"molecule_id","AAC","AMW","BIC0","C.","CATS2D_04_LL","CATS2D_05_LL","CATS2D_06_LL","CATS2D_08_DL","CATS2D_09_LL","CIC0","Eta_beta_A","GATS3e","IC0","MATS3p","MATS3s","MATS4m","nCs","ON1V","PHI","P_VSA_LogP_5","P_VSA_s_3","PW5","S2K","SdssC","SIC0","SpMin2_Bh.m.","SpMin6_Bh.m.","StsC","X1Per","X3A","SpMin7_Bh.s.","Eta_F_A","GATS2i","MATS3e","MATS3m","GATS8s","Eta_C_A","GATS1m","GATS2p","GATS2v","MATS3v","nCsp3","NssCH2","SIC1","SpMAD_AEA.bo.","X2Av","ATSC1e","ATSC1s","Eig05_EA.dm.","GATS4m","GATS7s","Hypertens.80","MATS4e","Psi_e_A","Psi_i_A","SpAD_EA.dm.","SpMin2_Bh.s.","ALOGP","ATS3p","ATS4p","ATS4v","ATS5e","ATS5i","ATS5p","ATS5v","ATS6e","ATS6i","ATS6p","ATS6v","ATS7e","ATS7i","ATS7p","ATS7v","ATS8e","ATS8i","ATS8p","ATS8v","ATSC1p","ATSC2i","ATSC3i","ATSC3p","ATSC4i","ATSC4v","ATSC5i","ATSC5m","ATSC5p","ATSC5v","ATSC6i","ATSC6p","ATSC6v","ATSC7i","ATSC7m","ATSC7v","ATSC8i","ATSC8m","ATSC8v","BIC2","BLI","CATS2D_07_DL","CIC2","CIC3","DLS_02","Eig07_AEA.dm.","Eta_betaP_A","Eta_FL_A","Eta_L_A","GATS1v","GATS3s","GATS4v","H.","IC1","LLS_02","LOC","MATS2i","MATS2p","MATS4v","MATS5s","MCD","Mv","RBF","SIC2","SpDiam_AEA.ed.","SpMAD_EA.ri.","SpMax8_Bh.s.","SpMaxA_EA.dm.","SpMin8_Bh.s.","SsCH3","X0Av","X1Av","X3v","ATS2v","ATS3v","ATSC4p","ATSC7p","ATSC8p","C.002","CATS2D_01_LL","CATS2D_08_AL","DLS_07","Eig09_AEA.ri.","Eig09_EA.ri.","Eig12_AEA.ri.","Eig12_EA.ri.","Eta_B_A","Eta_betaS_A","GATS3m","GATS3v","GATS7e","H.046","H.051","JGI1","MATS1e","MATS1p","MATS7e","MATS7p","MATS7s","Mp","nC","nRCONHR","Psi_i_1","P_VSA_i_2","P_VSA_MR_1","PW2","SM03_EA.dm.","pXC50"
{1 2.088,2 9.885,3 0.398,4 27.3,10 2.956,11 1,12 0.998,13 2.088,14 -0.042,15 -0.054,16 -0.04,17 3,18 1.592,19 4.677,21 25.228,22 0.089,23 6.004,24 -3.325,25 0.414,26 1.751,27 0.879,29 4.447,30 0.185,32 0.895,33 1.058,34 -0.102,35 -0.16,36 1.186,37 0.838,38 0.732,39 1.007,40 1.037,41 -0.101,42 5,43 2,44 0.817,45 1.556,46 0.17,47 0.579,48 81.198,50 0.945,51 1.534,53 -0.065,54 8.991,55 3.491,56 8.421,57 0.973,58 -2.585,59 3.478,60 3.41,61 3.421,62 4.407,63 4.589,64 3.359,65 3.351,66 4.293,67 4.42,68 3.213,69 3.257,70 4.225,71 4.397,72 2.953,73 2.946,74 3.738,75 3.935,76 2.65,77 2.637,78 3.22,79 0.734,80 0.788,81 6.045,82 0.725,83 6.276,84 0.662,85 22.205,86 5.966,87 6.177,88 0.608,89 5.282,90 4.861,91 0.446,92 17.406,93 3.726,94 0.304,95 14.189,96 2.878,97 0.903,98 0.988,100 0.303,101 0.242,102 0.83,103 1.878,104 0.286,105 0.208,106 0.252,107 1.016,108 0.861,109 1.066,110 36.4,111 4.123,112 0.88,113 1.365,114 -0.032,115 -0.065,116 -0.06,117 0.052,118 0.524,119 0.643,120 0.118,121 0.94,122 5.693,123 1.451,124 4.63,125 0.078,128 0.537,129 0.329,130 3.331,131 3.454,132 3.515,133 6.006,134 4.115,135 3.097,136 1,139 0.5,140 1.317,141 0.338,142 0.188,143 -0.674,144 0.044,145 0.714,146 1.017,147 1.077,148 1.351,151 0.318,152 -0.335,153 -0.293,154 -0.274,155 0.2,156 -0.372,157 0.631,158 9,160 11.161,161 34.276,162 109.129,163 0.61,164 1.305,165 6.244}
{0 CHEMBL1823493,1 1.956,2 9.454,3 0.354,4 31.6,5 1,6 1,7 1,8 1,10 3.292,11 1.125,12 1.088,13 1.956,14 -0.064,15 -0.121,16 -0.062,17 3,18 1.884,19 5.782,20 34.245,21 19.293,22 0.094,23 7.451,24 -1.449,25 0.373,26 1.802,27 1.049,28 1.71,29 5.241,30 0.184,32 0.983,33 1.037,34 -0.175,35 -0.172,36 0.831,37 0.818,38 0.749,39 0.994,40 1.028,41 -0.094,42 5,43 2,44 0.824,45 1.585,46 0.171,47 0.485,48 68.559,49 0.429,50 0.964,51 1.457,53 -0.057,54 8.742,55 3.242,56 12.491,57 0.998,58 -2.188,59 3.673,60 3.648,61 3.638,62 4.574,63 4.758,64 3.631,65 3.611,66 4.515,67 4.649,68 3.541,69 3.556,70 4.458,71 4.632,72 3.372,73 3.337,74 4.113,75 4.31,76 3.159,77 3.116,78 3.798,79 0.788,80 0.92,81 7.288,82 0.902,83 7.62,84 0.873,85 24.353,86 7.317,87 7.792,88 0.799,89 6.983,90 6.78,91 0.668,92 20.603,93 5.878,94 0.525,95 17.077,96 5.365,97 0.902,98 0.983,99 1,100 0.263,101 0.211,102 0.83,103 2.067,104 0.438,105 0.229,106 0.238,107 0.97,108 0.899,109 1.016,110 36.8,111 4.323,112 0.88,113 1.606,114 0.096,115 -0.043,116 -0.036,117 -0.024,118 0.458,119 0.654,120 0.128,121 0.95,122 6.42,123 1.431,124 4.644,125 0.081,128 0.542,129 0.328,130 3.74,131 3.587,132 3.679,133 7.18,134 5.894,135 4.916,136 1,137 2,138 2,139 0.5,140 1.55,141 0.558,142 0.539,143 -0.483,144 0.037,145 0.688,146 1.036,147 1.075,148 1.3,151 0.28,152 -0.328,153 -0.267,154 -0.242,155 0.154,156 -0.346,157 0.655,158 12,160 12.64,161 63.895,162 117.711,163 0.59,164 1.305,165 4.301}
{0 CHEMBL1823494,1 1.97,2 9.356,3 0.346,4 34.9,5 1,6 1,7 2,8 2,10 3.456,11 1.13,12 1.043,13 1.97,14 -0.043,15 -0.119,16 -0.064,17 3,18 2.21,19 5.675,20 15.492,21 31.6,22 0.095,23 7.678,24 -1.384,25 0.363,26 1.83,27 1.131,29 6.115,30 0.18,31 0.125,32 1.024,33 0.97,34 -0.159,35 -0.169,36 0.909,37 0.859,38 0.719,39 0.974,40 0.998,41 -0.074,42 5,43 2,44 0.786,45 1.551,46 0.167,47 0.512,48 69.764,50 0.946,51 1.325,53 -0.042,54 8.635,55 3.135,56 8.421,57 1.116,58 -0.81,59 3.867,60 3.823,61 3.81,62 4.724,63 4.91,64 3.806,65 3.787,66 4.684,67 4.823,68 3.743,69 3.763,70 4.675,71 4.841,72 3.621,73 3.604,74 4.396,75 4.585,76 3.469,77 3.432,78 4.572,79 1.04,80 1.241,81 9.096,82 1.163,83 9.22,84 1.095,85 27.443,86 8.651,87 9.212,88 1.071,89 8.422,90 8.171,91 0.995,92 24.742,93 7.509,94 0.825,95 21.155,96 7.277,97 0.862,98 0.964,99 1,100 0.512,101 0.372,102 0.83,103 2.405,104 0.444,105 0.231,106 0.237,107 0.936,108 0.91,109 1.054,110 37.2,111 4.263,112 0.88,113 1.209,114 0.051,115 -0.031,116 -0.075,117 -0.038,118 0.63,119 0.658,120 0.111,121 0.906,122 6.042,123 1.464,124 4.69,125 0.059,126 0.047,128 0.54,129 0.321,130 4.53,131 3.778,132 3.869,133 8.83,134 7.688,135 7.028,136 1,137 5,138 1,139 0.5,140 2.142,141 1.114,142 1.265,143 0.264,144 0.038,145 0.685,146 1.019,147 1.05,148 1.173,151 0.276,152 -0.258,153 -0.211,154 -0.115,155 0.143,156 -0.203,157 0.659,158 15,160 14.951,161 78.552,162 156.213,163 0.604,164 1.305,165 4.301}
{0 CHEMBL1823495,1 1.826,2 8.816,3 0.314,4 34,5 2,6 1,7 2,8 2,10 3.729,11 1.134,12 1.055,13 1.826,14 -0.042,15 -0.119,16 -0.057,17 3,18 2.383,19 6.218,20 22.614,21 27.722,22 0.096,23 8.308,24 -1.161,25 0.329,26 1.831,27 1.157,29 6.443,30 0.18,31 0.17,32 1.032,33 0.946,34 -0.151,35 -0.165,36 0.91,37 0.879,38 0.746,39 0.916,40 0.918,41 -0.073,42 6,43 2,44 0.756,45 1.538,46 0.168,47 0.462,48 55.149,49 0.429,50 0.918,51 1.461,53 -0.007,54 8.434,55 2.934,56 10.141,57 1.125,58 -1.032,59 3.938,60 3.933,61 3.906,62 4.846,63 5.04,64 3.927,65 3.893,66 4.789,67 4.93,68 3.863,69 3.86,70 4.778,71 4.953,72 3.749,73 3.716,74 4.578,75 4.773,76 3.616,77 3.57,78 4.869,79 0.996,80 1.189,81 9.354,82 1.217,83 10.888,84 1.219,85 31.916,86 9.77,87 11.242,88 1.131,89 9.324,90 10.107,91 1.022,92 28.222,93 9.154,94 0.881,95 25.7,96 8.626,97 0.873,98 0.974,99 1,100 0.484,101 0.271,102 0.83,103 2.353,104 0.446,105 0.233,106 0.237,107 0.988,108 0.912,109 1.082,110 40.4,111 4.202,112 0.88,113 1.287,114 0.189,115 0.039,116 -0.106,117 -0.039,118 0.607,119 0.641,120 0.122,121 0.913,122 6.219,123 1.451,124 4.633,125 0.057,126 0.128,127 1.484,128 0.558,129 0.325,130 4.755,131 3.821,132 3.929,133 9.579,134 8.44,135 7.541,136 1,137 5,138 4,139 0.5,140 2.24,141 1.213,142 1.296,143 0.368,144 0.036,145 0.688,146 1.004,147 1.042,148 1.256,151 0.267,152 -0.266,153 -0.233,154 -0.211,155 0.084,156 -0.292,157 0.652,158 16,160 15.47,161 85.557,162 176.567,163 0.597,164 1.305,165 4.301}
{0 CHEMBL1823496,1 1.642,2 7.27,3 0.266,4 32.3,5 10,6 9,7 8,8 2,9 5,10 4.38,11 0.883,12 0.865,13 1.642,14 -0.008,15 0.003,16 0.082,17 12,18 4.306,19 11.205,20 3.186,21 42.104,22 0.082,23 13.349,24 -1.218,25 0.273,26 1.963,27 1.595,28 5.754,29 8.932,30 0.195,31 0.711,32 0.751,33 1.183,34 0.008,35 0.034,36 0.866,37 1.14,38 0.859,39 1.108,40 1.161,41 0.034,42 15,43 11,44 0.556,45 1.484,46 0.209,47 0.273,48 42.982,50 0.819,51 1.309,52 1,53 0.11,54 8.181,55 2.681,56 8.421,57 1.272,58 2.648,59 4.181,60 4.147,61 4.034,62 5.057,63 5.299,64 4.135,65 4.017,66 5.033,67 5.247,68 4.089,69 4,70 5.008,71 5.239,72 4.008,73 3.891,74 4.85,75 5.09,76 3.922,77 3.806,78 6.684,79 1.335,80 1.563,81 13.268,82 1.503,83 17.667,84 1.46,85 41.451,86 12.828,87 17.115,88 1.414,89 11.96,90 15.997,91 1.312,92 38.393,93 14.932,94 1.185,95 34.388,96 13.663,97 0.713,98 1.147,99 2,100 1.62,101 1.073,102 0.5,103 2.185,104 0.25,105 0.15,106 0.325,107 1.167,108 0.751,109 0.956,110 50.8,111 3.347,112 0.63,113 2.636,114 -0.011,115 -0.09,116 0.033,117 0.043,118 0.344,119 0.586,120 0.182,121 0.731,122 6.542,123 1.397,124 4.61,125 0.052,126 0.515,127 2.196,128 0.602,129 0.382,130 5.753,131 3.997,132 4.076,133 12.873,134 11.025,135 10.106,136 10,137 12,138 5,140 2.358,141 1.337,142 1.655,143 0.654,144 0.027,145 0.633,146 0.86,147 0.962,148 1.092,149 21,151 0.212,152 -0.199,153 -0.18,154 -0.057,155 0.077,156 -0.163,157 0.623,158 21,160 18.204,161 94.038,162 341.362,163 0.567,164 1.305,165 4.301}
{0 CHEMBL1823497,1 1.662,2 7.402,3 0.269,4 31.8,5 9,6 8,7 7,8 3,9 4,10 4.382,11 0.879,12 0.803,13 1.662,14 -0.016,15 0.051,16 0.07,17 12,18 4.262,19 11.342,20 3.186,21 39.569,22 0.084,23 13.457,24 -1.579,25 0.275,26 1.963,27 1.576,28 5.636,29 9.007,30 0.193,31 0.687,32 0.799,33 1.2,34 0.094,35 0.062,36 1.031,37 1.156,38 0.857,39 1.12,40 1.161,41 0.03,42 15,43 10,44 0.571,45 1.49,46 0.202,47 0.335,48 53.442,50 0.837,51 1.04,52 1,53 0.057,54 8.277,55 2.777,56 8.421,57 1.272,58 1.882,59 4.198,60 4.171,61 4.078,62 5.103,63 5.331,64 4.162,65 4.065,66 5.088,67 5.298,68 4.117,69 4.046,70 5.048,71 5.265,72 4.042,73 3.943,74 4.904,75 5.133,76 3.945,77 3.843,78 6.707,79 1.342,80 1.577,81 13.358,82 1.533,83 17.784,84 1.489,85 43.381,86 13.061,87 17.378,88 1.448,89 12.073,90 16.236,91 1.34,92 40.716,93 15.315,94 1.206,95 36.372,96 13.756,97 0.729,98 1.123,99 3,100 1.531,101 1.057,102 0.5,103 2.249,104 0.242,105 0.153,106 0.321,107 1.149,108 0.743,109 0.94,110 50,111 3.451,112 0.63,113 2.607,114 -0.014,115 -0.091,116 0.043,117 0.101,118 0.333,119 0.588,120 0.179,121 0.747,122 6.811,123 1.399,124 4.767,125 0.051,126 0.514,127 2.184,128 0.593,129 0.374,130 5.85,131 4.02,132 4.114,133 12.985,134 11.493,135 10.251,136 9,137 12,138 5,140 2.443,141 1.428,142 1.671,143 0.67,144 0.029,145 0.636,146 0.836,147 0.968,148 0.889,149 21,151 0.206,152 -0.213,153 -0.162,154 0.143,155 0.045,156 0.089,157 0.621,158 21,160 18.643,161 91.503,162 329.591,163 0.571,164 1.305,165 4.301}
{0 CHEMBL1823498,1 1.74,2 7.738,3 0.283,4 31.7,5 5,6 5,7 5,8 3,9 4,10 4.237,11 0.939,12 0.976,13 1.74,14 -0.007,15 -0.058,16 0.019,17 9,18 3.911,19 11.009,20 3.186,21 41.311,22 0.082,23 13.215,24 -1.407,25 0.291,26 1.957,27 1.579,28 5.548,29 8.588,30 0.195,31 0.697,32 0.865,33 1.172,34 -0.064,35 -0.011,36 0.78,37 1.071,38 0.82,39 1.086,40 1.12,41 0.027,42 13,43 9,44 0.636,45 1.503,46 0.193,47 0.37,48 53.718,49 0.429,50 0.895,51 1.311,52 1,53 0.015,54 8.348,55 2.848,56 12.533,57 1.249,58 -0.004,59 4.124,60 4.086,61 4.016,62 5.006,63 5.224,64 4.077,65 4.003,66 4.979,67 5.16,68 4.04,69 3.992,70 4.976,71 5.187,72 3.977,73 3.884,74 4.84,75 5.077,76 3.9,77 3.798,78 6.096,79 1.285,80 1.477,81 11.803,82 1.413,83 15.29,84 1.371,85 39.15,86 11.319,87 14.761,88 1.328,89 10.762,90 13.824,91 1.25,92 36.697,93 13.667,94 1.149,95 34.065,96 13.241,97 0.838,98 1.084,99 3,100 0.825,101 0.425,102 0.5,103 2.509,104 0.288,105 0.176,106 0.296,107 1.122,108 0.869,109 0.966,110 47.6,111 3.8,112 0.63,113 2.607,114 0.004,115 -0.079,116 0.011,117 -0.043,118 0.333,119 0.6,120 0.172,121 0.862,122 6.471,123 1.409,124 4.77,125 0.056,126 0.341,127 2.05,128 0.583,129 0.361,130 5.406,131 3.977,132 4.058,133 11.322,134 10.373,135 9.813,136 7,137 8,138 6,140 2.409,141 1.388,142 1.687,143 0.691,144 0.03,145 0.652,146 0.914,147 0.962,148 1.134,149 11,150 2,151 0.235,152 -0.217,153 -0.195,154 -0.115,155 0.064,156 -0.192,157 0.626,158 20,159 1,160 18.135,161 93.244,162 270.735,163 0.573,164 2.029,165 4.301}
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