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{1 0.255,2 1.257,3 2.852,4 1.888,5 1.888,6 46.045,8 5.369,9 3.275,10 2.5,11 2.5,12 3.185,13 3.523,14 3.523,15 0.05,16 1.93,17 0.924,18 6.344,19 6.344,20 4.916,21 6.106,22 54.818,23 0.358,24 2.931,25 3.66,26 3.323,27 2.334,28 2.334,29 0.675,30 3.934,31 7.429,32 3.97,33 3.821,34 2.3,35 2.647,36 3.992,37 4.135,38 4.126,39 2.007,40 1.696,41 12.667,42 4.447,43 48.321,44 3.347,45 161.775,46 199.334,47 2.862,49 6.046,50 11.092,51 99.63,52 3.997,53 3.835,54 1.664,55 8.98,56 3.537,57 3.585,58 12.3,59 55,60 3.236,61 2.91,62 2.906,63 323.43,64 5.89,65 3.255,66 0.667,67 4.186,68 4.156,69 3.168,70 3.127,71 3.168,72 1.994,73 1.994,74 5.02,75 5.962,76 5.73,77 3.306,78 1.685,79 8.128,80 50,81 6.101,82 17.836,83 17.836,84 10.87,85 10.87,86 8.483,87 8.483,88 2.807,89 2.964,90 1.446,91 8.731,92 2.929,93 8.581,94 6.817,95 0.333,96 4.061,97 4.179,98 3.566,99 3.597,100 3.566,101 4.694,102 4.864,103 4.094,104 5.595,105 4.032,106 5.057,107 5.271,108 4.333,109 4.236,110 5.231,111 5.464,112 4.374,113 6.161,114 4.253,115 5.218,116 5.478,117 4.28,118 4.144,119 5.1,120 5.36,121 4.156,122 4.007,123 4.931,124 5.217,125 3.684,126 4.74,127 5.009,128 3.501,129 3.745,130 5.664,131 3.623,132 0.041,133 0.75,134 12.22,135 5.265,136 9.755,137 7.061,138 0.273,139 1.333,140 24.191,141 9.385,142 29.874,143 13.037,144 0.283,145 1.809,146 35.527,147 13.477,148 37.941,149 18.998,150 0.628,151 43.691,152 15.141,153 85.467,154 21.65,155 0.528,156 1.886,157 43.91,158 14.711,159 66.029,160 21.086,161 0.646,162 39.221,163 13.107,164 66.472,165 18.823,166 0.382,167 1.426,168 32.559,169 11.584,170 38.543,171 17.113,172 0.347,173 1.105,174 27.536,175 42.909,176 12.721,177 12,178 45,179 0.243,180 0.598,181 0.821,182 0.897,183 0.903,184 0.903,185 0.976,186 -3.48,187 -3.46,188 -3.31,190 40.4,192 4,193 3,194 1,195 2,197 2,207 4,208 2,216 2,219 1,228 11,229 1,230 5,234 5,235 12,238 5,240 1,242 6,243 9,246 9,248 2,250 4,251 8,254 4,258 2,260 8,262 2,263 2,265 1,267 1,269 9,272 2,274 2,275 1,276 2,278 8,281 4,285 2,287 7,289 4,293 2,295 4,297 850,298 17.955,299 17.955,300 17.955,301 17.955,302 17.955,303 16.692,304 17.466,305 10.208,306 18.292,307 14.747,308 14.747,309 14.747,310 14.747,311 14.747,312 12.701,313 19.535,314 4.744,315 15.184,316 4.254,317 2.138,318 0.813,319 0.361,320 0.322,321 0.322,322 4.021,325 1,326 1,327 510,328 3,329 29.449,330 149.947,332 113.369,333 115.18,336 1.234,337 27.358,339 1,340 1,341 1,342 1,343 1,344 0.5,345 1,346 1,347 0.93,348 56,349 227,350 4.669,351 3.852,352 6.959,353 4.317,354 3.34,355 4.586,356 2.443,357 11.814,358 3.265,359 4.271,360 3.537,361 6.828,362 3.374,363 0.916,364 11.271,365 3.057,366 6.289,367 3.718,368 2.756,369 3.201,370 0.286,371 9.429,372 5.763,373 2.703,374 0.172,375 7.631,376 7.44}
{0 CHEMBL10873,1 0.336,2 1.322,3 2.053,4 1.075,5 1.075,6 37.848,8 4.443,9 3.161,10 2.402,11 2.402,12 3.073,13 3.439,14 3.441,15 0.053,16 1.69,17 0.837,18 4.344,19 4.344,20 4.725,21 5.933,22 45.714,23 0.105,24 2.713,25 3.591,26 3.301,27 2.327,28 2.327,29 0.542,30 3.727,31 7.245,32 3.53,33 3.316,34 2.229,35 2.294,36 3.7,37 3.817,38 3.776,39 1.024,40 1.637,41 11.167,42 3.362,43 37.144,44 3.263,45 125.976,46 151.947,47 2.5,49 5.59,50 10.795,51 78.213,52 3.28,53 3.203,54 0.807,55 4.458,56 3.582,57 2.737,58 9.767,59 52,60 3.118,61 2.689,62 2.696,63 249.64,64 5.632,65 3.149,66 0.468,67 4.014,68 3.792,69 2.827,70 2.73,71 2.827,72 1.732,73 1.732,74 4.887,75 5.486,76 5.276,77 3.105,78 1.172,79 7.498,80 36,81 5.69,82 14.983,83 14.983,84 8.169,85 8.169,86 5.448,87 5.448,88 2.609,89 2.71,90 1.646,91 8.286,92 2.236,93 5,94 8.067,95 0.478,96 3.679,97 3.797,98 3.315,99 3.192,100 3.204,101 4.176,102 4.344,103 3.562,104 5.37,105 3.561,106 4.372,107 4.543,108 3.665,109 3.667,110 4.492,111 4.684,112 3.61,113 5.959,114 3.628,115 4.301,116 4.49,117 3.542,118 3.503,119 4.306,120 4.535,121 3.438,122 3.373,123 4.062,124 4.267,125 3.137,126 4.005,127 4.264,128 2.765,129 3.069,130 5.102,131 2.939,132 0.054,133 0.555,134 6.043,135 2.714,136 7.685,137 3.415,138 0.322,139 0.871,140 11.825,141 4.362,142 13.442,143 5.797,144 0.238,145 0.995,146 14.787,147 5.606,148 28.144,149 7.318,150 0.703,151 19.269,152 5.023,153 95.483,154 6.241,155 0.284,156 0.881,157 14.471,158 5.078,159 42.469,160 6.567,161 0.389,162 16.987,163 5.302,164 58.024,165 6.897,166 0.196,167 0.662,168 11.848,169 4.368,170 26.633,171 5.708,172 0.251,173 0.549,174 13.265,175 36.605,176 6.08,177 19,178 33,179 0.299,180 0.666,181 0.791,182 0.83,183 0.844,184 0.844,185 0.847,186 -3.89,187 -3.85,188 -3.65,190 42.9,194 1,195 1,201 1,202 1,207 5,208 1,212 1,216 1,219 1,220 1,222 1,228 7,229 5,230 2,232 1,234 1,235 6,238 3,240 3,242 2,243 3,245 5,246 6,250 2,254 8,256 1,258 2,263 8,267 1,272 8,278 1,281 4,287 3,289 1,295 4,297 472,298 14.198,299 14.198,300 14.198,301 14.198,302 14.198,303 12.638,304 13.924,305 8.335,306 14.468,307 11.273,308 11.273,309 11.273,310 11.273,311 11.273,312 8.731,313 17.433,314 3.846,315 11.7,316 3.483,317 1.463,318 0.775,319 0.557,320 0.479,321 0.479,322 3.779,325 1,326 1,327 369,328 2.449,329 40.914,330 114.062,332 77.717,336 1.279,337 25.959,339 1,340 1,341 1,342 1,343 0.6,345 1,346 1,347 0.8,348 46,349 174,350 4.61,351 3.983,352 6.968,353 4.283,354 3.332,355 4.235,356 1.766,357 11.703,358 3.164,359 4.144,360 3.385,361 6.228,362 3.607,363 1.104,364 9.276,365 3.002,366 5.908,367 3.342,368 2.388,369 3.077,370 0.554,371 8.008,372 5.842,373 2.749,374 0.437,375 7.577,376 6.759}
{0 CHEMBL120055,1 0.269,2 1.38,3 2.464,4 1.49,5 1.49,6 45.89,8 5.099,9 3.347,10 2.672,11 2.672,12 3.307,13 3.597,14 3.581,15 0.041,16 2.018,17 0.882,18 5.92,19 5.92,20 4.97,21 6.155,22 60.637,23 0.283,24 3.111,25 3.767,26 3.311,27 2.367,28 2.367,29 0.606,30 3.951,31 7.454,32 3.854,33 3.68,34 2.232,35 2.638,36 3.976,37 4.038,38 3.943,39 1.672,40 1.713,41 14.5,42 4.527,43 49.322,44 3.46,45 165.001,46 193.029,47 2.769,49 5.962,50 12.492,51 116.276,52 3.825,53 3.708,54 1.439,55 8.118,56 3.695,57 3.414,58 13.767,59 61.167,60 3.424,61 3.022,62 2.998,63 364.78,64 5.893,65 3.423,66 0.539,67 4.264,68 3.963,69 3.007,70 2.879,71 3.007,72 2.096,73 2.096,74 5.158,75 5.803,76 5.635,77 3.407,78 1.5,79 8.378,80 45,81 5.928,82 20.217,83 20.217,84 10.765,85 10.765,86 7.035,87 7.035,88 2.744,89 3.063,90 1.471,91 13.207,92 3.129,93 9.79,94 6.887,95 0.5,96 4.131,97 4.264,98 3.635,99 3.643,100 3.615,101 4.688,102 4.88,103 4.043,104 5.642,105 3.991,106 4.941,107 5.159,108 4.2,109 4.111,110 5.003,111 5.227,112 4.216,113 5.907,114 4.095,115 5.063,116 5.323,117 4.135,118 3.992,119 4.959,120 5.24,121 3.976,122 3.834,123 4.716,124 4.982,125 3.612,126 4.603,127 4.839,128 3.619,129 3.748,130 5.635,131 3.653,132 0.049,133 0.846,134 12.976,135 5.108,136 9.403,137 7.192,138 0.247,139 1.356,140 24.123,141 8.363,142 21.65,143 12.14,144 0.475,145 1.627,146 31.932,147 11.095,148 42.894,149 15.996,150 0.268,151 33.808,152 12.408,153 37.472,154 17.689,155 0.468,156 1.634,157 37.248,158 12.881,159 56.664,160 18.588,161 0.465,162 34.247,163 10.859,164 48.174,165 16.062,166 0.302,167 1.189,168 26.235,169 8.674,170 35.602,171 12.825,172 0.25,173 1.065,174 23.088,175 37.068,176 11.513,177 12,178 44,179 0.241,180 0.571,181 0.743,182 0.832,183 0.861,184 0.861,185 0.953,186 -3.04,187 -3.04,188 -2.92,190 40.4,191 1,192 1,195 6,207 7,208 3,209 2,215 1,216 1,219 1,224 1,225 1,226 1,228 9,229 1,230 4,234 4,235 9,236 1,237 3,238 5,242 4,243 8,244 1,246 2,250 1,251 3,252 1,253 1,254 7,256 1,257 1,258 1,259 1,260 1,261 1,262 1,263 7,267 1,270 1,272 5,273 1,274 1,276 1,279 1,281 9,283 2,289 6,297 1360,298 19.938,299 19.938,300 19.938,301 19.938,302 19.938,303 17.9,304 21.003,305 11.853,306 20.325,307 15.746,308 15.746,309 15.746,310 15.746,311 15.746,312 12.614,313 24.173,314 5.516,315 16.358,316 4.362,317 2.342,318 1.292,319 0.75,320 0.575,321 0.575,322 4.106,326 1,327 836,328 3.317,329 76.765,330 288.912,332 133.453,336 2.076,337 22.463,340 1,341 1,342 1,343 0.8,344 0.5,345 1,346 1,347 0.9,348 62,349 383,350 4.55,351 3.742,352 6.546,353 4.076,354 3.092,355 4.504,356 2.055,357 10.36,358 3.043,359 4.273,360 3.219,361 6.451,362 3.839,363 0.933,364 9.941,365 3.181,366 6.017,367 3.716,368 2.754,369 3.175,370 0.8,371 8.537,372 5.316,373 3.051,374 0.51,375 6.857,376 5}
{0 CHEMBL15245,1 0.255,2 1.257,3 2.852,4 1.888,5 1.888,6 46.045,8 5.369,9 3.275,10 2.5,11 2.5,12 3.185,13 3.523,14 3.523,15 0.05,16 1.93,17 0.924,18 6.344,19 6.344,20 4.916,21 6.106,22 54.818,23 0.358,24 2.931,25 3.66,26 3.323,27 2.334,28 2.334,29 0.675,30 3.934,31 7.429,32 3.97,33 3.821,34 2.3,35 2.647,36 3.992,37 4.135,38 4.126,39 2.007,40 1.696,41 12.667,42 4.447,43 48.321,44 3.347,45 161.775,46 199.334,47 2.862,49 6.046,50 11.092,51 99.63,52 3.997,53 3.835,54 1.664,55 8.98,56 3.537,57 3.585,58 12.3,59 55,60 3.236,61 2.91,62 2.906,63 323.43,64 5.89,65 3.255,66 0.667,67 4.186,68 4.156,69 3.168,70 3.127,71 3.168,72 1.994,73 1.994,74 5.02,75 5.962,76 5.73,77 3.306,78 1.685,79 8.128,80 50,81 6.101,82 17.836,83 17.836,84 10.87,85 10.87,86 8.483,87 8.483,88 2.807,89 2.964,90 1.446,91 8.731,92 2.929,93 8.581,94 6.817,95 0.333,96 4.061,97 4.179,98 3.566,99 3.597,100 3.566,101 4.694,102 4.864,103 4.094,104 5.595,105 4.032,106 5.057,107 5.271,108 4.333,109 4.236,110 5.231,111 5.464,112 4.374,113 6.161,114 4.253,115 5.218,116 5.478,117 4.28,118 4.144,119 5.1,120 5.36,121 4.156,122 4.007,123 4.931,124 5.217,125 3.684,126 4.74,127 5.009,128 3.501,129 3.745,130 5.664,131 3.623,132 0.041,133 0.75,134 12.22,135 5.265,136 9.755,137 7.061,138 0.273,139 1.333,140 24.191,141 9.385,142 29.874,143 13.037,144 0.283,145 1.809,146 35.527,147 13.477,148 37.941,149 18.998,150 0.628,151 43.691,152 15.141,153 85.467,154 21.65,155 0.528,156 1.886,157 43.91,158 14.711,159 66.029,160 21.086,161 0.646,162 39.221,163 13.107,164 66.472,165 18.823,166 0.382,167 1.426,168 32.559,169 11.584,170 38.543,171 17.113,172 0.347,173 1.105,174 27.536,175 42.909,176 12.721,177 12,178 45,179 0.243,180 0.598,181 0.821,182 0.897,183 0.903,184 0.903,185 0.976,186 -3.48,187 -3.46,188 -3.31,190 40.4,192 4,193 3,194 1,195 2,197 2,207 4,208 2,216 2,219 1,228 11,229 1,230 5,234 5,235 12,238 5,240 1,242 6,243 9,246 9,248 2,250 4,251 8,254 4,258 2,260 8,262 2,263 2,265 1,267 1,269 9,272 2,274 2,275 1,276 2,278 8,281 4,285 2,287 7,289 4,293 2,295 4,297 850,298 17.955,299 17.955,300 17.955,301 17.955,302 17.955,303 16.692,304 17.466,305 10.208,306 18.292,307 14.747,308 14.747,309 14.747,310 14.747,311 14.747,312 12.701,313 19.535,314 4.744,315 15.184,316 4.254,317 2.138,318 0.813,319 0.361,320 0.322,321 0.322,322 4.021,325 1,326 1,327 510,328 3,329 29.449,330 149.947,332 113.369,333 115.18,336 1.234,337 27.358,339 1,340 1,341 1,342 1,343 1,344 0.5,345 1,346 1,347 0.93,348 56,349 227,350 4.669,351 3.852,352 6.959,353 4.317,354 3.34,355 4.586,356 2.443,357 11.814,358 3.265,359 4.271,360 3.537,361 6.828,362 3.374,363 0.916,364 11.271,365 3.057,366 6.289,367 3.718,368 2.756,369 3.201,370 0.286,371 9.429,372 5.763,373 2.703,374 0.172,375 7.631,376 7.77}
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{0 CHEMBL183,1 0.286,2 1.165,3 2.277,4 1.276,5 1.276,6 45.782,8 4.473,9 2.876,10 1.915,11 1.915,12 3.168,13 3.427,14 3.438,15 0.052,16 1.634,17 0.945,18 4.402,19 4.402,20 4.656,21 5.826,22 41.892,23 0.094,24 2.857,25 3.61,26 3.348,27 2.368,28 2.368,29 0.504,30 3.638,31 7.136,32 3.765,33 3.59,34 2.273,35 2.318,36 3.769,37 3.861,38 3.917,39 1.236,40 1.654,41 11.667,42 3.578,43 38.182,44 3.402,45 130.309,46 157.28,47 2.254,49 5.845,50 11.303,51 82.713,52 3.775,53 3.639,54 1.148,55 8.197,56 3.565,57 2.913,58 10.267,59 49.167,60 3.404,61 2.671,62 2.649,63 288.4,64 5.754,65 3.393,66 0.599,67 4.111,68 3.804,69 2.838,70 2.743,71 2.838,72 1.685,73 1.685,74 4.874,75 5.749,76 5.635,77 3.148,78 1.162,79 7.653,80 36,81 5.714,82 15.69,83 15.69,84 8.262,85 8.262,86 5.423,87 5.423,88 2.731,89 2.659,90 1.523,91 7.682,92 3.093,93 9.565,94 6.618,95 0.208,96 3.912,97 4.055,98 3.38,99 3.373,100 3.342,101 4.532,102 4.747,103 3.805,104 5.452,105 3.736,106 4.812,107 5.076,108 3.894,109 3.817,110 4.804,111 5.052,112 3.85,113 6.001,114 3.819,115 4.7,116 4.905,117 3.853,118 3.797,119 4.726,120 4.952,121 3.822,122 3.729,123 4.69,124 4.934,125 3.423,126 4.68,127 4.965,128 2.992,129 3.65,130 5.511,131 3.43,132 0.017,133 0.697,134 10.992,135 3.965,136 4.564,137 6.059,138 0.328,139 1.12,140 21.422,141 7.031,142 19.168,143 10.862,144 0.307,145 1.278,146 28.933,147 8.095,148 32.493,149 13.297,150 0.689,151 29.806,152 6.691,153 84.59,154 11.455,155 0.414,156 1.187,157 26.237,158 6.841,159 58.728,160 10.939,161 0.445,162 27.051,163 7.139,164 57.313,165 11.326,166 0.332,167 1.067,168 25.687,169 7.719,170 44.068,171 11.877,172 0.368,173 0.918,174 25.555,175 53.744,176 12.29,177 25,178 34,179 0.266,180 0.481,181 0.675,182 0.755,183 0.778,184 0.801,185 1.05,186 -3.79,187 -3.76,188 -3.57,190 34.8,191 2,192 6,193 1,195 2,211 1,217 1,219 1,220 1,222 1,228 7,229 4,230 3,232 2,234 1,235 5,237 3,238 4,242 2,245 2,246 8,248 3,250 3,253 1,254 11,258 1,263 10,267 1,269 2,272 7,276 1,278 6,281 2,287 8,295 6,297 540,298 15.069,299 15.069,300 15.069,301 15.069,302 15.069,303 14.351,304 19.439,305 8.983,306 15.339,307 11.759,308 11.759,309 11.759,310 11.759,311 11.759,312 10.404,313 22.931,314 4.061,315 12.207,316 4.001,317 2.773,318 1.664,319 1.207,320 1.076,321 0.946,322 3.822,325 1,326 1,327 356,328 2.828,329 99.165,330 55.42,332 83.427,336 1.227,337 27.132,338 1,339 1,340 1,341 1,342 1,343 1,344 1,345 1,346 1,347 1,348 48,349 169,350 4.609,351 3.988,352 7.001,353 4.295,354 3.345,355 4.196,356 1.761,357 11.881,358 3.174,359 4.038,360 3.395,361 6.23,362 3.311,363 1.083,364 9.293,365 3.142,366 5.976,367 3.37,368 2.424,369 2.815,370 0.526,371 8.198,372 5.874,373 2.692,374 0.064,375 7.854,376 6.73}
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{0 CHEMBL62350,1 0.327,2 1.327,3 2,4 1,5 1,6 30.992,8 4.433,9 3.148,10 2.385,11 2.385,12 2.806,13 3.251,14 3.211,15 0.05,16 1.677,17 0.692,18 4.312,19 4.312,20 4.642,21 5.867,22 42.467,23 0.105,24 2.722,25 3.476,26 3.274,27 2.324,28 2.324,29 0.58,30 3.707,31 7.191,32 3.249,33 3.042,34 2.193,35 2.281,36 3.634,37 3.738,38 3.605,39 0.882,40 1.607,41 10.167,42 3.064,43 34.155,44 3.146,45 117.643,46 142.614,47 2.331,49 5.335,50 9.93,51 67.74,52 2.998,53 2.948,54 0.577,55 3.303,56 3.568,57 2.409,58 8.767,59 47.5,60 2.999,61 2.496,62 2.508,63 217.68,64 5.586,65 3.013,66 0.372,67 3.919,68 3.781,69 2.814,70 2.722,71 2.814,72 1.718,73 1.718,74 4.783,75 5.081,76 5.024,77 3.012,78 1.016,79 7.208,80 33,81 5.645,82 13.569,83 13.569,84 7.855,85 7.855,86 4.754,87 4.754,88 2.597,89 2.696,90 1.692,91 7.158,92 1.342,93 1.8,94 8.267,95 0.524,96 3.575,97 3.693,98 3.233,99 3.072,100 3.096,101 4.082,102 4.256,103 3.457,104 5.29,105 3.47,106 4.244,107 4.397,108 3.547,109 3.564,110 4.367,111 4.552,112 3.468,113 5.826,114 3.474,115 4.158,116 4.379,117 3.323,118 3.261,119 3.97,120 4.205,121 3.134,122 3.072,123 3.766,124 3.956,125 2.939,126 3.729,127 3.954,128 2.529,129 2.803,130 4.937,131 2.686,132 0.07,133 0.507,134 5.126,135 2.32,136 5.109,137 2.869,138 0.34,139 0.792,140 10.688,141 3.774,142 11.893,143 4.985,144 0.246,145 0.884,146 11.96,147 4.739,148 22.304,149 5.961,150 0.692,151 16.485,152 4.394,153 89.384,154 5.301,155 0.323,156 0.731,157 13.333,158 4.286,159 37.102,160 5.789,161 0.267,162 11.914,163 3.831,164 31.808,165 5.163,166 0.175,167 0.479,168 8.525,169 3.239,170 17.448,171 4.066,172 0.214,173 0.406,174 9.331,175 27.136,176 4.245,177 17,178 31,179 0.317,180 0.658,181 0.711,182 0.769,183 0.822,184 0.822,185 0.829,186 -3.04,187 -3.04,188 -2.93,190 41.9,194 2,207 5,208 1,211 1,217 1,219 1,220 1,222 1,228 6,229 4,230 1,232 2,234 1,235 6,237 3,238 2,242 2,243 3,245 2,246 3,248 3,250 2,253 1,254 5,258 1,263 7,272 7,281 4,289 1,297 315,298 12.621,299 12.621,300 12.621,301 12.621,302 12.621,303 11.19,304 11.426,305 7.187,306 12.89,307 10.288,308 10.288,309 10.288,310 10.288,311 10.288,312 7.936,313 14.537,314 3.384,315 10.689,316 3.262,317 1.443,318 1.157,319 0.847,320 0.565,321 0.565,322 3.682,326 1,327 291,328 2,329 34.492,330 99.141,332 67.023,336 1.114,337 23.329,340 1,341 1,342 1,343 0.6,345 1,346 1,347 0.8,348 42,349 136,350 4.604,351 3.968,352 6.94,353 4.271,354 3.32,355 4.233,356 1.761,357 11.56,358 3.154,359 4.134,360 3.385,361 6.194,362 3.602,363 1.083,364 9.135,365 2.992,366 5.845,367 3.317,368 2.337,369 3.052,370 0.526,371 7.663,372 5.834,373 2.743,374 0.064,375 7.555,376 5.959}
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