,63 12.01,64 2.05,65 0.83,66 2.436,68 6.167}
{0 CHEMBL341600,6 2,9 120.29,11 2,13 13.557,14 1,16 21.007,17 0.078,18 19.484,19 5.319,20 5.319,22 3.747,26 7.754,29 7.68,30 13.557,31 4.66,32 4.66,33 5.68,34 5.68,37 4.754,38 4.754,39 4.754,41 0.038,42 4.743,43 4.29,44 4.29,45 4.29,46 2,47 4.723,49 19.748,50 19.748,51 19.748,53 9.351,54 9.351,56 6,57 13.557,58 24.07,59 6,60 2,62 31.367,63 13.377,64 2.078,65 0.67,66 2.285,68 4.91}
{0 CHEMBL341760,1 1,2 2,3 1,4 1,5 2.398,7 2,8 1,9 151.66,10 1,11 2,12 1,13 37.085,14 3,15 69.51,16 20.467,17 -0.002,18 18.958,19 4.811,20 4.811,21 1,22 3.298,23 3,24 2,25 2,26 7.673,28 6.214,29 6.663,30 37.085,31 4.428,32 4.428,33 4.663,34 4.663,36 0.212,37 4.673,38 4.673,39 4.673,41 0.029,42 4.776,43 3.332,44 3.332,45 3.332,46 2,47 4.044,49 11.702,50 11.702,51 11.702,52 31.278,53 7.118,54 7.118,55 1,56 11,57 39.133,58 23.507,59 11,61 6.605,62 19.702,63 10.444,64 1.953,65 0.83,66 1.617,67 4.595,68 8}
{0 CHEMBL342026,1 1,2 1,3 1,4 1,5 2.398,7 1,8 3,9 170.65,11 3,13 44.835,14 4,15 146.863,16 21.192,17 0.1,18 19.669,19 5.319,20 5.319,21 1,22 3.937,24 1,25 2,26 7.754,27 1,28 3.593,29 7.68,30 44.835,31 4.748,32 4.748,33 5.68,34 5.68,35 1,36 0.434,37 4.754,38 4.754,39 4.754,40 2,41 0.032,42 4.786,43 4.29,44 4.29,45 4.29,46 3,47 4.737,48 257.689,49 19.748,50 19.748,51 19.748,52 31.278,53 9.351,54 9.351,55 1,56 11,57 30.343,58 24.259,59 9,61 6.862,62 31.367,63 16.058,64 1.985,65 0.5,66 3.448,67 4.727,68 8.301}
{0 CHEMBL342038,6 1,9 97.64,11 1,13 62.589,14 1,16 20.484,17 -0.028,18 18.984,19 4.809,20 4.809,22 3.662,26 7.671,29 6.662,30 5.807,31 4.428,32 4.428,33 4.662,34 4.662,37 4.671,38 4.671,39 4.671,41 0.031,42 10.695,43 3.33,44 3.33,45 3.33,46 2,47 4.727,49 11.7,50 11.7,51 11.7,52 56.782,53 7.118,54 7.118,56 12,57 5.807,58 23.519,59 12,60 1,62 19.7,63 11.724,64 2.053,65 1,66 2.282,68 5.983}
{0 CHEMBL342050,6 2,9 161.99,11 2,13 50.999,16 20.031,17 0.076,18 18.511,19 4.801,20 4.801,22 3.589,24 1,26 7.66,29 6.661,30 50.999,31 3.463,32 3.463,33 4.661,34 4.661,37 4.66,38 4.66,39 4.66,41 0.03,42 4.728,43 3.313,44 3.313,45 3.313,46 2,47 3.956,49 11.657,50 11.657,51 11.657,52 45.192,53 7.111,54 7.111,56 6,57 5.807,58 23.099,59 6,60 8,62 18.535,63 12.089,64 2.064,65 0.83,66 1.517,68 7.921}
{0 CHEMBL342088,6 2,8 1,9 191.09,11 2,13 50.999,16 20.029,17 -0.007,18 18.508,19 4.801,20 4.801,22 3.588,24 2,26 7.66,29 6.661,30 50.999,31 3.46,32 3.46,33 4.661,34 4.661,37 4.66,38 4.66,39 4.66,41 0.027,42 4.728,43 3.313,44 3.313,45 3.313,46 2,47 3.947,49 11.657,50 11.657,51 11.657,52 45.192,53 7.111,54 7.111,56 6,57 5.807,58 23.098,59 6,60 4,62 18.535,63 11.874,64 2.064,65 0.67,66 1.263,68 7.495}
{0 CHEMBL342146,6 1,9 123.09,11 2,13 11.615,16 20.933,17 -0.082,18 19.399,19 5.252,20 5.252,22 3.716,26 7.765,29 7.429,30 11.615,31 4.668,32 4.668,33 5.429,34 5.429,37 4.765,38 4.765,39 4.765,41 0.035,42 4.756,43 4.162,44 4.162,45 4.162,46 2,47 4.718,49 18.719,50 18.719,51 18.719,53 9.14,54 9.14,56 6,57 28.02,58 24.016,59 6,60 1,62 29.653,63 11.252,64 2.076,65 1,66 1.898,68 6.699}
{0 CHEMBL342368,4 1,5 2.398,6 2,7 1,9 129.73,11 1,12 1,13 5.807,14 5,15 50.467,16 20.217,17 -0.068,18 18.72,19 4.801,20 4.801,22 3.357,23 3,25 2,26 7.66,28 3.862,29 6.661,30 5.807,31 4.146,32 4.146,33 4.661,34 4.661,37 4.66,38 4.66,39 4.66,41 0.04,42 4.728,43 3.314,44 3.314,45 3.314,46 1,47 3.968,48 98.386,49 11.689,50 11.689,51 11.689,53 7.111,54 7.111,55 1,56 17,57 22.593,58 23.253,59 15,60 2,61 7.195,62 18.827,63 12.042,64 2.068,65 1,66 1.665,67 4.949,68 2.08}
{0 CHEMBL342390,6 2,9 120.29,11 2,13 13.557,14 1,16 21.007,17 0.027,18 19.485,19 5.319,20 5.319,22 3.731,25 2,26 7.755,29 7.681,30 13.557,31 4.66,32 4.66,33 5.681,34 5.681,37 4.755,38 4.755,39 4.755,41 0.039,42 4.745,43 4.29,44 4.29,45 4.29,46 2,47 4.722,49 19.748,50 19.748,51 19.748,53 9.351,54 9.351,55 1,56 6,57 13.557,58 24.07,59 6,60 2,62 31.367,63 13.024,64 2.073,65 0.67,66 2.214,68 4.963}
{0 CHEMBL342407,6 3,9 191.63,11 3,13 17.422,16 21.339,17 -0.167,18 19.795,19 5.253,20 5.253,22 3.831,26 7.824,29 7.429,30 56.571,31 4.741,32 4.741,33 5.429,34 5.429,37 4.824,38 4.824,39 4.824,41 0.052,42 4.798,43 4.162,44 4.162,45 4.162,46 4,47 4.725,49 18.719,50 18.719,51 18.719,53 9.14,54 9.14,56 6,57 72.976,58 24.441,59 6,60 4,62 29.654,63 16.042,64 2.108,65 0.67,66 3.454,68 7.367}
{0 CHEMBL342485,6 1,9 177.64,11 3,13 17.422,16 21.197,18 19.661,19 4.999,20 4.999,22 3.706,25 4,26 7.718,29 7.419,30 17.422,31 4.692,32 4.692,33 5.419,34 5.419,37 4.718,38 4.718,39 4.718,41 0.033,42 4.765,43 3.69,44 3.69,45 3.69,46 3,47 4.732,49 14.438,50 14.438,51 14.438,53 8.104,54 8.104,55 2,56 12,57 50.232,58 24.285,59 12,60 4,62 22.667,63 16.841,64 2.108,65 0.83,66 2.812,68 7.347}
{0 CHEMBL34253,1 2,2 2,3 2,4 2,5 3.045,7 2,9 358.62,11 4,13 74.17,14 4,15 287.886,16 21.154,17 0.13,18 19.631,19 4.837,20 4.837,21 2,22 4.152,24 6,25 2,26 7.748,27 2,28 7.859,29 6.665,30 74.17,31 4.748,32 4.748,33 4.665,34 4.665,35 2,36 1.626,37 4.748,38 4.748,39 4.748,40 4,41 0.026,42 4.793,43 3.355,44 3.355,45 3.355,46 4,47 4.776,48 504.61,49 11.786,50 11.786,51 11.786,52 62.555,53 7.132,54 7.132,55 4,56 22,57 45.186,58 24.23,59 18,60 2,61 7.554,62 19.001,63 26.318,64 2.012,65 0.17,66 5.427,67 5.416,68 8.046}
{0 CHEMBL342610,1 1,2 2,3 1,4 1,5 2.398,7 2,8 1,9 180.76,10 1,11 2,12 1,13 37.085,14 3,15 165.622,16 20.469,17 0.133,18 18.976,19 5.278,20 5.278,21 1,22 3.798,23 3,24 2,25 2,26 7.32,28 6.013,29 6.963,30 37.085,31 4.283,32 4.283,33 5.033,34 5.033,36 0.075,37 4.673,38 4.673,39 4.673,41 0.034,42 4.776,43 4.276,44 4.276,45 4.276,46 2,47 4.026,49 19.649,50 19.649,51 19.649,52 31.278,53 9.33,54 9.33,55 2,56 5,57 39.133,58 23.473,59 5,61 6.605,62 31.202,63 12.767,64 1.913,65 0.5,66 2.014,67 4.595,68 8.097}
{0 CHEMBL34262,6 3,9 303.02,11 2,13 11.615,16 20.865,17 -0.02,18 19.322,19 4.916,20 4.916,22 3.709,24 4,25 2,26 7.804,29 6.743,30 50.764,31 4.598,32 4.598,33 4.743,34 4.743,37 4.804,38 4.804,39 4.804,41 0.044,42 4.777,43 3.464,44 3.464,45 3.464,46 3,47 4.681,49 12.54,50 12.54,51 12.54,53 7.322,54 7.322,55 1,56 6,57 50.764,58 23.967,59 6,60 4,62 20.197,63 22.157,64 2.096,65 0.17,66 3.273,68 7.187}
{0 CHEMBL342622,6 2,9 123.09,11 2,13 11.615,16 21.047,17 -0.163,18 19.505,19 4.964,20 4.964,22 3.67,26 7.839,29 6.753,30 11.615,31 4.66,32 4.66,33 4.753,34 4.753,37 4.839,38 4.839,39 4.839,41 0.036,42 4.752,43 3.537,44 3.537,45 3.537,46 2,47 4.716,49 13.548,50 13.548,51 13.548,53 7.554,54 7.554,56 12,57 28.02,58 24.153,59 12,60 2,62 21.613,63 12.299,64 2.091,65 1,66 2.137,68 6.387}
{0 CHEMBL342668,6 1,9 123.09,11 2,13 11.615,16 20.909,17 -0.046,18 19.373,19 5.252,20 5.252,22 3.674,25 4,26 7.764,29 7.429,30 11.615,31 4.662,32 4.662,33 5.429,34 5.429,37 4.764,38 4.764,39 4.764,41 0.035,42 4.758,43 4.162,44 4.162,45 4.162,46 2,47 4.714,49 18.719,50 18.719,51 18.719,53 9.14,54 9.14,55 2,56 6,57 28.02,58 23.996,59 6,60 2,62 29.653,63 11.264,64 2.083,65 1,66 1.943,68 6.229}
{0 CHEMBL342679,6 1,9 123.09,11 2,13 11.615,16 21.052,17 -0.163,18 19.509,19 4.964,20 4.964,22 3.67,25 4,26 7.839,29 6.753,30 11.615,31 4.664,32 4.664,33 4.753,34 4.753,37 4.839,38 4.839,39 4.839,41 0.032,42 4.755,43 3.538,44 3.538,45 3.538,46 2,47 4.713,49 13.549,50 13.549,51 13.549,53 7.554,54 7.554,55 2,56 12,57 28.02,58 24.158,59 12,60 2,62 21.617,63 12.311,64 2.092,65 1,66 2.278,68 6.301}
{0 CHEMBL343046,1 1,2 2,3 1,4 1,5 2.398,7 2,8 2,9 231.66,10 1,11 4,12 1,13 48.7,14 2,15 187.379,16 21.378,17 -0.049,18 19.848,19 5.32,20 5.32,21 1,22 3.98,23 4,24 2,25 4,26 7.764,28 6.083,29 7.429,30 48.7,31 4.715,32 4.715,33 5.429,34 5.429,36 0.024,37 4.764,38 4.764,39 4.764,41 0.035,42 4.8,43 4.29,44 4.29,45 4.29,46 4,47 4.745,49 19.749,50 19.749,51 19.749,52 31.278,53 9.351,54 9.351,55 2,56 11,57 83.558,58 24.453,59 11,60 2,61 6.605,62 31.37,63 19.239,64 2.082,65 0.33,66 4.077,67 4.595,68 7.678}
{0 CHEMBL343047,6 3,9 166.18,11 2,13 11.615,16 21.065,17 -0.147,18 19.544,19 5.278,20 5.278,22 3.853,26 7.804,29 7.033,30 50.764,31 4.598,32 4.598,33 5.033,34 5.033,37 4.804,38 4.804,39 4.804,41 0.045,42 4.777,43 4.276,44 4.276,45 4.276,46 3,47 4.681,49 19.649,50 19.649,51 19.649,53 9.33,54 9.33,56 6,57 50.764,58 24.126,59 6,60 4,62 31.202,63 15.159,64 2.095,65 0.67,66 2.825,68 6.886}
{0 CHEMBL343048,1 1,2 2,3 1,4 1,5 2.398,7 2,8 2,9 206.21,10 1,11 3,12 1,13 42.893,14 2,15 183.007,16 21.014,17 -0.012,18 19.504,19 5.278,20 5.278,21 1,22 3.972,23 4,24 2,25 4,26 7.717,28 6.13,29 7.033,30 42.893,31 4.661,32 4.661,33 5.033,34 5.033,36 0.059,37 4.717,38 4.717,39 4.717,41 0.035,42 4.796,43 4.276,44 4.276,45 4.276,46 3,47 4.717,49 19.649,50 19.649,51 19.649,52 31.278,53 9.33,54 9.33,55 2,56 11,57 61.346,58 24.058,59 11,60 2,61 6.605,62 31.202,63 16.941,64 2.065,65 0.5,66 3.397,67 4.595,68 7.886}
{0 CHEMBL343098,6 3,9 191.63,11 3,13 17.422,16 21.434,17 -0.23,18 19.886,19 4.98,20 4.98,22 3.855,26 7.858,29 6.765,30 56.571,31 4.784,32 4.784,33 4.765,34 4.765,37 4.858,38 4.858,39 4.858,41 0.051,42 4.796,43 3.555,44 3.555,45 3.555,46 4,47 4.722,49 13.571,50 13.571,51 13.571,53 7.559,54 7.559,56 12,57 72.976,58 24.548,59 12,60 4,62 21.695,63 17.09,64 2.114,65 0.67,66 3.792,68 7.585}
{0 CHEMBL34314,1 1,2 2,3 1,4 1,5 2.398,7 2,8 2,9 288.5,10 1,11 2,12 1,13 37.085,14 2,15 134.237,16 20.07,17 0.11,18 18.542,19 4.81,20 4.81,21 1,22 3.659,23 3,24 6,25 2,26 7.32,28 6.824,29 6.452,30 37.085,31 3.479,32 3.479,33 4.663,34 4.663,36 0.546,37 4.673,38 4.673,39 4.673,41 0.028,42 4.776,43 3.327,44 3.327,45 3.327,46 2,47 4.025,49 11.699,50 11.699,51 11.699,52 31.278,53 7.118,54 7.118,55 1,56 5,57 39.133,58 23.141,59 5,61 6.605,62 18.726,63 17.729,64 1.938,65 0.17,66 2.195,67 4.595,68 7.678}
{0 CHEMBL34317,1 1,2 1,3 1,4 1,5 2.398,7 1,8 1,9 294.89,11 2,13 37.085,14 4,15 125.502,16 20.464,17 0.122,18 18.942,19 4.837,20 4.837,21 1,22 3.656,24 5,25 3,26 7.748,27 1,28 3.885,29 6.665,30 37.085,31 4.242,32 4.242,33 4.665,34 4.665,35 1,36 0.771,37 4.748,38 4.748,39 4.748,40 2,41 0.024,42 4.784,43 3.355,44 3.355,45 3.355,46 2,47 4.155,48 220.476,49 11.786,50 11.786,51 11.786,52 31.278,53 7.132,54 7.132,55 1,56 11,57 22.593,58 23.538,59 9,61 6.862,62 19.001,63 20.646,64 1.994,65 0.17,66 3.537,67 4.727,68 8.222}
{0 CHEMBL34319,6 1,9 216.02,11 1,13 62.589,16 20.096,17 0.007,18 18.58,19 4.809,20 4.809,22 3.666,24 4,26 7.671,29 6.662,30 5.807,31 3.751,32 3.751,33 4.662,34 4.662,37 4.671,38 4.671,39 4.671,41 0.027,42 10.695,43 3.327,44 3.327,45 3.327,46 2,47 4.727,49 11.698,50 11.698,51 11.698,52 56.782,53 7.118,54 7.118,56 6,57 5.807,58 23.158,59 6,60 1,62 18.712,63 16.887,64 2.052,65 0.17,66 2.716,68 7.108}
{0 CHEMBL343268,6 1,9 123.09,11 2,13 11.615,16 21.072,17 -0.173,18 19.532,19 4.966,20 4.966,22 3.835,26 7.84,29 6.753,30 50.764,31 4.67,32 4.67,33 4.753,34 4.753,37 4.84,38 4.84,39 4.84,41 0.03,42 4.754,43 3.54,44 3.54,45 3.54,46 3,47 4.717,49 13.556,50 13.556,51 13.556,53 7.556,54 7.556,56 12,57 67.169,58 24.175,59 12,60 1,62 21.64,63 13.199,64 2.083,65 1,66 2.643,68 6.268}
{0 CHEMBL343332,6 2,9 123.09,11 2,13 11.615,16 20.892,17 0.06,18 19.358,19 5.25,20 5.25,22 3.746,26 7.753,29 7.428,30 11.615,31 4.66,32 4.66,33 5.428,34 5.428,37 4.753,38 4.753,39 4.753,41 0.039,42 4.748,43 4.161,44 4.161,45 4.161,46 2,47 4.725,49 18.714,50 18.714,51 18.714,53 9.14,54 9.14,56 6,57 11.615,58 23.975,59 6,60 4,62 29.639,63 11.963,64 2.083,65 1,66 2.048,68 6.62}
{0 CHEMBL34354,6 1,9 244.02,11 2,13 11.615,16 20.939,17 -0.044,18 19.393,19 4.944,20 4.944,22 3.699,24 3,25 2,26 7.836,29 6.75,30 89.912,31 4.598,32 4.598,33 4.75,34 4.75,37 4.836,38 4.836,39 4.836,41 0.049,42 4.781,43 3.505,44 3.505,45 3.505,46 4,47 4.681,49 12.81,50 12.81,51 12.81,53 7.379,54 7.379,55 1,56 6,57 89.912,58 24.047,59 6,60 2,62 20.871,63 17.668,64 2.087,65 0.5,66 3.093,68 7}
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{0 CHEMBL344034,1 1,2 2,3 1,4 1,5 2.398,7 2,8 2,9 231.66,10 1,11 4,12 1,13 48.7,14 2,15 132.385,16 21.3,17 -0.028,18 19.762,19 5.252,20 5.252,21 1,22 3.98,23 4,24 2,25 4,26 7.763,28 6.269,29 7.428,30 48.7,31 4.715,32 4.715,33 5.428,34 5.428,36 0.168,37 4.763,38 4.763,39 4.763,41 0.033,42 4.8,43 4.162,44 4.162,45 4.162,46 4,47 4.745,49 18.719,50 18.719,51 18.719,52 31.278,53 9.14,54 9.14,55 2,56 11,57 83.558,58 24.389,59 11,60 2,61 6.605,62 29.653,63 17.825,64 2.081,65 0.5,66 3.677,67 4.595,68 7.77}
{0 CHEMBL344055,6 2,9 177.64,11 3,13 17.422,16 21.193,18 19.658,19 4.999,20 4.999,22 3.708,26 7.716,29 7.419,30 17.422,31 4.691,32 4.691,33 5.419,34 5.419,37 4.716,38 4.716,39 4.716,41 0.037,42 4.763,43 3.69,44 3.69,45 3.69,46 3,47 4.73,49 14.438,50 14.438,51 14.438,53 8.104,54 8.104,56 12,57 50.232,58 24.28,59 12,60 4,62 22.667,63 16.829,64 2.106,65 0.83,66 2.671,68 7.398}
{0 CHEMBL344056,6 2,9 97.64,11 1,13 5.807,16 20.441,17 0.023,18 18.954,19 5.278,20 5.278,22 3.732,26 7.66,29 7.033,30 5.807,31 4.283,32 4.283,33 5.033,34 5.033,37 4.66,38 4.66,39 4.66,41 0.038,42 4.728,43 4.276,44 4.276,45 4.276,46 1,47 3.971,49 19.649,50 19.649,51 19.649,53 9.33,54 9.33,55 2,56 6,57 5.807,58 23.442,59 6,60 4,62 31.202,63 10.71,64 2.074,65 0.83,66 1.658,68 6.125}
{0 CHEMBL344132,6 2,9 182.22,11 2,13 50.999,16 20.065,17 -0.016,18 18.562,19 4.801,20 4.801,22 3.651,24 1,26 7.66,29 6.661,30 50.999,31 3.625,32 3.625,33 4.661,34 4.661,37 4.66,38 4.66,39 4.66,41 0.03,42 4.728,43 3.313,44 3.313,45 3.313,46 2,47 3.966,49 11.657,50 11.657,51 11.657,52 45.192,53 7.111,54 7.111,56 12,57 5.807,58 23.12,59 12,60 9,62 18.535,63 13.821,64 2.065,65 0.67,66 1.879,68 7.886}
{0 CHEMBL344156,1 1,2 1,3 1,4 1,5 2.398,7 1,8 1,9 161.42,11 3,13 44.835,14 4,15 48.705,16 20.992,17 0.132,18 19.457,19 4.999,20 4.999,21 1,22 3.406,24 1,25 4,26 7.752,27 1,28 3.649,29 7.697,30 44.835,31 4.694,32 4.694,33 5.697,34 5.697,35 1,36 0.572,37 4.752,38 4.752,39 4.752,40 2,41 0.032,42 4.788,43 3.69,44 3.69,45 3.69,46 3,47 4.734,48 87.818,49 14.439,50 14.439,51 14.439,52 31.278,53 8.104,54 8.104,55 1,56 11,57 30.343,58 24.077,59 9,61 6.862,62 22.669,63 12.945,64 1.994,65 0.83,66 2.546,67 4.727,68 8}
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{0 CHEMBL344237,6 2,9 120.29,11 2,13 13.557,14 1,16 20.893,17 0.049,18 19.359,19 5.25,20 5.25,22 3.724,25 2,26 7.754,29 7.681,30 13.557,31 4.66,32 4.66,33 5.681,34 5.681,37 4.754,38 4.754,39 4.754,41 0.041,42 4.744,43 4.161,44 4.161,45 4.161,46 2,47 4.722,49 18.714,50 18.714,51 18.714,53 9.14,54 9.14,55 1,56 6,57 13.557,58 23.976,59 6,60 2,62 29.639,63 11.609,64 2.073,65 1,66 1.814,68 4.977}
{0 CHEMBL34424,6 2,9 181.88,11 1,13 5.807,14 2,16 20.273,17 -0.028,18 18.778,19 4.843,20 4.843,22 3.726,24 4,25 2,26 7.704,29 6.684,30 5.807,31 3.846,32 3.846,33 4.684,34 4.684,37 4.704,38 4.704,39 4.704,41 0.027,42 4.73,43 3.377,44 3.377,45 3.377,46 1,47 3.915,49 12.24,50 12.24,51 12.24,53 7.248,54 7.248,55 1,56 18,57 5.807,58 23.324,59 18,60 5,62 19.754,63 17.54,64 2.072,65 0.17,66 2.748,68 6.097}
{0 CHEMBL344316,6 2,9 161.99,11 2,13 50.999,14 1,16 20.093,17 -0.028,18 18.592,19 4.801,20 4.801,22 3.636,26 7.66,29 6.661,30 50.999,31 3.798,32 3.798,33 4.661,34 4.661,37 4.66,38 4.66,39 4.66,41 0.036,42 4.728,43 3.313,44 3.313,45 3.313,46 2,47 3.984,49 11.657,50 11.657,51 11.657,52 45.192,53 7.111,54 7.111,55 1,56 12,57 5.807,58 23.142,59 12,60 8,62 18.535,63 12.492,64 2.065,65 0.83,66 1.544,68 7.444}
{0 CHEMBL344382,1 1,2 2,3 1,4 1,5 2.398,7 2,8 1,9 180.76,10 1,11 2,12 1,13 37.085,14 4,15 95.195,16 20.467,17 0.134,18 18.959,19 4.81,20 4.81,21 1,22 3.561,23 3,24 2,25 2,26 7.673,28 6.554,29 6.663,30 37.085,31 4.427,32 4.427,33 4.663,34 4.663,36 0.441,37 4.673,38 4.673,39 4.673,41 0.029,42 4.776,43 3.327,44 3.327,45 3.327,46 2,47 4.026,49 11.699,50 11.699,51 11.699,52 31.278,53 7.118,54 7.118,55 2,56 11,57 39.133,58 23.507,59 11,61 6.605,62 19.699,63 12.48,64 1.967,65 0.83,66 1.868,67 4.595,68 8}
{0 CHEMBL344709,6 2,9 94.84,11 1,13 5.807,14 3,16 20.439,17 -0.035,18 18.937,19 4.801,20 4.801,22 3.387,26 7.66,29 6.661,30 5.807,31 4.427,32 4.427,33 4.661,34 4.661,37 4.66,38 4.66,39 4.66,41 0.036,42 4.728,43 3.313,44 3.313,45 3.313,46 1,47 3.985,49 11.657,50 11.657,51 11.657,53 7.111,54 7.111,56 12,57 5.807,58 23.476,59 12,60 2,62 19.657,63 10.777,64 2.076,65 1,66 1.545,68 6.398}
{0 CHEMBL34471,6 2,9 146.97,11 1,13 5.807,16 20.026,17 -0.045,18 18.504,19 4.801,20 4.801,22 3.384,24 2,26 7.66,29 6.661,30 5.807,31 3.432,32 3.432,33 4.661,34 4.661,37 4.66,38 4.66,39 4.66,41 0.042,42 4.728,43 3.313,44 3.313,45 3.313,46 1,47 3.768,49 11.657,50 11.657,51 11.657,53 7.111,54 7.111,55 2,56 6,57 5.807,58 23.096,59 6,60 4,62 18.533,63 10.478,64 2.074,65 0.83,66 1.199,68 6.554}
{0 CHEMBL34473,6 2,9 294.82,11 2,13 11.615,16 20.734,17 -0.044,18 19.212,19 4.805,20 4.805,22 3.759,24 4,25 4,26 7.665,29 6.662,30 11.615,31 4.665,32 4.665,33 4.662,34 4.662,37 4.665,38 4.665,39 4.665,41 0.029,42 4.736,43 3.32,44 3.32,45 3.32,46 2,47 4.721,49 11.69,50 11.69,51 11.69,53 7.116,54 7.116,55 2,56 12,57 11.615,58 23.806,59 12,60 4,62 18.668,63 23.808,64 2.067,65 0.17,66 3.083,68 6.398}
{0 CHEMBL344757,6 3,9 223.89,11 2,13 50.999,16 20.032,17 0.021,18 18.512,19 4.801,20 4.801,22 3.599,24 1,26 7.66,29 6.661,30 50.999,31 3.462,32 3.462,33 4.661,34 4.661,37 4.66,38 4.66,39 4.66,41 0.028,42 4.728,43 3.313,44 3.313,45 3.313,46 2,47 3.956,49 11.657,50 11.657,51 11.657,52 45.192,53 7.111,54 7.111,56 6,57 5.807,58 23.099,59 6,60 8,62 18.535,63 13.138,64 2.064,65 0.67,66 1.607,68 7.215}
{0 CHEMBL344861,6 2,9 123.09,11 2,13 11.615,16 21.007,17 0.047,18 19.484,19 5.319,20 5.319,22 3.748,26 7.754,29 7.428,30 11.615,31 4.66,32 4.66,33 5.428,34 5.428,37 4.754,38 4.754,39 4.754,41 0.038,42 4.748,43 4.29,44 4.29,45 4.29,46 2,47 4.725,49 19.748,50 19.748,51 19.748,53 9.351,54 9.351,56 6,57 11.615,58 24.07,59 6,60 4,62 31.367,63 13.377,64 2.084,65 0.67,66 2.448,68 6.328}
{0 CHEMBL34488,1 2,2 2,3 2,4 2,5 3.045,7 2,8 2,9 353.02,11 4,13 74.17,14 8,15 287.886,16 21.154,17 0.137,18 19.631,19 4.837,20 4.837,21 2,22 4.151,24 4,25 6,26 7.748,27 2,28 7.794,29 6.665,30 74.17,31 4.748,32 4.748,33 4.665,34 4.665,35 2,36 1.535,37 4.748,38 4.748,39 4.748,40 4,41 0.026,42 4.793,43 3.355,44 3.355,45 3.355,46 4,47 4.776,48 504.61,49 11.786,50 11.786,51 11.786,52 62.555,53 7.132,54 7.132,55 2,56 22,57 45.186,58 24.23,59 18,61 7.554,62 19.001,63 26.318,64 1.991,65 0.17,66 5.258,67 5.416,68 8.097}
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{0 CHEMBL344889,6 2,9 152.19,11 2,13 11.615,16 21,17 -0.034,18 19.492,19 5.278,20 5.278,22 3.816,26 7.709,29 7.033,30 11.615,31 4.657,32 4.657,33 5.033,34 5.033,37 4.709,38 4.709,39 4.709,41 0.037,42 4.749,43 4.276,44 4.276,45 4.276,46 2,47 4.715,49 19.649,50 19.649,51 19.649,53 9.33,54 9.33,56 12,57 28.02,58 24.041,59 12,60 4,62 31.202,63 16.579,64 2.102,65 0.5,66 2.901,68 7.602}
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{0 CHEMBL34520,6 1,9 146.97,11 1,13 62.589,16 20.093,17 -0.006,18 18.574,19 4.809,20 4.809,22 3.548,24 2,26 7.671,29 6.662,30 5.807,31 3.751,32 3.751,33 4.662,34 4.662,37 4.671,38 4.671,39 4.671,41 0.033,42 10.695,43 3.327,44 3.327,45 3.327,46 2,47 4.727,49 11.698,50 11.698,51 11.698,52 56.782,53 7.118,54 7.118,56 6,57 5.807,58 23.156,59 6,60 1,62 18.711,63 11.778,64 2.051,65 0.83,66 1.996,68 6.943}
{0 CHEMBL34526,6 4,9 276.36,11 2,13 11.615,16 20.72,17 -0.024,18 19.198,19 4.801,20 4.801,22 3.755,24 4,26 7.66,29 6.661,30 11.615,31 4.66,32 4.66,33 4.661,34 4.661,37 4.66,38 4.66,39 4.66,41 0.032,42 4.735,43 3.313,44 3.313,45 3.313,46 2,47 4.721,49 11.657,50 11.657,51 11.657,53 7.111,54 7.111,56 12,57 11.615,58 23.79,59 12,60 8,62 18.533,63 23.054,64 2.079,65 0.17,66 3.235,68 7.268}
{0 CHEMBL34546,1 2,2 4,3 2,4 2,5 3.045,7 4,8 4,9 384.4,10 2,11 4,12 2,13 74.17,14 4,15 287.52,16 20.76,17 0.171,18 19.23,19 4.81,20 4.81,21 2,22 4.021,23 6,24 8,25 4,26 7.32,28 13.541,29 6.453,30 74.17,31 4.673,32 4.673,33 4.663,34 4.663,36 0.951,37 4.673,38 4.673,39 4.673,41 0.027,42 4.784,43 3.327,44 3.327,45 3.327,46 4,47 4.769,49 11.699,50 11.699,51 11.699,52 62.555,53 7.118,54 7.118,55 2,56 10,57 78.267,58 23.833,59 10,61 7.298,62 18.726,63 22.388,64 1.969,65 0.17,66 3.214,67 5.283,68 7.921}
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{0 CHEMBL34582,6 2,9 181.88,11 1,13 5.807,14 2,16 20.168,17 -0.027,18 18.687,19 4.801,20 4.801,22 3.758,24 4,26 7.66,29 6.661,30 5.807,31 3.846,32 3.846,33 4.661,34 4.661,37 4.66,38 4.66,39 4.66,41 0.028,42 4.728,43 3.313,44 3.313,45 3.313,46 1,47 3.916,49 11.657,50 11.657,51 11.657,53 7.111,54 7.111,56 18,57 5.807,58 23.197,59 18,60 6,62 18.533,63 18.321,64 2.079,65 0.17,66 2.879,68 6.668}
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{0 CHEMBL34703,6 2,9 234.48,11 1,13 5.807,16 20.03,17 -0.044,18 18.51,19 4.801,20 4.801,22 3.656,24 4,26 7.66,29 6.661,30 5.807,31 3.432,32 3.432,33 4.661,34 4.661,37 4.66,38 4.66,39 4.66,41 0.03,42 4.728,43 3.313,44 3.313,45 3.313,46 1,47 3.784,49 11.657,50 11.657,51 11.657,53 7.111,54 7.111,55 2,56 6,57 5.807,58 23.097,59 6,60 4,62 18.533,63 17.708,64 2.075,65 0.17,66 2.117,68 7.319}
{0 CHEMBL34710,1 1,2 1,3 1,4 1,5 2.398,7 1,9 257.15,11 2,13 37.085,14 2,15 96.377,16 20.463,17 0.126,18 18.941,19 4.837,20 4.837,21 1,22 3.612,24 5,25 1,26 7.748,27 1,28 3.898,29 6.665,30 37.085,31 4.242,32 4.242,33 4.665,34 4.665,35 1,36 0.824,37 4.748,38 4.748,39 4.748,40 2,41 0.027,42 4.784,43 3.355,44 3.355,45 3.355,46 2,47 4.157,48 169.901,49 11.786,50 11.786,51 11.786,52 31.278,53 7.132,54 7.132,55 2,56 11,57 22.593,58 23.538,59 9,60 1,61 6.862,62 19.001,63 17.573,64 2.006,65 0.17,66 3.115,67 4.727,68 7.959}
{0 CHEMBL34711,6 3,9 227.54,11 2,13 11.615,16 20.864,17 -0.037,18 19.319,19 4.916,20 4.916,22 3.623,24 2,26 7.804,29 6.743,30 50.764,31 4.598,32 4.598,33 4.743,34 4.743,37 4.804,38 4.804,39 4.804,41 0.054,42 4.777,43 3.464,44 3.464,45 3.464,46 3,47 4.681,49 12.54,50 12.54,51 12.54,53 7.322,54 7.322,55 2,56 6,57 50.764,58 23.966,59 6,60 4,62 20.196,63 15.988,64 2.096,65 0.5,66 2.563,68 6.87}
{0 CHEMBL347252,6 1,9 110.78,11 1,13 5.807,14 4,16 20.239,17 -0.016,18 18.746,19 4.809,20 4.809,22 3.702,26 7.671,29 6.662,30 44.956,31 4.072,32 4.072,33 4.662,34 4.662,37 4.671,38 4.671,39 4.671,41 0.033,42 6.88,43 3.326,44 3.326,45 3.326,46 3,47 4.726,49 11.698,50 11.698,51 11.698,52 45.954,53 7.118,54 7.118,56 18,57 72.443,58 23.271,59 16,60 2,62 18.709,63 14.406,64 2.067,65 1,66 2.682,68 7.108}
{0 CHEMBL34768,6 1,9 256.56,11 1,13 5.807,16 20.097,17 0.015,18 18.582,19 4.809,20 4.809,22 3.685,24 5,26 7.671,29 6.662,30 5.807,31 3.751,32 3.751,33 4.662,34 4.662,37 4.671,38 4.671,39 4.671,41 0.024,42 6.88,43 3.327,44 3.327,45 3.327,46 2,47 4.726,49 11.698,50 11.698,51 11.698,52 45.954,53 7.118,54 7.118,56 6,57 5.807,58 23.158,59 6,60 1,62 18.712,63 19.59,64 2.054,65 0.17,66 2.99,68 7.569}
{0 CHEMBL34770,1 1,2 2,3 1,4 1,5 2.398,7 2,8 1,9 200.99,10 1,11 2,12 1,13 37.085,14 2,15 58.52,16 20.066,17 0.167,18 18.536,19 4.81,20 4.81,21 1,22 3.346,23 3,24 4,25 2,26 7.32,28 6.674,29 6.45,30 37.085,31 3.478,32 3.478,33 4.663,34 4.663,36 0.597,37 4.673,38 4.673,39 4.673,41 0.033,42 4.776,43 3.327,44 3.327,45 3.327,46 2,47 4.024,49 11.699,50 11.699,51 11.699,52 31.278,53 7.118,54 7.118,55 1,56 5,57 39.133,58 23.14,59 5,61 6.605,62 18.726,63 10.499,64 1.872,65 0.83,66 1.291,67 4.595,68 6.577}
{0 CHEMBL34782,1 1,2 1,3 1,4 1,5 2.398,7 1,8 1,9 220.21,11 2,13 37.085,14 6,15 112.887,16 20.555,17 0.104,18 19.059,19 4.837,20 4.837,21 1,22 3.841,24 4,25 3,26 7.748,27 1,28 3.959,29 6.665,30 37.085,31 4.242,32 4.242,33 4.665,34 4.665,35 1,36 0.841,37 4.748,38 4.748,39 4.748,40 2,41 0.025,42 4.784,43 3.355,44 3.355,45 3.355,46 2,47 4.156,48 197.477,49 11.786,50 11.786,51 11.786,52 31.278,53 7.132,54 7.132,55 1,56 23,57 22.593,58 23.603,59 21,60 2,61 6.862,62 19.001,63 19.953,64 2.04,65 0.33,66 3.893,67 4.727,68 7.921}
{0 CHEMBL34809,6 4,9 294.82,11 2,13 11.615,16 20.72,17 -0.048,18 19.198,19 4.801,20 4.801,22 3.76,24 4,26 7.66,29 6.661,30 11.615,31 4.66,32 4.66,33 4.661,34 4.661,37 4.66,38 4.66,39 4.66,41 0.03,42 4.736,43 3.313,44 3.313,45 3.313,46 2,47 4.721,49 11.657,50 11.657,51 11.657,53 7.111,54 7.111,55 4,56 12,57 11.615,58 23.79,59 12,60 8,62 18.533,63 24.468,64 2.075,65 0.17,66 3.244,68 7.409}
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{0 CHEMBL34852,1 1,2 1,3 1,4 1,5 2.398,7 1,8 2,9 304.12,11 2,13 37.085,14 4,15 140.883,16 20.463,17 0.101,18 18.941,19 4.837,20 4.837,21 1,22 3.657,24 5,25 2,26 7.748,27 1,28 3.928,29 6.665,30 37.085,31 4.241,32 4.241,33 4.665,34 4.665,35 1,36 0.864,37 4.748,38 4.748,39 4.748,40 2,41 0.021,42 4.784,43 3.355,44 3.355,45 3.355,46 2,47 4.155,48 247.997,49 11.786,50 11.786,51 11.786,52 31.278,53 7.132,54 7.132,55 1,56 11,57 22.593,58 23.537,59 9,61 6.862,62 19.001,63 21.695,64 1.989,65 0.17,66 3.687,67 4.727,68 8.301}
{0 CHEMBL34867,1 1,2 2,3 1,4 1,5 2.398,7 2,8 1,9 299.14,10 1,11 2,12 1,13 37.085,14 3,15 130.012,16 20.071,17 0.148,18 18.544,19 4.81,20 4.81,21 1,22 3.622,23 3,24 6,25 3,26 7.32,28 6.769,29 6.454,30 37.085,31 3.478,32 3.478,33 4.663,34 4.663,36 0.543,37 4.673,38 4.673,39 4.673,41 0.026,42 4.776,43 3.327,44 3.327,45 3.327,46 2,47 4.024,49 11.699,50 11.699,51 11.699,52 31.278,53 7.118,54 7.118,55 3,56 5,57 39.133,58 23.142,59 5,61 6.605,62 18.726,63 17.644,64 1.972,65 0.17,66 2.267,67 4.595,68 7.638}
{0 CHEMBL348978,6 1,9 110.78,11 1,13 62.589,14 4,16 20.239,17 -0.01,18 18.746,19 4.809,20 4.809,22 3.712,26 7.671,29 6.662,30 44.956,31 4.072,32 4.072,33 4.662,34 4.662,37 4.671,38 4.671,39 4.671,41 0.033,42 10.695,43 3.326,44 3.326,45 3.326,46 3,47 4.727,49 11.698,50 11.698,51 11.698,52 56.782,53 7.118,54 7.118,56 18,57 72.443,58 23.271,59 16,60 2,62 18.709,63 14.777,64 2.065,65 1,66 2.899,68 7.155}
{0 CHEMBL34899,6 2,9 431.9,11 4,13 23.23,16 21.632,17 -0.033,18 20.086,19 4.944,20 4.944,22 4.681,24 4,25 4,26 7.836,29 6.75,30 179.824,31 4.836,32 4.836,33 4.75,34 4.75,37 4.836,38 4.836,39 4.836,41 0.041,42 4.795,43 3.505,44 3.505,45 3.505,46 8,47 4.767,49 12.81,50 12.81,51 12.81,53 7.379,54 7.379,55 2,56 12,57 179.824,58 24.74,59 12,60 4,62 20.871,63 34.776,64 2.088,65 0.17,66 6.605,68 7.678}
{0 CHEMBL348997,1 1,3 1,4 1,5 2.398,6 1,8 4,9 172.75,11 3,13 43.131,14 8,15 65.363,16 21.041,17 0.17,18 19.498,19 5.009,20 5.009,22 3.86,26 7.865,29 7.361,30 82.28,31 4.605,32 4.605,33 5.361,34 5.361,36 0.69,37 4.865,38 4.865,39 4.865,41 0.039,42 4.866,43 3.611,44 3.611,45 3.611,46 4,47 4.684,48 124.619,49 13.956,50 13.956,51 13.956,52 31.278,53 7.733,54 7.733,56 23,57 60.478,58 24.148,59 19,60 1,61 6.917,62 22.41,63 19.334,64 2.096,65 0.67,66 7.653,67 4.727,68 7.602}
{0 CHEMBL34969,6 2,9 175.48,11 1,13 5.807,16 20.148,17 -0.02,18 18.615,19 4.843,20 4.843,22 3.354,24 3,25 2,26 7.704,29 6.684,30 5.807,31 3.436,32 3.436,33 4.684,34 4.684,37 4.704,38 4.704,39 4.704,41 0.043,42 4.729,43 3.377,44 3.377,45 3.377,46 1,47 3.765,49 12.24,50 12.24,51 12.24,53 7.248,54 7.248,55 1,56 6,57 5.807,58 23.237,59 6,60 3,62 19.753,63 12.087,64 2.068,65 0.83,66 1.367,68 5.921}
{0 CHEMBL34974,6 2,9 253.76,11 1,13 5.807,14 1,16 20.031,17 -0.005,18 18.512,19 4.801,20 4.801,22 3.642,24 4,25 2,26 7.66,29 6.661,30 5.807,31 3.432,32 3.432,33 4.661,34 4.661,37 4.66,38 4.66,39 4.66,41 0.026,42 4.728,43 3.313,44 3.313,45 3.313,46 1,47 3.789,49 11.657,50 11.657,51 11.657,53 7.111,54 7.111,55 1,56 6,57 5.807,58 23.098,59 6,60 2,62 18.533,63 18.66,64 2.069,65 0.17,66 2.362,68 6.577}
{0 CHEMBL34998,6 1,9 284.56,11 2,13 11.615,16 20.94,17 -0.007,18 19.394,19 4.944,20 4.944,22 3.735,24 4,25 2,26 7.836,29 6.75,30 89.912,31 4.598,32 4.598,33 4.75,34 4.75,37 4.836,38 4.836,39 4.836,41 0.039,42 4.781,43 3.505,44 3.505,45 3.505,46 4,47 4.681,49 12.81,50 12.81,51 12.81,53 7.379,54 7.379,55 1,56 6,57 89.912,58 24.047,59 6,60 2,62 20.871,63 20.741,64 2.088,65 0.17,66 3.611,68 7.018}
{0 CHEMBL35008,6 1,9 234.48,11 1,13 62.589,16 20.096,17 0.005,18 18.58,19 4.809,20 4.809,22 3.682,24 4,26 7.671,29 6.662,30 5.807,31 3.751,32 3.751,33 4.662,34 4.662,37 4.671,38 4.671,39 4.671,41 0.028,42 10.695,43 3.327,44 3.327,45 3.327,46 2,47 4.727,49 11.698,50 11.698,51 11.698,52 56.782,53 7.118,54 7.118,56 6,57 5.807,58 23.158,59 6,60 1,62 18.712,63 19.009,64 2.052,65 0.17,66 2.902,68 7.62}
{0 CHEMBL35021,6 2,9 213.22,11 1,13 5.807,14 1,16 20.03,17 -0.009,18 18.51,19 4.801,20 4.801,22 3.587,24 3,25 2,26 7.66,29 6.661,30 5.807,31 3.432,32 3.432,33 4.661,34 4.661,37 4.66,38 4.66,39 4.66,41 0.029,42 4.728,43 3.313,44 3.313,45 3.313,46 1,47 3.78,49 11.657,50 11.657,51 11.657,53 7.111,54 7.111,55 1,56 6,57 5.807,58 23.097,59 6,60 2,62 18.533,63 15.587,64 2.069,65 0.5,66 1.856,68 6.475}
{0 CHEMBL350327,6 2,9 110.78,11 1,13 5.807,14 4,16 20.184,17 -0.036,18 18.69,19 4.801,20 4.801,22 3.632,26 7.66,29 6.661,30 44.956,31 4.071,32 4.071,33 4.661,34 4.661,37 4.66,38 4.66,39 4.66,41 0.036,42 4.728,43 3.313,44 3.313,45 3.313,46 2,47 4.044,49 11.657,50 11.657,51 11.657,53 7.111,54 7.111,56 18,57 72.443,58 23.22,59 16,60 3,62 18.637,63 13.135,64 2.077,65 1,66 2.017,68 6.77}
{0 CHEMBL35043,6 2,9 253.76,11 1,13 5.807,14 1,16 20.031,17 -0.005,18 18.512,19 4.801,20 4.801,22 3.649,24 4,26 7.66,29 6.661,30 5.807,31 3.429,32 3.429,33 4.661,34 4.661,37 4.66,38 4.66,39 4.66,41 0.027,42 4.728,43 3.313,44 3.313,45 3.313,46 1,47 3.789,49 11.657,50 11.657,51 11.657,53 7.111,54 7.111,56 6,57 5.807,58 23.098,59 6,60 2,62 18.533,63 19.014,64 2.076,65 0.17,66 2.449,68 6.721}
{0 CHEMBL350430,6 2,9 110.78,11 1,13 5.807,14 4,16 20.184,17 -0.017,18 18.689,19 4.801,20 4.801,22 3.665,26 7.66,29 6.661,30 44.956,31 4.071,32 4.071,33 4.661,34 4.661,37 4.66,38 4.66,39 4.66,41 0.033,42 4.728,43 3.313,44 3.313,45 3.313,46 2,47 4.044,49 11.657,50 11.657,51 11.657,53 7.111,54 7.111,56 18,57 54.432,58 23.22,59 16,60 5,62 18.634,63 13.842,64 2.082,65 1,66 2.29,68 6.648}
{0 CHEMBL35050,6 1,9 181.88,11 1,13 5.807,14 2,16 20.226,17 -0.02,18 18.746,19 4.809,20 4.809,22 3.777,24 4,26 7.671,29 6.663,30 5.807,31 3.847,32 3.847,33 4.663,34 4.663,37 4.671,38 4.671,39 4.671,41 0.025,42 4.729,43 3.327,44 3.327,45 3.327,46 1,47 3.918,49 11.698,50 11.698,51 11.698,53 7.118,54 7.118,56 18,57 5.807,58 23.252,59 18,60 3,62 18.713,63 17.626,64 2.064,65 0.17,66 2.704,68 7.102}
{0 CHEMBL35061,1 1,2 2,3 1,4 1,5 2.398,7 2,8 1,9 265,10 1,11 2,12 1,13 37.085,14 5,15 149.008,16 20.205,17 0.117,18 18.715,19 4.81,20 4.81,21 1,22 3.842,23 3,24 6,25 3,26 7.673,28 6.913,29 6.663,30 37.085,31 3.846,32 3.846,33 4.663,34 4.663,36 0.585,37 4.673,38 4.673,39 4.673,41 0.025,42 4.776,43 3.327,44 3.327,45 3.327,46 2,47 4.025,49 11.699,50 11.699,51 11.699,52 31.278,53 7.118,54 7.118,55 3,56 17,57 39.133,58 23.237,59 17,60 2,61 6.605,62 18.726,63 20.024,64 2.041,65 0.17,66 3.128,67 4.595,68 7.456}
{0 CHEMBL351044,6 1,9 110.78,11 1,13 5.807,14 4,16 20.239,17 -0.037,18 18.746,19 4.809,20 4.809,22 3.641,26 7.671,29 6.663,30 44.956,31 4.072,32 4.072,33 4.663,34 4.663,37 4.671,38 4.671,39 4.671,41 0.033,42 4.729,43 3.326,44 3.326,45 3.326,46 2,47 4.044,49 11.698,50 11.698,51 11.698,53 7.118,54 7.118,56 18,57 72.443,58 23.271,59 16,60 2,62 18.709,63 13.135,64 2.072,65 1,66 2.078,68 6.959}
{0 CHEMBL35113,1 1,2 2,3 1,4 1,5 2.398,7 2,8 1,9 213.02,10 1,11 2,12 1,13 37.085,14 2,15 71.791,16 20.066,17 0.158,18 18.536,19 4.81,20 4.81,21 1,22 3.475,23 3,24 4,25 2,26 7.32,28 6.804,29 6.451,30 37.085,31 3.478,32 3.478,33 4.663,34 4.663,36 0.646,37 4.673,38 4.673,39 4.673,41 0.024,42 4.776,43 3.327,44 3.327,45 3.327,46 2,47 4.024,49 11.699,50 11.699,51 11.699,52 31.278,53 7.118,54 7.118,55 1,56 5,57 39.133,58 23.14,59 5,61 6.605,62 18.726,63 11.559,64 1.917,65 0.5,66 1.488,67 4.595,68 6.886}
{0 CHEMBL35118,1 1,2 1,3 1,4 1,5 2.398,6 1,7 1,9 135.69,11 2,13 37.085,14 2,15 25.242,16 20.455,17 0.147,18 18.929,19 4.837,20 4.837,21 1,22 2.927,24 1,26 7.748,27 1,28 3.875,29 6.665,30 37.085,31 4.238,32 4.238,33 4.665,34 4.665,35 1,36 1.014,37 4.748,38 4.748,39 4.748,40 2,41 0.033,42 4.784,43 3.355,44 3.355,45 3.355,46 2,47 4.154,48 48.492,49 11.786,50 11.786,51 11.786,52 31.278,53 7.132,54 7.132,55 2,56 11,57 22.593,58 23.532,59 9,60 1,61 6.862,62 19.001,63 9.037,64 1.988,65 1,66 2.052,67 4.727,68 1.28}
{0 CHEMBL35132,6 1,9 175.48,11 1,13 62.589,16 20.095,17 -0.001,18 18.577,19 4.809,20 4.809,22 3.619,24 3,26 7.671,29 6.662,30 5.807,31 3.751,32 3.751,33 4.662,34 4.662,37 4.671,38 4.671,39 4.671,41 0.038,42 10.695,43 3.327,44 3.327,45 3.327,46 2,47 4.727,49 11.698,50 11.698,51 11.698,52 56.782,53 7.118,54 7.118,56 6,57 5.807,58 23.157,59 6,60 1,62 18.712,63 13.815,64 2.052,65 0.83,66 2.198,68 6.959}
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{0 CHEMBL35227,1 1,2 1,3 1,4 1,5 2.398,7 1,9 275.61,11 2,13 37.085,14 2,15 122.928,16 20.463,17 0.085,18 18.941,19 4.837,20 4.837,21 1,22 3.672,24 5,25 1,26 7.748,27 1,28 3.93,29 6.665,30 37.085,31 4.242,32 4.242,33 4.665,34 4.665,35 1,36 0.854,37 4.748,38 4.748,39 4.748,40 2,41 0.027,42 4.784,43 3.355,44 3.355,45 3.355,46 2,47 4.157,48 216.494,49 11.786,50 11.786,51 11.786,52 31.278,53 7.132,54 7.132,55 2,56 11,57 22.593,58 23.538,59 9,60 1,61 6.862,62 19.001,63 19.694,64 2.003,65 0.17,66 3.302,67 4.727,68 8.155}
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{0 CHEMBL352612,6 7,9 72.42,11 1,13 5.807,16 20.257,17 0.034,18 18.772,19 4.801,20 4.801,22 3.662,26 7.66,29 6.661,30 5.807,31 4.177,32 4.177,33 4.661,34 4.661,37 4.66,38 4.66,39 4.66,41 0.029,42 4.728,43 3.314,44 3.314,45 3.314,46 1,47 4.022,49 11.657,50 11.657,51 11.657,53 7.111,54 7.111,56 18,57 7.707,58 23.284,59 18,60 2,62 18.602,63 14.097,64 2.146,65 1,66 3.159,68 6.788}
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{0 CHEMBL35272,1 2,4 2,5 3.045,8 8,9 387.6,10 2,11 4,12 2,13 76.054,14 6,15 362.267,16 20.645,17 0.186,18 19.124,19 4.817,20 4.817,21 2,22 3.896,23 6,24 4,25 4,26 7.271,29 6.793,30 76.054,31 4.632,32 4.632,33 5.232,34 5.232,37 4.632,38 4.632,39 4.632,41 0.024,42 4.755,43 3.349,44 3.349,45 3.349,46 4,47 4.741,49 11.767,50 11.767,51 11.767,52 64.439,53 7.13,54 7.13,55 2,56 10,57 11.615,58 23.7,59 10,61 7.516,62 18.98,63 25.516,64 1.939,65 0.17,66 4.265,67 5.416,68 8.301}
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{0 CHEMBL35367,1 2,4 2,5 3.045,8 8,9 409.68,10 2,11 4,12 2,13 76.054,14 6,15 367.276,16 20.646,17 0.207,18 19.125,19 4.817,20 4.817,21 2,22 3.895,23 6,24 5,25 4,26 7.271,29 6.922,30 76.054,31 4.632,32 4.632,33 5.232,34 5.232,37 4.632,38 4.632,39 4.632,41 0.021,42 4.755,43 3.349,44 3.349,45 3.349,46 4,47 4.741,49 11.767,50 11.767,51 11.767,52 64.439,53 7.13,54 7.13,55 2,56 10,57 11.615,58 23.701,59 10,61 7.516,62 18.98,63 26.467,64 1.989,65 0.17,66 4.585,67 5.416,68 8.046}
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{0 CHEMBL35410,6 1,9 181.88,11 1,13 5.807,14 2,16 20.181,17 -0.028,18 18.698,19 4.805,20 4.805,22 3.741,24 4,25 2,26 7.665,29 6.662,30 5.807,31 3.846,32 3.846,33 4.662,34 4.662,37 4.665,38 4.665,39 4.665,41 0.026,42 4.728,43 3.32,44 3.32,45 3.32,46 1,47 3.916,49 11.69,50 11.69,51 11.69,53 7.116,54 7.116,55 1,56 18,57 5.807,58 23.212,59 18,60 4,62 18.669,63 17.638,64 2.07,65 0.17,66 2.714,68 6.066}
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{0 CHEMBL35420,6 2,9 175.48,11 1,13 5.807,16 20.03,17 -0.02,18 18.509,19 4.801,20 4.801,22 3.353,24 3,26 7.66,29 6.661,30 5.807,31 3.461,32 3.461,33 4.661,34 4.661,37 4.66,38 4.66,39 4.66,41 0.046,42 4.728,43 3.313,44 3.313,45 3.313,46 1,47 3.783,49 11.657,50 11.657,51 11.657,53 7.111,54 7.111,56 6,57 5.807,58 23.098,59 6,60 2,62 18.535,63 12.173,64 2.066,65 0.83,66 1.248,68 6.347}
{0 CHEMBL35421,1 1,2 2,3 1,4 1,5 2.398,7 2,8 1,9 258.6,10 1,11 2,12 1,13 37.085,14 3,15 98.246,16 20.07,17 0.169,18 18.541,19 4.81,20 4.81,21 1,22 3.546,23 3,24 5,25 3,26 7.32,28 6.731,29 6.454,30 37.085,31 3.478,32 3.478,33 4.663,34 4.663,36 0.555,37 4.673,38 4.673,39 4.673,41 0.037,42 4.776,43 3.327,44 3.327,45 3.327,46 2,47 4.024,49 11.699,50 11.699,51 11.699,52 31.278,53 7.118,54 7.118,55 3,56 5,57 39.133,58 23.141,59 5,61 6.605,62 18.726,63 14.571,64 1.933,65 0.33,66 1.75,67 4.595,68 7.347}
{0 CHEMBL354527,4 2,5 3.045,8 5,9 153.02,10 2,11 1,13 5.569,14 8,15 93.405,16 19.482,17 0.146,18 18.019,19 4.718,20 4.718,22 3.37,23 6,25 5,26 6.435,29 6.063,30 5.569,31 3.718,32 3.718,33 4.212,34 4.212,37 4.435,38 4.435,39 4.435,41 0.034,42 4.708,43 3.718,44 3.718,45 3.718,46 1,47 3.932,48 87.511,49 14.864,50 14.864,51 14.864,53 7.822,54 7.822,55 3,56 16,57 5.569,58 22.423,59 12,61 7.921,62 22.996,63 14.84,64 1.934,65 0.67,66 2.423,67 5.638,68 6.886}
{0 CHEMBL354626,6 5,9 72.42,11 1,13 5.807,16 20.225,17 0.138,18 18.728,19 4.801,20 4.801,22 3.428,26 7.66,29 6.661,30 5.807,31 4.159,32 4.159,33 4.661,34 4.661,37 4.66,38 4.66,39 4.66,41 0.038,42 4.728,43 3.314,44 3.314,45 3.314,46 1,47 3.997,49 11.657,50 11.657,51 11.657,53 7.111,54 7.111,56 12,57 7.707,58 23.26,59 12,60 2,62 18.878,63 12.763,64 2.143,65 1,66 2.756,68 6.842}
{0 CHEMBL354732,6 9,9 72.42,11 1,13 5.807,16 20.388,17 -0.063,18 18.919,19 4.801,20 4.801,22 3.795,26 7.66,29 6.661,30 5.807,31 4.321,32 4.321,33 4.661,34 4.661,37 4.66,38 4.66,39 4.66,41 0.029,42 4.728,43 3.313,44 3.313,45 3.313,46 1,47 4.069,49 11.657,50 11.657,51 11.657,53 7.111,54 7.111,56 30,57 7.707,58 23.406,59 30,60 2,62 19.064,63 17.465,64 2.154,65 0.83,66 3.75,68 5.738}
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{0 CHEMBL35495,1 2,4 2,5 3.045,8 8,9 369.14,10 2,11 4,12 2,13 76.054,14 6,15 301.703,16 20.645,17 0.223,18 19.124,19 4.817,20 4.817,21 2,22 3.894,23 6,24 4,25 4,26 7.271,29 6.87,30 76.054,31 4.632,32 4.632,33 5.232,34 5.232,37 4.632,38 4.632,39 4.632,41 0.023,42 4.755,43 3.349,44 3.349,45 3.349,46 4,47 4.741,49 11.767,50 11.767,51 11.767,52 64.439,53 7.13,54 7.13,55 2,56 10,57 11.615,58 23.7,59 10,61 7.516,62 18.98,63 23.394,64 1.966,65 0.17,66 4.079,67 5.416,68 7.77}
{0 CHEMBL35496,6 1,9 181.88,11 1,13 62.589,14 2,16 20.226,17 0.001,18 18.746,19 4.809,20 4.809,22 3.842,24 4,26 7.671,29 6.662,30 5.807,31 3.847,32 3.847,33 4.662,34 4.662,37 4.671,38 4.671,39 4.671,41 0.025,42 10.695,43 3.327,44 3.327,45 3.327,46 2,47 4.727,49 11.698,50 11.698,51 11.698,52 56.782,53 7.118,54 7.118,56 18,57 5.807,58 23.252,59 18,60 3,62 18.713,63 19.268,64 2.057,65 0.17,66 3.579,68 7.046}
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{0 CHEMBL35593,1 2,2 2,3 2,4 2,5 3.045,7 2,8 4,9 371.48,11 4,13 74.17,14 8,15 349.52,16 21.153,17 0.118,18 19.629,19 4.837,20 4.837,21 2,22 4.15,24 4,25 4,26 7.748,27 2,28 7.884,29 6.665,30 74.17,31 4.748,32 4.748,33 4.665,34 4.665,35 2,36 1.729,37 4.748,38 4.748,39 4.748,40 4,41 0.021,42 4.793,43 3.355,44 3.355,45 3.355,46 4,47 4.776,48 614.669,49 11.786,50 11.786,51 11.786,52 62.555,53 7.132,54 7.132,55 2,56 22,57 45.186,58 24.229,59 18,61 7.554,62 19.001,63 28.416,64 1.983,65 0.17,66 5.558,67 5.416,68 8.222}
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{0 CHEMBL356059,6 2,9 199.29,11 2,13 50.999,14 1,16 20.032,17 0.007,18 18.512,19 4.801,20 4.801,22 3.59,24 1,26 7.66,29 6.661,30 50.999,31 3.462,32 3.462,33 4.661,34 4.661,37 4.66,38 4.66,39 4.66,41 0.033,42 4.728,43 3.313,44 3.313,45 3.313,46 2,47 3.956,49 11.657,50 11.657,51 11.657,52 45.192,53 7.111,54 7.111,55 1,56 6,57 5.807,58 23.099,59 6,60 6,62 18.535,63 12.431,64 2.064,65 0.67,66 1.442,68 7.721}
{0 CHEMBL356322,6 2,9 161.99,11 2,13 50.999,16 20.028,17 -0.018,18 18.506,19 4.801,20 4.801,22 3.423,24 1,26 7.66,29 6.661,30 50.999,31 3.46,32 3.46,33 4.661,34 4.661,37 4.66,38 4.66,39 4.66,41 0.03,42 4.728,43 3.313,44 3.313,45 3.313,46 2,47 3.945,49 11.657,50 11.657,51 11.657,52 45.192,53 7.111,54 7.111,56 6,57 5.807,58 23.097,59 6,60 4,62 18.535,63 10.191,64 2.063,65 0.83,66 1.108,68 7.409}
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{0 CHEMBL35695,6 2,9 216.02,11 1,13 5.807,16 20.031,17 -0.006,18 18.512,19 4.801,20 4.801,22 3.573,24 4,26 7.66,29 6.661,30 5.807,31 3.461,32 3.461,33 4.661,34 4.661,37 4.66,38 4.66,39 4.66,41 0.031,42 4.728,43 3.313,44 3.313,45 3.313,46 1,47 3.791,49 11.657,50 11.657,51 11.657,53 7.111,54 7.111,56 6,57 5.807,58 23.099,59 6,60 2,62 18.535,63 15.245,64 2.067,65 0.33,66 1.766,68 6.481}
{0 CHEMBL35698,6 4,9 318.88,11 2,13 11.615,16 20.72,17 -0.055,18 19.198,19 4.801,20 4.801,22 3.746,24 6,26 7.66,29 6.661,30 11.615,31 4.66,32 4.66,33 4.661,34 4.661,37 4.66,38 4.66,39 4.66,41 0.03,42 4.735,43 3.313,44 3.313,45 3.313,46 2,47 4.721,49 11.657,50 11.657,51 11.657,53 7.111,54 7.111,55 8,56 12,57 47.391,58 23.79,59 12,60 8,62 18.533,63 24.468,64 2.065,65 0.17,66 2.921,68 6.398}
{0 CHEMBL35710,1 1,4 1,5 2.398,8 4,9 262.41,10 1,11 2,12 1,13 38.027,14 3,15 109.386,16 19.955,17 0.193,18 18.435,19 4.817,20 4.817,21 1,22 3.577,23 3,24 4,25 2,26 7.271,29 6.867,30 38.027,31 3.451,32 3.451,33 5.232,34 5.232,37 4.632,38 4.632,39 4.632,41 0.024,42 4.748,43 3.349,44 3.349,45 3.349,46 2,47 3.905,49 11.767,50 11.767,51 11.767,52 32.22,53 7.13,54 7.13,55 1,56 5,57 5.807,58 23.008,59 5,61 6.823,62 18.98,63 16.111,64 1.964,65 0.5,66 2.441,67 4.727,68 7.585}
{0 CHEMBL35712,6 2,9 159,11 1,13 5.807,16 20.026,17 -0.052,18 18.504,19 4.801,20 4.801,22 3.495,24 2,26 7.66,29 6.661,30 5.807,31 3.432,32 3.432,33 4.661,34 4.661,37 4.66,38 4.66,39 4.66,41 0.033,42 4.728,43 3.313,44 3.313,45 3.313,46 1,47 3.769,49 11.657,50 11.657,51 11.657,53 7.111,54 7.111,55 2,56 6,57 5.807,58 23.096,59 6,60 4,62 18.533,63 11.539,64 2.074,65 0.67,66 1.395,68 6.611}
{0 CHEMBL357388,6 2,8 3,9 265.69,11 2,13 50.999,14 2,16 20.04,17 0.006,18 18.523,19 4.801,20 4.801,22 3.647,24 2,26 7.66,29 6.661,30 50.999,31 3.463,32 3.463,33 4.661,34 4.661,37 4.66,38 4.66,39 4.66,41 0.026,42 4.728,43 3.314,44 3.314,45 3.314,46 2,47 3.96,49 11.657,50 11.657,51 11.657,52 45.192,53 7.111,54 7.111,55 1,56 6,57 5.807,58 23.103,59 6,60 5,62 18.536,63 15.692,64 2.064,65 0.5,66 1.715,68 7.495}
{0 CHEMBL35746,6 1,9 216.02,11 1,13 5.807,16 20.096,17 0.01,18 18.58,19 4.809,20 4.809,22 3.59,24 4,26 7.671,29 6.663,30 44.956,31 3.751,32 3.751,33 4.663,34 4.663,37 4.671,38 4.671,39 4.671,41 0.027,42 4.73,43 3.327,44 3.327,45 3.327,46 2,47 3.952,49 11.698,50 11.698,51 11.698,53 7.118,54 7.118,56 6,57 44.956,58 23.158,59 6,60 1,62 18.712,63 16.146,64 2.056,65 0.33,66 2.147,68 7.161}
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{0 CHEMBL357475,6 3,9 188.01,11 2,13 50.999,16 20.031,17 0.018,18 18.511,19 4.801,20 4.801,22 3.584,24 1,26 7.66,29 6.661,30 50.999,31 3.462,32 3.462,33 4.661,34 4.661,37 4.66,38 4.66,39 4.66,41 0.03,42 4.728,43 3.313,44 3.313,45 3.313,46 2,47 3.956,49 11.657,50 11.657,51 11.657,52 45.192,53 7.111,54 7.111,55 1,56 6,57 5.807,58 23.099,59 6,60 8,62 18.535,63 11.956,64 2.064,65 0.67,66 1.587,68 7.26}
{0 CHEMBL357601,1 1,6 2,9 187.29,11 3,13 83.219,16 20.031,17 -0.124,18 18.511,19 4.801,20 4.801,22 3.65,24 1,26 7.66,29 6.661,30 83.219,31 3.462,32 3.462,33 4.661,34 4.661,37 4.66,38 4.66,39 4.66,41 0.031,42 4.728,43 3.313,44 3.313,45 3.313,46 3,47 3.965,49 11.657,50 11.657,51 11.657,52 77.412,53 7.111,54 7.111,56 6,57 5.807,58 23.099,59 6,60 6,62 18.535,63 12.029,64 2.064,65 0.83,66 1.814,68 7.886}
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{0 CHEMBL36017,6 2,9 159,11 1,13 5.807,16 20.026,17 -0.059,18 18.504,19 4.801,20 4.801,22 3.38,24 3,26 7.66,29 6.661,30 5.807,31 3.432,32 3.432,33 4.661,34 4.661,37 4.66,38 4.66,39 4.66,41 0.042,42 4.728,43 3.313,44 3.313,45 3.313,46 1,47 3.753,49 11.657,50 11.657,51 11.657,53 7.111,54 7.111,55 3,56 6,57 23.696,58 23.096,59 6,60 4,62 18.533,63 10.478,64 2.064,65 0.67,66 1.047,68 6.009}
{0 CHEMBL36194,6 4,9 294.82,11 2,13 11.615,16 20.72,17 -0.044,18 19.198,19 4.801,20 4.801,22 3.758,24 4,26 7.66,29 6.661,30 11.615,31 4.66,32 4.66,33 4.661,34 4.661,37 4.66,38 4.66,39 4.66,41 0.032,42 4.736,43 3.313,44 3.313,45 3.313,46 2,47 4.721,49 11.657,50 11.657,51 11.657,53 7.111,54 7.111,56 12,57 11.615,58 23.79,59 12,60 8,62 18.533,63 25.175,64 2.079,65 0.17,66 3.421,68 7.699}
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{0 CHEMBL36525,6 1,9 256.56,11 1,13 5.807,16 20.045,17 -0.003,18 18.525,19 4.805,20 4.805,22 3.629,24 5,25 2,26 7.665,29 6.662,30 5.807,31 3.456,32 3.456,33 4.662,34 4.662,37 4.665,38 4.665,39 4.665,41 0.025,42 4.728,43 3.32,44 3.32,45 3.32,46 1,47 3.795,49 11.69,50 11.69,51 11.69,53 7.116,54 7.116,55 1,56 6,57 5.807,58 23.114,59 6,60 2,62 18.668,63 18.33,64 2.067,65 0.17,66 2.356,68 6.301}
{0 CHEMBL36567,6 2,9 156.2,11 1,13 5.807,14 1,16 20.026,17 -0.048,18 18.504,19 4.801,20 4.801,22 3.486,24 3,25 2,26 7.66,29 6.661,30 5.807,31 3.432,32 3.432,33 4.661,34 4.661,37 4.66,38 4.66,39 4.66,41 0.033,42 4.728,43 3.313,44 3.313,45 3.313,46 1,47 3.761,49 11.657,50 11.657,51 11.657,53 7.111,54 7.111,55 1,56 6,57 5.807,58 23.096,59 6,60 2,62 18.533,63 11.539,64 2.069,65 0.67,66 1.331,68 6.456}
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{0 CHEMBL37730,1 1,2 1,3 1,4 1,5 2.398,7 1,8 1,9 213.81,11 2,13 37.085,14 4,15 68.349,16 20.462,17 0.139,18 18.939,19 4.837,20 4.837,21 1,22 3.489,24 3,25 3,26 7.748,27 1,28 3.844,29 6.665,30 37.085,31 4.242,32 4.242,33 4.665,34 4.665,35 1,36 0.795,37 4.748,38 4.748,39 4.748,40 2,41 0.037,42 4.784,43 3.355,44 3.355,45 3.355,46 2,47 4.155,48 121.559,49 11.786,50 11.786,51 11.786,52 31.278,53 7.132,54 7.132,55 1,56 11,57 22.593,58 23.538,59 9,61 6.862,62 19.001,63 14.5,64 1.98,65 0.67,66 2.515,67 4.727,68 7.886}
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{0 CHEMBL381906,6 3,9 192.2,11 2,13 11.615,14 1,16 20.863,17 -0.017,18 19.319,19 4.916,20 4.916,22 3.595,26 7.804,29 6.743,30 50.764,31 4.598,32 4.598,33 4.743,34 4.743,37 4.804,38 4.804,39 4.804,41 0.059,42 4.777,43 3.464,44 3.464,45 3.464,46 3,47 4.681,49 12.54,50 12.54,51 12.54,53 7.322,54 7.322,56 6,57 50.764,58 23.966,59 6,60 4,62 20.196,63 13.745,64 2.096,65 0.67,66 2.381,68 1.7}
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{0 CHEMBL38751,4 1,5 2.398,6 2,9 138.1,11 1,13 5.807,14 1,15 74.523,16 20.105,17 0.031,18 18.602,19 4.801,20 4.801,22 3.762,26 7.66,29 6.661,30 5.807,31 3.737,32 3.737,33 4.661,34 4.661,37 4.66,38 4.66,39 4.66,41 0.034,42 4.729,43 3.737,44 3.737,45 3.737,46 1,47 4.028,48 126.75,49 15.16,50 15.16,51 15.16,53 7.98,54 7.98,56 29,57 5.807,58 23.146,59 23,60 12,61 7.066,62 23.921,63 20.375,64 2.175,65 0.83,66 8.329,67 4.844,68 7.469}
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{0 CHEMBL38792,4 1,5 2.398,6 2,9 138.1,11 1,13 5.807,14 1,15 64.707,16 20.216,17 0.042,18 18.701,19 4.843,20 4.843,22 3.736,26 7.704,29 6.684,30 5.807,31 3.737,32 3.737,33 4.684,34 4.684,37 4.704,38 4.704,39 4.704,41 0.033,42 4.73,43 3.737,44 3.737,45 3.737,46 1,47 4.027,48 109.91,49 15.16,50 15.16,51 15.16,53 7.98,54 7.98,56 29,57 5.807,58 23.28,59 23,60 11,61 7.066,62 23.921,63 19.595,64 2.175,65 0.83,66 8.204,67 4.844,68 6.301}
{0 CHEMBL38806,4 1,5 2.398,6 1,9 138.1,11 1,13 62.589,14 1,15 69.713,16 20.167,17 0.02,18 18.666,19 4.809,20 4.809,22 3.795,26 7.671,29 6.662,30 5.807,31 3.751,32 3.751,33 4.662,34 4.662,37 4.671,38 4.671,39 4.671,41 0.031,42 10.695,43 3.737,44 3.737,45 3.737,46 2,47 4.727,48 118.403,49 15.16,50 15.16,51 15.16,52 56.782,53 7.98,54 7.98,56 29,57 5.807,58 23.204,59 23,60 9,61 7.066,62 23.921,63 21.322,64 2.175,65 0.83,66 9.035,67 4.844,68 6.959}
{0 CHEMBL38807,4 1,5 2.398,6 2,9 155.53,11 1,13 5.807,14 3,15 75.544,16 20.118,17 0.031,18 18.617,19 4.801,20 4.801,22 3.759,26 7.66,29 6.661,30 5.807,31 3.794,32 3.794,33 4.661,34 4.661,37 4.66,38 4.66,39 4.66,41 0.036,42 4.729,43 3.794,44 3.794,45 3.794,46 1,47 4.034,48 129.409,49 15.832,50 15.832,51 15.832,53 8.177,54 8.177,56 29,57 5.807,58 23.156,59 23,60 14,61 7.081,62 24.603,63 20.834,64 2.173,65 0.67,66 8.276,67 4.844,68 6.523}
{0 CHEMBL38879,4 1,5 2.398,6 1,9 138.1,11 1,13 5.807,14 1,15 69.713,16 20.167,17 0.031,18 18.666,19 4.809,20 4.809,22 3.794,26 7.671,29 6.662,30 5.807,31 3.751,32 3.751,33 4.662,34 4.662,37 4.671,38 4.671,39 4.671,41 0.031,42 6.88,43 3.737,44 3.737,45 3.737,46 2,47 4.726,48 118.403,49 15.16,50 15.16,51 15.16,52 45.954,53 7.98,54 7.98,56 29,57 5.807,58 23.204,59 23,60 9,61 7.066,62 23.921,63 20.952,64 2.175,65 0.83,66 8.803,67 4.844,68 7.276}
{0 CHEMBL38909,4 1,5 2.398,6 1,9 117.87,11 1,13 5.807,14 1,15 68.347,16 20.163,17 0.053,18 18.662,19 4.809,20 4.809,22 3.776,26 7.671,29 6.663,30 5.807,31 3.751,32 3.751,33 4.663,34 4.663,37 4.671,38 4.671,39 4.671,41 0.029,42 4.729,43 3.719,44 3.719,45 3.719,46 1,47 4.023,48 116.071,49 15.062,50 15.062,51 15.062,53 7.963,54 7.963,56 29,57 5.807,58 23.201,59 23,60 4,61 7.066,62 23.819,63 19.131,64 2.179,65 0.83,66 8.083,67 4.844,68 7.444}
{0 CHEMBL38956,1 1,2 1,3 1,4 2,5 3.045,7 1,9 179.23,11 2,13 37.085,14 3,15 170.676,16 20.519,17 0.135,18 19.009,19 4.837,20 4.837,21 1,22 3.793,24 1,25 1,26 7.748,27 1,28 4.068,29 6.665,30 37.085,31 4.242,32 4.242,33 4.665,34 4.665,35 1,36 0.994,37 4.748,38 4.748,39 4.748,40 2,41 0.029,42 4.785,43 3.781,44 3.781,45 3.781,46 2,47 4.158,48 296.677,49 15.781,50 15.781,51 15.781,52 31.278,53 8.17,54 8.17,55 2,56 34,57 22.593,58 23.575,59 26,60 9,61 7.67,62 24.547,63 21.917,64 2.177,65 0.67,66 9.409,67 5.476,68 7.921}
{0 CHEMBL38987,4 1,5 2.398,6 2,9 138.1,11 1,13 5.807,14 1,15 67.303,16 20.116,17 0.042,18 18.615,19 4.801,20 4.801,22 3.755,26 7.66,29 6.661,30 5.807,31 3.781,32 3.781,33 4.661,34 4.661,37 4.66,38 4.66,39 4.66,41 0.032,42 4.728,43 3.781,44 3.781,45 3.781,46 1,47 4.029,48 115,49 15.781,50 15.781,51 15.781,53 8.17,54 8.17,56 29,57 5.807,58 23.155,59 23,60 10,61 7.081,62 24.547,63 19.589,64 2.177,65 0.83,66 8.06,67 4.844,68 6.45}
{0 CHEMBL39110,4 1,5 2.398,6 2,9 117.87,11 1,13 5.807,14 1,15 63.341,16 20.213,17 0.046,18 18.697,19 4.843,20 4.843,22 3.736,26 7.704,29 6.684,30 5.807,31 3.719,32 3.719,33 4.684,34 4.684,37 4.704,38 4.704,39 4.704,41 0.032,42 4.73,43 3.719,44 3.719,45 3.719,46 1,47 4.022,48 107.577,49 15.062,50 15.062,51 15.062,53 7.963,54 7.963,56 29,57 5.807,58 23.277,59 23,60 6,61 7.066,62 23.819,63 19.046,64 2.179,65 0.83,66 8.128,67 4.844,68 6.125}
{0 CHEMBL39120,1 1,2 2,3 1,4 2,5 3.045,7 2,8 1,9 212.35,10 1,11 2,12 1,13 37.085,14 3,15 170.375,16 20.155,17 0.144,18 18.646,19 4.81,20 4.81,21 1,22 3.793,23 3,24 2,25 2,26 7.32,28 7.207,29 6.663,30 37.085,31 3.794,32 3.794,33 4.663,34 4.663,36 0.723,37 4.673,38 4.673,39 4.673,41 0.032,42 4.777,43 3.794,44 3.794,45 3.794,46 2,47 4.042,48 111.738,49 15.832,50 15.832,51 15.832,52 31.278,53 8.177,54 8.177,55 1,56 28,57 39.133,58 23.198,59 22,60 13,61 7.564,62 24.603,63 20.501,64 2.173,65 0.5,66 8.373,67 5.416,68 6.688}
{0 CHEMBL39160,4 1,5 2.398,6 1,9 206.64,11 2,13 11.615,14 1,15 80.747,16 20.971,17 0.047,18 19.434,19 4.944,20 4.944,22 3.996,26 7.836,29 6.75,30 89.912,31 4.598,32 4.598,33 4.75,34 4.75,37 4.836,38 4.836,39 4.836,41 0.039,42 4.781,43 3.737,44 3.737,45 3.737,46 4,47 4.681,48 138.245,49 15.16,50 15.16,51 15.16,53 7.98,54 7.98,56 29,57 89.912,58 24.066,59 23,60 10,61 7.066,62 23.921,63 25.176,64 2.175,65 0.5,66 9.929,67 4.844,68 7.022}
{0 CHEMBL39224,1 1,2 1,3 1,4 2,5 3.045,7 1,9 179.23,11 2,13 37.085,14 3,15 171.374,16 20.513,17 0.135,18 19.002,19 4.837,20 4.837,21 1,22 3.793,24 1,25 1,26 7.748,27 1,28 4.071,29 6.665,30 37.085,31 4.242,32 4.242,33 4.665,34 4.665,35 1,36 1,37 4.748,38 4.748,39 4.748,40 2,41 0.029,42 4.785,43 3.737,44 3.737,45 3.737,46 2,47 4.158,48 296.995,49 15.16,50 15.16,51 15.16,52 31.278,53 7.98,54 7.98,55 2,56 34,57 22.593,58 23.57,59 26,60 9,61 7.662,62 23.921,63 22.008,64 2.175,65 0.67,66 9.436,67 5.476,68 7.886}
{0 CHEMBL39256,1 1,2 2,3 1,4 2,5 3.045,7 2,8 1,9 171.89,10 1,11 2,12 1,13 37.085,14 3,15 163.465,16 20.139,17 0.157,18 18.627,19 4.81,20 4.81,21 1,22 3.79,23 3,24 2,25 2,26 7.32,28 7.281,29 6.663,30 37.085,31 3.719,32 3.719,33 4.663,34 4.663,36 0.779,37 4.673,38 4.673,39 4.673,41 0.029,42 4.777,43 3.719,44 3.719,45 3.719,46 2,47 4.036,48 106.746,49 15.062,50 15.062,51 15.062,52 31.278,53 7.963,54 7.963,55 1,56 28,57 39.133,58 23.185,59 22,60 3,61 7.554,62 23.819,63 19.493,64 2.179,65 0.67,66 8.265,67 5.416,68 7.553}
{0 CHEMBL39260,4 1,5 2.398,6 2,9 135.3,11 1,13 5.807,14 3,15 71.069,16 20.105,17 0.037,18 18.602,19 4.801,20 4.801,22 3.752,25 2,26 7.66,29 6.661,30 5.807,31 3.737,32 3.737,33 4.661,34 4.661,37 4.66,38 4.66,39 4.66,41 0.034,42 4.728,43 3.737,44 3.737,45 3.737,46 1,47 4.028,48 120.673,49 15.16,50 15.16,51 15.16,53 7.98,54 7.98,55 1,56 29,57 5.807,58 23.146,59 23,60 9,61 7.066,62 23.921,63 20.022,64 2.175,65 0.83,66 8.153,67 4.844,68 6.611}
{0 CHEMBL39535,4 1,5 2.398,6 2,9 150.13,11 1,13 5.807,14 1,15 71.069,16 20.105,17 0.035,18 18.602,19 4.801,20 4.801,22 3.745,24 1,26 7.66,29 6.661,30 5.807,31 3.737,32 3.737,33 4.661,34 4.661,37 4.66,38 4.66,39 4.66,41 0.034,42 4.728,43 3.737,44 3.737,45 3.737,46 1,47 4.028,48 120.673,49 15.16,50 15.16,51 15.16,53 7.98,54 7.98,55 2,56 29,57 23.696,58 23.146,59 23,60 13,61 7.066,62 23.921,63 20.022,64 2.175,65 0.5,66 8.075,67 4.844,68 6.211}
{0 CHEMBL39546,1 1,2 1,3 1,4 2,5 3.045,7 1,8 1,9 187.18,11 2,13 37.085,14 12,15 174.544,16 20.545,17 0.163,18 19.038,19 4.837,20 4.837,21 1,22 3.806,24 1,25 3,26 7.748,27 1,28 4.013,29 6.665,30 37.085,31 4.242,32 4.242,33 4.665,34 4.665,35 1,36 0.918,37 4.748,38 4.748,39 4.748,40 2,41 0.031,42 4.784,43 3.794,44 3.794,45 3.794,46 2,47 4.157,48 303.259,49 15.832,50 15.832,51 15.832,52 31.278,53 8.177,54 8.177,55 1,56 34,57 22.593,58 23.594,59 26,61 7.67,62 24.603,63 22.466,64 2.161,65 0.67,66 8.559,67 5.476,68 8.301}
{0 CHEMBL39578,4 1,5 2.398,6 2,9 135.3,11 1,13 5.807,14 3,15 74.523,16 20.105,17 0.034,18 18.602,19 4.801,20 4.801,22 3.759,26 7.66,29 6.661,30 5.807,31 3.737,32 3.737,33 4.661,34 4.661,37 4.66,38 4.66,39 4.66,41 0.034,42 4.729,43 3.737,44 3.737,45 3.737,46 1,47 4.028,48 126.75,49 15.16,50 15.16,51 15.16,53 7.98,54 7.98,56 29,57 5.807,58 23.146,59 23,60 9,61 7.066,62 23.921,63 20.375,64 2.175,65 0.83,66 8.246,67 4.844,68 6.495}
{0 CHEMBL39680,4 1,5 2.398,6 1,9 138.1,11 1,13 5.807,14 1,15 69.713,16 20.167,17 0.049,18 18.666,19 4.809,20 4.809,22 3.777,26 7.671,29 6.663,30 5.807,31 3.751,32 3.751,33 4.663,34 4.663,37 4.671,38 4.671,39 4.671,41 0.031,42 4.729,43 3.737,44 3.737,45 3.737,46 1,47 4.028,48 118.403,49 15.16,50 15.16,51 15.16,53 7.98,54 7.98,56 29,57 5.807,58 23.204,59 23,60 9,61 7.066,62 23.921,63 19.68,64 2.175,65 0.83,66 8.16,67 4.844,68 6.893}
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{0 CHEMBL39902,4 1,5 2.398,6 1,9 117.87,11 1,13 62.589,14 1,15 68.347,16 20.163,17 0.021,18 18.662,19 4.809,20 4.809,22 3.793,26 7.671,29 6.662,30 5.807,31 3.751,32 3.751,33 4.662,34 4.662,37 4.671,38 4.671,39 4.671,41 0.029,42 10.695,43 3.719,44 3.719,45 3.719,46 2,47 4.727,48 116.071,49 15.062,50 15.062,51 15.062,52 56.782,53 7.963,54 7.963,56 29,57 5.807,58 23.201,59 23,60 4,61 7.066,62 23.819,63 20.773,64 2.179,65 0.83,66 8.959,67 4.844,68 7.161}
{0 CHEMBL399457,6 2,9 161.75,11 2,13 11.615,14 4,16 20.814,17 -0.03,18 19.296,19 4.854,20 4.854,22 3.88,23 5,26 7.704,29 6.69,30 50.764,31 4.66,32 4.66,33 4.69,34 4.69,37 4.704,38 4.704,39 4.704,41 0.031,42 4.741,43 3.39,44 3.39,45 3.39,46 3,47 4.724,49 12.498,50 12.498,51 12.498,53 7.307,54 7.307,56 18,57 59.811,58 23.885,59 18,60 6,62 19.83,63 18.759,64 2.079,65 0.67,66 2.93,68 6.796}
{0 CHEMBL40057,4 1,5 2.398,6 1,9 206.64,11 2,13 11.615,14 1,15 80.401,16 20.975,17 0.047,18 19.438,19 4.944,20 4.944,22 3.996,26 7.836,29 6.75,30 89.912,31 4.598,32 4.598,33 4.75,34 4.75,37 4.836,38 4.836,39 4.836,41 0.039,42 4.781,43 3.781,44 3.781,45 3.781,46 4,47 4.681,48 138.573,49 15.781,50 15.781,51 15.781,53 8.17,54 8.17,56 29,57 89.912,58 24.069,59 23,60 10,61 7.081,62 24.547,63 25.085,64 2.177,65 0.5,66 9.901,67 4.844,68 7}
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{0 CHEMBL411465,4 1,5 2.398,6 2,9 138.1,11 1,13 5.807,14 1,15 71.069,16 20.105,17 0.034,18 18.602,19 4.801,20 4.801,22 3.759,26 7.66,29 6.661,30 5.807,31 3.737,32 3.737,33 4.661,34 4.661,37 4.66,38 4.66,39 4.66,41 0.034,42 4.728,43 3.737,44 3.737,45 3.737,46 1,47 4.028,48 120.673,49 15.16,50 15.16,51 15.16,53 7.98,54 7.98,55 2,56 29,57 5.807,58 23.146,59 23,60 12,61 7.066,62 23.921,63 20.022,64 2.175,65 0.83,66 8.233,67 4.844,68 7.398}
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{0 CHEMBL411850,6 3,7 2,9 139.33,11 1,13 5.807,14 2,16 20.222,17 0.115,18 18.74,19 4.801,20 4.801,21 1,22 3.667,23 2,26 7.66,28 8.353,29 6.661,30 5.807,31 4.076,32 4.076,33 4.661,34 4.661,37 4.66,38 4.66,39 4.66,41 0.024,42 4.728,43 3.314,44 3.314,45 3.314,46 1,47 3.966,49 11.657,50 11.657,51 11.657,53 7.111,54 7.111,56 18,57 41.278,58 23.246,59 18,60 3,62 18.536,63 15.377,64 2.101,65 1,66 2.16,68 7.161}
{0 CHEMBL41204,1 1,2 2,3 1,4 2,5 3.045,7 2,8 1,9 192.12,10 1,11 2,12 1,13 37.085,14 3,15 166.545,16 20.152,17 0.151,18 18.642,19 4.81,20 4.81,21 1,22 3.792,23 3,24 2,25 2,26 7.32,28 7.238,29 6.663,30 37.085,31 3.781,32 3.781,33 4.663,34 4.663,36 0.746,37 4.673,38 4.673,39 4.673,41 0.03,42 4.777,43 3.781,44 3.781,45 3.781,46 2,47 4.039,48 109.406,49 15.781,50 15.781,51 15.781,52 31.278,53 8.17,54 8.17,55 1,56 28,57 39.133,58 23.195,59 22,60 8,61 7.564,62 24.547,63 19.952,64 2.177,65 0.67,66 8.314,67 5.416,68 6.886}
{0 CHEMBL412126,4 1,5 2.398,6 2,9 138.1,11 1,13 5.807,14 1,15 64.362,16 20.225,17 0.042,18 18.711,19 4.843,20 4.843,22 3.737,26 7.704,29 6.684,30 5.807,31 3.781,32 3.781,33 4.684,34 4.684,37 4.704,38 4.704,39 4.704,41 0.033,42 4.73,43 3.781,44 3.781,45 3.781,46 1,47 4.028,48 110.237,49 15.781,50 15.781,51 15.781,53 8.17,54 8.17,56 29,57 5.807,58 23.286,59 23,60 11,61 7.081,62 24.547,63 19.504,64 2.177,65 0.83,66 8.177,67 4.844,68 6.011}
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{0 CHEMBL414,6 2,9 105.84,11 1,13 5.807,14 1,16 20.046,17 -0.098,18 18.526,19 4.802,20 4.802,22 2.687,25 2,26 7.661,29 6.661,30 5.807,31 3.632,32 3.632,33 4.661,34 4.661,37 4.661,38 4.661,39 4.661,41 0.08,42 4.728,43 3.315,44 3.315,45 3.315,46 1,47 3.767,49 11.658,50 11.658,51 11.658,53 7.111,54 7.111,55 3,56 6,57 5.807,58 23.111,59 6,60 4,62 18.544,63 7.609,64 2.062,65 1,66 0.79,68 7.066}
{0 CHEMBL414154,1 1,2 1,3 1,4 1,5 2.398,7 1,8 2,9 263.58,11 2,13 37.085,14 4,15 110.959,16 20.462,17 0.112,18 18.939,19 4.837,20 4.837,21 1,22 3.607,24 4,25 2,26 7.748,27 1,28 3.92,29 6.665,30 37.085,31 4.241,32 4.241,33 4.665,34 4.665,35 1,36 0.875,37 4.748,38 4.748,39 4.748,40 2,41 0.022,42 4.784,43 3.355,44 3.355,45 3.355,46 2,47 4.155,48 195.78,49 11.786,50 11.786,51 11.786,52 31.278,53 7.132,54 7.132,55 1,56 11,57 22.593,58 23.537,59 9,61 6.862,62 19.001,63 18.622,64 1.981,65 0.33,66 3.181,67 4.727,68 8.097}
{0 CHEMBL41417,4 1,5 2.398,6 1,9 138.1,11 1,13 5.807,14 1,15 69.713,16 20.167,17 0.047,18 18.666,19 4.809,20 4.809,22 3.791,26 7.671,29 6.663,30 44.956,31 3.751,32 3.751,33 4.663,34 4.663,37 4.671,38 4.671,39 4.671,41 0.031,42 4.73,43 3.737,44 3.737,45 3.737,46 2,47 4.031,48 118.403,49 15.16,50 15.16,51 15.16,53 7.98,54 7.98,56 29,57 44.956,58 23.204,59 23,60 9,61 7.066,62 23.921,63 20.581,64 2.175,65 0.83,66 8.466,67 4.844,68 7.523}
{0 CHEMBL41486,1 1,2 2,3 1,4 2,5 3.045,7 2,8 1,9 192.12,10 1,11 2,12 1,13 37.085,14 3,15 167.295,16 20.142,17 0.151,18 18.631,19 4.81,20 4.81,21 1,22 3.791,23 3,24 2,25 2,26 7.32,28 7.25,29 6.663,30 37.085,31 3.737,32 3.737,33 4.663,34 4.663,36 0.756,37 4.673,38 4.673,39 4.673,41 0.03,42 4.777,43 3.737,44 3.737,45 3.737,46 2,47 4.039,48 109.078,49 15.16,50 15.16,51 15.16,52 31.278,53 7.98,54 7.98,55 1,56 28,57 39.133,58 23.188,59 22,60 8,61 7.554,62 23.921,63 20.043,64 2.175,65 0.67,66 8.342,67 5.416,68 6.62}
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{0 CHEMBL416221,6 6,9 413.44,11 4,13 23.23,16 21.557,17 -0.048,18 20.013,19 4.917,20 4.917,22 4.681,24 4,25 4,26 7.804,29 6.743,30 101.527,31 4.804,32 4.804,33 4.743,34 4.743,37 4.804,38 4.804,39 4.804,41 0.05,42 4.791,43 3.464,44 3.464,45 3.464,46 6,47 4.764,49 12.54,50 12.54,51 12.54,53 7.322,54 7.322,55 2,56 12,57 101.527,58 24.659,59 12,60 8,62 20.197,63 31.244,64 2.097,65 0.17,66 5.369,68 7.161}
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{0 CHEMBL417728,6 2,8 1,9 155.17,11 1,13 5.807,14 1,16 20.087,17 -0.048,18 18.587,19 4.802,20 4.802,22 3.532,24 1,25 2,26 7.661,29 6.661,30 5.807,31 3.663,32 3.663,33 4.661,34 4.661,37 4.661,38 4.661,39 4.661,41 0.034,42 4.728,43 3.315,44 3.315,45 3.315,46 1,47 3.885,49 11.658,50 11.658,51 11.658,53 7.111,54 7.111,55 3,56 12,57 5.807,58 23.137,59 12,60 8,62 18.556,63 12.944,64 2.07,65 0.83,66 1.74,68 6.921}
{0 CHEMBL417986,1 1,6 2,9 204.98,11 4,13 88.788,16 20.783,17 0.021,18 19.254,19 4.858,20 4.858,22 3.727,24 1,26 7.709,29 6.686,30 88.788,31 4.657,32 4.657,33 4.686,34 4.686,37 4.709,38 4.709,39 4.709,41 0.036,42 4.749,43 3.394,44 3.394,45 3.394,46 4,47 4.715,49 12.508,50 12.508,51 12.508,52 77.173,53 7.308,54 7.308,56 18,57 44.425,58 23.865,59 18,60 4,62 19.852,63 17.718,64 2.1,65 0.83,66 3.395,68 8}
{0 CHEMBL418,6 2,9 163.1,10 2,11 2,13 11.615,16 20.897,17 -0.086,18 19.353,19 4.943,20 4.943,22 3.275,26 7.814,29 6.768,30 11.615,31 4.602,32 4.602,33 4.768,34 4.768,37 4.814,38 4.814,39 4.814,41 0.048,42 4.773,43 3.552,44 3.552,45 3.552,46 2,47 4.68,49 13.184,50 13.184,51 13.184,53 7.492,54 7.492,56 6,57 11.615,58 24,59 6,60 2,62 21.301,63 11.108,64 2.107,65 0.67,66 2.057,68 6.812}
{0 CHEMBL418047,1 1,2 1,3 1,4 1,5 2.398,7 1,9 188.1,11 2,13 37.085,14 2,15 53.399,16 20.461,17 0.126,18 18.937,19 4.837,20 4.837,21 1,22 3.471,24 3,25 1,26 7.748,27 1,28 3.888,29 6.665,30 37.085,31 4.242,32 4.242,33 4.665,34 4.665,35 1,36 0.899,37 4.748,38 4.748,39 4.748,40 2,41 0.029,42 4.784,43 3.355,44 3.355,45 3.355,46 2,47 4.156,48 96.068,49 11.786,50 11.786,51 11.786,52 31.278,53 7.132,54 7.132,55 2,56 11,57 22.593,58 23.537,59 9,60 1,61 6.862,62 19.001,63 12.464,64 1.999,65 0.83,66 2.396,67 4.727,68 7.854}
{0 CHEMBL418051,6 4,9 276.36,11 2,13 11.615,16 20.84,17 -0.029,18 19.307,19 4.843,20 4.843,22 3.734,24 4,25 4,26 7.704,29 6.684,30 11.615,31 4.704,32 4.704,33 4.684,34 4.684,37 4.704,38 4.704,39 4.704,41 0.032,42 4.737,43 3.377,44 3.377,45 3.377,46 2,47 4.722,49 12.24,50 12.24,51 12.24,53 7.248,54 7.248,55 2,56 12,57 11.615,58 23.929,59 12,60 6,62 19.753,63 21.493,64 2.07,65 0.17,66 2.966,68 6.187}
{0 CHEMBL418070,4 1,5 2.398,6 1,9 138.1,11 1,13 5.807,14 1,15 69.713,16 20.167,17 0.031,18 18.666,19 4.809,20 4.809,22 3.794,26 7.671,29 6.662,30 5.807,31 3.751,32 3.751,33 4.662,34 4.662,37 4.671,38 4.671,39 4.671,41 0.031,42 6.88,43 3.737,44 3.737,45 3.737,46 2,47 4.726,48 118.403,49 15.16,50 15.16,51 15.16,52 45.954,53 7.98,54 7.98,56 29,57 5.807,58 23.204,59 23,60 9,61 7.066,62 23.921,63 20.952,64 2.175,65 0.83,66 8.803,67 4.844,68 7.638}
{0 CHEMBL418085,6 2,9 134.94,11 1,13 5.807,14 2,16 20.05,17 -0.021,18 18.531,19 4.802,20 4.802,22 3.278,25 3,26 7.661,29 6.661,30 5.807,31 3.651,32 3.651,33 4.661,34 4.661,37 4.661,38 4.661,39 4.661,41 0.038,42 4.728,43 3.315,44 3.315,45 3.315,46 1,47 3.792,49 11.658,50 11.658,51 11.658,53 7.111,54 7.111,55 4,56 6,57 5.807,58 23.114,59 6,60 4,62 18.551,63 10.02,64 2.068,65 1,66 1.126,68 6.921}
{0 CHEMBL418163,1 2,3 1,4 1,5 2.398,6 1,8 2,9 212.4,11 5,13 120.304,14 3,15 60.402,16 20.977,17 0.219,18 19.42,19 5.009,20 5.009,22 3.854,26 7.549,29 7.172,30 120.304,31 4.605,32 4.605,33 5.361,34 5.361,36 0.735,37 4.865,38 4.865,39 4.865,41 0.041,42 4.866,43 3.611,44 3.611,45 3.611,46 5,47 4.684,48 116.713,49 13.956,50 13.956,51 13.956,52 108.451,53 7.733,54 7.733,56 17,57 11.853,58 24.101,59 15,60 1,61 6.917,62 22.409,63 17.797,64 2.078,65 0.83,66 8.097,67 4.727,68 7.658}
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{0 CHEMBL418402,1 1,2 1,3 1,4 1,5 2.398,7 1,8 2,9 206.56,11 2,13 37.085,14 4,15 78.461,16 20.459,17 0.104,18 18.935,19 4.837,20 4.837,21 1,22 3.538,24 4,25 2,26 7.748,27 1,28 3.941,29 6.665,30 37.085,31 4.241,32 4.241,33 4.665,34 4.665,35 1,36 0.943,37 4.748,38 4.748,39 4.748,40 2,41 0.019,42 4.784,43 3.355,44 3.355,45 3.355,46 2,47 4.155,48 139.581,49 11.786,50 11.786,51 11.786,52 31.278,53 7.132,54 7.132,55 1,56 11,57 22.593,58 23.536,59 9,61 6.862,62 19.001,63 14.573,64 1.98,65 0.5,66 2.657,67 4.727,68 8.046}
{0 CHEMBL418599,6 3,9 284.56,11 2,13 11.615,16 20.865,17 -0.011,18 19.322,19 4.916,20 4.916,22 3.731,24 4,25 2,26 7.804,29 6.743,30 50.764,31 4.598,32 4.598,33 4.743,34 4.743,37 4.804,38 4.804,39 4.804,41 0.045,42 4.777,43 3.464,44 3.464,45 3.464,46 3,47 4.681,49 12.54,50 12.54,51 12.54,53 7.322,54 7.322,55 1,56 6,57 50.764,58 23.967,59 6,60 4,62 20.197,63 20.036,64 2.096,65 0.17,66 3.086,68 6.979}
{0 CHEMBL41878,4 1,5 2.398,6 3,9 206.64,11 2,13 11.615,14 1,15 78.682,16 20.899,17 0.045,18 19.364,19 4.916,20 4.916,22 3.851,26 7.804,29 6.743,30 50.764,31 4.598,32 4.598,33 4.743,34 4.743,37 4.804,38 4.804,39 4.804,41 0.043,42 4.778,43 3.737,44 3.737,45 3.737,46 3,47 4.681,48 134.514,49 15.16,50 15.16,51 15.16,53 7.98,54 7.98,56 29,57 50.764,58 23.987,59 23,60 12,61 7.066,62 23.921,63 24.471,64 2.175,65 0.5,66 9.406,67 4.844,68 7.337}
{0 CHEMBL418783,1 1,2 2,3 1,4 1,5 2.398,7 2,8 3,9 215.88,10 1,11 3,12 1,13 42.893,14 4,15 105.878,16 20.811,17 0.143,18 19.28,19 4.864,20 4.864,21 1,22 3.778,23 4,24 2,25 8,26 7.718,28 6.747,29 6.687,30 42.893,31 4.661,32 4.661,33 4.687,34 4.687,36 0.471,37 4.718,38 4.718,39 4.718,41 0.029,42 4.796,43 3.403,44 3.403,45 3.403,46 3,47 4.717,49 12.512,50 12.512,51 12.512,52 31.278,53 7.309,54 7.309,55 4,56 11,57 61.346,58 23.893,59 11,60 2,61 6.605,62 19.878,63 17.301,64 2.063,65 0.5,66 3.054,67 4.595,68 8.155}
{0 CHEMBL419,6 4,9 94.56,11 1,13 5.807,16 20.023,17 -0.037,18 18.499,19 4.801,20 4.801,22 2.687,26 7.66,29 6.661,30 5.807,31 3.424,32 3.424,33 4.661,34 4.661,37 4.66,38 4.66,39 4.66,41 0.083,42 4.728,43 3.313,44 3.313,45 3.313,46 1,47 3.742,49 11.657,50 11.657,51 11.657,53 7.111,54 7.111,55 2,56 6,57 5.807,58 23.095,59 6,60 4,62 18.531,63 6.879,64 2.073,65 1,66 0.849,68 3.45}
{0 CHEMBL419006,6 2,9 94.84,11 1,13 5.807,14 3,16 20.028,17 0.029,18 18.507,19 4.801,20 4.801,22 3.293,26 7.66,29 6.661,30 5.807,31 3.429,32 3.429,33 4.661,34 4.661,37 4.66,38 4.66,39 4.66,41 0.029,42 4.728,43 3.313,44 3.313,45 3.313,46 1,47 3.777,49 11.657,50 11.657,51 11.657,53 7.111,54 7.111,56 6,57 5.807,58 23.097,59 6,60 2,62 18.533,63 10.716,64 2.077,65 1,66 1.733,68 6.504}
{0 CHEMBL419188,6 3,9 166.18,11 2,13 11.615,14 1,16 20.865,17 0.052,18 19.321,19 4.917,20 4.917,22 3.695,26 7.804,29 6.743,30 50.764,31 4.598,32 4.598,33 4.743,34 4.743,37 4.804,38 4.804,39 4.804,41 0.051,42 4.777,43 3.465,44 3.465,45 3.465,46 3,47 4.681,49 12.541,50 12.541,51 12.541,53 7.322,54 7.322,56 6,57 50.764,58 23.967,59 6,60 6,62 20.201,63 14.812,64 2.098,65 0.83,66 2.891,68 6.876}
{0 CHEMBL419329,1 1,4 1,5 2.398,8 4,9 216.01,10 1,11 3,12 1,13 43.834,14 5,15 81.876,16 20.841,17 0.158,18 19.304,19 4.893,20 4.893,21 1,22 3.753,23 4,24 2,25 4,26 7.765,29 7.233,30 43.834,31 4.628,32 4.628,33 5.233,34 5.233,37 4.765,38 4.765,39 4.765,41 0.029,42 4.774,43 3.422,44 3.422,45 3.422,46 3,47 4.713,49 12.558,50 12.558,51 12.558,52 32.22,53 7.317,54 7.317,55 2,56 11,57 11.615,58 23.932,59 11,61 6.823,62 20.034,63 15.573,64 2.058,65 0.67,66 3.37,67 4.727,68 8}
{0 CHEMBL41941,4 1,5 2.398,6 1,9 158.33,11 1,13 5.807,14 1,15 70.735,16 20.179,17 0.029,18 18.68,19 4.809,20 4.809,22 3.796,26 7.671,29 6.662,30 5.807,31 3.794,32 3.794,33 4.662,34 4.662,37 4.671,38 4.671,39 4.671,41 0.032,42 6.88,43 3.794,44 3.794,45 3.794,46 2,47 4.726,48 121.063,49 15.832,50 15.832,51 15.832,52 45.954,53 8.177,54 8.177,56 29,57 5.807,58 23.213,59 23,60 14,61 7.081,62 24.603,63 21.41,64 2.173,65 0.5,66 8.834,67 4.844,68 7.222}
{0 CHEMBL419536,6 2,9 101.52,11 1,13 62.589,16 20.309,17 0.019,18 18.826,19 4.809,20 4.809,21 1,22 3.758,26 7.671,29 6.662,30 5.807,31 4.174,32 4.174,33 4.662,34 4.662,37 4.671,38 4.671,39 4.671,41 0.028,42 10.695,43 3.327,44 3.327,45 3.327,46 2,47 4.727,49 11.698,50 11.698,51 11.698,52 56.782,53 7.118,54 7.118,56 18,57 7.707,58 23.333,59 18,60 1,62 18.713,63 16.32,64 2.128,65 0.83,66 3.765,68 7.194}
{0 CHEMBL419553,1 1,4 1,5 2.398,8 3,9 144.03,10 1,11 2,12 1,13 38.027,14 5,15 65.537,16 19.955,17 0.272,18 18.434,19 4.817,20 4.817,21 1,22 3.279,23 3,24 1,25 2,26 7.271,29 7.034,30 38.027,31 3.488,32 3.488,33 5.232,34 5.232,37 4.632,38 4.632,39 4.632,41 0.021,42 4.748,43 3.35,44 3.35,45 3.35,46 2,47 3.909,49 11.768,50 11.768,51 11.768,52 32.22,53 7.13,54 7.13,55 1,56 5,57 5.807,58 23.009,59 5,61 6.823,62 18.981,63 10.887,64 1.993,65 0.83,66 2.263,67 4.727,68 7.377}
{0 CHEMBL419604,1 1,2 2,3 1,4 1,5 2.398,7 2,8 2,9 259.32,10 1,11 3,12 1,13 42.893,14 2,15 96.663,16 20.803,17 0.15,18 19.27,19 4.864,20 4.864,21 1,22 3.771,23 4,24 3,25 4,26 7.717,28 6.723,29 6.687,30 42.893,31 4.661,32 4.661,33 4.687,34 4.687,36 0.466,37 4.717,38 4.717,39 4.717,41 0.028,42 4.796,43 3.402,44 3.402,45 3.402,46 3,47 4.717,49 12.511,50 12.511,51 12.511,52 31.278,53 7.309,54 7.309,55 2,56 11,57 61.346,58 23.886,59 11,60 2,61 6.605,62 19.873,63 16.842,64 2.066,65 0.5,66 2.912,67 4.595,68 8.301}
{0 CHEMBL420096,6 2,9 101.52,11 1,13 62.589,16 20.297,17 0.016,18 18.814,19 4.809,20 4.809,21 1,22 3.754,26 7.671,29 6.662,30 5.807,31 4.152,32 4.152,33 4.662,34 4.662,37 4.671,38 4.671,39 4.671,41 0.027,42 10.695,43 3.327,44 3.327,45 3.327,46 2,47 4.727,49 11.698,50 11.698,51 11.698,52 56.782,53 7.118,54 7.118,56 18,57 7.707,58 23.321,59 18,60 1,62 18.712,63 15.937,64 2.119,65 0.83,66 3.335,68 7.229}
{0 CHEMBL420105,1 1,2 1,3 1,4 1,5 2.398,6 1,7 1,9 142.65,11 2,13 37.085,14 2,15 92.807,16 20.635,17 0.209,18 19.138,19 4.837,20 4.837,21 2,22 3.759,24 1,25 1,26 7.748,27 1,28 4.056,29 6.665,30 37.085,31 4.242,32 4.242,33 4.665,34 4.665,35 1,36 0.981,37 4.748,38 4.748,39 4.748,40 2,41 0.037,42 4.784,43 3.355,44 3.355,45 3.355,46 2,47 4.158,48 162.266,49 11.786,50 11.786,51 11.786,52 31.278,53 7.132,54 7.132,55 2,56 23,57 24.492,58 23.679,59 21,60 1,61 6.862,62 19.006,63 18.484,64 2.137,65 0.67,66 4.427,67 4.727,68 7.42}
{0 CHEMBL420572,1 1,2 2,3 1,4 1,5 2.398,6 2,7 2,8 2,9 180.99,10 1,11 3,12 1,13 42.893,14 2,15 104.91,16 20.972,17 0.176,18 19.452,19 4.865,20 4.865,21 1,22 3.977,23 4,24 2,25 4,26 7.719,28 7.007,29 6.687,30 42.893,31 4.662,32 4.662,33 4.687,34 4.687,36 0.557,37 4.719,38 4.719,39 4.719,41 0.025,42 4.796,43 3.405,44 3.405,45 3.405,46 3,47 4.717,49 12.513,50 12.513,51 12.513,52 31.278,53 7.309,54 7.309,55 2,56 29,57 63.245,58 24.036,59 25,60 2,61 6.605,62 20.032,63 20.042,64 2.154,65 0.67,66 5.301,67 4.595,68 8.337}
{0 CHEMBL420610,1 1,2 1,3 1,4 2,5 3.045,7 2,8 1,9 161.63,11 2,13 37.085,14 8,15 92.752,16 20.605,17 0.081,18 19.098,19 4.838,20 4.838,21 1,22 3.475,23 2,24 1,25 4,26 7.749,27 1,28 7.882,29 6.665,30 37.085,31 4.275,32 4.275,33 4.665,34 4.665,35 1,36 0.875,37 4.749,38 4.749,39 4.749,40 2,41 0.027,42 4.784,43 3.377,44 3.377,45 3.377,46 2,47 4.165,48 173.425,49 12.136,50 12.136,51 12.136,52 31.278,53 7.133,54 7.133,55 1,56 22,57 39.378,58 23.657,59 18,61 7.743,62 19.658,63 13.6,64 1.988,65 0.83,66 3.037,67 5.533,68 8.046}
{0 CHEMBL421200,1 1,2 1,3 1,4 1,5 2.398,6 1,7 1,9 142.65,11 2,13 37.085,14 2,15 81.069,16 20.606,17 0.187,18 19.109,19 4.837,20 4.837,21 2,22 3.746,24 1,25 1,26 7.748,27 1,28 4.017,29 6.665,30 37.085,31 4.242,32 4.242,33 4.665,34 4.665,35 1,36 0.973,37 4.748,38 4.748,39 4.748,40 2,41 0.026,42 4.784,43 3.355,44 3.355,45 3.355,46 2,47 4.158,48 142.614,49 11.786,50 11.786,51 11.786,52 31.278,53 7.132,54 7.132,55 2,56 23,57 24.492,58 23.652,59 21,60 1,61 6.862,62 19.001,63 16.623,64 2.119,65 0.83,66 3.735,67 4.727,68 7.721}
{0 CHEMBL421767,6 2,9 205.08,11 2,13 50.999,14 1,16 20.032,17 0.024,18 18.512,19 4.801,20 4.801,22 3.596,24 1,26 7.66,29 6.661,30 50.999,31 3.462,32 3.462,33 4.661,34 4.661,37 4.66,38 4.66,39 4.66,41 0.033,42 4.728,43 3.313,44 3.313,45 3.313,46 2,47 3.956,49 11.657,50 11.657,51 11.657,52 45.192,53 7.111,54 7.111,55 1,56 6,57 5.807,58 23.099,59 6,60 6,62 18.535,63 12.431,64 2.064,65 0.67,66 1.461,68 7.638}
{0 CHEMBL421940,6 2,9 161.99,11 2,13 50.999,14 1,16 20.028,18 18.506,19 4.801,20 4.801,22 3.501,26 7.66,29 6.661,30 50.999,31 3.46,32 3.46,33 4.661,34 4.661,37 4.66,38 4.66,39 4.66,41 0.04,42 4.728,43 3.313,44 3.313,45 3.313,46 2,47 3.945,49 11.657,50 11.657,51 11.657,52 45.192,53 7.111,54 7.111,56 6,57 5.807,58 23.097,59 6,60 5,62 18.535,63 10.545,64 2.064,65 0.83,66 1.148,68 7.456}
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{0 CHEMBL430600,9 94.56,11 1,13 62.589,16 20.16,17 -0.037,18 18.641,19 4.819,20 4.819,22 3.531,26 7.683,29 6.664,30 5.807,31 3.906,32 3.906,33 4.664,34 4.664,37 4.683,38 4.683,39 4.683,41 0.035,42 10.695,43 3.342,44 3.342,45 3.342,46 3,47 6.88,49 11.745,50 11.745,51 11.745,52 102.736,53 7.127,54 7.127,56 6,57 5.807,58 23.223,59 6,62 18.783,63 9.589,64 2.034,65 1,66 2.068,68 6.602}
{0 CHEMBL430667,6 3,9 98.72,11 1,13 5.807,14 1,16 20.182,17 0.11,18 18.686,19 4.801,20 4.801,21 2,22 3.427,25 2,26 7.66,29 6.661,30 5.807,31 4.076,32 4.076,33 4.661,34 4.661,37 4.66,38 4.66,39 4.66,41 0.03,42 4.728,43 3.313,44 3.313,45 3.313,46 1,47 3.958,49 11.657,50 11.657,51 11.657,53 7.111,54 7.111,55 1,56 12,57 7.707,58 23.22,59 12,60 2,62 18.533,63 12.584,64 2.099,65 1,66 1.839,68 6.854}
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{0 CHEMBL43286,1 1,2 1,3 1,4 2,5 3.045,7 1,8 2,9 185.66,11 2,13 37.085,14 6,15 199.963,16 20.511,17 0.121,18 19,19 4.837,20 4.837,21 1,22 3.793,24 1,25 2,26 7.748,27 1,28 4.037,29 6.665,30 37.085,31 4.241,32 4.241,33 4.665,34 4.665,35 1,36 0.988,37 4.748,38 4.748,39 4.748,40 2,41 0.028,42 4.785,43 3.737,44 3.737,45 3.737,46 2,47 4.156,48 347.626,49 15.16,50 15.16,51 15.16,52 31.278,53 7.98,54 7.98,55 1,56 34,57 22.593,58 23.568,59 26,60 7,61 7.662,62 23.921,63 23.056,64 2.175,65 0.67,66 9.483,67 5.476,68 8.046}
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{0 CHEMBL51143,6 3,8 1,9 155.17,11 1,13 5.807,14 1,16 20.201,17 0.009,18 18.673,19 4.847,20 4.847,22 3.427,24 1,26 7.713,29 6.693,30 44.956,31 3.704,32 3.704,33 4.693,34 4.693,37 4.713,38 4.713,39 4.713,41 0.043,42 4.736,43 3.381,44 3.381,45 3.381,46 2,47 3.908,49 12.189,50 12.189,51 12.189,53 7.242,54 7.242,56 6,57 44.956,58 23.283,59 6,60 5,62 19.613,63 11.627,64 2.056,65 0.83,66 1.345,68 6.134}
{0 CHEMBL51200,6 2,8 2,9 178.03,11 1,13 5.807,14 2,16 20.055,17 -0.014,18 18.538,19 4.802,20 4.802,22 3.298,24 1,25 2,26 7.661,29 6.661,30 5.807,31 3.658,32 3.658,33 4.661,34 4.661,37 4.661,38 4.661,39 4.661,41 0.035,42 4.728,43 3.315,44 3.315,45 3.315,46 1,47 3.812,49 11.658,50 11.658,51 11.658,53 7.111,54 7.111,55 3,56 6,57 5.807,58 23.116,59 6,60 4,62 18.556,63 11.211,64 2.068,65 0.67,66 1.182,68 6.81}
{0 CHEMBL51213,1 1,6 3,8 1,9 160.24,11 2,13 38.027,14 1,16 20.199,17 -0.138,18 18.671,19 4.847,20 4.847,22 3.598,24 1,26 7.713,29 6.693,30 77.176,31 3.703,32 3.703,33 4.693,34 4.693,37 4.713,38 4.713,39 4.713,41 0.04,42 4.736,43 3.381,44 3.381,45 3.381,46 3,47 3.916,49 12.189,50 12.189,51 12.189,52 32.22,53 7.242,54 7.242,56 6,57 44.956,58 23.282,59 6,60 5,62 19.613,63 12.048,64 2.056,65 0.83,66 1.905,68 6.187}
{0 CHEMBL51346,6 2,8 2,9 164.04,11 1,13 5.807,14 1,16 20.056,17 0.053,18 18.54,19 4.802,20 4.802,22 3.488,24 2,25 2,26 7.661,29 6.661,30 5.807,31 3.658,32 3.658,33 4.661,34 4.661,37 4.661,38 4.661,39 4.661,41 0.035,42 4.728,43 3.315,44 3.315,45 3.315,46 1,47 3.822,49 11.658,50 11.658,51 11.658,53 7.111,54 7.111,55 3,56 6,57 5.807,58 23.117,59 6,60 7,62 18.557,63 12.916,64 2.07,65 0.83,66 1.592,68 7.796}
{0 CHEMBL51385,6 2,8 1,9 134.94,11 1,13 5.807,14 1,16 20.05,17 -0.058,18 18.531,19 4.802,20 4.802,22 3.112,24 1,25 2,26 7.661,29 6.661,30 5.807,31 3.652,32 3.652,33 4.661,34 4.661,37 4.661,38 4.661,39 4.661,41 0.044,42 4.728,43 3.315,44 3.315,45 3.315,46 1,47 3.791,49 11.658,50 11.658,51 11.658,53 7.111,54 7.111,55 3,56 6,57 5.807,58 23.114,59 6,60 4,62 18.551,63 9.313,64 2.067,65 1,66 0.974,68 6.699}
{0 CHEMBL51416,6 3,8 1,9 155.17,11 1,13 5.807,14 1,16 20.199,17 -0.055,18 18.671,19 4.847,20 4.847,22 3.409,24 1,26 7.713,29 6.693,30 44.956,31 3.703,32 3.703,33 4.693,34 4.693,37 4.713,38 4.713,39 4.713,41 0.041,42 4.736,43 3.381,44 3.381,45 3.381,46 2,47 3.907,49 12.189,50 12.189,51 12.189,53 7.242,54 7.242,56 6,57 44.956,58 23.282,59 6,60 4,62 19.612,63 10.887,64 2.055,65 0.83,66 1.288,68 6.403}
{0 CHEMBL51437,6 3,9 134.94,11 1,13 5.807,14 2,16 20.196,18 18.667,19 4.847,20 4.847,22 3.472,25 1,26 7.713,29 6.693,30 44.956,31 3.698,32 3.698,33 4.693,34 4.693,37 4.713,38 4.713,39 4.713,41 0.042,42 4.736,43 3.381,44 3.381,45 3.381,46 2,47 3.905,49 12.189,50 12.189,51 12.189,53 7.242,54 7.242,55 1,56 6,57 44.956,58 23.28,59 6,60 4,62 19.611,63 10.918,64 2.056,65 1,66 1.372,68 6.268}
{0 CHEMBL51455,6 3,8 2,9 164.04,11 1,13 5.807,14 1,16 20.198,17 -0.023,18 18.669,19 4.847,20 4.847,22 3.494,24 2,26 7.713,29 6.693,30 44.956,31 3.699,32 3.699,33 4.693,34 4.693,37 4.713,38 4.713,39 4.713,41 0.04,42 4.736,43 3.381,44 3.381,45 3.381,46 2,47 3.905,49 12.189,50 12.189,51 12.189,53 7.242,54 7.242,56 6,57 44.956,58 23.281,59 6,60 4,62 19.611,63 11.893,64 2.055,65 0.83,66 1.37,68 6.77}
{0 CHEMBL51456,6 3,8 1,9 175.4,11 1,13 5.807,14 1,16 20.27,17 -0.026,18 18.762,19 4.847,20 4.847,22 3.613,24 1,26 7.713,29 6.693,30 44.956,31 3.873,32 3.873,33 4.693,34 4.693,37 4.713,38 4.713,39 4.713,41 0.036,42 4.736,43 3.381,44 3.381,45 3.381,46 2,47 3.922,49 12.189,50 12.189,51 12.189,53 7.242,54 7.242,55 1,56 12,57 44.956,58 23.331,59 12,60 10,62 19.613,63 14.349,64 2.059,65 0.67,66 2.002,68 6.481}
{0 CHEMBL51506,6 4,9 166.18,11 2,13 11.615,14 1,16 20.73,17 -0.085,18 19.208,19 4.802,20 4.802,22 3.706,25 2,26 7.661,29 6.661,30 11.615,31 4.66,32 4.66,33 4.661,34 4.661,37 4.661,38 4.661,39 4.661,41 0.051,42 4.735,43 3.315,44 3.315,45 3.315,46 2,47 4.721,49 11.658,50 11.658,51 11.658,53 7.111,54 7.111,55 5,56 12,57 11.615,58 23.798,59 12,60 8,62 18.551,63 14.39,64 2.083,65 0.83,66 1.897,68 7.796}
{0 CHEMBL51517,6 3,8 1,9 173.74,11 2,13 44.371,14 1,16 20.199,17 -0.125,18 18.671,19 4.847,20 4.847,22 3.49,24 1,26 7.713,29 6.693,30 83.52,31 3.703,32 3.703,33 4.693,34 4.693,37 4.713,38 4.713,39 4.713,41 0.041,42 4.736,43 3.381,44 3.381,45 3.381,46 3,47 3.912,49 12.189,50 12.189,51 12.189,52 38.564,53 7.242,54 7.242,56 6,57 44.956,58 23.282,59 6,60 4,62 19.612,63 11.092,64 2.055,65 0.83,66 1.37,68 6.143}
{0 CHEMBL51534,6 2,9 134.94,11 1,13 5.807,14 2,16 20.05,17 -0.034,18 18.531,19 4.802,20 4.802,22 3.204,25 2,26 7.661,29 6.661,30 5.807,31 3.651,32 3.651,33 4.661,34 4.661,37 4.661,38 4.661,39 4.661,41 0.044,42 4.728,43 3.315,44 3.315,45 3.315,46 1,47 3.791,49 11.658,50 11.658,51 11.658,53 7.111,54 7.111,55 3,56 6,57 5.807,58 23.114,59 6,60 4,62 18.551,63 9.667,64 2.067,65 1,66 1.036,68 6.721}
{0 CHEMBL51575,6 3,8 1,9 134.94,11 1,13 5.807,14 1,16 20.201,17 0.069,18 18.673,19 4.847,20 4.847,22 3.436,24 1,26 7.713,29 6.693,30 44.956,31 3.704,32 3.704,33 4.693,34 4.693,37 4.713,38 4.713,39 4.713,41 0.043,42 4.736,43 3.381,44 3.381,45 3.381,46 2,47 3.908,49 12.189,50 12.189,51 12.189,53 7.242,54 7.242,56 6,57 44.956,58 23.283,59 6,60 6,62 19.613,63 11.627,64 2.057,65 1,66 1.387,68 6.444}
{0 CHEMBL51586,6 2,8 1,9 134.94,11 1,13 5.807,14 1,16 20.055,17 0.065,18 18.539,19 4.802,20 4.802,22 3.177,24 1,25 2,26 7.661,29 6.661,30 5.807,31 3.659,32 3.659,33 4.661,34 4.661,37 4.661,38 4.661,39 4.661,41 0.042,42 4.728,43 3.315,44 3.315,45 3.315,46 1,47 3.813,49 11.658,50 11.658,51 11.658,53 7.111,54 7.111,55 3,56 6,57 5.807,58 23.117,59 6,60 6,62 18.557,63 10.73,64 2.069,65 1,66 1.14,68 6.824}
{0 CHEMBL51668,6 4,9 166.18,11 2,13 11.615,14 1,16 20.729,17 -0.065,18 19.208,19 4.802,20 4.802,22 3.727,25 2,26 7.661,29 6.661,30 11.615,31 4.66,32 4.66,33 4.661,34 4.661,37 4.661,38 4.661,39 4.661,41 0.045,42 4.735,43 3.315,44 3.315,45 3.315,46 2,47 4.721,49 11.658,50 11.658,51 11.658,53 7.111,54 7.111,55 3,56 12,57 11.615,58 23.797,59 12,60 8,62 18.551,63 14.744,64 2.084,65 0.83,66 2.003,68 7.886}
{0 CHEMBL51719,6 2,8 1,9 155.17,11 1,13 5.807,14 1,16 20.082,17 -0.082,18 18.58,19 4.802,20 4.802,22 3.534,24 1,25 2,26 7.661,29 6.661,30 5.807,31 3.668,32 3.668,33 4.661,34 4.661,37 4.661,38 4.661,39 4.661,41 0.035,42 4.728,43 3.315,44 3.315,45 3.315,46 1,47 3.885,49 11.658,50 11.658,51 11.658,53 7.111,54 7.111,55 3,56 12,57 5.807,58 23.133,59 12,60 9,62 18.663,63 12.743,64 2.07,65 0.83,66 1.673,68 7.208}
{0 CHEMBL51725,6 3,8 1,9 134.94,11 1,13 5.807,14 1,16 20.199,17 0.022,18 18.67,19 4.847,20 4.847,22 3.4,24 1,26 7.713,29 6.693,30 44.956,31 3.702,32 3.702,33 4.693,34 4.693,37 4.713,38 4.713,39 4.713,41 0.045,42 4.736,43 3.381,44 3.381,45 3.381,46 2,47 3.906,49 12.189,50 12.189,51 12.189,53 7.242,54 7.242,56 6,57 44.956,58 23.282,59 6,60 4,62 19.612,63 10.696,64 2.055,65 1,66 1.27,68 6.323}
{0 CHEMBL51787,6 3,8 1,9 134.94,11 1,13 5.807,14 1,16 20.2,17 0.069,18 18.671,19 4.847,20 4.847,22 3.46,24 1,26 7.713,29 6.693,30 44.956,31 3.703,32 3.703,33 4.693,34 4.693,37 4.713,38 4.713,39 4.713,41 0.037,42 4.736,43 3.381,44 3.381,45 3.381,46 2,47 3.908,49 12.189,50 12.189,51 12.189,53 7.242,54 7.242,56 6,57 44.956,58 23.282,59 6,60 7,62 19.613,63 12.109,64 2.058,65 1,66 1.619,68 6.481}
{0 CHEMBL52227,4 1,5 2.398,6 2,7 1,8 3,9 192.72,11 1,13 5.807,14 2,15 95.137,16 20.077,17 -0.052,18 18.569,19 4.802,20 4.802,22 3.61,24 2,25 2,26 7.661,28 3.969,29 6.661,30 5.807,31 3.66,32 3.66,33 4.661,34 4.661,37 4.661,38 4.661,39 4.661,41 0.031,42 4.728,43 3.315,44 3.315,45 3.315,46 1,47 3.886,49 11.658,50 11.658,51 11.658,53 7.111,54 7.111,55 4,56 11,57 22.593,58 23.13,59 11,60 4,61 6.26,62 18.557,63 13.673,64 2.068,65 0.5,66 1.619,67 4.443,68 7.721}
{0 CHEMBL52375,6 3,8 2,9 164.04,11 1,13 5.807,14 1,16 20.218,17 0.008,18 18.704,19 4.847,20 4.847,22 3.679,24 2,26 7.713,29 6.693,30 44.956,31 3.703,32 3.703,33 4.693,34 4.693,37 4.713,38 4.713,39 4.713,41 0.034,42 4.736,43 3.381,44 3.381,45 3.381,46 2,47 3.913,49 12.189,50 12.189,51 12.189,53 7.242,54 7.242,56 12,57 44.956,58 23.292,59 12,60 7,62 19.613,63 15.409,64 2.057,65 0.83,66 2.202,68 7.143}
{0 CHEMBL52542,6 3,8 1,9 155.17,11 1,13 5.807,14 1,16 20.228,17 -0.031,18 18.715,19 4.847,20 4.847,22 3.608,24 1,26 7.713,29 6.693,30 44.956,31 3.704,32 3.704,33 4.693,34 4.693,37 4.713,38 4.713,39 4.713,41 0.035,42 4.736,43 3.381,44 3.381,45 3.381,46 2,47 3.918,49 12.189,50 12.189,51 12.189,53 7.242,54 7.242,56 12,57 44.956,58 23.3,59 12,60 8,62 19.613,63 13.841,64 2.06,65 0.83,66 1.987,68 6.488}
{0 CHEMBL52550,4 1,5 2.398,6 3,7 1,8 3,9 192.72,11 1,13 5.807,14 2,15 123.223,16 20.237,17 -0.038,18 18.73,19 4.847,20 4.847,22 3.835,24 2,26 7.713,28 4.042,29 6.693,30 44.956,31 3.704,32 3.704,33 4.693,34 4.693,37 4.713,38 4.713,39 4.713,41 0.028,42 4.736,43 3.381,44 3.381,45 3.381,46 2,47 3.928,49 12.189,50 12.189,51 12.189,53 7.242,54 7.242,55 1,56 17,57 61.742,58 23.303,59 17,60 7,61 6.26,62 19.613,63 17.578,64 2.057,65 0.33,66 2.596,67 4.443,68 7.347}
{0 CHEMBL53135,6 2,8 1,9 155.17,11 1,13 5.807,14 1,16 20.054,17 -0.075,18 18.536,19 4.802,20 4.802,22 3.114,24 1,25 2,26 7.661,29 6.661,30 5.807,31 3.658,32 3.658,33 4.661,34 4.661,37 4.661,38 4.661,39 4.661,41 0.041,42 4.728,43 3.315,44 3.315,45 3.315,46 1,47 3.803,49 11.658,50 11.658,51 11.658,53 7.111,54 7.111,55 3,56 6,57 5.807,58 23.116,59 6,60 4,62 18.556,63 9.99,64 2.067,65 0.83,66 1.041,68 6.488}
{0 CHEMBL53407,1 1,2 2,3 1,4 1,5 2.398,6 3,7 2,8 1,9 190.46,11 3,12 1,13 75.649,14 3,15 60.574,16 20.239,17 0.04,18 18.721,19 4.847,20 4.847,22 3.507,23 1,24 1,26 7.713,28 7.276,29 6.693,30 114.797,31 3.769,32 3.769,33 4.693,34 4.693,36 1.065,37 4.713,38 4.713,39 4.713,41 0.042,42 4.736,43 3.381,44 3.381,45 3.381,46 4,47 4.279,49 12.189,50 12.189,51 12.189,52 69.841,53 7.242,54 7.242,56 11,57 78.282,58 23.308,59 11,60 4,61 6.529,62 19.612,63 12.525,64 2.052,65 0.83,66 1.705,67 4.595,68 7.678}
{0 CHEMBL53607,6 5,9 166.18,11 2,13 11.615,14 1,16 20.806,17 -0.053,18 19.279,19 4.847,20 4.847,22 3.756,26 7.713,29 6.693,30 50.764,31 4.66,32 4.66,33 4.693,34 4.693,37 4.713,38 4.713,39 4.713,41 0.047,42 4.74,43 3.381,44 3.381,45 3.381,46 3,47 4.724,49 12.189,50 12.189,51 12.189,53 7.242,54 7.242,56 12,57 50.764,58 23.885,59 12,60 8,62 19.611,63 15.641,64 2.082,65 0.83,66 2.249,68 7.201}
{0 CHEMBL53972,6 2,8 1,9 134.94,11 1,13 5.807,14 1,16 20.07,17 -0.058,18 18.567,19 4.802,20 4.802,22 3.524,24 1,25 2,26 7.661,29 6.661,30 5.807,31 3.659,32 3.659,33 4.661,34 4.661,37 4.661,38 4.661,39 4.661,41 0.033,42 4.728,43 3.315,44 3.315,45 3.315,46 1,47 3.873,49 11.658,50 11.658,51 11.658,53 7.111,54 7.111,55 3,56 12,57 5.807,58 23.126,59 12,60 7,62 18.556,63 12.322,64 2.071,65 1,66 1.691,68 6.886}
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{0 CHEMBL541990,1 1,2 1,3 1,4 1,5 2.398,7 1,8 1,9 145.01,11 2,13 37.085,14 2,15 40.138,16 20.535,17 0.214,18 19.003,19 4.883,20 4.883,22 3.421,23 2,24 2,26 7.779,27 1,28 3.923,29 6.693,30 37.085,31 4.257,32 4.257,33 4.693,34 4.693,35 1,36 0.884,37 4.779,38 4.779,39 4.779,40 2,41 0.026,42 4.79,43 3.419,44 3.419,45 3.419,46 2,47 4.157,48 77.911,49 12.57,50 12.57,51 12.57,52 31.278,53 7.32,54 7.32,55 2,56 11,57 22.593,58 23.626,59 9,60 1,61 6.862,62 20.108,63 10.671,64 1.971,65 0.83,66 2.642,67 4.727,68 7.523}
{0 CHEMBL54235,6 4,9 166.18,11 2,13 11.615,14 1,16 20.731,17 -0.104,18 19.209,19 4.802,20 4.802,22 3.667,25 2,26 7.661,29 6.661,30 11.615,31 4.66,32 4.66,33 4.661,34 4.661,37 4.661,38 4.661,39 4.661,41 0.047,42 4.735,43 3.316,44 3.316,45 3.316,46 2,47 4.721,49 11.658,50 11.658,51 11.658,53 7.111,54 7.111,55 3,56 12,57 11.615,58 23.799,59 12,60 6,62 18.559,63 14.049,64 2.083,65 0.83,66 1.756,68 7.602}
{0 CHEMBL55110,8 2,9 140.91,11 1,12 2,13 5.807,14 3,16 20.566,17 0.189,18 19.033,19 5.278,20 5.278,22 3.539,24 2,25 2,26 7.809,29 7.441,30 5.807,31 3.956,32 3.956,33 5.441,34 5.441,37 4.809,38 4.809,39 4.809,41 0.037,42 4.751,43 4.175,44 4.175,45 4.175,46 1,47 3.945,49 18.849,50 18.849,51 18.849,53 9.162,54 9.162,56 6,57 11.477,58 23.659,59 6,62 29.876,63 11.122,64 2.079,65 0.67,66 2.227,68 6.866}
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{0 CHEMBL6648,6 3,9 68.54,11 1,13 5.807,16 20.539,17 -0.09,18 18.998,19 4.879,20 4.879,22 2.839,26 7.81,29 6.683,30 5.807,31 4.113,32 4.113,33 4.683,34 4.683,37 4.81,38 4.81,39 4.81,40 2,41 0.031,42 4.734,43 3.403,44 3.403,45 3.403,46 1,47 3.939,49 12.427,50 12.427,51 12.427,53 7.283,54 7.283,56 12,57 5.807,58 23.651,59 10,60 3,62 20.147,63 7.98,64 2.166,65 1,66 1.474,68 6.359}
{0 CHEMBL6685,1 1,2 1,3 1,4 1,5 2.398,7 1,9 129.9,11 2,13 37.085,14 2,15 25.242,16 20.455,17 0.094,18 18.929,19 4.837,20 4.837,21 1,22 2.901,24 1,26 7.748,27 1,28 3.82,29 6.665,30 37.085,31 4.238,32 4.238,33 4.665,34 4.665,35 1,36 0.934,37 4.748,38 4.748,39 4.748,40 2,41 0.033,42 4.784,43 3.355,44 3.355,45 3.355,46 2,47 4.153,48 48.492,49 11.786,50 11.786,51 11.786,52 31.278,53 7.132,54 7.132,55 2,56 11,57 22.593,58 23.532,59 9,60 1,61 6.862,62 19.001,63 9.037,64 1.97,65 1,66 2.021,67 4.727,68 1.23}
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{0 CHEMBL6753,1 1,4 1,5 2.398,9 138.45,10 1,11 2,12 1,13 38.027,14 2,15 29.867,16 19.934,17 0.248,18 18.406,19 4.815,20 4.815,21 1,22 2.621,23 2,24 2,26 7.145,29 6.598,30 38.027,31 3.207,32 3.207,33 5.229,34 5.229,37 4.631,38 4.631,39 4.631,42 4.748,43 3.345,44 3.345,45 3.345,46 2,47 3.864,49 11.752,50 11.752,51 11.752,52 32.22,53 7.128,54 7.128,56 5,57 5.807,58 22.996,59 5,61 6.804,62 18.963,63 7.613,64 1.876,65 1,66 1.283,67 4.727,68 2.55}
{0 CHEMBL67755,9 94.56,11 1,13 119.371,16 20.16,17 -0.038,18 18.641,19 4.819,20 4.819,22 3.558,26 7.683,29 6.664,30 5.807,31 3.906,32 3.906,33 4.664,34 4.664,37 4.683,38 4.683,39 4.683,41 0.035,42 10.699,43 3.342,44 3.342,45 3.342,46 3,47 10.692,49 11.745,50 11.745,51 11.745,52 113.564,53 7.127,54 7.127,56 6,57 5.807,58 23.223,59 6,62 18.783,63 9.96,64 2.032,65 1,66 2.254,68 6.553}
{0 CHEMBL6784,6 2,9 88.77,11 1,13 5.807,16 20.023,17 -0.066,18 18.499,19 4.801,20 4.801,22 2.687,26 7.66,29 6.661,30 5.807,31 3.428,32 3.428,33 4.661,34 4.661,37 4.66,38 4.66,39 4.66,41 0.063,42 4.728,43 3.313,44 3.313,45 3.313,46 1,47 3.752,49 11.657,50 11.657,51 11.657,53 7.111,54 7.111,56 6,57 5.807,58 23.095,59 6,60 4,62 18.532,63 7.259,64 2.076,65 1,66 0.939,68 2.65}
{0 CHEMBL68506,1 1,2 2,3 1,4 1,5 2.398,7 2,8 2,9 203.13,10 1,11 3,12 1,13 156.457,14 2,15 68.029,16 20.865,17 -0.038,18 19.334,19 4.876,20 4.876,21 1,22 4.715,23 4,24 2,25 4,26 7.733,28 6.767,29 6.691,30 42.893,31 4.665,32 4.665,33 4.691,34 4.691,36 0.519,37 4.733,38 4.733,39 4.733,41 0.027,42 10.699,43 3.419,44 3.419,45 3.419,46 5,47 10.692,49 12.563,50 12.563,51 12.563,52 144.842,53 7.318,54 7.318,55 2,56 11,57 61.346,58 23.945,59 11,61 6.605,62 20.025,63 16.533,64 2.033,65 0.67,66 4.049,67 4.595,68 8.638}
{0 CHEMBL6852,6 2,9 94.56,11 1,13 5.807,16 20.032,17 -0.045,18 18.506,19 4.804,20 4.804,22 2.54,26 7.665,29 6.662,30 5.807,31 3.382,32 3.382,33 4.662,34 4.662,37 4.665,38 4.665,39 4.665,41 0.031,42 4.728,43 3.318,44 3.318,45 3.318,46 1,47 3.711,49 11.685,50 11.685,51 11.685,53 7.115,54 7.115,56 6,57 5.807,58 23.106,59 6,60 2,62 18.64,63 6.722,64 2.062,65 1,66 0.789,68 3.34}
{0 CHEMBL6853,6 1,9 94.56,11 1,13 5.807,16 20.081,17 -0.05,18 18.561,19 4.808,20 4.808,22 2.762,26 7.67,29 6.662,30 5.807,31 3.707,32 3.707,33 4.662,34 4.662,37 4.67,38 4.67,39 4.67,41 0.051,42 4.728,43 3.325,44 3.325,45 3.325,46 1,47 3.755,49 11.695,50 11.695,51 11.695,53 7.118,54 7.118,56 6,57 5.807,58 23.148,59 6,60 1,62 18.682,63 6.71,64 2.056,65 1,66 0.801,68 2.26}
{0 CHEMBL68605,9 94.56,11 1,13 62.589,16 20.16,17 -0.03,18 18.641,19 4.819,20 4.819,22 3.147,26 7.683,29 6.664,30 44.956,31 3.906,32 3.906,33 4.664,34 4.664,37 4.683,38 4.683,39 4.683,41 0.035,42 10.695,43 3.342,44 3.342,45 3.342,46 3,47 4.728,49 11.745,50 11.745,51 11.745,52 56.782,53 7.127,54 7.127,56 6,57 44.956,58 23.223,59 6,62 18.783,63 9.218,64 2.036,65 1,66 1.799,68 6.699}
{0 CHEMBL68639,1 1,2 2,3 1,4 1,5 2.398,7 2,8 2,9 203.13,10 1,11 3,12 1,13 42.893,14 2,15 64.658,16 20.827,17 0.048,18 19.294,19 4.869,20 4.869,21 1,22 3.751,23 4,24 2,25 4,26 7.724,28 6.565,29 6.689,30 42.893,31 4.663,32 4.663,33 4.689,34 4.689,36 0.425,37 4.724,38 4.724,39 4.724,41 0.031,42 4.796,43 3.409,44 3.409,45 3.409,46 3,47 4.717,49 12.534,50 12.534,51 12.534,52 31.278,53 7.313,54 7.313,55 2,56 11,57 61.346,58 23.909,59 11,60 1,61 6.605,62 19.957,63 13.283,64 2.056,65 0.83,66 2.665,67 4.595,68 8.602}
{0 CHEMBL687,6 2,9 97.64,11 1,13 5.807,14 1,16 20.026,17 0.027,18 18.503,19 4.801,20 4.801,22 2.687,26 7.66,29 6.661,30 5.807,31 3.456,32 3.456,33 4.661,34 4.661,37 4.66,38 4.66,39 4.66,41 0.052,42 4.728,43 3.313,44 3.313,45 3.313,46 1,47 3.755,49 11.657,50 11.657,51 11.657,53 7.111,54 7.111,56 6,57 5.807,58 23.097,59 6,60 2,62 18.535,63 8.1,64 2.065,65 1,66 0.878,68 5.545}
{0 CHEMBL69149,1 1,4 1,5 2.398,8 3,9 144.03,10 1,11 2,12 1,13 38.027,14 5,15 72.81,16 20.395,17 0.168,18 18.894,19 4.817,20 4.817,21 1,22 3.271,23 3,24 1,25 2,26 7.632,29 7.232,30 38.027,31 4.432,32 4.432,33 5.232,34 5.232,37 4.632,38 4.632,39 4.632,41 0.024,42 4.748,43 3.353,44 3.353,45 3.353,46 2,47 4.003,49 11.772,50 11.772,51 11.772,52 32.22,53 7.13,54 7.13,55 1,56 11,57 5.807,58 23.422,59 11,61 6.823,62 19.772,63 10.947,64 1.95,65 0.83,66 2.038,67 4.727,68 8.097}
{0 CHEMBL6919,6 2,9 88.77,11 1,13 5.807,16 20.023,17 -0.091,18 18.499,19 4.801,20 4.801,22 2.687,26 7.66,29 6.661,30 5.807,31 3.424,32 3.424,33 4.661,34 4.661,37 4.66,38 4.66,39 4.66,41 0.083,42 4.728,43 3.313,44 3.313,45 3.313,46 1,47 3.738,49 11.657,50 11.657,51 11.657,53 7.111,54 7.111,55 2,56 6,57 5.807,58 23.095,59 6,60 4,62 18.531,63 6.879,64 2.068,65 1,66 0.834,68 2.75}
{0 CHEMBL69229,1 1,2 2,3 1,4 1,5 2.398,7 2,8 2,9 203.13,10 1,11 3,12 1,13 42.893,14 2,15 68.029,16 20.865,17 -0.044,18 19.334,19 4.876,20 4.876,21 1,22 4.713,23 4,24 2,25 4,26 7.733,28 6.731,29 6.691,30 42.893,31 4.665,32 4.665,33 4.691,34 4.691,36 0.499,37 4.733,38 4.733,39 4.733,41 0.027,42 6.893,43 3.419,44 3.419,45 3.419,46 5,47 6.867,49 12.563,50 12.563,51 12.563,52 123.186,53 7.318,54 7.318,55 2,56 11,57 61.346,58 23.945,59 11,61 6.605,62 20.025,63 15.791,64 2.037,65 0.83,66 3.694,67 4.595,68 8.77}
{0 CHEMBL69347,6 1,9 97.64,11 1,13 5.807,14 1,16 20.091,17 0.008,18 18.572,19 4.809,20 4.809,22 3.361,26 7.671,29 6.662,30 5.807,31 3.75,32 3.75,33 4.662,34 4.662,37 4.671,38 4.671,39 4.671,41 0.034,42 6.88,43 3.327,44 3.327,45 3.327,46 2,47 4.725,49 11.698,50 11.698,51 11.698,52 45.954,53 7.118,54 7.118,56 6,57 5.807,58 23.155,59 6,60 1,62 18.71,63 9.372,64 2.053,65 1,66 1.633,68 7.237}
{0 CHEMBL6946,6 2,9 149.11,11 2,13 11.615,16 20.839,17 -0.045,18 19.302,19 4.893,20 4.893,22 3.664,26 7.748,29 6.707,30 11.615,31 4.659,32 4.659,33 4.707,34 4.707,37 4.748,38 4.748,39 4.748,41 0.048,42 4.766,43 3.443,44 3.443,45 3.443,46 2,47 4.696,49 12.632,50 12.632,51 12.632,53 7.336,54 7.336,56 12,57 28.02,58 23.933,59 12,60 5,62 20.328,63 12.835,64 2.106,65 0.83,66 2.54,68 6.842}
{0 CHEMBL69813,9 94.56,11 1,13 62.589,16 20.16,17 -0.026,18 18.641,19 4.819,20 4.819,22 2.773,26 7.683,29 6.664,30 5.807,31 3.906,32 3.906,33 4.664,34 4.664,37 4.683,38 4.683,39 4.683,41 0.035,42 10.695,43 3.342,44 3.342,45 3.342,46 2,47 4.727,49 11.745,50 11.745,51 11.745,52 56.782,53 7.127,54 7.127,56 6,57 5.807,58 23.223,59 6,62 18.783,63 8.33,64 2.041,65 1,66 1.554,68 6.903}
{0 CHEMBL70020,9 94.56,11 1,13 5.807,16 20.16,17 -0.058,18 18.641,19 4.819,20 4.819,22 2.895,26 7.683,29 6.665,30 84.105,31 3.906,32 3.906,33 4.665,34 4.665,37 4.683,38 4.683,39 4.683,41 0.035,42 4.732,43 3.342,44 3.342,45 3.342,46 3,47 4.031,49 11.745,50 11.745,51 11.745,53 7.127,54 7.127,56 6,57 84.105,58 23.223,59 6,62 18.783,63 8.477,64 2.04,65 1,66 1.345,68 6.783}
{0 CHEMBL70524,1 1,2 2,3 1,4 1,5 2.398,7 2,8 2,9 203.13,10 1,11 3,12 1,13 42.893,14 2,15 64.658,16 20.827,17 -0.016,18 19.294,19 4.869,20 4.869,21 1,22 3.979,23 4,24 2,25 4,26 7.724,28 6.712,29 6.689,30 42.893,31 4.663,32 4.663,33 4.689,34 4.689,36 0.507,37 4.724,38 4.724,39 4.724,41 0.031,42 6.88,43 3.409,44 3.409,45 3.409,46 4,47 4.795,49 12.534,50 12.534,51 12.534,52 77.232,53 7.313,54 7.313,55 2,56 11,57 61.346,58 23.909,59 11,60 1,61 6.605,62 19.957,63 14.532,64 2.049,65 0.83,66 3.177,67 4.595,68 8.62}
{0 CHEMBL7087,6 4,9 94.56,11 1,13 5.807,16 20.023,17 -0.026,18 18.499,19 4.801,20 4.801,22 2.687,26 7.66,29 6.661,30 5.807,31 3.428,32 3.428,33 4.661,34 4.661,37 4.66,38 4.66,39 4.66,41 0.063,42 4.728,43 3.313,44 3.313,45 3.313,46 1,47 3.754,49 11.657,50 11.657,51 11.657,53 7.111,54 7.111,56 6,57 5.807,58 23.095,59 6,60 4,62 18.532,63 7.259,64 2.078,65 1,66 0.961,68 3.39}
{0 CHEMBL70873,9 94.56,11 1,13 5.807,16 20.16,17 -0.057,18 18.641,19 4.819,20 4.819,22 2.769,26 7.683,29 6.665,30 44.956,31 3.906,32 3.906,33 4.665,34 4.665,37 4.683,38 4.683,39 4.683,41 0.035,42 4.73,43 3.342,44 3.342,45 3.342,46 2,47 3.951,49 11.745,50 11.745,51 11.745,53 7.127,54 7.127,56 6,57 44.956,58 23.223,59 6,62 18.783,63 7.588,64 2.045,65 1,66 1.1,68 7.022}
{0 CHEMBL7092,6 1,9 94.56,11 1,13 5.807,16 20.081,17 -0.042,18 18.561,19 4.808,20 4.808,22 2.763,26 7.67,29 6.663,30 44.956,31 3.707,32 3.707,33 4.663,34 4.663,37 4.67,38 4.67,39 4.67,41 0.051,42 4.73,43 3.325,44 3.325,45 3.325,46 2,47 3.934,49 11.695,50 11.695,51 11.695,53 7.118,54 7.118,56 6,57 44.956,58 23.148,59 6,60 1,62 18.682,63 7.588,64 2.051,65 1,66 1.055,68 2.51}
{0 CHEMBL71000,4 1,5 2.398,6 2,9 138.88,11 2,13 11.615,15 53.362,16 21.084,17 -0.076,18 19.553,19 4.879,20 4.879,22 3.554,25 4,26 7.75,29 6.698,30 50.764,31 4.639,32 4.639,33 4.698,34 4.698,35 1,37 4.75,38 4.75,39 4.75,40 2,41 0.044,42 4.765,43 3.42,44 3.42,45 3.42,46 3,47 4.696,48 101.416,49 12.559,50 12.559,51 12.559,53 7.316,54 7.316,55 4,56 17,57 67.169,58 24.164,59 15,60 7,61 6.823,62 20.055,63 14.749,64 2.113,65 1,66 2.868,67 4.727,68 7.187}
{0 CHEMBL7146,6 2,9 149.11,11 2,13 11.615,16 20.766,17 -0.016,18 19.237,19 4.844,20 4.844,22 3.715,26 7.697,29 6.683,30 11.615,31 4.66,32 4.66,33 4.683,34 4.683,37 4.697,38 4.697,39 4.697,41 0.047,42 4.74,43 3.374,44 3.374,45 3.374,46 2,47 4.722,49 12.404,50 12.404,51 12.404,53 7.293,54 7.293,56 12,57 11.615,58 23.847,59 12,60 6,62 19.555,63 13.632,64 2.094,65 0.83,66 2.374,68 7.143}
{0 CHEMBL71611,1 1,2 2,3 1,4 1,5 2.398,7 2,8 2,9 203.13,10 1,11 3,12 1,13 42.893,14 2,15 68.029,16 20.865,17 -0.002,18 19.334,19 4.876,20 4.876,21 1,22 3.934,23 4,24 2,25 4,26 7.733,28 6.546,29 6.691,30 82.041,31 4.665,32 4.665,33 4.691,34 4.691,36 0.396,37 4.733,38 4.733,39 4.733,41 0.027,42 4.796,43 3.419,44 3.419,45 3.419,46 4,47 4.718,49 12.563,50 12.563,51 12.563,52 31.278,53 7.318,54 7.318,55 2,56 11,57 100.495,58 23.945,59 11,61 6.605,62 20.025,63 14.162,64 2.045,65 0.83,66 2.944,67 4.595,68 8.699}
{0 CHEMBL71657,1 1,2 2,3 1,4 1,5 2.398,7 2,8 2,9 203.13,10 1,11 3,12 1,13 99.675,14 2,15 68.029,16 20.865,17 -0.039,18 19.334,19 4.876,20 4.876,21 1,22 4.714,23 4,24 2,25 4,26 7.733,28 6.749,29 6.691,30 42.893,31 4.665,32 4.665,33 4.691,34 4.691,36 0.509,37 4.733,38 4.733,39 4.733,41 0.027,42 10.695,43 3.419,44 3.419,45 3.419,46 5,47 6.88,49 12.563,50 12.563,51 12.563,52 134.014,53 7.318,54 7.318,55 2,56 11,57 61.346,58 23.945,59 11,61 6.605,62 20.025,63 16.162,64 2.035,65 0.67,66 3.871,67 4.595,68 8.638}
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{0 CHEMBL75595,1 1,2 2,3 1,4 1,5 2.398,6 1,7 2,8 2,9 180.99,10 1,11 3,12 1,13 42.893,14 2,15 97.041,16 20.923,17 0.238,18 19.403,19 4.865,20 4.865,21 1,22 3.974,23 4,24 2,25 4,26 7.719,28 6.912,29 6.687,30 42.893,31 4.662,32 4.662,33 4.687,34 4.687,36 0.54,37 4.719,38 4.719,39 4.719,41 0.029,42 4.796,43 3.405,44 3.405,45 3.405,46 3,47 4.717,49 12.512,50 12.512,51 12.512,52 31.278,53 7.309,54 7.309,55 2,56 17,57 63.245,58 23.988,59 17,60 2,61 6.605,62 19.893,63 17.977,64 2.143,65 0.83,66 4.08,67 4.595,68 8.523}
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{0 CHEMBL75812,1 1,2 2,3 1,4 1,5 2.398,6 1,7 2,8 2,9 180.99,10 1,11 3,12 1,13 42.893,14 2,15 116.652,16 20.948,17 0.166,18 19.435,19 4.865,20 4.865,21 1,22 3.978,23 4,24 2,25 4,26 7.719,28 6.963,29 6.687,30 42.893,31 4.662,32 4.662,33 4.687,34 4.687,36 0.541,37 4.719,38 4.719,39 4.719,41 0.028,42 4.796,43 3.405,44 3.405,45 3.405,46 3,47 4.717,49 12.512,50 12.512,51 12.512,52 31.278,53 7.309,54 7.309,55 2,56 23,57 63.245,58 24.009,59 23,60 2,61 6.605,62 19.89,63 19.482,64 2.15,65 0.67,66 4.632,67 4.595,68 8.638}
{0 CHEMBL75855,1 1,2 2,3 1,4 1,5 2.398,7 2,8 1,9 151.66,10 1,11 2,12 1,13 37.085,14 3,15 65.255,16 20.36,17 0.038,18 18.855,19 4.811,20 4.811,21 1,22 3.263,23 3,24 2,25 2,26 7.673,28 6.317,29 6.663,30 37.085,31 4.309,32 4.309,33 4.663,34 4.663,36 0.283,37 4.673,38 4.673,39 4.673,41 0.026,42 4.776,43 3.329,44 3.329,45 3.329,46 2,47 4.04,49 11.7,50 11.7,51 11.7,52 31.278,53 7.118,54 7.118,55 1,56 11,57 39.133,58 23.397,59 11,61 6.605,62 19.171,63 10.444,64 1.962,65 0.83,66 1.611,67 4.595,68 7.62}
{0 CHEMBL76078,1 1,2 2,3 1,4 1,5 2.398,6 3,7 2,8 2,9 180.99,10 1,11 3,12 1,13 42.893,14 2,15 123.533,16 20.949,17 0.164,18 19.436,19 4.865,20 4.865,21 1,22 3.978,23 4,24 2,25 4,26 7.719,28 6.998,29 6.687,30 42.893,31 4.662,32 4.662,33 4.687,34 4.687,36 0.546,37 4.719,38 4.719,39 4.719,41 0.026,42 4.796,43 3.405,44 3.405,45 3.405,46 3,47 4.717,49 12.512,50 12.512,51 12.512,52 31.278,53 7.309,54 7.309,55 2,56 23,57 63.245,58 24.009,59 23,60 2,61 6.605,62 19.891,63 20.242,64 2.153,65 0.67,66 4.836,67 4.595,68 8.092}
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{0 CHEMBL77483,1 1,2 2,3 1,4 1,5 2.398,6 4,7 2,8 2,9 180.99,10 1,11 3,12 1,13 42.893,14 2,15 135.368,16 20.986,17 0.12,18 19.478,19 4.865,20 4.865,21 1,22 3.979,23 4,24 2,25 4,26 7.719,28 7.038,29 6.687,30 42.893,31 4.662,32 4.662,33 4.687,34 4.687,36 0.54,37 4.719,38 4.719,39 4.719,41 0.025,42 4.796,43 3.405,44 3.405,45 3.405,46 3,47 4.717,49 12.513,50 12.513,51 12.513,52 31.278,53 7.309,54 7.309,55 2,56 29,57 63.245,58 24.043,59 29,60 2,61 6.605,62 19.9,63 22.109,64 2.158,65 0.67,66 5.226,67 4.595,68 8.076}
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{0 CHEMBL77986,1 1,2 2,3 1,4 1,5 2.398,6 1,7 2,8 2,9 180.99,10 1,11 3,12 1,13 42.893,14 2,15 113.763,16 21.001,17 0.199,18 19.487,19 4.865,20 4.865,21 1,22 3.978,23 4,24 2,25 4,26 7.719,28 6.94,29 6.687,30 42.893,31 4.662,32 4.662,33 4.687,34 4.687,36 0.537,37 4.719,38 4.719,39 4.719,41 0.03,42 4.796,43 3.405,44 3.405,45 3.405,46 3,47 4.717,49 12.512,50 12.512,51 12.512,52 31.278,53 7.309,54 7.309,55 2,56 23,57 63.245,58 24.061,59 23,60 2,61 6.605,62 20.158,63 19.509,64 2.15,65 0.67,66 4.401,67 4.595,68 8.284}
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{0 CHEMBL85079,1 1,2 2,3 1,4 1,5 2.398,7 3,8 2,9 201.85,10 1,11 2,12 1,13 37.085,14 4,15 63.611,16 20.151,17 0.12,18 18.645,19 4.811,20 4.811,21 1,22 3.348,23 3,24 4,25 2,26 7.673,28 10.371,29 6.663,30 37.085,31 3.882,32 3.882,33 4.663,34 4.663,36 0.562,37 4.673,38 4.673,39 4.673,41 0.031,42 4.776,43 3.328,44 3.328,45 3.328,46 2,47 4.03,49 11.699,50 11.699,51 11.699,52 31.278,53 7.118,54 7.118,55 1,56 11,57 55.919,58 23.2,59 11,60 2,61 6.605,62 18.729,63 11.977,64 1.975,65 0.83,66 1.602,67 4.595,68 7.678}
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{0 CHEMBL98120,6 2,9 109.67,11 1,13 5.807,16 20.397,17 -0.053,18 18.896,19 4.801,20 4.801,22 3.433,26 7.66,29 6.661,30 5.807,31 4.385,32 4.385,33 4.661,34 4.661,37 4.66,38 4.66,39 4.66,41 0.034,42 4.728,43 3.313,44 3.313,45 3.313,46 1,47 3.974,49 11.657,50 11.657,51 11.657,53 7.111,54 7.111,55 2,56 12,57 5.807,58 23.432,59 12,60 5,62 19.657,63 10.893,64 2.074,65 1,66 1.515,68 7.301}
{0 CHEMBL98146,1 1,2 2,3 1,4 1,5 2.398,7 2,8 3,9 206.65,10 1,11 3,12 1,13 42.893,14 5,15 96.57,16 20.812,17 0.193,18 19.28,19 4.864,20 4.864,21 1,22 3.787,23 4,24 2,25 8,26 7.718,28 6.751,29 6.687,30 42.893,31 4.661,32 4.661,33 4.687,34 4.687,36 0.477,37 4.718,38 4.718,39 4.718,41 0.034,42 4.796,43 3.403,44 3.403,45 3.403,46 3,47 4.717,49 12.512,50 12.512,51 12.512,52 31.278,53 7.309,54 7.309,55 4,56 11,57 61.346,58 23.893,59 11,60 2,61 6.605,62 19.878,63 16.886,64 2.064,65 0.67,66 2.927,67 4.595,68 8}
{0 CHEMBL98328,9 74.78,11 1,13 5.807,16 19.321,17 -0.27,18 17.835,19 4.617,20 4.617,22 1.331,24 2,26 6.421,29 5.55,30 5.807,31 0.452,32 0.452,33 4.392,34 4.392,37 4.421,38 4.421,39 4.421,42 4.711,43 3.086,44 3.086,45 3.086,46 1,47 2.66,49 9.823,50 9.823,51 9.823,53 6.372,54 6.372,57 5.807,58 22.294,62 14.204,63 4.371,64 1.93,65 1,68 7.252}
{0 CHEMBL98389,1 1,2 2,3 1,4 1,5 2.398,7 2,8 3,9 206.65,10 1,11 3,12 1,13 42.893,14 4,15 92.153,16 20.811,17 0.162,18 19.28,19 4.864,20 4.864,21 1,22 3.779,23 4,24 2,25 8,26 7.718,28 6.735,29 6.687,30 42.893,31 4.661,32 4.661,33 4.687,34 4.687,36 0.477,37 4.718,38 4.718,39 4.718,41 0.032,42 4.796,43 3.403,44 3.403,45 3.403,46 3,47 4.717,49 12.512,50 12.512,51 12.512,52 31.278,53 7.309,54 7.309,55 4,56 11,57 61.346,58 23.893,59 11,60 2,61 6.605,62 19.878,63 16.24,64 2.063,65 0.67,66 2.903,67 4.595,68 8}
{0 CHEMBL98673,6 2,9 156.07,11 2,13 11.615,16 20.917,17 0.08,18 19.409,19 4.861,20 4.861,21 1,22 3.776,25 4,26 7.713,29 6.687,30 11.615,31 4.657,32 4.657,33 4.687,34 4.687,37 4.713,38 4.713,39 4.713,41 0.037,42 4.753,43 3.399,44 3.399,45 3.399,46 2,47 4.711,49 12.51,50 12.51,51 12.51,53 7.308,54 7.308,55 2,56 24,57 29.919,58 23.976,59 24,60 4,62 19.876,63 22.379,64 2.138,65 0.67,66 4.599,68 7.143}
{0 CHEMBL98871,1 1,4 1,5 2.398,8 4,9 206.78,10 1,11 3,12 1,13 43.834,14 4,15 73.223,16 20.833,17 0.162,18 19.296,19 4.89,20 4.89,21 1,22 3.747,23 4,24 1,25 7,26 7.761,29 7.233,30 43.834,31 4.628,32 4.628,33 5.233,34 5.233,37 4.761,38 4.761,39 4.761,41 0.034,42 4.774,43 3.418,44 3.418,45 3.418,46 3,47 4.713,49 12.534,50 12.534,51 12.534,52 32.22,53 7.313,54 7.313,55 5,56 11,57 11.615,58 23.922,59 11,60 2,61 6.823,62 19.944,63 14.685,64 2.057,65 0.83,66 3.127,67 4.727,68 7.854}
{0 CHEMBL98877,1 1,2 2,3 1,4 1,5 2.398,7 2,8 2,9 223.64,10 1,11 3,12 1,13 42.893,14 4,15 83.169,16 20.811,17 0.062,18 19.28,19 4.864,20 4.864,21 1,22 3.776,23 4,24 3,25 8,26 7.718,28 6.672,29 6.687,30 42.893,31 4.661,32 4.661,33 4.687,34 4.687,36 0.455,37 4.718,38 4.718,39 4.718,41 0.031,42 4.796,43 3.403,44 3.403,45 3.403,46 3,47 4.717,49 12.512,50 12.512,51 12.512,52 31.278,53 7.309,54 7.309,55 4,56 11,57 61.346,58 23.893,59 11,60 2,61 6.605,62 19.878,63 15.058,64 2.063,65 0.67,66 2.811,67 4.595,68 7.959}
{0 CHEMBL99257,1 1,2 2,3 1,4 1,5 2.398,7 2,8 3,9 215.88,10 1,11 3,12 1,13 42.893,14 4,15 98.533,16 20.818,17 0.143,18 19.286,19 4.868,20 4.868,21 1,22 3.772,23 4,24 2,25 4,26 7.722,28 6.753,29 6.688,30 42.893,31 4.663,32 4.663,33 4.688,34 4.688,36 0.457,37 4.722,38 4.722,39 4.722,41 0.029,42 4.796,43 3.408,44 3.408,45 3.408,46 3,47 4.717,49 12.536,50 12.536,51 12.536,52 31.278,53 7.313,54 7.313,55 2,56 11,57 61.346,58 23.901,59 11,60 2,61 6.605,62 19.972,63 17.313,64 2.063,65 0.5,66 3.156,67 4.595,68 8.222}
{0 CHEMBL99337,1 1,4 1,5 2.398,8 5,9 201.82,10 1,11 3,12 1,13 43.834,14 6,15 104.497,16 20.834,17 0.219,18 19.298,19 4.89,20 4.89,21 1,22 3.772,23 4,24 2,25 7,26 7.761,29 7.233,30 43.834,31 4.628,32 4.628,33 5.233,34 5.233,37 4.761,38 4.761,39 4.761,41 0.029,42 4.774,43 3.418,44 3.418,45 3.418,46 3,47 4.713,49 12.534,50 12.534,51 12.534,52 32.22,53 7.313,54 7.313,55 5,56 11,57 11.615,58 23.923,59 11,60 2,61 6.823,62 19.946,63 17.032,64 2.064,65 0.67,66 3.551,67 4.727,68 8.097}
{0 CHEMBL99638,6 3,9 98.72,11 1,13 5.807,14 1,16 20.182,17 0.102,18 18.685,19 4.801,20 4.801,21 2,22 3.465,26 7.66,29 6.661,30 5.807,31 4.076,32 4.076,33 4.661,34 4.661,37 4.66,38 4.66,39 4.66,41 0.033,42 4.728,43 3.313,44 3.313,45 3.313,46 1,47 3.958,49 11.657,50 11.657,51 11.657,53 7.111,54 7.111,56 12,57 7.707,58 23.22,59 12,60 2,62 18.533,63 12.938,64 2.099,65 1,66 1.928,68 6.886}
{0 CHEMBL99641,6 3,9 113.55,11 1,13 5.807,16 20.243,17 0.039,18 18.759,19 4.801,20 4.801,21 1,22 3.721,24 1,26 7.66,29 6.661,30 5.807,31 4.152,32 4.152,33 4.661,34 4.661,37 4.66,38 4.66,39 4.66,41 0.032,42 4.728,43 3.313,44 3.313,45 3.313,46 1,47 4.004,49 11.657,50 11.657,51 11.657,53 7.111,54 7.111,55 2,56 18,57 25.595,58 23.27,59 18,60 4,62 18.533,63 14.637,64 2.118,65 1,66 2.385,68 6.509}
{0 CHEMBL99694,6 3,9 156.07,11 2,13 11.615,16 20.912,17 0.08,18 19.405,19 4.858,20 4.858,21 1,22 3.777,26 7.709,29 6.686,30 11.615,31 4.657,32 4.657,33 4.686,34 4.686,37 4.709,38 4.709,39 4.709,41 0.039,42 4.749,43 3.394,44 3.394,45 3.394,46 2,47 4.715,49 12.508,50 12.508,51 12.508,53 7.308,54 7.308,56 24,57 29.919,58 23.969,59 24,60 4,62 19.853,63 22.367,64 2.138,65 0.67,66 4.458,68 7.137}
{0 CHEMBL99697,6 2,9 101.52,11 1,13 5.807,16 20.309,17 0.056,18 18.826,19 4.809,20 4.809,21 1,22 3.747,26 7.671,29 6.663,30 44.956,31 4.174,32 4.174,33 4.663,34 4.663,37 4.671,38 4.671,39 4.671,41 0.028,42 4.73,43 3.327,44 3.327,45 3.327,46 2,47 4.023,49 11.698,50 11.698,51 11.698,53 7.118,54 7.118,56 18,57 46.855,58 23.333,59 18,60 1,62 18.713,63 15.578,64 2.128,65 1,66 3.196,68 7.337}
{0 CHEMBL99736,1 1,2 2,3 1,4 1,5 2.398,6 1,7 2,8 1,9 184.64,10 1,11 2,12 1,13 37.085,14 3,15 92.588,16 20.218,17 0.267,18 18.714,19 4.81,20 4.81,21 2,22 3.589,23 3,24 2,25 2,26 7.673,28 6.922,29 6.663,30 37.085,31 4.076,32 4.076,33 4.663,34 4.663,36 0.656,37 4.673,38 4.673,39 4.673,41 0.026,42 4.776,43 3.327,44 3.327,45 3.327,46 2,47 4.025,49 11.699,50 11.699,51 11.699,52 31.278,53 7.118,54 7.118,55 2,56 11,57 41.033,58 23.259,59 11,61 6.605,62 18.726,63 14.641,64 2.1,65 0.83,66 2.263,67 4.595,68 7.745}
{0 CHEMBL99855,1 1,2 2,3 1,4 1,5 2.398,6 1,7 2,8 1,9 184.64,10 1,11 2,12 1,13 37.085,14 3,15 112.476,16 20.276,17 0.202,18 18.785,19 4.81,20 4.81,21 2,22 3.747,23 3,24 2,25 2,26 7.673,28 6.963,29 6.663,30 37.085,31 4.152,32 4.152,33 4.663,34 4.663,36 0.655,37 4.673,38 4.673,39 4.673,41 0.028,42 4.776,43 3.327,44 3.327,45 3.327,46 2,47 4.028,49 11.699,50 11.699,51 11.699,52 31.278,53 7.118,54 7.118,55 2,56 17,57 41.033,58 23.307,59 17,61 6.605,62 18.726,63 16.694,64 2.118,65 0.83,66 2.881,67 4.595,68 7.824}
{0 CHEMBL99927,1 1,2 2,3 1,4 1,5 2.398,7 2,8 3,9 212.64,10 1,11 3,12 1,13 42.893,14 4,15 87.661,16 20.811,17 0.104,18 19.28,19 4.864,20 4.864,21 1,22 3.777,23 4,24 2,25 8,26 7.718,28 6.709,29 6.687,30 42.893,31 4.661,32 4.661,33 4.687,34 4.687,36 0.469,37 4.718,38 4.718,39 4.718,41 0.032,42 4.796,43 3.403,44 3.403,45 3.403,46 3,47 4.717,49 12.512,50 12.512,51 12.512,52 31.278,53 7.309,54 7.309,55 4,56 11,57 61.346,58 23.893,59 11,60 2,61 6.605,62 19.878,63 15.411,64 2.063,65 0.67,66 2.85,67 4.595,68 8}
{0 CHEMBL99958,6 2,9 101.52,11 1,13 5.807,16 20.195,17 0.122,18 18.697,19 4.805,20 4.805,21 1,22 3.39,25 2,26 7.665,29 6.662,30 5.807,31 4.076,32 4.076,33 4.662,34 4.662,37 4.665,38 4.665,39 4.665,41 0.025,42 4.728,43 3.32,44 3.32,45 3.32,46 1,47 3.961,49 11.69,50 11.69,51 11.69,53 7.116,54 7.116,55 1,56 12,57 7.707,58 23.234,59 12,60 2,62 18.668,63 12.254,64 2.105,65 1,66 1.851,68 6.387}