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dm.","Eig15_AEA.ed.","Eig15_AEA.ri.","Eig15_EA","Eig15_EA.bo.","Eig15_EA.ed.","Eig15_EA.ri.","Eta_alpha","Eta_alpha_A","Eta_B","Eta_B_A","Eta_beta","Eta_beta_A","Eta_betaP","Eta_betaP_A","Eta_betaS","Eta_betaS_A","Eta_C","Eta_C_A","Eta_epsi","Eta_epsi_A","Eta_F","Eta_F_A","Eta_FL","Eta_FL_A","Eta_L","Eta_L_A","Eta_sh_p","Eta_sh_x","Eta_sh_y","F.081","F.083","F.084","GATS1e","GATS1i","pXC50"
{1 2.895,2 2.942,3 143.581,4 177.355,5 1.682,6 10.037,7 3.884,8 15.085,9 105.742,10 8.778,11 0.767,12 3.876,13 3.969,14 3.685,15 3.557,16 5.067,17 3.514,18 4.342,19 4.468,20 3.966,21 3.915,22 5.557,23 3.863,24 4.56,25 4.722,26 3.994,27 3.994,28 5.781,29 3.931,30 4.58,31 4.762,32 3.908,33 3.95,34 5.751,35 3.886,36 4.601,37 4.819,38 3.857,39 3.946,40 5.646,41 3.871,42 4.499,43 4.692,44 3.898,45 3.935,46 5.602,47 3.856,48 4.493,49 4.659,50 3.897,51 3.953,52 5.719,53 3.858,54 4.594,55 4.821,56 3.718,57 3.862,58 5.71,59 3.742,60 0.057,61 0.666,62 7.483,63 3.94,64 8.578,65 4.237,66 0.115,67 1.074,68 14.667,69 6.738,70 15.682,71 7.342,72 0.247,73 1.318,74 18.974,75 8.268,76 43.026,77 8.97,78 0.275,79 1.334,80 19.434,81 7.928,82 40.885,83 8.824,84 0.302,85 1.29,86 19.997,87 7.981,88 39.294,89 9.967,90 0.252,91 1.223,92 17.439,93 7.486,94 31.067,95 9.636,96 0.242,97 1.216,98 16.215,99 7.987,100 27.859,101 9.813,102 0.261,103 1.31,104 21.198,105 8.944,106 39.575,107 10.966,108 11,109 42,110 0.287,111 0.569,112 0.703,113 0.795,114 0.81,115 0.81,116 3.341,117 0.988,118 -4.92,119 -4.83,120 -4.53,122 48.8,127 1,140 10,141 3,142 2,143 2,144 1,150 1,156 1,165 10,168 4,170 1,172 2,173 9,177 8,181 5,183 5,187 8,191 4,193 6,197 1,199 1,201 2,204 14,206 1,207 1,212 18,214 1,215 3,218 1,221 12,224 4,230 4,233 4,242 1123,243 18.361,244 18.361,245 18.361,246 18.361,247 18.361,248 15.561,249 4.368,250 10.837,251 18.876,252 14.814,253 14.814,254 14.814,255 14.814,256 14.814,257 10.659,258 2.498,259 5.164,260 15.642,261 3.744,262 2.087,263 1.302,264 0.762,265 0.669,266 0.669,267 4.038,269 1,270 1,271 1,272 587,273 2.646,275 74.848,276 265.59,283 1.451,284 27.251,286 1,287 1,288 1,289 1,290 0.6,292 1,293 1,294 0.8,295 58,296 271,297 4.568,298 4.698,299 6.747,300 4.172,301 3.204,302 4.301,303 2.95,304 11.08,305 3.103,306 4.196,307 3.207,308 6.1,309 3.769,310 2.819,311 3.802,313 8.88,314 2.706,315 3.986,316 2.897,317 5.879,318 3.558,319 2.592,320 3.578,322 8.043,323 2.526,324 3.913,325 2.729,326 5.772,327 3.479,328 2.553,329 3.377,331 7.837,332 2.294,333 3.621,334 2.51,335 5.054,336 3.176,337 2.229,338 3.038,340 6.071,341 2.091,342 3.253,343 2.432,344 4.69,345 2.752,346 1.805,347 2.55,349 4.948,350 1.696,351 2.997,352 1.854,353 4.272,354 2.455,355 1.527,356 2.177,358 3.75,359 1.403,360 2.727,361 1.488,362 3.913,363 2.169,364 1.23,365 1.772,367 3.032,368 1.139,369 2.5,370 1.172,371 3.711,372 2,373 1,374 1.5,376 2.575,377 1,378 2.5,379 1,380 3.456,381 2,382 1,383 1.5,385 2.275,386 1,387 2.5,388 1,389 3.414,390 1.984,391 1,392 1.5,393 2.275,394 0.983,395 2.44,396 1,397 3.414,398 1.892,399 0.945,400 1.382,401 2.192,402 0.886,403 2.277,404 0.826,405 3.247,406 1.716,407 0.792,408 1.169,409 2.136,410 0.73,411 1.137,412 0.62,413 2.605,414 0.725,415 -0.188,416 -0.236,417 -0.422,418 -0.166,419 0.965,420 0.301,421 2.512,422 0.504,423 -0.453,424 -0.594,425 -1.096,426 -0.422,427 13.152,428 0.487,429 0.644,430 0.024,431 40.5,432 1.5,433 23.5,434 0.87,435 17,436 0.63,437 17.941,438 0.664,439 27.048,440 0.629,441 29.792,442 1.103,443 8.054,444 0.298,445 5.06,446 0.187,447 0.085,449 0.367,452 1,453 0.545,454 0.959,455 5}
{0 CHEMBL101253,1 2.89,2 2.946,3 128.638,4 163.658,5 1.496,6 10.4,7 4.705,8 22.138,9 100.976,10 8.671,11 0.821,12 3.803,13 3.913,14 3.514,15 3.464,16 4.975,17 3.437,18 4.262,19 4.398,20 3.86,21 3.837,22 5.382,23 3.788,24 4.511,25 4.697,26 3.901,27 3.938,28 5.564,29 3.861,30 4.515,31 4.732,32 3.756,33 3.84,34 5.52,35 3.754,36 4.451,37 4.676,38 3.759,39 3.782,40 5.493,41 3.723,42 4.382,43 4.579,44 3.717,45 3.806,46 5.456,47 3.734,48 4.37,49 4.573,50 3.668,51 3.781,52 5.403,53 3.675,54 4.285,55 4.512,56 3.486,57 3.609,58 5.255,59 3.465,60 0.036,61 0.569,62 5.871,63 3.065,64 6.797,65 3.852,66 0.051,67 0.892,68 10.545,69 5.141,70 10.565,71 6.527,72 0.15,73 1.134,74 18.583,75 7.031,76 22.023,77 8.915,78 0.152,79 1.147,80 19.99,81 7.228,82 24.391,83 9.299,84 0.206,85 1.11,86 17.499,87 6.324,88 25.7,89 8.142,90 0.186,91 1.026,92 15.521,93 5.816,94 22.825,95 7.282,96 0.139,97 0.952,98 15.408,99 6.574,100 20.483,101 8.757,102 0.115,103 0.837,104 16.149,105 6.477,106 20.375,107 8.711,108 2,109 38,110 0.259,111 0.558,112 0.709,113 0.819,114 0.836,115 0.845,116 3.267,117 0.893,118 -5.43,119 -5.31,120 -4.96,122 50,124 1,140 10,141 3,142 2,143 2,144 1,145 1,161 1,165 11,168 5,170 1,172 3,173 14,177 7,179 1,181 4,183 10,187 10,191 2,193 8,197 8,201 3,204 13,206 1,207 3,211 1,212 13,214 1,215 3,220 2,221 11,224 3,230 8,233 1,235 1,239 8,242 911,243 17.361,244 17.361,245 17.361,246 17.361,247 17.361,248 14.555,249 18.364,250 10.512,251 17.698,252 13.875,253 13.875,254 13.875,255 13.875,256 13.875,257 9.836,258 28.435,259 5.06,260 14.462,261 3.826,262 2.106,263 1.23,264 0.6,265 0.5,266 0.45,267 3.972,268 1,270 1,271 1,272 572,273 2.345,276 266.179,280 101.355,283 1.856,284 13.492,286 1,287 0.75,288 1,289 1,290 0.6,292 1,293 1,294 0.76,295 52.333,296 260,297 4.596,298 3.258,299 6.707,300 4.135,301 3.153,302 4.543,303 0.68,304 10.902,305 3.096,306 4.03,307 2.961,308 5.8,309 3.622,310 2.659,311 3.625,312 0.4,313 8.069,314 2.567,315 3.92,316 2.823,317 5.423,318 3.508,319 2.531,320 3.467,322 7.166,323 2.46,324 3.64,325 2.533,326 5.255,327 3.188,328 2.251,329 3.075,331 6.536,332 2.109,333 3.404,334 2.184,335 4.905,336 2.943,337 2.007,338 2.76,340 5.669,341 1.851,342 3.274,343 1.907,344 4.658,345 2.783,346 1.831,347 2.591,349 4.855,350 1.673,351 2.887,352 1.516,353 3.792,354 2.382,355 1.44,356 2.053,358 3.102,359 1.355,360 2.777,361 1.288,362 3.598,363 2.267,364 1.281,365 1.913,367 2.852,368 1.26,369 2.5,370 1.076,371 3.562,372 2,373 1.013,374 1.5,376 2.575,377 1,378 2.5,379 1,380 3.414,381 1.994,382 1,383 1.5,385 2.275,386 0.99,387 2.465,388 1,389 3.247,390 1.984,391 1,392 1.449,393 2.136,394 0.983,395 1.729,396 0.741,397 3.101,398 1.405,399 0.449,400 0.552,401 1.119,402 0.42,403 1.313,404 0.426,405 2.764,406 0.935,407 0.02,408 0.025,409 0.048,410 0.016,411 1.014,412 -0.044,413 2.445,414 0.595,415 -0.34,416 -0.435,417 -0.814,418 -0.291,419 0.889,420 -0.429,421 2.304,422 0.391,423 -0.583,424 -0.833,425 -1.455,426 -0.561,427 12.314,428 0.493,429 0.465,430 0.019,431 38.25,432 1.53,433 22.5,434 0.9,435 15.75,436 0.63,437 15.877,438 0.635,439 24.286,440 0.607,441 25.535,442 1.021,443 7.668,444 0.307,445 4.625,446 0.185,447 0.058,449 0.284,453 0.647,454 1,455 5}
{0 CHEMBL103667,1 3.5,2 3.546,3 266.431,4 348.22,5 1.476,6 15.333,7 5.907,8 34.897,9 153.448,10 6.944,11 0.512,12 4.416,13 4.543,14 3.928,15 3.926,16 5.446,17 3.899,18 4.975,19 5.161,20 4.296,21 4.324,22 5.966,23 4.279,24 5.224,25 5.428,26 4.344,27 4.489,28 6.191,29 4.408,30 5.354,31 5.615,32 4.314,33 4.494,34 6.25,35 4.385,36 5.289,37 5.537,38 4.298,39 4.402,40 6.266,41 4.322,42 5.161,43 5.377,44 4.272,45 4.38,46 6.186,47 4.313,48 5.213,49 5.426,50 4.329,51 4.471,52 6.285,53 4.385,54 5.328,55 5.566,56 4.237,57 4.518,58 6.285,59 4.402,60 0.071,61 1.114,62 17.099,63 7.024,64 11.85,65 9.626,66 0.407,67 1.786,68 32.2,69 11.499,70 38.337,71 16.193,72 0.522,73 2.215,74 41.95,75 14.363,76 49.844,77 20.619,78 0.467,79 2.375,80 49.157,81 16.419,82 58.81,83 24.524,84 0.653,85 2.184,86 46.823,87 14.355,88 69.806,89 21.162,90 0.568,91 2.014,92 40.251,93 12.847,94 62.036,95 18.535,96 0.461,97 2.159,98 41.436,99 14.686,100 73.226,101 21.166,102 0.588,103 2.318,104 47.773,105 16.237,106 80.539,107 23.357,108 27,109 61,110 0.226,111 0.537,112 0.702,113 0.788,114 0.812,115 0.816,116 3.693,117 0.941,118 -5.07,119 -4.97,120 -4.65,122 40.8,123 4,126 1,128 6,140 11,141 3,142 3,144 1,151 1,154 1,161 1,165 15,168 7,170 3,171 1,172 3,173 18,176 2,177 11,179 1,181 3,183 14,186 1,187 11,189 1,191 8,193 6,196 1,197 8,199 2,201 9,204 6,206 1,207 11,211 6,212 11,214 1,215 13,218 1,220 7,221 11,224 9,226 1,228 1,230 12,232 1,233 8,237 1,239 23,242 3163,243 26.126,244 26.126,245 26.126,246 26.126,247 26.126,248 23.423,249 36.989,250 15.44,251 26.724,252 21.281,253 21.281,254 21.281,255 21.281,256 21.281,257 17.125,258 47.755,259 7.396,260 22.217,261 4.772,262 2.742,263 1.666,264 1.109,265 0.948,266 0.922,267 4.396,271 1,272 1298,273 4.359,275 114.727,276 481.223,280 186.324,283 2.479,284 29.015,287 0.75,288 0.83,289 0.83,290 0.9,291 0.5,292 0.83,293 1,294 0.81,295 83.5,296 598,297 4.594,298 3.613,299 7.139,300 4.35,301 3.366,302 4.54,303 1.656,304 11.836,305 3.316,306 4.578,307 3.536,308 6.702,309 4.127,310 3.145,311 4.211,312 0.86,313 10.879,314 3.09,315 4.199,316 3.227,317 6.493,318 3.921,319 2.963,320 3.597,321 0.86,322 10.131,323 2.833,324 3.865,325 3.067,326 5.74,327 3.496,328 2.54,329 3.226,330 0.8,331 7.766,332 2.449,333 3.751,334 2.893,335 5.388,336 3.436,337 2.505,338 3.142,339 0.247,340 6.968,341 2.325,342 3.541,343 2.607,344 5.339,345 3.358,346 2.387,347 2.819,349 6.89,350 2.29,351 3.493,352 2.558,353 5.051,354 3.117,355 2.149,356 2.652,358 6.04,359 2.068,360 3.333,361 2.177,362 4.897,363 2.913,364 1.937,365 2.516,367 5.529,368 1.887,369 3.228,370 2.106,371 4.668,372 2.794,373 1.8,374 2.453,376 4.897,377 1.783,378 2.784,379 2.025,380 4.433,381 2.444,382 1.557,383 1.922,385 3.995,386 1.373,387 2.669,388 1.571,389 3.952,390 2.293,391 1.327,392 1.71,393 3.269,394 1.286,395 2.6,396 1.484,397 3.81,398 2.267,399 1.289,400 1.609,401 2.868,402 1.251,403 2.5,404 1.287,405 3.647,406 2.093,407 1.173,408 1.5,409 2.824,410 1.07,411 2.471,412 1.256,413 3.596,414 2,415 1,416 1.461,417 2.727,418 1,419 2.387,420 1.078,421 3.414,422 1.952,423 1,424 1.337,425 2.275,426 0.946,427 18.5,428 0.474,429 1.069,430 0.027,431 48.25,432 1.237,433 23,434 0.59,435 25.25,436 0.647,437 39.35,438 1.009,439 42.7,440 0.562,441 40.967,442 1.05,443 9.39,444 0.241,445 9.385,446 0.241,447 0.126,448 0.027,449 0.286,453 0.823,454 1.355,455 5}
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{0 CHEMBL1336,1 3.276,2 3.319,3 184.065,4 215.284,5 1.965,6 14.281,7 4.176,8 17.437,9 110.459,10 9.685,11 0.529,12 4.003,13 4.1,14 3.755,15 3.517,16 5.316,17 3.555,18 4.496,19 4.622,20 4.2,21 3.853,22 6.254,23 3.888,24 4.687,25 4.837,26 4.212,27 3.955,28 6.089,29 3.972,30 4.729,31 4.888,32 4.278,33 3.87,34 6.302,35 3.909,36 4.633,37 4.809,38 4.034,39 3.794,40 6.141,41 3.811,42 4.604,43 4.799,44 3.841,45 3.776,46 5.894,47 3.752,48 4.507,49 4.685,50 3.977,51 3.684,52 6.22,53 3.67,54 4.383,55 4.577,56 3.681,57 3.61,58 5.663,59 3.582,60 0.311,61 0.902,62 5.104,63 4.001,64 37.643,65 3.787,66 1.055,67 1.686,68 11.815,69 6.648,70 147.525,71 6.555,72 0.943,73 1.452,74 18.483,75 8.178,76 99.294,77 8.02,78 1.323,79 1.452,80 26.239,81 8.848,82 158.001,83 8.205,84 1.117,85 1.415,86 18.246,87 7.271,88 116.513,89 7.605,90 1.027,91 1.273,92 21.288,93 8.134,94 142.434,95 8.546,96 1.184,97 1.129,98 18.324,99 6.854,100 152.715,101 8.195,102 0.73,103 1.053,104 16.236,105 6.388,106 91.483,107 6.945,108 55,109 48,110 0.331,111 0.647,112 0.756,113 0.856,114 0.873,115 0.88,116 3.501,117 0.833,118 -3.51,119 -3.48,120 -3.33,122 43.8,127 1,133 1,140 9,141 1,142 5,143 1,144 1,153 1,154 1,165 4,168 6,170 3,171 1,172 4,173 7,176 1,177 3,179 1,181 5,183 6,186 1,187 4,191 4,193 4,196 1,197 5,199 2,201 6,204 4,207 2,212 4,214 1,215 5,218 1,220 5,221 8,224 2,228 2,230 4,233 4,235 1,237 2,239 2,242 1830,243 20.806,244 20.806,245 20.806,246 20.806,247 20.806,248 18.374,249 27.261,250 12.092,251 21.506,252 16.717,253 16.717,254 16.717,255 16.717,256 16.717,257 12.942,258 35.352,259 5.698,260 17.916,261 3.62,262 1.75,263 1.1,264 0.506,265 0.406,266 0.365,267 4.178,268 1,270 1,271 1,272 952,273 4.416,276 372.995,283 2.451,284 58.279,287 1,288 0.83,289 1,290 0.4,292 1,293 1,294 0.75,295 73.833,296 457,297 4.547,298 4.475,299 7.24,300 4.244,301 3.377,302 4.049,303 3.825,304 12.181,305 2.944,306 4.229,307 3.563,308 6.062,309 3.837,310 2.866,311 3.823,312 1.656,313 8.764,314 2.785,315 4.066,316 3.555,317 5.644,318 3.683,319 2.72,320 3.635,321 1.058,322 7.822,323 2.609,324 3.875,325 3.063,326 5.565,327 3.519,328 2.58,329 3.161,330 0.86,331 7.541,332 2.405,333 3.704,334 2.994,335 5.413,336 3.332,337 2.4,338 3.009,339 0.247,340 7.063,341 2.229,342 3.547,343 2.575,344 5.211,345 3.124,346 2.195,347 2.804,349 6.337,350 2.036,351 3.361,352 2.395,353 4.965,354 2.936,355 2.011,356 2.613,358 5.825,359 1.806,360 3.175,361 2.246,362 4.578,363 2.71,364 1.738,365 2.359,367 4.786,368 1.597,369 2.847,370 1.789,371 4.063,372 2.351,373 1.412,374 1.947,376 3.427,377 1.315,378 2.583,379 1.433,380 4.032,381 2.114,382 1.154,383 1.616,385 3.137,386 1.089,387 2.568,388 1.187,389 3.473,390 2.075,391 1.102,392 1.566,393 2.48,394 1.069,395 2.5,396 1.086,397 3.414,398 2,399 1,400 1.5,401 2.275,402 1,403 1.544,404 1,405 3.068,406 1.223,407 0.316,408 0.37,409 0.808,410 0.276,411 1.471,412 0.86,413 2.898,414 1.174,415 0.188,416 0.223,417 0.331,418 0.183,419 1.444,420 0.704,421 2.828,422 1.024,423 0.136,424 0.167,425 0.249,426 0.108,427 14.671,428 0.458,429 1.021,430 0.032,431 43.5,432 1.359,433 22.5,434 0.703,435 21,436 0.656,437 23.394,438 0.731,439 35.129,440 0.732,441 38.162,442 1.193,443 9.153,444 0.286,445 5.998,446 0.187,447 0.187,448 0.034,449 0.307,451 3,453 0.672,454 1.018,455 5}
{0 CHEMBL1421,1 3.274,2 3.332,3 228.043,4 280.347,5 1.781,6 14.515,7 3.439,8 11.829,9 130.334,10 8.272,11 0.472,12 4.186,13 4.31,14 3.868,15 3.71,16 5.289,17 3.681,18 4.723,19 4.911,20 4.273,21 4.092,22 5.802,23 4.04,24 4.941,25 5.151,26 4.314,27 4.218,28 5.982,29 4.141,30 5.006,31 5.228,32 4.28,33 4.257,34 6.04,35 4.143,36 5.048,37 5.295,38 4.247,39 4.219,40 6.107,41 4.099,42 4.913,43 5.139,44 4.3,45 4.148,46 5.979,47 4.032,48 4.818,49 5.046,50 4.105,51 4.07,52 5.861,53 3.938,54 4.729,55 4.975,56 3.899,57 3.905,58 5.736,59 3.791,60 0.095,61 0.941,62 11.465,63 5.069,64 10.998,65 6.429,66 0.43,67 1.487,68 24.882,69 8.224,70 31.59,71 10.997,72 0.6,73 1.695,74 35.684,75 10.349,76 45.533,77 13.753,78 0.546,79 1.729,80 37.657,81 12.51,82 51.32,83 16.654,84 0.76,85 1.693,86 45.193,87 13.007,88 79.856,89 17.006,90 0.671,91 1.578,92 38.884,93 11.058,94 68.555,95 13.89,96 0.533,97 1.499,98 38.483,99 11.075,100 49.188,101 13.638,102 0.487,103 1.324,104 32.202,105 9.003,106 43.612,107 11.771,108 28,109 50,110 0.289,111 0.627,112 0.771,113 0.863,114 0.863,115 0.863,116 3.531,117 0.988,118 -4.5,119 -4.42,120 -4.17,122 37.3,123 2,128 6,140 4,141 1,142 2,143 1,145 2,147 1,150 1,153 1,157 1,165 4,167 2,168 6,170 3,172 3,173 4,176 1,177 1,179 1,181 5,183 4,186 3,187 4,189 3,191 2,193 5,196 1,197 5,199 1,200 1,204 1,206 2,207 5,209 1,212 5,214 2,215 6,218 2,220 2,221 1,224 1,226 1,228 5,232 3,233 3,235 2,237 2,239 1,242 2001,243 22.195,244 22.195,245 22.195,246 22.195,247 22.195,248 19.929,249 32.957,250 13.115,251 23.048,252 17.742,253 17.742,254 17.742,255 17.742,256 17.742,257 14.303,258 53.106,259 6.184,260 19.239,261 4.101,262 2.018,263 1.131,264 0.568,265 0.568,266 0.568,267 4.224,268 1,271 1,272 1026,273 3.464,275 97.808,276 357.583,283 2.349,284 33.625,287 1,288 0.67,289 1,290 1,291 0.5,292 1,293 1,294 0.88,295 71.833,296 479,297 4.372,298 3.598,299 6.427,300 3.97,301 3.025,302 4.012,303 1.058,304 9.81,305 2.855,306 4.278,307 3.209,308 6.209,309 3.89,310 2.963,311 3.905,312 0.8,313 9.352,314 2.742,315 4.182,316 3.187,317 6.053,318 3.729,319 2.816,320 3.795,321 0.8,322 8.741,323 2.583,324 3.731,325 2.874,326 5.56,327 3.499,328 2.572,329 2.948,330 0.4,331 7.535,332 2.377,333 3.573,334 2.712,335 5.322,336 3.261,337 2.344,338 2.8,340 6.886,341 2.131,342 3.377,343 2.486,344 5.139,345 3.091,346 2.175,347 2.481,349 6.287,350 1.978,351 3.232,352 2.379,353 4.841,354 2.799,355 1.879,356 2.478,358 5.178,359 1.722,360 3.232,361 2.119,362 4.717,363 2.782,364 1.854,365 2.446,367 5.104,368 1.638,369 2.898,370 1.66,371 4.254,372 2.451,373 1.484,374 2.064,376 3.876,377 1.433,378 2.623,379 1.578,380 4.184,381 2.329,382 1.39,383 1.628,385 3.748,386 1.3,387 2.572,388 1.558,389 3.789,390 2.079,391 1.12,392 1.553,393 2.808,394 1.051,395 2.17,396 1.399,397 3.414,398 1.967,399 1.025,400 1.055,401 2.275,402 0.965,403 2.062,404 1.146,405 3.275,406 1.935,407 1,408 1.003,409 1.824,410 0.926,411 2,412 1.064,413 3.163,414 1.528,415 0.688,416 1,417 1.676,418 0.566,419 1.58,420 0.727,421 2.952,422 1.216,423 0.302,424 0.362,425 0.714,426 0.248,427 16.014,428 0.485,429 0.835,430 0.025,431 41.75,432 1.265,433 19,434 0.576,435 22.75,436 0.689,437 31.371,438 0.951,439 36.186,440 0.613,441 31.424,442 0.952,443 8.116,444 0.246,445 7.807,446 0.237,447 0.149,449 0.331,453 0.871,454 1.516,455 6.328}
{0 CHEMBL1614701,1 3.021,2 3.104,3 181.216,4 205.722,5 2.039,6 9.815,7 3.234,8 10.461,9 102.384,10 10.898,11 0.552,12 3.88,13 3.977,14 3.747,15 3.406,16 5.143,17 3.419,18 4.367,19 4.502,20 4.17,21 3.789,22 5.626,23 3.787,24 4.575,25 4.72,26 4.313,27 3.908,28 5.974,29 3.885,30 4.605,31 4.779,32 4.414,33 3.873,34 5.96,35 3.844,36 4.549,37 4.713,38 4.164,39 3.765,40 6.036,41 3.785,42 4.562,43 4.689,44 4.272,45 3.821,46 6.169,47 3.842,48 4.586,49 4.746,50 4.239,51 3.795,52 5.983,53 3.784,54 4.555,55 4.749,56 4.302,57 3.728,58 5.806,59 3.674,60 0.255,61 0.679,62 3.015,63 3.461,64 19.199,65 3.449,66 0.538,67 1.037,68 9.729,69 5.922,70 42.845,71 5.857,72 0.872,73 1.262,74 23.78,75 7.869,76 71.232,77 7.961,78 0.832,79 1.321,80 33.428,81 8.205,82 63.717,83 8.272,84 0.944,85 1.243,86 17.834,87 7.175,88 108.942,89 7.332,90 1.045,91 1.235,92 16.589,93 7.522,94 112.204,95 6.621,96 0.901,97 1.128,98 16.171,99 7.214,100 90.926,101 6.667,102 0.973,103 1.017,104 26.345,105 8.19,106 84.24,107 7.949,108 42,109 41,110 0.356,111 0.753,112 0.855,113 0.905,114 0.905,115 0.905,116 3.341,117 0.929,118 -4.17,119 -4.11,120 -3.89,121 1,122 40.5,127 1,128 2,140 4,141 1,142 5,144 1,150 1,153 1,155 1,163 1,165 2,167 1,168 2,170 1,172 3,173 4,176 1,177 4,179 1,181 5,183 3,187 2,189 2,190 2,193 3,196 1,199 3,201 1,204 4,206 2,207 2,209 2,211 2,212 3,214 1,215 8,220 4,221 1,224 6,227 1,230 1,233 2,235 1,237 1,242 1213,243 17.922,244 17.922,245 17.922,246 17.922,247 17.922,248 15.746,249 18.997,250 10.554,251 18.585,252 14.227,253 14.227,254 14.227,255 14.227,256 14.227,257 10.912,258 21.153,259 4.957,260 15.422,261 3.353,262 1.078,263 0.494,264 0.208,265 0.208,266 0.208,267 4.016,268 1,270 1,271 1,272 553,273 3.536,275 66.456,276 150.725,279 114.279,283 1.317,284 41.631,287 1,288 0.83,289 1,290 0.6,292 1,293 1,294 0.78,295 60.583,296 265,297 4.714,298 4.038,299 6.907,300 4.258,301 3.294,302 4.67,303 2.095,304 11.539,305 3.175,306 4.256,307 3.489,308 6.343,309 3.807,310 2.878,311 3.9,312 0.776,313 9.524,314 2.692,315 4.109,316 3.223,317 6.047,318 3.688,319 2.728,320 3.664,321 0.4,322 8.648,323 2.558,324 3.719,325 3.179,326 5.738,327 3.307,328 2.364,329 3.105,331 7.429,332 2.202,333 3.45,334 2.777,335 5.009,336 2.959,337 2.101,338 2.765,340 5.856,341 1.734,342 3.112,343 2.668,344 4.883,345 2.729,346 1.796,347 2.263,349 5.049,350 1.627,351 2.878,352 2.206,353 4.334,354 2.483,355 1.573,356 2.019,358 3.971,359 1.404,360 2.801,361 1.846,362 4.163,363 2.342,364 1.4,365 1.925,367 3.664,368 1.305,369 2.618,370 1.772,371 3.809,372 2.312,373 1.377,374 1.615,376 3.006,377 1.223,378 2.337,379 1.579,380 3.551,381 1.86,382 0.949,383 1.257,385 2.282,386 0.858,387 1.797,388 1.217,389 3.364,390 1.578,391 0.664,392 0.724,393 1.493,394 0.587,395 1.72,396 0.92,397 2.826,398 1.391,399 0.471,400 0.561,401 0.903,402 0.405,403 1.279,404 0.715,405 2.764,406 0.838,407 -0.006,408 -0.007,409 -0.014,410 -0.004,411 1.065,412 0.527,413 2.432,414 0.65,415 -0.266,416 -0.313,417 -0.551,418 -0.236,419 0.797,420 0.24,421 2.359,422 0.494,423 -0.44,424 -0.521,425 -0.847,426 -0.264,427 13.433,428 0.498,429 0.754,430 0.028,431 34,432 1.259,433 16,434 0.593,435 18,436 0.667,437 24.068,438 0.891,439 29.167,440 0.694,441 26.718,442 0.99,443 6.889,444 0.255,445 6.029,446 0.223,447 0.261,449 0.365,452 1,453 0.744,454 1.144,455 5}
{0 CHEMBL162,1 3.397,2 3.461,3 227.775,4 301.51,5 1.512,6 8.057,7 3.82,8 14.59,9 131.874,10 7.649,11 0.571,12 4.263,13 4.37,14 3.882,15 3.832,16 5.286,17 3.826,18 4.873,19 5.021,20 4.374,21 4.318,22 5.859,23 4.309,24 5.178,25 5.337,26 4.61,27 4.573,28 6.149,29 4.556,30 5.369,31 5.531,32 4.757,33 4.756,34 6.333,35 4.727,36 5.532,37 5.717,38 4.778,39 4.847,40 6.495,41 4.794,42 5.585,43 5.797,44 4.686,45 4.848,46 6.518,47 4.761,48 5.533,49 5.767,50 4.425,51 4.709,52 6.463,53 4.58,54 5.314,55 5.575,56 3.935,57 4.389,58 6.201,59 4.21,60 0.027,61 0.917,62 12.149,63 5.573,64 11.265,65 6.965,66 0.37,67 1.627,68 25.463,69 9.887,70 30.97,71 12.55,72 0.571,73 2.159,74 35.68,75 13.607,76 40.408,77 17.155,78 0.443,79 2.615,80 42.815,81 17.103,82 43.837,83 21.674,84 0.654,85 3.038,86 52.426,87 19.901,88 53.811,89 25.674,90 0.548,91 3.117,92 57.473,93 22.265,94 66.036,95 29.664,96 0.67,97 2.864,98 56.948,99 21.781,100 84.94,101 29.533,102 0.536,103 2.232,104 47.876,105 17.849,106 74.079,107 24.601,108 21,109 68,110 0.238,111 0.589,112 0.78,113 0.837,114 0.857,115 0.878,116 3.592,117 0.875,118 -3.69,119 -3.66,120 -3.48,122 45.9,123 1,124 1,127 2,128 1,129 2,130 1,132 1,140 8,141 6,150 4,153 1,165 13,167 2,168 11,170 1,172 3,173 14,176 3,177 12,179 1,181 2,183 13,187 16,189 3,191 3,193 17,196 2,197 15,199 2,201 2,204 19,206 1,207 13,211 10,212 18,214 1,215 8,218 1,220 10,221 12,224 4,226 1,228 2,230 10,232 1,233 1,235 1,236 1,239 4,242 1554,243 24.479,244 24.479,245 24.479,246 24.479,247 24.479,248 21.802,249 28.268,250 13.618,251 25.037,252 20.655,253 20.655,254 20.655,255 20.655,256 20.655,257 16.241,258 43.083,259 6.255,260 21.485,261 4.419,262 2.197,263 0.988,264 0.627,265 0.496,266 0.365,267 4.332,271 1,272 655,273 3.606,275 83.28,276 145.816,277 35.366,279 304.128,280 103.607,281 57.287,282 460.14,283 0.986,284 31.918,287 1,288 0.67,289 1,290 0.8,291 0.5,292 1,293 1,294 0.85,295 75,296 282,297 5.131,298 4.031,299 8.018,300 4.73,301 3.785,302 5.285,303 1.157,304 15.502,305 3.602,306 4.747,307 3.722,308 7.443,309 4.418,310 3.454,311 4.71,312 1.081,313 13.599,314 3.307,315 4.507,316 3.378,317 6.984,318 4.144,319 3.178,320 3.952,321 0.86,322 11.874,323 3.072,324 4.188,325 3.256,326 6.655,327 3.852,328 2.872,329 3.612,330 0.473,331 10.548,332 2.807,333 3.861,334 2.75,335 6.172,336 3.462,337 2.505,338 3.412,339 0.4,340 8.784,341 2.39,342 3.691,343 2.678,344 6.05,345 3.365,346 2.389,347 3.043,348 0.297,349 8.42,350 2.333,351 3.521,352 2.532,353 5.844,354 3.181,355 2.236,356 2.862,358 7.654,359 2.107,360 3.408,361 2.327,362 5.654,363 3.06,364 2.07,365 2.62,367 7.069,368 2.039,369 3.126,370 2.011,371 5.264,372 2.736,373 1.766,374 2.23,376 5.664,377 1.703,378 2.932,379 1.901,380 4.97,381 2.54,382 1.589,383 2.097,385 4.926,386 1.508,387 2.867,388 1.705,389 4.719,390 2.428,391 1.435,392 1.997,393 4.264,394 1.418,395 2.855,396 1.494,397 4.14,398 2.38,399 1.381,400 1.957,401 3.045,402 1.378,403 2.662,404 1.399,405 4.027,406 2.198,407 1.228,408 1.722,409 2.917,410 1.19,411 2.371,412 1.286,413 3.853,414 2.063,415 1.138,416 1.342,417 2.822,418 1.044,419 2.126,420 1.149,421 3.658,422 1.879,423 0.939,424 1.064,425 2.394,426 0.876,427 16.6,428 0.474,429 1.022,430 0.029,431 44.25,432 1.264,433 19.5,434 0.557,435 24.75,436 0.707,437 38.341,438 1.095,439 36.2,440 0.593,441 38.554,442 1.102,443 8.525,444 0.244,445 8.555,446 0.244,447 0.11,448 0.03,449 0.47,453 0.835,454 1.254,455 5.509}
{0 CHEMBL1721885,1 3.241,2 3.3,3 230.856,4 288.811,5 1.672,6 13.219,7 1.477,8 2.182,9 119.219,10 7.501,11 0.314,12 4.185,13 4.306,14 3.74,15 3.66,16 5.304,17 3.661,18 4.749,19 4.924,20 4.121,21 4.065,22 5.87,23 4.049,24 4.994,25 5.19,26 4.166,27 4.207,28 6.128,29 4.159,30 5.082,31 5.314,32 4.121,33 4.214,34 6.167,35 4.135,36 5.078,37 5.306,38 4.098,39 4.128,40 6.304,41 4.069,42 5.032,43 5.27,44 4.038,45 4.095,46 6.228,47 4.026,48 4.95,49 5.189,50 4.002,51 4.053,52 6.049,53 3.982,54 4.921,55 5.134,56 3.934,57 3.971,58 6.219,59 3.912,60 0.129,61 0.935,62 12.267,63 5.279,64 17.348,65 6.821,66 0.457,67 1.484,68 24.332,69 8.676,70 43.105,71 11.737,72 0.745,73 1.768,74 32.893,75 11.091,76 76.178,77 14.938,78 0.645,79 1.804,80 36.882,81 12.412,82 78.284,83 17.496,84 0.989,85 1.7,86 38.43,87 11.551,88 138.129,89 16.051,90 0.998,91 1.624,92 36.999,93 11.059,94 136.547,95 15.668,96 0.68,97 1.529,98 33.085,99 10.501,100 72.144,101 15.142,102 0.893,103 1.494,104 32.436,105 9.999,106 129.414,107 13.339,108 37,109 50,110 0.272,111 0.637,112 0.797,113 0.866,114 0.866,115 0.866,116 3.502,117 0.91,118 -2.31,119 -2.34,120 -2.31,122 39,123 2,128 6,129 1,135 1,136 1,140 3,141 3,142 2,150 2,153 2,165 6,168 2,170 2,172 8,173 7,176 1,177 3,179 1,180 1,181 6,183 8,187 4,189 2,190 1,191 3,193 7,197 3,199 2,200 1,201 4,204 5,206 1,207 4,209 1,211 5,212 4,215 3,218 1,219 1,220 5,221 4,223 1,224 3,226 3,227 1,228 2,230 3,232 1,233 3,237 2,239 1,242 1848,243 21.223,244 21.223,245 21.223,246 21.223,247 21.223,248 19.391,249 27.43,250 12.368,251 21.716,252 17.25,253 17.25,254 17.25,255 17.25,256 17.25,257 14.312,258 32.432,259 5.9,260 18.022,261 4.211,262 1.97,263 0.988,264 0.568,265 0.568,266 0.568,267 4.192,270 1,271 1,272 916,273 3.873,275 171.946,276 218.907,279 145.076,283 2.219,284 48.49,287 1,288 1,289 1,290 1,291 1,292 1,293 1,294 1,295 71.5,296 423,297 4.619,298 3.668,299 6.845,300 4.246,301 3.256,302 4.332,303 1.058,304 11.258,305 3.22,306 4.49,307 3.636,308 6.721,309 4.136,310 3.146,311 4.111,312 1.058,313 10.906,314 3.113,315 3.83,316 3.004,317 5.706,318 3.555,319 2.629,320 3.258,321 0.86,322 7.539,323 2.437,324 3.66,325 2.972,326 5.487,327 3.399,328 2.421,329 2.903,330 0.8,331 7.378,332 2.358,333 3.587,334 2.95,335 5.451,336 3.262,337 2.293,338 2.626,340 6.677,341 2.216,342 3.323,343 2.546,344 4.967,345 3.048,346 2.109,347 2.56,349 5.747,350 1.966,351 3.196,352 2.495,353 4.912,354 2.883,355 1.917,356 2.351,358 5.55,359 1.826,360 3.087,361 2.204,362 4.775,363 2.782,364 1.804,365 2.149,367 5.012,368 1.753,369 3.032,370 2.075,371 4.706,372 2.634,373 1.639,374 2.111,376 4.753,377 1.619,378 2.707,379 1.951,380 4.375,381 2.331,382 1.429,383 1.732,385 3.768,386 1.306,387 2.419,388 1.554,389 3.644,390 2.242,391 1.311,392 1.412,393 3.007,394 1.188,395 2.357,396 1.256,397 3.577,398 1.952,399 1,400 1.179,401 2.188,402 0.946,403 2,404 1.19,405 3.247,406 1.799,407 0.819,408 1,409 2.136,410 0.799,411 1.625,412 0.939,413 3.146,414 1.438,415 0.483,416 0.519,417 1.121,418 0.457,419 1.511,420 0.82,421 2.92,422 1.085,423 0.113,424 0.149,425 0.285,426 0.108,427 14.719,428 0.46,429 0.929,430 0.029,431 36.25,432 1.133,433 15,434 0.469,435 21.25,436 0.664,437 31.146,438 0.973,439 36.281,440 0.615,441 30.786,442 0.962,443 7.488,444 0.234,445 7.842,446 0.245,447 0.155,449 0.401,452 1,453 0.768,454 1.261,455 5}
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