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0.802,111 0.802,112 3.305,113 0.962,114 -4.41,115 -4.34,116 -4.1,118 42.5,119 1,128 1,131 9,132 2,133 2,135 1,139 1,146 1,147 1,148 1,149 1,153 9,155 1,156 5,158 2,159 2,164 11,168 11,173 2,176 9,178 2,180 10,185 2,188 7,190 2,193 3,200 9,204 2,205 2,207 1,208 1,213 9,219 2,220 1,222 1,223 1,228 6,233 4,238 2,241 4,243 2,247 4,252 2,255 2,257 2,259 1072,260 16.322,261 16.322,262 16.322,263 16.322,264 16.322,265 14.092,266 16.116,267 9.116,268 16.825,269 13.807,270 13.807,271 13.807,272 13.807,273 13.807,274 10.352,275 13.898,276 4.336,277 14.733,278 3.357,279 1.764,280 1.251,281 0.738,282 0.738,283 0.738,284 3.973,287 1,288 1,289 503,290 3.937,292 76.74,293 168.629,297 1.408,298 51.518,301 1,302 1,303 1,304 0.6,306 1,307 1,308 0.8,309 60,310 242,311 4.803,312 4.661,313 7.148,314 4.28,315 3.383,316 4.663,317 3.825,318 11.915,319 3.105,320 4.618,321 4.462,322 7.111,323 4.221,324 3.312,325 4.287,327 11.658,328 2.991,329 4.235,330 3.203,331 6.657,332 3.931,333 3.024,334 3.603,336 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{0 CHEMBL19,1 2.17,2 5.643,3 0.678,4 0.46,5 53.079,6 10.741,8 3.244,9 3.327,10 3.383,11 2.785,12 4.483,13 2.722,14 3.738,15 3.876,16 3.744,17 3.04,18 5.502,19 3.003,20 3.742,21 3.861,22 3.606,23 2.982,24 5.371,25 2.95,26 3.587,27 3.698,28 3.378,29 2.929,30 5.02,31 2.843,32 3.524,33 3.642,34 3.073,35 2.761,36 5.188,37 2.705,38 3.629,39 3.821,40 2.623,41 2.532,42 5.012,43 2.435,44 3.336,45 3.606,46 2.387,47 2.085,48 5.215,49 1.982,50 2.783,51 2.984,52 0.858,53 1.351,54 4.29,55 1.29,56 0.139,57 0.388,58 3.831,59 2.294,60 31.392,61 1.789,62 0.415,63 0.531,64 14.418,65 3.501,66 76.422,67 3.092,68 0.457,69 0.486,70 7.86,71 2.947,72 75.385,73 2.055,74 0.267,75 0.446,76 11.08,77 3.493,78 34.04,79 2.83,80 0.281,81 0.366,82 11.048,83 3.234,84 37.01,85 2.66,86 0.499,87 0.279,88 6.985,89 2.568,90 91.64,91 2.213,92 0.436,93 0.162,94 14.96,95 2.822,96 91.593,97 3.405,98 0.302,99 0.07,100 3.671,101 0.841,102 59.292,103 0.536,104 42,105 21,106 0.456,107 0.751,108 0.809,109 0.809,110 0.809,111 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{0 CHEMBL20,1 2.234,2 5.692,3 -1.206,4 1.454,5 48.798,6 11.699,7 0.385,8 3.125,9 3.199,10 3.337,11 2.686,12 4.431,13 2.63,14 3.578,15 3.671,16 3.688,17 2.938,18 5.437,19 2.897,20 3.615,21 3.722,22 3.464,23 2.773,24 5.302,25 2.756,26 3.387,27 3.525,28 3.204,29 2.594,30 5.081,31 2.59,32 3.132,33 3.274,34 2.691,35 2.345,36 4.739,37 2.265,38 2.955,39 3.12,40 2.495,41 2.06,42 4.334,43 2.027,44 2.808,45 2.883,46 2.379,47 1.819,48 5.142,49 1.849,50 2.783,51 2.984,52 0.858,53 1.351,54 4.29,55 1.29,56 0.122,57 0.349,58 2.323,59 2.009,60 33.26,61 1.188,62 0.351,63 0.467,64 10.906,65 3.337,66 72.363,67 2.501,68 0.44,69 0.386,70 7.001,71 2.808,72 82.321,73 1.356,74 0.262,75 0.321,76 7.257,77 2.364,78 38.715,79 1.967,80 0.18,81 0.24,82 7.243,83 2.083,84 21.644,85 1.542,86 0.21,87 0.166,88 2.409,89 1.299,90 40.777,91 0.789,92 0.249,93 0.116,94 6.508,95 1.648,96 67.137,97 1.305,98 0.323,99 0.067,100 3.11,101 0.934,102 64.753,103 0.431,104 31,105 19,106 0.484,107 0.766,108 0.821,109 0.821,110 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{0 CHEMBL21,1 1.958,2 4.727,3 -0.088,4 0.008,5 44.1,6 9.065,7 0.545,8 3.067,9 3.165,10 3.082,11 2.658,12 4.263,13 2.595,14 3.507,15 3.609,16 3.206,17 2.955,18 5.292,19 2.894,20 3.696,21 3.847,22 3.074,23 2.978,24 5.132,25 2.883,26 3.661,27 3.875,28 2.697,29 2.686,30 5.056,31 2.571,32 3.324,33 3.602,34 2.215,35 2.136,36 4.522,37 2.017,38 2.556,39 2.789,40 1.811,41 1.516,42 4.409,43 1.408,44 2.339,45 2.571,46 0.61,47 0.972,48 3.807,49 0.937,50 1.515,51 1.922,52 0.028,53 0.457,54 1.609,55 0.245,56 0.101,57 0.31,58 5.695,59 1.884,60 26.912,61 1.847,62 0.255,63 0.419,64 7.809,65 3.229,66 59.447,67 3.397,68 0.249,69 0.459,70 9.963,71 3.678,72 47.057,73 3.823,74 0.29,75 0.377,76 11.234,77 3.222,78 54.327,79 3.605,80 0.252,81 0.228,82 8.759,83 1.952,84 53.79,85 2.61,86 0.139,87 0.118,88 5.342,89 1.141,90 30.675,91 1.294,92 0.152,93 0.066,94 2.654,95 0.323,96 32.073,97 0.281,98 0.032,99 0.021,100 1.799,101 0.35,102 5.99,103 0.58,104 18,105 16,106 0.427,107 0.628,108 0.72,109 0.766,110 0.766,111 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