Spreadsheet: 149059a4-310a-40c6-b16e-74b312011a0a
Sheet: Sheet1

HIA-exp(%) | NAME | WEIGHT | HDON | HACC | XLOGP | TPSA | ASA | POLARIZ | LOGS | N_atoms | #ViolationsRo5 | #ViolationsExtRo5 | IsViolatingRo5 | IsViolatingExtRo5 | NSTEREO | COMPLEXITY | Ring_complexity | CHI0 | CHI1 | KAPPA1 | KAPPA2 | KAPPA3 | RANDIC | WIENER | 2DACorr_Ident_1 | 2DACorr_SigChg_1 | 2DACorr_SigChg_3 | 2DACorr_SigChg_4 | 2DACorr_SigChg_5 | 2DACorr_SigChg_6 | 2DACorr_SigChg_7 | 2DACorr_PiChg_1 | 2DACorr_PiChg_2 | 2DACorr_PiChg_3 | 2DACorr_PiChg_4 | 2DACorr_PiChg_5 | 2DACorr_PiChg_6 | 2DACorr_PiChg_7 | 2DACorr_TotChg_1 | 2DACorr_TotChg_2 | 2DACorr_TotChg_3 | 2DACorr_TotChg_4 | 2DACorr_TotChg_5 | 2DACorr_TotChg_6 | 2DACorr_TotChg_7 | 2DACorr_SigEN_1 | 2DACorr_PiEN_1 | 2DACorr_PiEN_3 | 2DACorr_PiEN_6 | 2DACorr_LpEN_1 | 2DACorr_LpEN_3 | 2DACorr_LpEN_4 | 2DACorr_LpEN_5 | 2DACorr_LpEN_6 | 2DACorr_LpEN_7 | 2DACorr_Polariz_1
0 | Arbekacin | 552.619 | 16 | 16 | -6.58958 | 297.27 | 731.795 | 52.873 | 1.36162 | 82 | 3 | 3 | 1 | 1 | 14 | 757.412 | 1 | 28.1455 | 18.0137 | 32.5138 | 14.759 | 10.1047 | 18.0137 | 4560 | 82 | 2.50218 | -0.50079 | 1.36762 | -0.912811 | 0.144781 | 0.146231 | 0.0650535 | -0.0111429 | -0.0213839 | 2.61782e-16 | -1.0949e-15 | -7.78428e-16 | 1.56346e-15 | 2.66984 | -1.42054 | -0.504722 | 1.39755 | -1.03277 | 0.182283 | 0.191298 | 5753.66 | 241.741 | 81.783 | 179.577 | 148.076 | 40.5306 | 146.047 | 76.6892 | 123.693 | 100.195 | 3188.12
0 | [NAME] | 461.493 | 4 | 11 | 0.265073 | 148.15 | 561.199 | 45.254 | -3.41642 | 55 | 1 | 1 | 1 | 1 | 4 | 844.337 | 1.11111 | 23.2064 | 15.1139 | 25.1037 | 10.7266 | 9.65237 | 15.1139 | 2922 | 55 | 1.34531 | 0.525526 | 0.0364581 | -0.435967 | 0.314543 | 0.00190739 | 0.436351 | -0.043465 | -0.135633 | -0.0502221 | -0.0459588 | 0.0904148 | -0.0302929 | 2.3814 | -1.37538 | 0.742227 | -0.369161 | -0.71951 | 0.878592 | -0.282466 | 4577.9 | 865.821 | 699.873 | 981.304 | 196.393 | 158.916 | 121.372 | 103.86 | 124.28 | 88.9941 | 2986.86
0 | Cefodizime | 584.673 | 5 | 13 | -0.47636 | 197.4 | 641.774 | 54.69 | -4.06918 | 57 | 2 | 2 | 1 | 1 | 2 | 996.143 | 1.11111 | 26.8526 | 17.5995 | 29.97 | 14.0625 | 12.8089 | 17.5995 | 4854 | 57 | 1.59801 | 0.339969 | -0.0388076 | -0.156927 | -0.0166435 | 0.229828 | 0.347933 | -0.0564351 | -0.102186 | 0.000230402 | -0.0363468 | 0.0554193 | -0.0650368 | 2.4468 | -1.43176 | 0.497309 | -0.167402 | -0.197143 | 0.167328 | -0.193291 | 5099.66 | 1183.82 | 1214.02 | 1452.08 | 334.355 | 182.875 | 130.56 | 205.682 | 267.694 | 280.734 | 3599.31
0 | Gentamicin_C1a | 448.554 | 10 | 11 | -2.49125 | 187.7 | 631.487 | 45.015 | -0.494198 | 71 | 2 | 2 | 1 | 1 | 12 | 589.732 | 1 | 22.9219 | 14.5838 | 25.6198 | 10.5081 | 7.5 | 14.5838 | 2700 | 71 | 1.72326 | -0.390092 | 0.969157 | -0.552182 | -0.0458542 | 0.15976 | 3.55733e-29 | -1.37185e-29 | 1.56207e-29 | -9.89693e-30 | -6.74831e-30 | 1.06554e-29 | -1.4286e-29 | 1.72326 | -0.904177 | -0.390092 | 0.969157 | -0.552182 | -0.0458542 | 0.15976 | 4697.46 | 97.713 | 27.6679 | 59.1945 | 97.713 | 27.6679 | 94.7844 | 49.0147 | 59.1945 | 50.8754 | 2722.1
0 | Lucifer_Yellow_CH | 460.401 | 9 | 15 | -1.43462 | 251.32 | 437.765 | 41.125 | -4.34448 | 42 | 2 | 2 | 1 | 1 | 0 | 741.889 | 1.38462 | 22.5935 | 13.7681 | 24.6387 | 8.74125 | 6.29251 | 13.7681 | 2174 | 42 | 1.58479 | 0.271027 | 0.219325 | 0.235706 | -1.2788 | 1.24048 | 3.61327 | 0.615034 | 1.15493 | -0.535958 | -0.0585296 | -0.190246 | -0.278044 | 5.96857 | -1.51967 | 3.34212 | -1.44496 | 0.265544 | -2.35405 | 2.89129 | 4544.4 | 1790 | 2370.83 | 2809.04 | 1096.01 | 359.382 | 407.704 | 304.704 | 448.184 | 949.901 | 3159.45
0 | Meropenem | 383.464 | 3 | 8 | -0.617347 | 110.18 | 499.883 | 38.292 | -1.59516 | 51 | 0 | 0 | 0 | 0 | 6 | 654.8 | 1.16667 | 19.334 | 12.1456 | 20.727 | 8.56633 | 7.16495 | 12.1456 | 1652 | 51 | 1.06864 | 0.0452195 | 0.202285 | -0.150302 | 0.0167647 | -0.0392402 | 0.182526 | -0.0293658 | -0.0514968 | -0.00688899 | -0.0252634 | 0.0200283 | 4.44645e-05 | 1.52005 | -0.837787 | 0.148595 | 0.11315 | -0.328829 | 0.184096 | -0.101138 | 3845.01 | 513.593 | 397.557 | 328.082 | 140.886 | 55.6743 | 83.7629 | 71.1773 | 91.8167 | 31.3512 | 2556.84
0 | Mezlocillin | 539.584 | 3 | 13 | 0.00399417 | 173.5 | 636.086 | 51.363 | -3.96452 | 61 | 2 | 2 | 1 | 1 | 4 | 971.954 | 1.11111 | 26.5766 | 16.7359 | 28.9941 | 11.6231 | 10.2521 | 16.7359 | 4071 | 61 | 1.42818 | 0.640907 | -0.138697 | -0.315097 | 0.134534 | 0.272909 | 0.712671 | -0.188102 | -0.0756781 | -0.160129 | 0.0649618 | -0.0569182 | 0.0630929 | 3.13405 | -1.85619 | 1.21798 | -1.02085 | -0.148269 | 0.0891103 | 0.516404 | 5339.82 | 1167.97 | 930.237 | 1230.05 | 406.277 | 211.928 | 227.025 | 165.434 | 210.998 | 135.66 | 3515.31
0 | Netilmicin | 475.58 | 11 | 12 | -3.11731 | 199.73 | 663.36 | 48.009 | -0.304862 | 74 | 2 | 2 | 1 | 1 | 11 | 660.738 | 1 | 24.3361 | 15.6218 | 27.5853 | 11.8231 | 8.27348 | 15.6218 | 3140 | 74 | 1.85464 | -0.434527 | 1.06967 | -0.674801 | 0.0760375 | 0.145678 | 0.00783419 | -0.000865029 | -0.00305207 | 7.11405e-17 | -6.87143e-18 | 4.69051e-17 | -1.61229e-16 | 1.84507 | -0.975623 | -0.432073 | 1.08004 | -0.664322 | 0.059951 | 0.126799 | 4959.62 | 193.05 | 82.6775 | 80.801 | 108.671 | 31.4476 | 103.85 | 49.6249 | 70.3348 | 57.2497 | 2907.59
0 | Pentamidine | 340.42 | 6 | 6 | 3.85995 | 118.2 | 477.13 | 39.035 | -5.21267 | 49 | 1 | 1 | 1 | 1 | 0 | 365.473 | 1 | 18.0707 | 12.0586 | 21.3018 | 11.6584 | 11.3438 | 12.0586 | 2120 | 49 | 0.885055 | 0.254777 | -0.102636 | -0.122285 | -0.309127 | 0.768571 | 0.227256 | -0.0668831 | -0.0195239 | -0.0347402 | 0.0283098 | -0.00589449 | -0.0133446 | 1.32221 | -0.887538 | 0.55059 | -0.33713 | 0.0931569 | -0.571121 | 0.892387 | 3387.48 | 672.674 | 840.123 | 212.864 | 67.8217 | 4.49958 | 0 | 0 | 0 | 57.3604 | 1992.42
0 | Raffinose | 504.437 | 11 | 16 | -6.37038 | 268.68 | 600.519 | 41.674 | 2.46946 | 66 | 3 | 3 | 1 | 1 | 14 | 655.443 | 1 | 25.3695 | 16.0053 | 28.5694 | 11.5885 | 7.51337 | 16.0053 | 3503 | 66 | 2.9676 | -0.921151 | 1.6782 | -0.913849 | 0.26398 | -0.171901 | 3.34457e-29 | -7.31295e-30 | 4.79768e-30 | -8.44568e-30 | -1.02609e-30 | -1.10832e-30 | 1.898e-30 | 2.9676 | -1.4618 | -0.921151 | 1.6782 | -0.913849 | 0.26398 | -0.171901 | 4995.3 | 192.796 | 44.2149 | 162.134 | 192.796 | 44.2149 | 233.556 | 145 | 162.134 | 105.957 | 2321.43
0 | Streptozocin | 265.221 | 5 | 10 | -2.04581 | 151.92 | 337.106 | 22.185 | -0.0440987 | 33 | 0 | 0 | 0 | 0 | 5 | 315.066 | 1 | 13.8699 | 8.41712 | 16.0556 | 6.9632 | 4.56599 | 8.41712 | 609 | 33 | 1.23169 | 0.0132574 | 0.386682 | -0.561324 | 0.471954 | -0.175952 | 0.159504 | -0.00802991 | -0.0861428 | 0.00151734 | 0.0129031 | 2.43781e-16 | -6.68293e-17 | 1.53457 | -0.78621 | -0.024611 | 0.30671 | -0.6560280000000001 | 0.594145 | -0.168681 | 2880.63 | 366.282 | 224.534 | 193.414 | 188.99 | 102.839 | 114.146 | 89.8448 | 124.657 | 98.4245 | 1062.75
0 | Tobramycin | 467.515 | 15 | 14 | -6.04683 | 268.17 | 606.862 | 43.97 | 1.46226 | 69 | 2 | 2 | 1 | 1 | 14 | 609.188 | 1 | 23.7398 | 15.0818 | 26.6021 | 11.16 | 7.49785 | 15.0818 | 2932 | 69 | 2.26652 | -0.52219 | 1.22328 | -0.630034 | -0.0147416 | 0.175781 | 7.34487e-29 | 9.2715e-30 | 8.46332e-30 | -2.74841e-30 | -6.2747e-30 | -1.94882e-29 | -1.46136e-29 | 2.26652 | -1.20467 | -0.52219 | 1.22328 | -0.630034 | -0.0147416 | 0.175781 | 4790.05 | 121.565 | 27.963 | 94.4295 | 121.565 | 27.963 | 124.482 | 68.972 | 94.4295 | 64.2478 | 2634.61
0 | Vancomycin | 1449.25 | 21 | 33 | -1.36469 | 530.49 | 1710.94 | 141.579 | -10.2458 | 176 | 3 | 4 | 1 | 1 | 18 | 2957.51 | 1.3871 | 73.5393 | 47.6562 | 83.4711 | 36 | 23.7717 | 47.6562 | 52810 | 176 | 5.12397 | -0.207086 | 2.03679 | -2.24942 | 0.700805 | 0.837792 | 0.522412 | -0.0917539 | -0.110077 | -0.0105325 | -0.216963 | 0.201612 | 0.0659945 | 6.25718 | -3.45381 | 0.320147 | 1.59821 | -3.27894 | 1.99907 | 0.551247 | 13976.4 | 2379.42 | 2540.19 | 5401.47 | 518.816 | 137.395 | 425.236 | 184.005 | 475.697 | 598.55 | 11097.9
1 | Alendronic_acid | 249.096 | 7 | 8 | -2.80175 | 161.31 | 290.046 | 17.774 | 1.07489 | 27 | 1 | 1 | 1 | 1 | 0 | 184.129 | 0 | 11.6213 | 6.06066 | 14 | 4.2449 | 2.99433 | 6.06066 | 281 | 27 | 1.76822 | 0.530111 | -0.356927 | 0.753214 | -0.889075 | 0.842819 | 0.153171 | -0.0586379 | 0.0113714 | -0.0586379 | 0.0293189 | 2.853e-15 | -1.93903e-15 | 2.41618 | -1.79261 | 0.915591 | -0.901903 | 1.22681 | -1.14615 | 1.00636 | 2346.73 | 408.644 | 386.991 | 26.848 | 101.892 | 85.162 | 78.2249 | 129.117 | 5.02788 | 33.1958 | 818.084
1 | Aztreonam | 435.435 | 5 | 13 | -1.36459 | 201.58 | 501.246 | 38.331 | -2.48673 | 45 | 1 | 1 | 1 | 1 | 2 | 677.805 | 1 | 21.4388 | 12.7527 | 24.2711 | 9.87128 | 9.5805 | 12.7527 | 2092 | 45 | 1.44966 | 0.464532 | -0.211304 | 0.214481 | -0.0643093 | -0.413796 | 0.543324 | -0.19421 | -0.0167306 | -0.142022 | 0.111819 | 0.00967808 | -0.188754 | 2.83049 | -1.91569 | 0.986471 | -0.7817 | 0.70743 | -0.0930673 | -1.26471 | 4348.54 | 1110.16 | 1043.13 | 831.972 | 463.197 | 197.874 | 161.598 | 208.791 | 171.266 | 128.673 | 2137.25
1 | Ceftriaxone | 554.583 | 5 | 15 | -1.74923 | 208.98 | 602.707 | 50.915 | -3.40388 | 54 | 2 | 2 | 1 | 1 | 2 | 1045.39 | 1.10526 | 26.1455 | 17.1163 | 28.9941 | 13.3752 | 10.9589 | 17.1163 | 4386 | 54 | 1.66883 | -0.0279516 | 0.344574 | -0.262627 | 0.022271 | 0.175535 | 0.76768 | 0.0510097 | -0.141308 | -0.118067 | -0.195779 | 0.0352292 | 0.000397916 | 3.02387 | -1.44974 | 0.131796 | 0.432462 | -0.577233 | 0.178843 | -0.21263 | 5084.23 | 1226.5 | 1468.96 | 1286.18 | 383.135 | 192.623 | 218.636 | 183.769 | 266.694 | 250.873 | 3274.02
1 | Lactulose | 342.296 | 8 | 11 | -4.46607 | 189.53 | 415.014 | 28.253 | 1.8809 | 45 | 2 | 2 | 1 | 1 | 9 | 395.203 | 1 | 17.3614 | 10.7842 | 19.3264 | 7.48611 | 4.98866 | 10.7842 | 1132 | 45 | 2.05989 | -0.596734 | 1.16642 | -0.710598 | 0.206137 | -0.0542169 | 2.64624e-29 | 6.76493e-30 | 5.04931e-30 | -5.77018e-30 | -6.89372e-30 | -4.02356e-30 | -3.03902e-30 | 2.05989 | -1.03302 | -0.596734 | 1.16642 | -0.710598 | 0.206137 | -0.0542169 | 3406.07 | 131.476 | 27.537 | 97.0727 | 131.476 | 27.537 | 159.462 | 83.3068 | 97.0727 | 70.9353 | 1494.49
1 | Risedronic_acid | 283.112 | 5 | 8 | -2.09719 | 148.18 | 309.527 | 21.704 | 0.283244 | 28 | 0 | 0 | 0 | 0 | 0 | 260.948 | 1 | 13.32 | 7.5783 | 15.0588 | 4.93827 | 4 | 7.5783 | 478 | 28 | 1.72413 | 0.512038 | -0.410898 | 0.710059 | -0.721622 | 0.555099 | 0.171301 | -0.0690662 | 0.0164319 | -0.0632783 | 0.0559312 | -0.0655311 | 0.0550373 | 2.45102 | -1.75614 | 0.905059 | -0.936486 | 1.18731 | -1.18525 | 1.00311 | 2533.26 | 636.682 | 612.001 | 733.709 | 102.68 | 85.1829 | 78.2773 | 129.146 | 5.85811 | 38.66 | 1134.13
1 | Streptomycin | 581.574 | 16 | 19 | -4.54075 | 331.43 | 737.774 | 53.207 | -0.489805 | 79 | 3 | 3 | 1 | 1 | 15 | 914.767 | 1 | 30.1016 | 18.7079 | 34.4898 | 14.189 | 9.25 | 18.7079 | 4989 | 79 | 2.9754 | -0.0889021 | 0.556419 | -0.574997 | 0.696023 | -0.464275 | 0.359355 | -0.0629938 | -0.116684 | -2.13991e-16 | 0.00870915 | 0.0319721 | -0.0200472 | 3.66915 | -2.12957 | 0.250596 | 0.374665 | -0.842801 | 0.967494 | -0.462609 | 5928.97 | 492.683 | 171.721 | 437.674 | 216.666 | 64.263 | 199.273 | 164.187 | 216.379 | 152.568 | 3288.19
2 | Acarbose | 645.605 | 14 | 19 | -7.41054 | 329.01 | 805.204 | 56.401 | 2.43303 | 87 | 3 | 4 | 1 | 1 | 18 | 931.774 | 1 | 33.0407 | 20.7113 | 38.448 | 16.8973 | 10.4985 | 20.7113 | 7437 | 87 | 3.44874 | -1.01082 | 1.72884 | -0.833241 | -0.0206532 | 0.1333 | 0.0089439 | -0.00447195 | -2.70347e-16 | 2.17799e-16 | -1.53207e-16 | 8.17922e-18 | -5.92683e-17 | 3.51497 | -1.67735 | -1.03704 | 1.73875 | -0.828266 | -0.0309635 | 0.128277 | 6469.4 | 389.194 | 94.9083 | 233.589 | 219.788 | 28.03 | 211.234 | 157.474 | 154.536 | 165.171 | 3401.31
3 | Amphotericin B | 924.079 | 13 | 18 | 0.364841 | 319.61 | 1314.22 | 94.431 | -5.76245 | 138 | 3 | 3 | 1 | 1 | 19 | 1608.34 | 1.06667 | 48.4318 | 30.6155 | 59.3094 | 30.0113 | 23.1894 | 30.6155 | 22044 | 138 | 3.2751 | 0.119366 | -0.513631 | 1.54088 | -2.0219 | 1.76255 | 0.0749064 | -0.022962 | -0.0144796 | -8.7441e-06 | 7.58131e-06 | -0.000323262 | 0.00081616 | 3.55752 | -1.93776 | 0.249419 | -0.689993 | 1.73498 | -2.27411 | 2.01455 | 9523.42 | 912.681 | 539.145 | 581.875 | 225.139 | 61.828 | 57.9989 | 206.656 | 33.9467 | 185.011 | 5660.87
3 | Clodronate | 244.892 | 4 | 6 | -0.880762 | 115.06 | 232.26 | 14.137 | -0.169897 | 15 | 0 | 0 | 0 | 0 | 0 | 140.661 | 0 | 9.5 | 4.5 | 11 | 2.5 | 1.97531 | 4.5 | 136 | 15 | 1.56495 | 0.442059 | -0.796288 | 1.37379 | -0.922393 | 0.206581 | 0.149939 | -0.0571892 | 0.0108142 | -0.0571892 | 0.0285946 | 1.87738e-17 | 3.08149e-33 | 2.21202 | -1.51602 | 0.840241 | -1.45997 | 1.89928 | -1.07611 | 0.206581 | 1754.82 | 450.418 | 520.674 | 0 | 143.882 | 113.533 | 240.113 | 130.065 | 0 | 0 | 603.225
3 | Nedocromil | 371.341 | 2 | 8 | 2.63513 | 121.21 | 442.587 | 37.902 | -4.29757 | 44 | 0 | 0 | 0 | 0 | 0 | 715.582 | 1.28571 | 19.878 | 12.7941 | 21.7027 | 8.78853 | 5.53846 | 12.7941 | 1602 | 44 | 1.19884 | 0.0343099 | 0.294501 | -0.470114 | 0.197432 | 0.00743005 | 0.217219 | -0.0164094 | 0.0219999 | -0.0556596 | -0.0624655 | 0.0477715 | -0.00530106 | 1.71286 | -0.929425 | 0.329778 | 0.032735 | -0.814504 | 0.622287 | 0.044372 | 3785.71 | 920.223 | 1359.98 | 1247.95 | 151.071 | 36.0466 | 93.2295 | 62.9867 | 51.2767 | 42.0491 | 2809.82
3 | Neomycin | 614.644 | 19 | 19 | -7.4764 | 353.11 | 771.316 | 56.27 | 1.64685 | 88 | 3 | 3 | 1 | 1 | 19 | 871.676 | 1 | 31.0407 | 19.835 | 34.8652 | 14.6135 | 9.75 | 19.835 | 6111 | 88 | 3.11002 | -0.821984 | 1.76118 | -1.02976 | 0.297391 | -0.144202 | 6.24899e-29 | -4.87397e-30 | 1.13984e-29 | 1.25512e-29 | 1.78773e-29 | -6.2151e-30 | -1.95526e-29 | 3.11002 | -1.61553 | -0.821984 | 1.76118 | -1.02976 | 0.297391 | -0.144202 | 6234.83 | 173.908 | 41.983 | 151.633 | 173.908 | 41.983 | 191.037 | 121.293 | 151.633 | 96.344 | 3434.62
5 | [NAME] | 457.429 | 7 | 12 | -2.81071 | 202.32 | 565.25 | 41.6 | -0.0466684 | 59 | 2 | 2 | 1 | 1 | 11 | 638.281 | 1 | 23.4135 | 15.2773 | 26.6021 | 12.1094 | 8.3227 | 15.2773 | 3080 | 59 | 2.10175 | -0.693739 | 1.13057 | -0.559678 | 0.0958809 | 0.000165927 | 0.156512 | -0.0782411 | -0.00194327 | 0.00277497 | -0.000370682 | 0.000142818 | -0.00061871 | 2.41468 | -1.09939 | -0.813413 | 1.22803 | -0.614816 | 0.12052 | 0.061235 | 4505.28 | 430.859 | 315.59 | 341.049 | 139.423 | 28.4477 | 154.595 | 95.1972 | 97.692 | 56.085 | 2297.23
5 | Cefotaxime | 455.468 | 4 | 12 | -0.550493 | 173.51 | 520.606 | 41.682 | -2.85457 | 47 | 1 | 1 | 1 | 1 | 2 | 807.344 | 1.15385 | 21.9993 | 14.2393 | 24.6387 | 11.7438 | 10.0038 | 14.2393 | 2584 | 47 | 1.41861 | 0.214989 | 0.0595611 | -0.206768 | 0.0615036 | 0.137464 | 0.307058 | -0.0451229 | -0.0922263 | -0.00780414 | -0.0150816 | 0.0443902 | -0.0824084 | 2.13694 | -1.20639 | 0.360167 | -0.0480105 | -0.243555 | 0.193918 | -0.222423 | 4289.21 | 986.552 | 998.393 | 1155.15 | 267.431 | 131.937 | 130.683 | 148.393 | 248.928 | 190.588 | 2484.17
5 | Chlorhexidine | 477.393 | 10 | 10 | 5.95343 | 167.58 | 606.589 | 52.316 | -8.62794 | 58 | 2 | 2 | 1 | 1 | 0 | 529.708 | 1 | 23.3467 | 15.3126 | 28.2388 | 15.8163 | 17.1598 | 15.3126 | 4258 | 58 | 1.15965 | 1.22506 | -1.40017 | 1.03779 | -0.557669 | -0.122477 | 0.716927 | -0.0264259 | -0.275042 | -0.178671 | 0.110901 | -0.0292495 | 0.0789653 | 2.40509 | -1.71459 | 1.47873 | -2.14387 | 2.04061 | -1.02532 | -0.013329 | 4301.69 | 908.452 | 1102.47 | 664.084 | 191.853 | 106.938 | 0 | 46.1041 | 68.5165 | 0 | 2826.56
5 | Diatrizoate | 613.914 | 3 | 6 | 3.33795 | 95.5 | 423.557 | 39.63 | -4.95901 | 29 | 1 | 1 | 1 | 1 | 0 | 390.472 | 1 | 15.6104 | 9.16248 | 18.05 | 7.31986 | 5.05785 | 9.16248 | 746 | 29 | 0.768412 | 0.369587 | -0.242815 | -0.0793575 | 0.35351 | -0.456894 | 0.20517 | -0.0165434 | -0.102535 | -0.00960694 | 0.0748747 | 0.00406083 | -0.100287 | 1.19566 | -0.722547 | 0.484674 | -0.366592 | -0.0312582 | 0.362347 | -0.781997 | 2655.5 | 659.825 | 803.457 | 852.136 | 170.054 | 47.8364 | 94.6969 | 168.011 | 188.078 | 69.7289 | 3066.42
5 | Edetic_acid | 292.243 | 4 | 10 | -2.50054 | 155.68 | 388.108 | 24.718 | 0.784252 | 36 | 0 | 1 | 0 | 1 | 0 | 315.454 | 0 | 15.7067 | 9.20129 | 20 | 10.6875 | 12.4898 | 9.20129 | 910 | 36 | 1.54794 | 0.0855507 | 0.523584 | -0.0446212 | -1.36837 | 1.96804 | 0.151756 | -0.0466706 | -0.0292073 | -9.467e-16 | 0.0233353 | -0.0466706 | 0.0233353 | 2.12075 | -1.3734 | 0.221681 | 0.500558 | 0.143054 | -1.97543 | 2.5195 | 3263.83 | 642.561 | 274.628 | 444.66 | 145.359 | 68.0131 | 62.8782 | 0 | 0 | 197.101 | 1108.67
5 | Etidronate | 206.028 | 5 | 7 | -2.29661 | 135.29 | 223.486 | 12.753 | 1.04349 | 19 | 0 | 0 | 0 | 0 | 0 | 140.52 | 0 | 9.5 | 4.5 | 11 | 2.5 | 1.97531 | 4.5 | 136 | 19 | 1.6288 | 0.545637 | -0.315274 | 0.675127 | -0.669467 | 0.206541 | 0.153291 | -0.0586914 | 0.0113915 | -0.0586914 | 0.0293457 | 1.14113e-16 | 1.10934e-31 | 2.27697 | -1.72299 | 0.927476 | -0.836869 | 1.11253 | -0.825173 | 0.206541 | 1866.38 | 406.493 | 386.959 | 0 | 99.7355 | 85.1471 | 78.1826 | 129.096 | 0 | 0 | 509.115
5 | Gentamincin_C1 | 477.596 | 11 | 12 | -3.16889 | 199.73 | 678.902 | 48.201 | -0.169146 | 76 | 2 | 2 | 1 | 1 | 13 | 635.811 | 1 | 24.4993 | 15.4944 | 27.5853 | 11.3728 | 8 | 15.4944 | 3234 | 76 | 1.83799 | -0.454112 | 1.07701 | -0.642875 | -0.0112457 | 0.238781 | 8.22964e-29 | -1.42057e-29 | 1.51215e-29 | -2.02221e-29 | 1.99392e-30 | 9.37497e-30 | -2.60018e-29 | 1.83799 | -0.948074 | -0.454112 | 1.07701 | -0.642875 | -0.0112457 | 0.238781 | 5018.12 | 100.289 | 27.7161 | 65.1365 | 100.289 | 27.7161 | 100.649 | 49.0147 | 65.1365 | 53.2908 | 2933.38
5 | Imipenem | 299.347 | 4 | 7 | -0.156482 | 113.72 | 376.841 | 29.388 | -1.62448 | 37 | 0 | 0 | 0 | 0 | 3 | 456.474 | 1.28571 | 14.8614 | 9.48527 | 16.3719 | 7.85204 | 6.54935 | 9.48527 | 843 | 37 | 0.98776 | 0.100606 | -0.0561835 | 0.101286 | -0.056309 | -0.152704 | 0.222563 | -0.0442437 | -0.056445 | -0.00515412 | -0.0262204 | 0.0151839 | 0.0268458 | 1.48765 | -0.841399 | 0.28643 | -0.236006 | -0.0465124 | 0.207667 | -0.260975 | 2909.32 | 498.143 | 369.229 | 299.251 | 125.99 | 36.4006 | 90.8301 | 69.9113 | 47.3406 | 38.0159 | 1726.68
5 | Iohexol | 821.138 | 8 | 12 | -0.718376 | 199.89 | 704.072 | 58.428 | -2.75279 | 60 | 3 | 4 | 1 | 1 | 3 | 652.648 | 1 | 26.1624 | 15.9024 | 32.0294 | 15.2974 | 9.77039 | 15.9024 | 3312 | 60 | 1.84821 | -0.070325 | 0.578575 | -0.721953 | 0.224901 | 0.220656 | 0.207063 | -0.0266814 | -0.0681807 | -0.0060797 | 0.0335744 | -0.0355643 | -0.0485021 | 2.32926 | -1.21972 | 0.103347 | 0.438659 | -0.866046 | 0.217153 | 0.219032 | 4783.71 | 683.059 | 812.997 | 997.64 | 217.265 | 40.1119 | 124.018 | 241.017 | 155.738 | 175.937 | 4440.45
5 | Iotroxic_acid | 1215.81 | 4 | 11 | 6.78208 | 160.49 | 815.086 | 76.183 | -9.38305 | 57 | 3 | 4 | 1 | 1 | 0 | 792.84 | 1 | 29.2753 | 18.344 | 35.1975 | 17.1974 | 12.8117 | 18.344 | 7000 | 57 | 1.62756 | -0.0334593 | 0.314687 | -0.192211 | 0.0108554 | -0.0954468 | 0.239442 | -0.0285197 | -0.0895208 | -0.00602171 | 0.029262 | -0.0138522 | -0.0591998 | 2.2076 | -1.14609 | 0.081988 | 0.174935 | -0.123777 | -0.0285398 | -0.450223 | 5018.57 | 1108.67 | 1411.24 | 1024.45 | 306.04 | 64.4463 | 176.034 | 284.589 | 188.714 | 210.106 | 5424.71
5 | Mitoxantrone | 444.481 | 8 | 10 | -3.02584 | 163.18 | 556.572 | 48.222 | -0.824072 | 60 | 1 | 2 | 1 | 1 | 0 | 571.228 | 1.28571 | 23.0872 | 15.5064 | 26.6021 | 13.1853 | 8.6281 | 15.5064 | 2996 | 60 | 1.56414 | -0.16065 | -0.00398279 | -0.304365 | 0.680547 | -0.132507 | 0.0618166 | -0.0137528 | 0.000917978 | 0.0076135 | -0.0403216 | 0.00253439 | 0.00849538 | 1.63996 | -0.810337 | -0.0370221 | -0.0230014 | -0.317331 | 0.817607 | -0.378737 | 4450.27 | 730.642 | 1099.27 | 1073.44 | 118.056 | 0 | 22.1602 | 60.0828 | 106.011 | 55.7597 | 3340.49
5 | Moexipril_diacid | 470.515 | 3 | 9 | 1.94634 | 125.4 | 630.739 | 48.809 | -3.81394 | 64 | 0 | 0 | 0 | 0 | 3 | 711.378 | 1.125 | 24.8277 | 16.2436 | 28.5694 | 13.5168 | 10.1224 | 16.2436 | 3657 | 64 | 1.39735 | -0.129183 | 0.750001 | -0.650426 | -0.169753 | 0.482438 | 0.14417 | -0.0337089 | -0.0271669 | -0.00653948 | -0.0284097 | 0.00814475 | 0.0309521 | 1.80837 | -1.02537 | -0.0162677 | 0.772035 | -0.838196 | -0.17821 | 0.603312 | 4833.7 | 898.645 | 734.794 | 940.002 | 137.092 | 47.1117 | 80.4777 | 0 | 43.7793 | 93.1593 | 3029.41
5 | Pamidronic_acid | 235.07 | 7 | 8 | -3.14133 | 161.31 | 263.97 | 15.939 | 1.34109 | 24 | 1 | 1 | 1 | 1 | 0 | 170.576 | 0 | 10.9142 | 5.56066 | 13 | 3.63 | 2.47934 | 5.56066 | 220 | 24 | 1.76603 | 0.537762 | -0.425199 | 0.651646 | -0.0946353 | -0.441131 | 0.153117 | -0.0586142 | 0.0113626 | -0.0586142 | 0.0293071 | -6.3671e-16 | -9.50313e-17 | 2.41387 | -1.78728 | 0.926525 | -0.960332 | 1.01039 | -0.0868101 | -0.520723 | 2183.09 | 408.65 | 386.998 | 59.9897 | 101.899 | 85.1675 | 78.2324 | 134.155 | 33.2095 | 0 | 709.044
5 | Phthalylsulfathiazole | 403.434 | 3 | 8 | 1.89288 | 125.46 | 438.865 | 40.518 | -4.87033 | 40 | 0 | 0 | 0 | 0 | 0 | 542.662 | 1 | 19.4409 | 12.865 | 21.7027 | 9.66686 | 9.36 | 12.865 | 2075 | 40 | 0.920182 | 0.442716 | -0.237094 | -0.144732 | 0.378336 | -0.101707 | 0.512298 | -0.197205 | 0.0146976 | -0.183236 | 0.0786746 | 0.0915675 | -0.0109887 | 2.09648 | -1.39121 | 0.863117 | -0.855595 | 0.186157 | 0.501426 | -0.0552422 | 3662.3 | 1137.81 | 1507.8 | 1329.63 | 345.305 | 120.103 | 100.818 | 50.5297 | 135.896 | 58.3016 | 2596.78
5 | Succinylsulfathiazole | 355.392 | 3 | 8 | -0.0980893 | 125.46 | 399.658 | 34.528 | -2.83781 | 36 | 0 | 0 | 0 | 0 | 0 | 429.833 | 1 | 16.872 | 10.865 | 19.3264 | 8.90909 | 10.4637 | 10.865 | 1405 | 36 | 0.873624 | 0.526977 | -0.317111 | -0.244755 | 0.438598 | -0.0754064 | 0.519437 | -0.19751 | 0.00847642 | -0.184031 | 0.0794911 | 0.0969234 | -0.00508747 | 2.06431 | -1.37012 | 0.944242 | -0.925783 | 0.076329 | 0.570156 | -0.0335157 | 3322.07 | 951.187 | 1019.06 | 925.45 | 346.344 | 120.363 | 100.817 | 50.526 | 138.008 | 59.4208 | 2091.79
5 | Sulbactam | 233.243 | 1 | 6 | -1.128 | 91.75 | 276.248 | 20.466 | -0.593145 | 26 | 0 | 0 | 0 | 0 | 2 | 342.169 | 1.28571 | 11.5939 | 6.70923 | 11.4844 | 3.5 | 2.39715 | 6.70923 | 303 | 26 | 0.665705 | 0.104376 | 0.239311 | -0.690169 | 0.555791 | -0.175705 | 0.371608 | -0.203402 | 0.0711895 | 0.0468658 | -0.254505 | 0.154048 | 2.31329e-16 | 1.57516 | -0.870785 | 0.311342 | 0.552657 | -1.94238 | 1.50411 | -0.360477 | 2395.42 | 568.076 | 237.516 | 473.773 | 256.006 | 100.934 | 67.8109 | 149.233 | 107.837 | 0 | 1381.97
5 | Ticarcillin | 384.429 | 3 | 8 | 0.785872 | 124.01 | 455.495 | 35.865 | -2.90556 | 41 | 0 | 0 | 0 | 0 | 4 | 639.511 | 1.16667 | 18.5161 | 11.6476 | 19.7531 | 7.935 | 7.26 | 11.6476 | 1474 | 41 | 1.1651 | 0.202382 | -0.142467 | 0.167357 | 0.00621527 | -0.286085 | 0.204631 | -0.0430561 | -0.0335578 | -0.0196201 | -0.0378651 | 0.0503648 | -0.0205076 | 1.76673 | -0.983805 | 0.427879 | -0.466483 | 0.0852714 | 0.334078 | -0.553274 | 3539.07 | 713.424 | 480.455 | 551.641 | 187.894 | 85.2539 | 91.2009 | 122.265 | 155.698 | 34.5589 | 2358.26
10 | Cefmetazole | 471.538 | 2 | 12 | -2.05085 | 163.33 | 549.29 | 43.759 | -1.76364 | 47 | 1 | 1 | 1 | 1 | 2 | 792.323 | 1.15385 | 21.8885 | 14.3514 | 24.6387 | 11.7438 | 9.1875 | 14.3514 | 2591 | 47 | 1.13659 | 0.0260123 | 0.528207 | -0.556844 | -0.105943 | 0.51943 | 0.55273 | -0.0499661 | -0.203971 | -0.0150423 | -0.0108625 | 0.0159498 | 0.0436548 | 2.07725 | -0.874117 | -0.101524 | 0.437953 | -0.668898 | -0.0229392 | 0.654406 | 4318.15 | 913.744 | 864.34 | 1056.92 | 253.45 | 153.65 | 248.213 | 89.134 | 180.648 | 240.185 | 2805.69
11 | Acamprosate | 181.211 | 2 | 5 | -1.17508 | 83.47 | 241.186 | 16.423 | -0.17255 | 22 | 0 | 0 | 0 | 0 | 0 | 138.444 | 0 | 8.90578 | 4.9165 | 11 | 4.7929 | 10 | 4.9165 | 190 | 22 | 0.545914 | 0.306035 | -0.185978 | -0.0641899 | 0.253965 | -0.371425 | 0.345839 | -0.197866 | 0.0249469 | -5.43072e-16 | 0.0442296 | 0.00202337 | -0.136736 | 1.39596 | -1.05997 | 0.715181 | -0.310127 | -0.0972906 | 0.43021 | -0.893899 | 1973.9 | 468.53 | 190.503 | 179.066 | 262.725 | 60.0731 | 0 | 55.9941 | 48.8957 | 41.6377 | 698.546
20 | Cilazapril | 417.499 | 2 | 8 | 2.0624 | 99.18 | 577.501 | 43.957 | -3.58048 | 61 | 0 | 0 | 0 | 0 | 3 | 595.567 | 1.11765 | 21.5099 | 14.5072 | 24.6387 | 12.2964 | 8.4672 | 14.5072 | 2478 | 61 | 1.04451 | -0.16379 | 0.473335 | -0.207002 | -0.354662 | 0.469304 | 0.196362 | -0.0203739 | -0.0440097 | -0.0221055 | -0.0357841 | 0.0118917 | 0.0179984 | 1.5425 | -0.807864 | -0.0886439 | 0.517072 | -0.357994 | -0.371786 | 0.592997 | 4433.38 | 641.636 | 423.06 | 470.577 | 125.167 | 48.1086 | 83.628 | 37.0613 | 19.6689 | 81.9629 | 2728.52
28 | Lincomycin | 406.538 | 5 | 8 | 0.303249 | 122.49 | 579.325 | 41.355 | -1.81735 | 61 | 0 | 0 | 0 | 0 | 9 | 492.734 | 1 | 20.3006 | 12.7048 | 23.2806 | 10.1563 | 7.39556 | 12.7048 | 1843 | 61 | 1.32348 | -0.373803 | 0.720068 | -0.385205 | -0.0758438 | 0.211901 | 0.0651751 | -0.0112606 | -0.0213269 | -1.38167e-15 | 4.52913e-16 | 1.45956e-15 | -7.66074e-16 | 1.49027 | -0.712271 | -0.355212 | 0.677043 | -0.45441 | 0.0345088 | 0.14851 | 4106.76 | 208.461 | 62.5432 | 139.519 | 114.698 | 31.8787 | 104.389 | 66.1711 | 85.4107 | 64.1291 | 2555.76
28 | [NAME] | 282.249 | 4 | 8 | -1.46987 | 119.33 | 343.527 | 25.624 | -0.660151 | 34 | 0 | 0 | 0 | 0 | 4 | 507.385 | 1 | 14.8614 | 9.4896 | 16.3719 | 6.84 | 5.05785 | 9.4896 | 782 | 34 | 1.18883 | 0.0583733 | 0.141649 | -0.103458 | 0.0413862 | -0.152575 | 0.297339 | 0.00978961 | -0.0980443 | -0.117655 | 0.0466067 | -0.00718828 | 0.017822 | 1.7263 | -0.76461 | 0.167247 | -0.456414 | 0.107643 | -0.0179799 | -0.0184489 | 2872.8 | 420.103 | 488.052 | 247.633 | 124.195 | 95.9556 | 67.5041 | 81.048 | 56.4821 | 35.232 | 1337.4
30 | Fosmidomycin | 183.1 | 3 | 6 | -1.78007 | 98.07 | 230.774 | 14.15 | 0.75975 | 21 | 0 | 0 | 0 | 0 | 0 | 129.651 | 0 | 8.90578 | 4.95451 | 11 | 4.7929 | 7.90123 | 4.95451 | 184 | 21 | 1.00175 | 0.395928 | -0.165724 | -0.0992969 | 0.051969 | 0.140152 | 0.141933 | -0.0413647 | -0.0296014 | -2.01222e-07 | 0.0175279 | 0.000658864 | -0.0539014 | 1.5115 | -1.07961 | 0.573431 | -0.143857 | -0.110041 | -0.026105 | -0.0434643 | 1865.28 | 365.784 | 219.261 | 197.256 | 96.4488 | 56.8512 | 13.6642 | 0 | 55.1169 | 50.1222 | 518.531
32 | AAFC | 243.192 | 3 | 7 | -0.239165 | 98.37 | 251.184 | 20.577 | -1.21934 | 27 | 0 | 0 | 0 | 0 | 4 | 409.977 | 1.33333 | 12.1543 | 8.11339 | 12.0554 | 4.28062 | 3.72889 | 8.11339 | 476 | 27 | 1.06682 | -0.0472019 | 0.247558 | -0.141886 | 0.121846 | -0.237069 | 0.372149 | -0.0409864 | 0.121004 | -0.136009 | -0.131048 | 0.000965024 | -1.26498e-15 | 1.72268 | -0.956011 | 0.354286 | -0.154719 | -0.100392 | 0.0721553 | -0.285197 | 2308.69 | 405.342 | 510.239 | 178.278 | 128.483 | 71.9729 | 97.8702 | 39.2113 | 83.8151 | 0.492059 | 1092.02
32 | Nadolol | 309.401 | 4 | 5 | 1.20079 | 81.95 | 454.188 | 33.744 | -2.0494 | 49 | 0 | 0 | 0 | 0 | 3 | 344.041 | 1.2 | 16.3281 | 10.2598 | 18.3403 | 7.7135 | 7.90843 | 10.2598 | 1168 | 49 | 0.904792 | -0.134816 | 0.257569 | -0.292737 | 0.203054 | 0.0403952 | 0.00352403 | -0.000646905 | -0.000313271 | -0.000265684 | -0.000536158 | -1.05683e-16 | 2.77281e-16 | 0.888041 | -0.433402 | -0.108013 | 0.243652 | -0.301813 | 0.21665 | 0.0339415 | 3181.95 | 263.899 | 256.013 | 140.177 | 54.1697 | 0 | 30.5584 | 7.01159 | 14.3431 | 14.343 | 1913.42
35 | Dihydroergotamine | 583.678 | 3 | 10 | 2.05146 | 118.21 | 701.372 | 63.672 | -5.47165 | 80 | 1 | 1 | 1 | 1 | 7 | 1162.51 | 1.32353 | 29.6726 | 20.6763 | 30.3408 | 11.3126 | 8.67769 | 20.6763 | 6191 | 80 | 1.29528 | 0.2663 | -0.00502229 | -0.209442 | 0.056646 | 0.247486 | 0.259969 | -0.026849 | -0.0770945 | -0.000593834 | -0.0699831 | 0.0589129 | -0.00670444 | 1.73078 | -0.911944 | 0.285537 | -0.0775362 | -0.507921 | 0.220591 | 0.412355 | 5758.49 | 827.232 | 776.54 | 897.076 | 127.271 | 107.834 | 110.998 | 51.9343 | 93.1313 | 31.1862 | 5055.49
40 | Sulpiride | 341.427 | 3 | 7 | 0.616698 | 101.73 | 446.348 | 35.351 | -2.80849 | 46 | 0 | 0 | 0 | 0 | 1 | 404.663 | 1 | 17.0352 | 10.8627 | 19.3264 | 8.39273 | 7.61246 | 10.8627 | 1251 | 46 | 0.768422 | 0.147672 | -0.0301604 | -0.0267259 | -0.418915 | 0.693447 | 0.386414 | -0.235784 | 0.0737601 | -0.0575823 | 0.0922168 | -0.107965 | 0.0421473 | 1.64019 | -1.13658 | 0.638953 | -0.297934 | 0.275793 | -1.15859 | 1.32548 | 3514.23 | 664.776 | 790.672 | 566.619 | 270.997 | 46.1302 | 6.75193 | 30.1335 | 160.539 | 114.609 | 2119.66
41 | Famotidine | 337.449 | 8 | 9 | -1.79139 | 175.83 | 392.733 | 33.046 | -2.22145 | 35 | 1 | 1 | 1 | 1 | 0 | 354.452 | 1 | 15.1734 | 9.25984 | 18.05 | 8.44444 | 13.77 | 9.25984 | 1046 | 35 | 0.894328 | 0.861225 | -0.815179 | 0.746123 | -0.524287 | 0.0423277 | 0.885554 | -0.567566 | 0.339551 | -0.0220219 | -0.167424 | -0.0248677 | -0.0562625 | 2.56356 | -2.45171 | 2.42614 | -1.62499 | 1.00233 | -0.766902 | -0.0660812 | 3038.93 | 782.417 | 665.274 | 244.607 | 411.309 | 91.2373 | 76.3091 | 161.466 | 89.0156 | 43.1832 | 1765.39
43 | Metaproterenol | 211.258 | 4 | 4 | 0.999434 | 72.72 | 309.048 | 22.871 | -1.58288 | 32 | 0 | 0 | 0 | 0 | 1 | 176.672 | 1 | 11.4223 | 6.98607 | 13.0667 | 5.915 | 6.22222 | 6.98607 | 394 | 32 | 0.765675 | 0.0550349 | -0.0791893 | 0.0551028 | 0.0927578 | -0.0713485 | 0.0102534 | -0.0032691 | -0.000113068 | -0.00011395 | -0.00163055 | 4.66098e-17 | 5.48934e-16 | 0.731457 | -0.446839 | 0.146198 | -0.127005 | 0.0601962 | 0.0779249 | -0.0597894 | 2170.47 | 280.134 | 336.189 | 79.0631 | 48.355 | 0 | 5.30289 | 17.3822 | 27.7112 | 13.3052 | 1122.21
47 | Cymarin | 548.665 | 3 | 9 | 1.78333 | 131.75 | 741.711 | 55.619 | -3.83106 | 83 | 1 | 1 | 1 | 1 | 12 | 1010.02 | 1.21429 | 27.7943 | 18.4989 | 29.0888 | 10.3198 | 6.81633 | 18.4989 | 4907 | 83 | 1.46359 | -0.0205464 | 0.0117112 | 0.104189 | -0.315652 | 0.379628 | 0.0537444 | -0.0194605 | 0.00452111 | -0.0119328 | 9.98862e-16 | -1.26596e-15 | 7.991e-16 | 1.67841 | -0.848135 | 0.0590202 | -0.0577698 | 0.128114 | -0.366787 | 0.408928 | 5625.48 | 418.624 | 233.132 | 73.4238 | 125.284 | 30.6075 | 23.5878 | 51.5348 | 12.2154 | 68.7169 | 4434.73
48 | Rimiterol | 223.268 | 4 | 4 | 1.40269 | 72.72 | 299.001 | 23.932 | -2.17053 | 33 | 0 | 0 | 0 | 0 | 2 | 224.309 | 1 | 11.5436 | 7.68154 | 12.4567 | 5.55766 | 4.81664 | 7.68154 | 444 | 33 | 0.778042 | -0.0905979 | 0.370626 | -0.381159 | 0.087506 | 0.120818 | 0.00394182 | 0.000750399 | -0.00101218 | -0.000759847 | -0.000949277 | -2.39002e-17 | 1.4598e-16 | 0.729603 | -0.408921 | -0.0764777 | 0.362426 | -0.359359 | 0.0737331 | 0.100953 | 2235.85 | 279.711 | 342.798 | 57.8542 | 48.5481 | 0 | 22.7834 | 0 | 13.8975 | 20.5809 | 1324.25
50 | Atenolol | 262.304 | 0 | 5 | 1.33493 | 91.75 | 431.146 | 27.686 | -1.29075 | 37 | 0 | 0 | 0 | 0 | 1 | 258.355 | 1 | 14.2507 | 8.96923 | 17.0526 | 9.03125 | 10.449 | 8.96923 | 890 | 37 | 1.60986 | 0.275249 | 0.687748 | 0.23614 | 0.1826 | -0.256491 | 2.53942 | -0.0515706 | 0.782414 | 0.0366951 | -0.0198952 | 0.105151 | -0.0475007 | 4.72865 | -0.427669 | 1.41264 | 0.603944 | 0.376913 | 0.225854 | -0.732593 | 2407.91 | 265.09 | 288.105 | 57.3209 | 22.0932 | 1.35465 | 1.18219 | -0.573087 | 0 | 0 | 1300.42
50 | Cefpodoxime_proxetil | 557.599 | 3 | 14 | 1.27351 | 180.97 | 688.654 | 52.131 | -4.39017 | 64 | 2 | 3 | 1 | 1 | 3 | 923.822 | 1.15385 | 27.2753 | 17.565 | 31.5266 | 15.6995 | 13.2704 | 17.565 | 4697 | 64 | 1.71218 | 0.455641 | -0.299554 | 0.270095 | -0.278982 | 0.176278 | 0.347639 | -0.0534027 | -0.100173 | 0.0062846 | -0.0384746 | -0.0109315 | 0.0190911 | 2.53722 | -1.55076 | 0.635498 | -0.429847 | 0.353479 | -0.508931 | 0.215421 | 5465.5 | 1048.45 | 1137.45 | 1190.45 | 312.356 | 204.452 | 133.661 | 195.634 | 273.347 | 179.125 | 2982.61
50 | [NAME] | 207.229 | 4 | 5 | 1.3105 | 80.36 | 267.509 | 22.162 | -2.34309 | 28 | 0 | 0 | 0 | 0 | 1 | 224.958 | 1.2 | 10.6734 | 7.25402 | 11.4844 | 5.36508 | 5.58449 | 7.25402 | 392 | 28 | 0.726469 | 0.123863 | -0.102793 | -0.0387343 | 0.121953 | 0.0427477 | 0.17946 | -0.0287936 | -0.0595716 | 0.00275863 | 0.00847312 | -0.00596799 | -0.0162814 | 0.994529 | -0.660674 | 0.326489 | -0.18086 | -0.132388 | 0.146253 | 0.0696242 | 2058.23 | 385.1 | 388.265 | 195.282 | 69.4801 | 17.9773 | 36.7532 | 17.3498 | 18.5464 | 18.3728 | 1075.34
50 | Trandolapril | 430.537 | 2 | 7 | 3.34942 | 95.94 | 617.083 | 46.276 | -4.28507 | 65 | 0 | 0 | 0 | 0 | 5 | 627.391 | 1.13333 | 22.3801 | 14.9179 | 25.6198 | 12.4593 | 10.2083 | 14.9179 | 2772 | 65 | 1.00774 | -0.0272703 | 0.562827 | -0.550397 | -0.146309 | 0.620416 | 0.140112 | -0.0343396 | -0.0247371 | 0.000407349 | -0.0218533 | -0.00138103 | 0.012449 | 1.46687 | -0.870503 | 0.0314984 | 0.64265 | -0.71929 | -0.197191 | 0.798566 | 4585.8 | 631.872 | 385.989 | 485.999 | 101.576 | 47.7743 | 62.1529 | 0 | 25.4641 | 76.1391 | 2883.7
54 | Metformin | 129.164 | 5 | 5 | 0.606504 | 88.99 | 208.594 | 14.413 | -1.38801 | 20 | 0 | 0 | 0 | 0 | 0 | 110.016 | 0 | 7.43916 | 4.03658 | 9 | 3.92 | 4.5 | 4.03658 | 96 | 20 | 0.555739 | 0.562505 | -0.635656 | 0.45623 | -0.236287 | -0.0490956 | 0.343918 | -0.0277726 | -0.123273 | -0.0846891 | 0.0637752 | 4.51251e-16 | 1.47332e-16 | 1.19529 | -0.878224 | 0.752644 | -0.978002 | 0.866877 | -0.357396 | -0.108073 | 1449.73 | 228.898 | 199.417 | 0 | 58.4938 | 47.7314 | 0 | 18.6984 | 0 | 0 | 519.773
55 | Eflornithine | 182.169 | 5 | 4 | -2.71956 | 89.34 | 250.395 | 15.027 | 1.31825 | 24 | 0 | 0 | 0 | 0 | 1 | 165.627 | 0 | 9.77602 | 5.44741 | 12 | 4.88889 | 3.11419 | 5.44741 | 199 | 24 | 0.789596 | -0.035362 | 0.171833 | -0.086531 | -0.0599371 | 0.239723 | 0.0370353 | -0.0112912 | -0.00722648 | 1.52661e-16 | -2.29078e-16 | 4.87142e-16 | -4.30599e-16 | 0.931979 | -0.541703 | 0.00286389 | 0.136587 | -0.0753446 | -0.0914057 | 0.290467 | 1946.53 | 205.6 | 88.2243 | 11.8515 | 81.383 | 38.0441 | 27.4904 | 76.0897 | 2.29913 | 25.5117 | 613.018
55 | Valsartan | 435.519 | 2 | 8 | 4.58987 | 112.07 | 598.08 | 49.185 | -6.08719 | 61 | 0 | 0 | 0 | 0 | 1 | 608.442 | 1 | 23.0872 | 15.4179 | 26.6021 | 13.1853 | 10.8705 | 15.4179 | 3122 | 61 | 0.753972 | 0.0849744 | 0.163093 | -0.253035 | 0.150782 | -0.00262549 | 0.303432 | 0.0180461 | -0.15849 | 0.00886351 | -0.0382377 | 0.025906 | -0.00572643 | 1.1922 | -0.502417 | 0.0733109 | -0.00148122 | -0.436311 | 0.413092 | -0.0435928 | 4519.27 | 885.853 | 989.008 | 1229.97 | 105.927 | 57.6675 | 35.1729 | 0 | 25.3427 | 0 | 3220.27
58 | Dipyridamole | 504.626 | 4 | 12 | 1.44882 | 145.44 | 668.105 | 53.718 | -3.7328 | 76 | 2 | 2 | 1 | 1 | 0 | 560.924 | 1.09091 | 25.3299 | 17.6937 | 28.9941 | 14.963 | 10.5967 | 17.6937 | 3652 | 76 | 1.47711 | 0.0253234 | 0.335313 | -0.883069 | 1.33034 | -0.622073 | 0.219689 | -0.0764369 | -0.0478187 | 0.0994414 | -0.0766633 | -0.0293415 | 0.0146374 | 1.95782 | -1.30719 | 0.367813 | 0.647294 | -1.64947 | 2.04685 | -0.991346 | 5227.82 | 544.385 | 807.008 | 499.74 | 115.325 | 41.8044 | 69.7938 | 43.5046 | 127.67 | 21.1996 | 3505.71
58 | Oxytetracycline | 460.434 | 8 | 11 | -2.1784 | 201.85 | 547.41 | 44.54 | -1.635 | 57 | 2 | 2 | 1 | 1 | 6 | 970.821 | 1.33333 | 24.7816 | 15.2 | 26.0741 | 8.54222 | 4.5 | 15.2 | 2494 | 57 | 1.88288 | -0.0259971 | -0.497281 | 0.498035 | 0.428524 | -0.728895 | 0.181129 | -0.0582225 | 0.0481492 | -0.0952663 | 0.0717172 | -0.0889203 | 0.0459883 | 2.293 | -1.20185 | 0.338922 | -0.909407 | 0.604938 | 0.425483 | -0.425885 | 4547.1 | 827.345 | 903.095 | 1120.09 | 141.485 | 10.6469 | 32.5389 | 150.731 | 168.981 | 87.4778 | 3562.31
59 | Cilazapril | 417.499 | 2 | 8 | 2.0624 | 99.18 | 577.501 | 43.957 | -3.58048 | 61 | 0 | 0 | 0 | 0 | 3 | 595.567 | 1.11765 | 21.5099 | 14.5072 | 24.6387 | 12.2964 | 8.4672 | 14.5072 | 2478 | 61 | 1.04451 | -0.16379 | 0.473335 | -0.207002 | -0.354662 | 0.469304 | 0.196362 | -0.0203739 | -0.0440097 | -0.0221055 | -0.0357841 | 0.0118917 | 0.0179984 | 1.5425 | -0.807864 | -0.0886439 | 0.517072 | -0.357994 | -0.371786 | 0.592997 | 4433.38 | 641.636 | 423.06 | 470.577 | 125.167 | 48.1086 | 83.628 | 37.0613 | 19.6689 | 81.9629 | 2728.52
60 | Fenoterol | 303.353 | 5 | 5 | 2.04182 | 92.95 | 409.79 | 33.168 | -3.17287 | 43 | 0 | 0 | 0 | 0 | 2 | 309.781 | 1 | 16.1125 | 10.4356 | 18.3403 | 8.74089 | 9.03686 | 10.4356 | 1240 | 43 | 1.00405 | 0.0779425 | -0.0799027 | 0.0556694 | 0.0743671 | -0.151969 | 0.0137065 | -0.0038302 | -0.000519276 | -0.000371422 | -0.00213236 | 5.26205e-17 | -3.98297e-05 | 0.952121 | -0.581813 | 0.191952 | -0.137725 | 0.0579949 | 0.0721981 | -0.153761 | 2974.17 | 507.296 | 590.985 | 96.3119 | 65.7137 | 0 | 5.31451 | 17.3821 | 27.711 | 13.3344 | 1827.79
60 | Ivermectin | 887.103 | 3 | 14 | 3.43025 | 170.06 | 1225.87 | 92.096 | -6.25326 | 137 | 2 | 2 | 1 | 1 | 22 | 1683.8 | 1.25581 | 45.1199 | 29.9974 | 49.4229 | 20.9254 | 14.996 | 29.9974 | 17854 | 137 | 2.31158 | -0.216022 | -0.0106371 | 0.330608 | -0.0576228 | -0.257958 | 0.0376783 | -0.0116109 | -0.00836991 | 0.00123627 | 0.000559621 | -0.00101776 | 0.000300654 | 2.45395 | -1.14854 | -0.168392 | -0.0254107 | 0.355109 | -0.197437 | -0.117534 | 9058.4 | 563.996 | 276.198 | 605.863 | 188.967 | 59.4126 | 73.6515 | 126.341 | 82.5233 | 70.0956 | 6509.62
60 | Oxycodone | 315.364 | 1 | 5 | 0.305525 | 59 | 382.815 | 32.706 | -1.67517 | 44 | 0 | 0 | 0 | 0 | 4 | 553.14 | 1.61111 | 15.9828 | 11.0258 | 15.2702 | 4.79111 | 2.70853 | 11.0258 | 907 | 44 | 0.768283 | -0.308133 | 0.362463 | -0.195424 | -0.187537 | 0.348344 | 0.0128899 | -0.00388638 | 0.00115881 | -0.00485069 | 0.000419742 | 0.000920273 | -0.000206699 | 0.79003 | -0.282443 | -0.302945 | 0.369404 | -0.222567 | -0.188385 | 0.380393 | 3080.34 | 408.316 | 368.323 | 319.766 | 71.0098 | 0 | 44.068 | 14.7946 | 21.8757 | 40.2505 | 2640.87
60 | Pirbuterol | 240.299 | 4 | 5 | 0.374583 | 85.61 | 362.173 | 25.832 | -1.09238 | 37 | 0 | 0 | 0 | 0 | 1 | 230.281 | 1 | 13.052 | 7.83152 | 15.0588 | 6.25 | 6.47934 | 7.83152 | 560 | 37 | 0.824457 | -0.119115 | 0.26378 | -0.0835067 | -0.187152 | 0.24374 | 0.0157668 | -0.00297866 | -0.00184679 | -0.00397562 | 0.000917673 | -3.91892e-16 | 9.33075e-16 | 0.876989 | -0.446934 | -0.161504 | 0.367827 | -0.152068 | -0.190399 | 0.257116 | 2503.76 | 293.459 | 334.186 | 56.3567 | 45.4084 | 0 | 24.965 | 16.7268 | 0 | 24.9633 | 1306
60 | Ramipril | 416.511 | 2 | 7 | 2.79646 | 95.94 | 591.006 | 44.441 | -3.81531 | 62 | 0 | 0 | 0 | 0 | 5 | 612.673 | 1.14286 | 21.673 | 14.4179 | 24.6387 | 11.7438 | 10.4533 | 14.4179 | 2546 | 62 | 1.00384 | -0.0252036 | 0.564203 | -0.553685 | -0.11264 | 0.547678 | 0.140112 | -0.0343396 | -0.0247371 | 0.000407349 | -0.0218533 | -0.00138103 | 0.012449 | 1.46297 | -0.870492 | 0.0335659 | 0.644055 | -0.717375 | -0.157933 | 0.698925 | 4421.95 | 631.872 | 385.989 | 485.999 | 101.576 | 47.7743 | 62.1529 | 0 | 25.4641 | 76.1391 | 2725.08
60 | Ziprasidone | 412.936 | 1 | 5 | 3.89046 | 48.47 | 464.709 | 45.084 | -5.75757 | 49 | 0 | 0 | 0 | 0 | 0 | 572.609 | 1.16667 | 19.0872 | 13.6698 | 19.9336 | 8.62571 | 8.72934 | 13.6698 | 2344 | 49 | 0.506035 | 0.00104636 | -0.0703818 | 0.0990081 | -0.0449735 | -0.0163239 | 0.177654 | -0.0341515 | -0.0612311 | 0.0019708 | -0.00212781 | 0.0096826 | -0.00572205 | 0.817509 | -0.383305 | 0.0746489 | -0.127255 | 0.0518257 | -0.0284254 | 0.0193461 | 3548.55 | 644.081 | 820.435 | 195.498 | 128.389 | 20.783 | 32.9334 | 27.1049 | 11.1692 | 28.015 | 3073.33
61 | Furosemide | 330.745 | 4 | 7 | 1.22039 | 122.63 | 354.417 | 30.313 | -3.57054 | 32 | 0 | 0 | 0 | 0 | 0 | 381.22 | 1 | 15.621 | 9.78671 | 17.3554 | 7.05078 | 7.2 | 9.78671 | 939 | 32 | 1.00271 | 0.229101 | -0.113339 | 0.24815 | -0.711215 | 0.676491 | 0.408327 | -0.25063 | 0.0829083 | -0.0631134 | 0.106476 | -0.112524 | 0.0442204 | 1.74845 | -1.33099 | 0.912131 | -0.60556 | 0.74364 | -1.55051 | 1.37021 | 2998.27 | 817.523 | 983.209 | 846.406 | 322.128 | 49.4558 | 92.3374 | 106.117 | 162.942 | 162.152 | 1818.06
62 | Sulfasalazine | 398.394 | 3 | 9 | 4.51366 | 141.31 | 448.883 | 40.051 | -6.61559 | 42 | 0 | 0 | 0 | 0 | 0 | 556.094 | 1 | 20.1481 | 13.3482 | 22.68 | 10.3469 | 9.5805 | 13.3482 | 2428 | 42 | 0.96038 | 0.33164 | -0.248374 | 0.130115 | -0.178068 | 0.227337 | 0.430788 | -0.200083 | 0.0538587 | -0.129289 | 0.111356 | -0.126259 | 0.0307324 | 2.0087 | -1.29435 | 0.823223 | -0.878438 | 0.560259 | -0.533649 | 0.41183 | 3772.54 | 1267.82 | 1707.17 | 1432.89 | 303.81 | 64.9356 | 21.9504 | 45.5445 | 72.6467 | 102.689 | 2378.18
63 | Terbutaline | 225.284 | 4 | 4 | 1.41371 | 72.72 | 341.415 | 24.706 | -1.91371 | 35 | 0 | 0 | 0 | 0 | 1 | 204.8 | 1 | 12.3449 | 7.27668 | 14.0625 | 5.55766 | 7.05817 | 7.27668 | 468 | 35 | 0.766196 | 0.0950027 | -0.131583 | 0.0580368 | 0.135909 | -0.107165 | 0.0102533 | -0.00326908 | -0.000113092 | -0.00011395 | -0.00163055 | 1.80356e-16 | -1.44751e-16 | 0.731978 | -0.454379 | 0.186166 | -0.179407 | 0.0629826 | 0.120186 | -0.0879604 | 2335.46 | 280.188 | 336.189 | 79.2605 | 48.4093 | 0 | 5.3591 | 17.3822 | 27.7112 | 13.4463 | 1266.98
65 | Chlorthalidone | 338.767 | 4 | 6 | 1.31783 | 109.49 | 355.172 | 32.743 | -3.83937 | 33 | 0 | 0 | 0 | 0 | 1 | 466.124 | 1.13333 | 16.121 | 10.232 | 16.8438 | 5.81717 | 4.75 | 10.232 | 952 | 33 | 0.734701 | 0.391291 | -0.280018 | 0.199033 | -0.3645 | 0.631169 | 0.373972 | -0.225439 | 0.0453141 | -0.00235362 | 0.0043551 | 0.0337459 | -0.00842193 | 1.61204 | -1.19426 | 0.797356 | -0.595485 | 0.465135 | -0.643113 | 1.02938 | 2943.2 | 858.88 | 1107.68 | 868.855 | 292.869 | 61.8477 | 74.2966 | 65.5742 | 105.921 | 119.586 | 2273.68
66 | [NAME] | 357.348 | 1 | 4 | 3.45784 | 49.77 | 408.214 | 34.524 | -4.35827 | 38 | 0 | 0 | 0 | 0 | 0 | 485.678 | 1.2 | 18.0685 | 11.1629 | 20.3136 | 8.13148 | 6.0464 | 11.1629 | 1266 | 38 | 0.908529 | 0.00119956 | -0.0717247 | 0.219504 | 0.0170841 | -0.345915 | 0.169058 | -0.0380915 | -0.0258944 | -0.00265565 | -0.0563499 | 0.0488656 | -0.00201081 | 1.13838 | -0.700382 | 0.245349 | -0.125023 | -0.0807285 | 0.402455 | -0.698621 | 3217.61 | 685.196 | 901.609 | 822.498 | 159.168 | 107.64 | 35.6874 | 65.2722 | 27.3886 | 0 | 2341.94
67 | Hydroflumethiazide | 331.294 | 4 | 7 | -0.131825 | 118.36 | 292.856 | 25.784 | -3.07586 | 28 | 0 | 0 | 0 | 0 | 0 | 384.469 | 1.2 | 15.3449 | 8.92749 | 16.3719 | 5.02531 | 4.49633 | 8.92749 | 703 | 28 | 0.867234 | 0.427368 | -0.0961049 | -0.406476 | 0.207527 | 0.245098 | 0.641447 | -0.452252 | 0.159505 | -0.0478816 | 0.242335 | -0.398644 | 0.176215 | 2.27162 | -1.82932 | 1.21596 | -0.187999 | -0.141262 | -0.948702 | 0.975754 | 3078.76 | 901.936 | 1115.85 | 1180.51 | 542.019 | 158.392 | 52.8814 | 426.253 | 545.495 | 351.959 | 1815.14
67 | Sumatriptan | 295.402 | 2 | 5 | 0.90778 | 65.2 | 388.135 | 33.689 | -2.64392 | 41 | 0 | 0 | 0 | 0 | 0 | 314.794 | 1.22222 | 14.7507 | 9.40982 | 16.3719 | 6.84 | 7.55556 | 9.40982 | 859 | 41 | 0.512989 | 0.0127694 | -0.0515471 | 0.0306282 | 0.0335197 | -0.165503 | 0.351185 | -0.18116 | -0.00137051 | -0.000381238 | -0.021798 | -0.0218276 | 0.155282 | 1.08188 | -0.710975 | 0.29658 | -0.149347 | 0.0628081 | -0.0539673 | -0.0627812 | 2977.25 | 548.325 | 515.725 | 356.748 | 226.014 | 35.9696 | 0 | 0 | 4.95415 | 40.6652 | 2212.77
69 | Mibefradil | 495.629 | 1 | 6 | 5.10235 | 67.45 | 687.642 | 55.86 | -6.04839 | 74 | 1 | 2 | 1 | 1 | 2 | 703.08 | 1.21053 | 25.7085 | 17.3085 | 28.9941 | 13.3752 | 11.3401 | 17.3085 | 4374 | 74 | 0.883221 | -0.0935211 | 0.0593236 | 0.11051 | -0.0734097 | -0.0924691 | 0.148181 | -0.00427739 | -0.0627554 | -0.00289881 | -0.00526988 | 0.00148587 | -0.00530174 | 1.08881 | -0.504281 | -0.0733257 | 0.0383255 | 0.0728779 | -0.10021 | -0.0129745 | 5028.9 | 677.424 | 712.868 | 232.517 | 87.0196 | 22.066 | 29.5859 | 7.94158 | 7.19261 | 6.16691 | 3763.41
70 | Anagrelide | 256.088 | 1 | 4 | 2.10799 | 44.7 | 253.972 | 24.6 | -3.34366 | 23 | 0 | 0 | 0 | 0 | 0 | 354.576 | 1.30769 | 11.2841 | 7.64787 | 11.1111 | 4.03292 | 3.76923 | 7.64787 | 399 | 23 | 0.424426 | 0.233749 | -0.200919 | 0.0945775 | 0.00326047 | -0.052995 | 0.21009 | -0.00354214 | -0.0419973 | -0.0921809 | 0.029533 | -0.00732943 | 0.00329522 | 0.80302 | -0.462584 | 0.387465 | -0.51715 | 0.247993 | -0.0093902 | -0.0597527 | 1994.63 | 495.016 | 640.328 | 386.661 | 118.065 | 50.4407 | 42.8907 | 31.0424 | 28.0446 | 29.6607 | 1542.68
70 | Benserazide | 257.243 | 8 | 8 | -0.28988 | 148.07 | 326.3 | 24.587 | -1.57497 | 33 | 1 | 1 | 1 | 1 | 1 | 278.239 | 1 | 13.7067 | 8.46843 | 16.0556 | 7.55556 | 5.68047 | 8.46843 | 693 | 33 | 1.31392 | -0.318722 | 0.660663 | -0.182308 | -0.163238 | -0.0235378 | 0.130559 | 0.00246026 | -0.0526941 | -0.0229786 | -0.00643136 | 0.00837381 | 0.0084578 | 1.43413 | -0.733926 | -0.272548 | 0.656667 | -0.21961 | -0.235865 | -0.0520591 | 2636.66 | 446.788 | 478.669 | 254.445 | 114.217 | 12.8603 | 60.6078 | 63.8122 | 49.9931 | 38.1263 | 1163.84
70 | Bromhexine | 376.13 | 2 | 2 | 4.31654 | 29.26 | 393.989 | 32.42 | -4.72585 | 38 | 0 | 0 | 0 | 0 | 0 | 256.179 | 1 | 13.121 | 8.57539 | 14.41 | 6.43787 | 5.68047 | 8.57539 | 622 | 38 | 0.289571 | -0.0288554 | 0.0335409 | -0.0581102 | 0.0563136 | -0.0372395 | 0.0116291 | 1.47147e-05 | -0.00256189 | -0.00241263 | -0.0019617 | 0.00110697 | -3.05536e-16 | 0.2401 | -0.105739 | -0.00418789 | 0.01683 | -0.0498093 | 0.0358109 | -0.0349567 | 2442.86 | 242.251 | 334.663 | 43.5338 | 55.8012 | 0 | 16.1072 | 26.0926 | 31.2162 | 0 | 1980.61
70 | Etodolac | 287.354 | 2 | 4 | 2.50721 | 62.32 | 383.084 | 32.804 | -3.26375 | 42 | 0 | 0 | 0 | 0 | 1 | 399.496 | 1.30769 | 15.0352 | 10.1093 | 15.879 | 6.24567 | 4.48753 | 10.1093 | 825 | 42 | 0.677469 | 0.0888829 | -0.0770844 | -0.0190402 | 0.196025 | -0.219863 | 0.106333 | -0.00666062 | -0.0411637 | -0.00120069 | 0.00910889 | -0.0187725 | 0.00158702 | 0.735477 | -0.408773 | 0.178332 | -0.279095 | 0.0743607 | 0.206818 | -0.21858 | 2910.7 | 410.877 | 412.302 | 226.371 | 56.1977 | 16.9398 | 10.6969 | 29.0311 | 25.2297 | 0 | 2350.27
70 | Famciclovir | 321.332 | 2 | 9 | 0.607867 | 122.22 | 425.377 | 32.47 | -2.15326 | 42 | 0 | 0 | 0 | 0 | 0 | 393.874 | 1.22222 | 16.8196 | 10.9524 | 19.3264 | 9.47461 | 10.4637 | 10.9524 | 1328 | 42 | 1.03039 | 0.422561 | -0.267544 | 0.054323 | 0.0616137 | -0.185392 | 0.26442 | -0.0500882 | -0.108059 | 0.0835342 | -0.0454728 | 0.0223627 | 0.0599892 | 1.60911 | -1.11256 | 0.668598 | -0.208317 | -0.0998404 | -0.0104226 | -0.0973781 | 3413.81 | 684.185 | 633.093 | 183.617 | 102.981 | 59.0099 | 4.22816 | 38.9747 | 34.0107 | 35.1502 | 1688.27
70 | Isocarboxazid | 231.251 | 2 | 5 | 2.36203 | 67.16 | 302.89 | 24.963 | -3.23368 | 30 | 0 | 0 | 0 | 0 | 0 | 254.135 | 1 | 12.0876 | 8.25402 | 13.4321 | 6.80529 | 8.68698 | 8.25402 | 613 | 30 | 0.517457 | -0.187998 | 0.0308392 | 0.103899 | -0.0240834 | -0.0749483 | 0.188293 | -0.0140766 | -0.0703264 | 0.0135502 | -0.0369795 | 0.0142439 | 0.000534821 | 0.686637 | -0.219656 | -0.216218 | 0.247521 | -0.0849125 | -0.0962048 | -0.00901313 | 2374.34 | 471.734 | 557.797 | 251.235 | 99.2246 | 12.6895 | 32.5344 | 60.7925 | 23.671 | 0 | 1184.37
70 | Mianserin | 264.365 | 0 | 2 | 3.47192 | 6.48 | 347.042 | 32.384 | -4.08321 | 40 | 0 | 0 | 0 | 0 | 1 | 342.31 | 1.31579 | 13.5267 | 9.8265 | 13.6484 | 5.65289 | 3.8144 | 9.8265 | 687 | 40 | 0.253122 | -0.145468 | 0.0492772 | 0.0254962 | -0.00399241 | -0.0294406 | 0.011677 | -0.000738017 | -0.00224073 | -0.000713273 | -0.00210382 | 0.000141583 | -0.000161042 | 0.229791 | -0.0403784 | -0.11403 | 0.0236333 | 0.0126701 | 0.0266854 | -0.0252431 | 2519 | 386.581 | 459.508 | 397.167 | 17.1477 | 0 | 6.31173 | 0 | 0 | 0 | 2385.69
70 | Moxisylyte | 279.375 | 0 | 4 | 2.99912 | 38.77 | 445.611 | 31.676 | -3.04493 | 45 | 0 | 0 | 0 | 0 | 0 | 298.882 | 1 | 15.2841 | 9.30744 | 18.05 | 8.44444 | 7.55556 | 9.30744 | 865 | 45 | 0.543443 | 0.0129765 | -0.00930031 | -0.0348194 | 0.0990384 | -0.194233 | 0.0434876 | -0.00675804 | -0.0160381 | -0.00764847 | 0.000918907 | 0.0109126 | 0.00234335 | 0.648482 | -0.339362 | 0.0662956 | -0.0384825 | -0.0318819 | 0.113263 | -0.243949 | 3035.59 | 399.129 | 437.099 | 195.736 | 66.4908 | 20.8597 | 7.09716 | 0 | 24.1223 | 0 | 1697.55
70 | Pimozide | 447.52 | 1 | 4 | 5.05015 | 35.58 | 546.683 | 50.018 | -6.7767 | 60 | 1 | 1 | 1 | 1 | 0 | 617.278 | 1.07407 | 22.7859 | 16.0805 | 24.6837 | 11.3728 | 10.2528 | 16.0805 | 3516 | 60 | 0.571678 | 0.196978 | -0.160729 | 0.0513822 | -0.0246168 | 0.0172 | 0.188085 | 0.00028489 | -0.0978519 | -0.0206878 | 0.0103237 | 0.0137176 | 0.000896657 | 0.838294 | -0.397796 | 0.144262 | -0.256448 | 0.107323 | -0.0141737 | 0.0214368 | 4248.51 | 769.44 | 996.414 | 437.631 | 109.493 | 49.6462 | 0 | 8.77219 | 0 | 12.1871 | 3497.17
71 | Recainam | 263.379 | 3 | 4 | 2.2197 | 53.16 | 421.292 | 31.884 | -2.87766 | 44 | 0 | 0 | 0 | 0 | 0 | 258.116 | 1 | 14.2507 | 9.00291 | 17.0526 | 9.03125 | 8.71078 | 9.00291 | 864 | 44 | 0.476091 | 0.286111 | -0.192695 | -0.0102659 | 0.0236666 | 0.0924558 | 0.154346 | -0.00549828 | -0.0703431 | -0.0123723 | 0.00753597 | -0.0021498 | 0.00565444 | 0.741062 | -0.437361 | 0.299831 | -0.319197 | 0.0234778 | 0.0580498 | 0.113864 | 2872.81 | 316.231 | 355.94 | 166.818 | 49.6083 | 41.2061 | 0 | 6.44774 | 0 | 11.5233 | 1686.13
72 | Ceftizoxime | 383.405 | 4 | 10 | -0.0988224 | 147.21 | 423.788 | 35.454 | -2.85584 | 38 | 0 | 0 | 0 | 0 | 2 | 644.789 | 1.15385 | 18.1375 | 11.9348 | 19.7531 | 9.27392 | 8.04432 | 11.9348 | 1531 | 38 | 1.14516 | 0.113809 | 0.145288 | -0.20055 | -0.00888231 | 0.253393 | 0.269395 | -0.0346145 | -0.0807839 | -0.00309846 | -0.0377183 | 0.0211372 | -0.0301891 | 1.72552 | -0.938557 | 0.185886 | 0.0530234 | -0.208635 | 0.0617447 | 0.00284167 | 3486.79 | 825.316 | 903.928 | 845.632 | 230.389 | 113.918 | 130.349 | 96.8515 | 209.118 | 134.328 | 2084.56
72 | [NAME] | 102.092 | 3 | 4 | -0.89627 | 64.35 | 133.768 | 9.056 | 0.00585786 | 13 | 0 | 0 | 0 | 0 | 1 | 92.9357 | 1 | 5.27602 | 3.30453 | 5.14286 | 1.85185 | 3.84 | 3.30453 | 40 | 13 | 0.441182 | -0.210505 | 0.313225 | -0.197775 | 0.039615 | 0 | 0.062351 | -0.0106281 | -0.0205472 | -2.02374e-07 | 2.59769e-17 | -3.69779e-32 | 0 | 0.632065 | -0.247359 | -0.258061 | 0.395775 | -0.246003 | 0.039615 | 0 | 1127.03 | 172.041 | 90.4484 | 0 | 56.8892 | 15.1377 | 33.7226 | 0 | 0 | 0 | 293.155
73 | Benzbromarone | 424.083 | 1 | 3 | 5.1793 | 50.44 | 384.633 | 36.184 | -5.68005 | 34 | 1 | 1 | 1 | 1 | 0 | 404.708 | 1.13333 | 15.853 | 10.5241 | 16.8438 | 6.85714 | 5.26316 | 10.5241 | 988 | 34 | 0.646023 | -0.0694239 | 0.105655 | -0.112979 | 0.0574551 | -0.00910945 | 0.0533002 | -0.00852744 | 0.00559161 | -0.00888133 | -0.00915635 | -0.00516089 | -0.0114474 | 0.668112 | -0.360178 | 0.0357237 | 0.0493845 | -0.118802 | 0.0551829 | 0.105224 | 2705.2 | 634.459 | 961.207 | 709.342 | 90.3483 | 0 | 37.8255 | 35.931 | 31.9876 | 15.0005 | 2430.88
73 | Quetiapine | 383.508 | 1 | 5 | 2.87835 | 48.3 | 485.633 | 43.341 | -4.19527 | 52 | 0 | 0 | 0 | 0 | 0 | 490.047 | 1.19048 | 18.4765 | 13.3477 | 20.28 | 10.1563 | 7.39556 | 13.3477 | 1956 | 52 | 0.684933 | -0.255705 | 0.245223 | -0.0433837 | -0.0958358 | 0.0817619 | 0.0815873 | -0.0211121 | 7.47575e-05 | -0.0140616 | 0.00334051 | -0.00570363 | -0.00338905 | 0.833852 | -0.365803 | -0.151508 | 0.214749 | -0.0944891 | -0.0546328 | 0.0579243 | 3513.45 | 547.301 | 821.587 | 509.007 | 74.8733 | 4.90897 | 30.5748 | 23.1393 | 2.00233 | 19.7441 | 2986.93
75 | Almotriptan | 335.465 | 1 | 5 | 1.64334 | 56.41 | 432.988 | 38.42 | -3.38989 | 48 | 0 | 0 | 0 | 0 | 0 | 388.035 | 1.14286 | 16.4494 | 10.9543 | 17.8112 | 7.48611 | 8.59375 | 10.9543 | 1257 | 48 | 0.494238 | -0.0199578 | -0.0500972 | 0.0693924 | 0.0112445 | -0.165765 | 0.350873 | -0.180956 | -0.00141477 | -0.000374617 | -0.0217926 | -0.0218151 | 0.155197 | 1.06466 | -0.675989 | 0.209537 | -0.108994 | 0.158036 | -0.120538 | -0.0595827 | 3373.89 | 549.288 | 517.122 | 357.815 | 226.98 | 36.6156 | 0 | 0 | 4.95416 | 40.7076 | 2659.29
75 | Clavulanic_acid | 199.161 | 2 | 6 | -1.55922 | 87.07 | 229.868 | 17.274 | 0.200507 | 23 | 0 | 0 | 0 | 0 | 2 | 307.836 | 1.28571 | 10.2925 | 6.64707 | 10.5156 | 4.68 | 4.38781 | 6.64707 | 285 | 23 | 0.882239 | 0.133524 | -0.200205 | 0.163338 | -0.0632442 | 0.0708928 | 0.106909 | -0.0227309 | -0.0092859 | -0.00629473 | -0.0517238 | 0.0365808 | -2.84128e-16 | 1.17393 | -0.634973 | 0.289339 | -0.382437 | 0.0356581 | 0.10747 | 0.0318498 | 2043.47 | 399.647 | 268.133 | 194.247 | 97.9723 | 52.7217 | 37.6884 | 68.2199 | 42.0631 | 27.3034 | 815.418
75 | Ketoconazole | 531.43 | 0 | 8 | 4.06263 | 69.06 | 634.715 | 54.488 | -6.42072 | 64 | 1 | 1 | 1 | 1 | 2 | 734.733 | 1 | 25.1227 | 17.4155 | 27.5625 | 12.4531 | 12.1645 | 17.4155 | 4692 | 64 | 1.04376 | -0.143597 | 0.155812 | -0.178047 | 0.101637 | 0.0474383 | 0.205552 | -0.00383421 | -0.0971793 | -0.00164192 | 0.0121652 | -0.0168778 | -0.00721313 | 1.17517 | -0.504548 | 0.0159788 | -0.0476528 | -0.24154 | 0.257599 | -0.0550984 | 4737.36 | 790.53 | 831.245 | 615.27 | 158.75 | 31.422 | 57.5925 | 85.7134 | 55.6872 | 55.2376 | 3410.05
75 | Mesna | 142.199 | 1 | 3 | -0.32598 | 54.37 | 172.015 | 12.355 | -0.46745 | 13 | 0 | 0 | 0 | 0 | 0 | 54.8966 | 0 | 5.91421 | 3.06066 | 7 | 2.34375 | 6 | 3.06066 | 46 | 13 | 0.367341 | 0.180302 | -0.158622 | 0.127657 | -0.0928096 | 0.0240343 | 0.279787 | -0.186286 | 0.0463927 | -2.65002e-16 | 4.19284e-17 | 5.3926e-33 | 0 | 1.05421 | -0.839682 | 0.558215 | -0.347088 | 0.212469 | -0.135055 | 0.0240343 | 1272.8 | 373.399 | 158.887 | 0 | 261.445 | 47.7221 | 67.9206 | 59.3077 | 0 | 0 | 507.859
75 | Oseltamivir | 312.405 | 3 | 6 | 0.997162 | 90.65 | 488.073 | 33.442 | -2.00748 | 50 | 0 | 0 | 0 | 0 | 3 | 396.097 | 1 | 16.6983 | 10.4215 | 20.0455 | 9.98811 | 7.42188 | 10.4215 | 1060 | 50 | 0.812792 | 0.131118 | 0.170114 | -0.533211 | 0.527888 | -0.0802005 | 0.109739 | -0.0260444 | -0.019946 | -0.00204566 | 0.00505768 | -0.00740129 | 1.06746e-05 | 1.12356 | -0.667384 | 0.25443 | 0.0621037 | -0.665914 | 0.783085 | -0.156494 | 3464.09 | 355.882 | 230.069 | 223.218 | 75.4684 | 29.2893 | 20.5017 | 5.21317 | 56.4485 | 34.0114 | 1827.07
75 | Primidone | 218.252 | 2 | 4 | 1.52636 | 58.2 | 299.12 | 23.796 | -2.47741 | 30 | 0 | 0 | 0 | 0 | 0 | 279.394 | 1 | 11.596 | 7.71438 | 12.4567 | 5.10417 | 3.02973 | 7.71438 | 385 | 30 | 0.501413 | 0.117445 | -0.282251 | 0.395301 | -0.161272 | -0.0296063 | 0.127979 | -0.0216895 | -0.0222136 | -0.0197863 | -8.40129e-05 | 0.000164075 | -0.000379863 | 0.83193 | -0.406098 | 0.170182 | -0.501388 | 0.575692 | -0.219378 | -0.0311601 | 2253.9 | 429.193 | 385.188 | 341.158 | 53.552 | 42.9151 | 0 | 35.0512 | 0 | 0 | 1422.6
77 | Ethylmorphine | 299.364 | 2 | 4 | 1.20326 | 52.93 | 361.414 | 32.428 | -2.32941 | 43 | 0 | 0 | 0 | 0 | 5 | 496.969 | 1.61111 | 15.0601 | 10.6639 | 14.3521 | 4.7619 | 2.92195 | 10.6639 | 825 | 43 | 0.724138 | -0.192904 | 0.353645 | -0.250606 | -0.0782549 | 0.280641 | 0.00398441 | 0.000573337 | -0.00121533 | -0.000826293 | -0.00055925 | -7.70015e-06 | 4.30319e-05 | 0.676234 | -0.310282 | -0.170517 | 0.317292 | -0.219642 | -0.0801566 | 0.277493 | 2858.22 | 344.626 | 344.436 | 191.198 | 50.8529 | 0 | 33.109 | 0 | 7.45018 | 19.5536 | 2615.45
77 | Pantoprazole | 383.371 | 1 | 7 | 0.116993 | 83.98 | 419.449 | 36.651 | -3.1969 | 41 | 0 | 0 | 0 | 0 | 0 | 496.377 | 1.13333 | 18.6814 | 12.5116 | 20.727 | 9.46746 | 8.28 | 12.5116 | 1806 | 41 | 1.01346 | -0.106207 | 0.148649 | -0.0495133 | -0.0658635 | 0.0459008 | 2.3408 | 1.01232 | 0.0743266 | -0.221533 | -0.101086 | 0.00550136 | 0.0395711 | 3.26259 | 0.5772 | -0.215062 | -0.133764 | -0.204971 | -0.461683 | 0.123791 | 3521.27 | 1940.5 | 1844.22 | 1849.56 | 1174.67 | 109.108 | 94.8631 | 162.173 | 196.288 | 228.851 | 2295.26
77 | Sibutramine | 279.848 | 0 | 1 | 5.12733 | 3.24 | 437.494 | 33.124 | -4.83938 | 45 | 1 | 1 | 1 | 1 | 1 | 274.987 | 1 | 14.0436 | 8.95403 | 15.39 | 7.1358 | 5.47919 | 8.95403 | 666 | 45 | 0.173453 | -0.071598 | 0.0308106 | 0.049102 | -0.0855139 | -0.0801483 | 0.000335486 | -5.47894e-05 | -0.000114709 | 5.31195e-05 | -5.13639e-05 | -9.08248e-17 | 1.3952e-17 | 0.170331 | -0.0292979 | -0.070665 | 0.0298948 | 0.0498483 | -0.0825269 | -0.080886 | 2704.11 | 225.481 | 253.302 | 18.3286 | 31.5502 | 0 | 0 | 0 | 0 | 0 | 2120.8
77 | Tolterodine | 325.488 | 1 | 2 | 5.59108 | 23.47 | 521.019 | 40.432 | -5.14996 | 55 | 1 | 1 | 1 | 1 | 1 | 339.879 | 1 | 17.6899 | 11.3968 | 20.3136 | 9.62976 | 7.84259 | 11.3968 | 1311 | 55 | 0.38895 | 0.0351775 | -0.116481 | -0.0200335 | 0.0804533 | 0.0757613 | 0.003291 | -0.000386074 | -0.000853155 | -0.000180698 | -0.000245504 | -2.58802e-06 | 1.82711e-05 | 0.369728 | -0.157805 | 0.0584325 | -0.126429 | -0.017557 | 0.0715593 | 0.0804839 | 3358.53 | 418.2 | 472.827 | 422.77 | 20.2525 | 0 | 0 | 0 | 0 | 7.0854 | 2565.73
78 | Guanabenz | 231.081 | 4 | 4 | 3.72856 | 74.26 | 274.064 | 22.782 | -4.3655 | 22 | 0 | 0 | 0 | 0 | 0 | 211.632 | 1 | 10.552 | 6.60906 | 12.0714 | 5.77778 | 5.48097 | 6.60906 | 331 | 22 | 0.425636 | 0.220998 | -0.242181 | 0.0806132 | 0.0506368 | -0.165341 | 0.203363 | -0.0389009 | -0.0891149 | 0.0323816 | -0.0116447 | 0.00760511 | 0.00302973 | 0.795481 | -0.495328 | 0.195948 | -0.122924 | 0.0608324 | 0.0187404 | -0.259923 | 1806.47 | 484.547 | 591.214 | 305.195 | 108.924 | 25.0425 | 9.29101 | 52.5582 | 59.7724 | 0 | 1087.42
78 | Mefloquine | 378.312 | 2 | 3 | 3.82442 | 45.15 | 391.716 | 32.343 | -4.67493 | 42 | 0 | 0 | 0 | 0 | 2 | 482.854 | 1.125 | 19.1125 | 12.0874 | 20.727 | 7.78799 | 6.54222 | 12.0874 | 1491 | 42 | 0.954685 | -0.119454 | 0.251882 | -0.00205369 | -0.0426121 | -0.348277 | 0.0213256 | -0.0103101 | 0.00915244 | -0.0116686 | 0.00200936 | 0.000154064 | -4.36956e-16 | 1.04402 | -0.581982 | -0.148435 | 0.257983 | 0.0205232 | -0.0322494 | -0.337418 | 3513.49 | 522.168 | 837.508 | 591.432 | 169.998 | 153.241 | 32.2224 | 26.8263 | 5.89315 | 53.3285 | 2203.8
78 | Urapidil | 387.476 | 1 | 8 | 1.57604 | 68.36 | 529.466 | 42.452 | -3.58498 | 57 | 0 | 0 | 0 | 0 | 0 | 570.477 | 1 | 20.0956 | 13.5072 | 22.68 | 10.8578 | 8.34568 | 13.5072 | 2502 | 57 | 0.891309 | 0.132572 | -0.233273 | 0.303418 | -0.230787 | 0.0513301 | 0.387961 | -0.00539862 | -0.107021 | -0.125284 | 0.0437234 | 1.50687e-16 | 5.26647e-16 | 1.44727 | -0.728557 | 0.418464 | -0.721907 | 0.553859 | -0.293545 | 0.0416795 | 4070.26 | 553.81 | 674.327 | 29.7691 | 123.561 | 91.1285 | 22.34 | 64.0586 | 0 | 16.7133 | 2484.71
79 | [NAME] | 456.575 | 0 | 7 | 2.39533 | 60.47 | 651.53 | 50.472 | -3.87446 | 69 | 0 | 1 | 0 | 1 | 0 | 591.03 | 1.11765 | 23.7943 | 15.9814 | 27.5853 | 13.9212 | 9.52066 | 15.9814 | 3927 | 69 | 1.01722 | -0.377994 | 0.342853 | 0.10162 | -0.554664 | 0.201993 | 0.0731639 | -0.0100687 | -0.025256 | -0.00380764 | -0.00256148 | 0.00880624 | 0.0038041 | 1.09006 | -0.399573 | -0.306464 | 0.32267 | 0.103243 | -0.587143 | 0.162838 | 4711.52 | 659.491 | 720.46 | 240.379 | 103.59 | 12.6831 | 37.1354 | 6.85195 | 0 | 61.1125 | 3019.64
80 | Acetohexamide | 324.396 | 2 | 6 | 2.42267 | 92.34 | 417.552 | 33.575 | -4.12423 | 42 | 0 | 0 | 0 | 0 | 0 | 396.788 | 1 | 16.1649 | 10.3818 | 18.3403 | 8.20313 | 7.90843 | 10.3818 | 1176 | 42 | 0.592835 | 0.394964 | -0.360827 | 0.228412 | -0.0761293 | -0.0969284 | 0.458235 | -0.184126 | 0.0184126 | -0.149195 | 0.0867569 | 0.0320726 | -0.069263 | 1.68249 | -1.08093 | 0.810453 | -1.0792 | 0.741416 | -0.0619758 | -0.404303 | 3348.06 | 745.026 | 877.649 | 443.668 | 276.663 | 84.1518 | 87.8998 | 44.5848 | 0 | 57.0246 | 2032.46
80 | Allopurinol | 136.112 | 2 | 5 | 0.884058 | 74.69 | 142.593 | 13.125 | -1.41822 | 14 | 0 | 0 | 0 | 0 | 0 | 130.816 | 1.22222 | 6.97469 | 4.87701 | 6.69421 | 2.56 | 3.11111 | 4.87701 | 105 | 14 | 0.514541 | 0.122177 | -0.293283 | 0.347617 | -0.19602 | 0.0508144 | 0.156752 | -0.088509 | 0.0186665 | 0.0193072 | -0.0278406 | 1.75487e-17 | -5.3926e-33 | 0.793401 | -0.529483 | 0.360165 | -0.46368 | 0.432279 | -0.246797 | 0.0508144 | 1313.47 | 401.644 | 547.811 | 0 | 38.0777 | 15.3371 | 3.45168 | 38.0364 | 0 | 0 | 551.503
80 | Carvedilol | 406.474 | 3 | 6 | 3.79007 | 75.74 | 515.901 | 47.542 | -5.02075 | 56 | 0 | 0 | 0 | 0 | 1 | 507.598 | 1.21053 | 20.7609 | 14.7584 | 23.168 | 11.7438 | 10.4533 | 14.7584 | 3062 | 56 | 1.00992 | -0.209975 | 0.462388 | -0.302944 | -0.183806 | 0.303142 | 0.0462607 | 0.00583633 | -0.0234314 | 0.00106396 | -0.00907145 | 0.00235921 | 0.000112957 | 0.888687 | -0.414471 | -0.167329 | 0.410409 | -0.273131 | -0.179642 | 0.31129 | 3891.06 | 664.218 | 929.092 | 344.095 | 74.0199 | 13.0141 | 37.3257 | 0 | 10.4048 | 38.3246 | 3041.99
80 | Chlorpheniramine | 275.776 | 0 | 3 | 3.78404 | 19.37 | 379.033 | 32.569 | -4.22456 | 37 | 0 | 0 | 0 | 0 | 0 | 251.775 | 1 | 13.6649 | 9.1647 | 15.39 | 7.69527 | 7.3728 | 9.1647 | 718 | 37 | 0.306665 | -0.0215015 | 0.0131883 | -0.0900733 | 0.0912146 | -0.0192302 | 0.0587213 | -0.0117389 | -0.0156462 | -0.00818088 | 0.00617877 | -0.00509941 | 0.00843247 | 0.38026 | -0.169279 | 0.021791 | -0.0675472 | -0.0431095 | 0.160458 | -0.0428697 | 2504.84 | 463.872 | 612.051 | 399.741 | 56.9756 | 7.64214 | 7.83563 | 0 | 28.3315 | 0 | 1962.97
80 | Clonazepam | 315.711 | 1 | 6 | 2.6747 | 87.28 | 353.608 | 32.859 | -4.39305 | 32 | 0 | 0 | 0 | 0 | 0 | 485.143 | 1.11765 | 15.6899 | 10.5586 | 16.8438 | 7.26644 | 4.99671 | 10.5586 | 959 | 32 | 0.433875 | -0.0273676 | 0.103957 | -0.0715393 | -0.0385251 | 0.1124 | 0.581097 | -0.334187 | 0.0854281 | -0.0809494 | 0.135097 | -0.127548 | 0.103475 | 1.48127 | -0.812863 | 0.0502842 | 0.101409 | 0.217279 | -0.596361 | 0.693968 | 2922.65 | 928.245 | 1148.03 | 1179.89 | 92.8745 | 29.3508 | 8.33336 | 5.36298 | 0 | 72.4084 | 2318.19
80 | [NAME] | 314.253 | 1 | 9 | 1.69179 | 120.73 | 352.582 | 30.581 | -3.6492 | 33 | 0 | 0 | 0 | 0 | 0 | 517.884 | 1 | 16.397 | 11.0249 | 17.8112 | 7.92 | 9.15713 | 11.0249 | 1396 | 33 | 0.766237 | 0.13648 | -0.0800735 | 0.215637 | -0.39015 | 0.0610518 | 0.681106 | -0.313143 | -0.0150223 | -0.0968352 | 0.0979991 | 0.00124211 | 0.0372437 | 1.9174 | -0.965692 | 0.124605 | -0.256184 | 0.427114 | -0.385939 | -0.23335 | 3279.13 | 953.479 | 1070.35 | 680.1 | 131.851 | 90.3968 | 45.8178 | 41.5716 | 0 | 35.7866 | 1690.23
80 | Enoximone | 246.286 | 0 | 4 | 1.31732 | 58.86 | 305.914 | 26.254 | -2.47874 | 27 | 0 | 0 | 0 | 0 | 0 | 395.555 | 1 | 12.4138 | 8.11339 | 13.4321 | 5.76 | 5.44444 | 8.11339 | 535 | 27 | 0.460842 | 0.0807502 | 0.0300895 | -0.0508016 | -0.0462124 | 0.0427923 | 0.142133 | -0.0215309 | -0.076738 | 0.0237595 | 0.0237337 | -0.0242346 | 0.00724606 | 0.711162 | -0.443092 | 0.0187979 | 0.0825916 | 0.051105 | -0.090218 | -0.0056452 | 2274.63 | 729.927 | 940.717 | 613.904 | 133.685 | 33.2743 | 7.34018 | 7.3699 | 39.9857 | 22.3796 | 1486.52
80 | Floxacillin | 453.873 | 2 | 8 | 3.1912 | 112.74 | 509.473 | 42.576 | -5.26928 | 47 | 0 | 0 | 0 | 0 | 3 | 738.983 | 1.11111 | 21.9553 | 14.0414 | 23.168 | 9.0944 | 7.53578 | 14.0414 | 2402 | 47 | 1.04847 | 0.128186 | -0.0795225 | -0.0617286 | -0.0201549 | 0.174995 | 0.24195 | -0.0662588 | -0.0121422 | -0.0292082 | -0.0642915 | 0.0695808 | -0.00885591 | 1.52387 | -0.803157 | 0.419614 | -0.403536 | -0.174985 | 0.280938 | 0.0251108 | 4092.74 | 844.621 | 932.888 | 995.017 | 219.04 | 66.8356 | 89.8189 | 180.764 | 128.718 | 104.498 | 2902.72
80 | Flunarizine | 404.495 | 0 | 2 | 5.66484 | 6.48 | 522.689 | 46.532 | -6.45849 | 56 | 1 | 1 | 1 | 1 | 0 | 481.26 | 1 | 20.7609 | 14.6867 | 23.168 | 11.7438 | 10.9339 | 14.6867 | 2790 | 56 | 0.39439 | -0.13044 | 0.0953648 | -0.0462724 | -0.150616 | 0.130212 | 0.00257538 | -0.000756919 | 0.000211208 | -0.000373986 | 0.000314486 | -0.000840172 | 0.00082461 | 0.389272 | -0.120213 | -0.112448 | 0.082129 | -0.028672 | -0.14874 | 0.106969 | 3770.32 | 706.176 | 849.248 | 408.648 | 53.6937 | 0 | 2.99916 | 0 | 0 | 17.1666 | 3021.12
80 | Fluoxetine | 309.326 | 1 | 2 | 4.61568 | 21.26 | 391.697 | 30.984 | -4.70659 | 40 | 0 | 0 | 0 | 0 | 1 | 307.516 | 1 | 16.0018 | 10.5033 | 18.3403 | 8.74089 | 8.44444 | 10.5033 | 1148 | 40 | 0.59627 | -0.0420633 | 0.0726491 | 0.0926227 | -0.250009 | 0.19768 | 0.00435042 | -0.00109929 | 0.000527526 | -0.000711829 | -0.000805604 | -5.07457e-05 | 0.000138813 | 0.576306 | -0.328592 | -0.00219431 | 0.0310752 | 0.133231 | -0.249596 | 0.1986 | 2955.47 | 496.118 | 639.109 | 401.349 | 98.1815 | 76.3727 | 0 | 6.79901 | 0 | 66.7209 | 1695.01
80 | [NAME] | 213.277 | 4 | 5 | 1.19722 | 80.36 | 302.416 | 22.738 | -2.10464 | 34 | 0 | 0 | 0 | 0 | 1 | 238.822 | 1.1 | 10.7258 | 7.20191 | 11.4844 | 4.88843 | 6.22222 | 7.20191 | 391 | 34 | 0.661877 | 0.358002 | -0.287767 | -0.044411 | 0.167513 | -0.04327 | 0.175648 | -0.0293715 | -0.0584523 | -3.77923e-16 | 3.86622e-16 | -4.9912e-16 | 4.12402e-16 | 0.974994 | -0.6988 | 0.529576 | -0.355794 | -0.132897 | 0.210222 | -0.0276091 | 2258.36 | 143.364 | 74.8966 | 62.7183 | 58.6976 | 31.8248 | 14.8647 | 14.7099 | 15.7457 | 15.5817 | 1148
80 | Isoniazid | 137.139 | 3 | 4 | -0.819442 | 68.01 | 183.887 | 14.474 | -0.375156 | 17 | 0 | 0 | 0 | 0 | 0 | 120.161 | 1 | 7.39734 | 4.84254 | 8.1 | 4 | 3.70248 | 4.84254 | 121 | 17 | 0.410139 | -0.10945 | 0.196607 | -0.159291 | 0.013541 | 0.0648543 | 0.152341 | -0.00145272 | -0.0542086 | -0.0177204 | -0.014407 | 0.0188479 | -0.00722983 | 0.690311 | -0.27378 | -0.0812876 | 0.231178 | -0.354263 | 0.102329 | 0.0906631 | 1406.08 | 357.319 | 424.13 | 141.608 | 52.6589 | 12.502 | 8.2971 | 0 | 13.5503 | 6.40621 | 587.229
80 | Itraconazole | 705.633 | 0 | 12 | 6.52705 | 100.79 | 845.247 | 74.437 | -9.7523 | 87 | 3 | 4 | 1 | 1 | 3 | 1105.75 | 1 | 33.9592 | 23.8136 | 37.321 | 16.9896 | 15.4806 | 23.8136 | 12096 | 87 | 1.23483 | -0.112889 | 0.0267145 | -0.0180918 | 0.12867 | -0.141712 | 0.449367 | -0.0790202 | -0.200293 | 0.0145108 | 0.0140525 | 0.0398471 | 0.00919068 | 1.79522 | -0.735405 | -0.213765 | -0.0762412 | 0.0677478 | 0.206925 | -0.258131 | 6460.99 | 1148.12 | 1479.5 | 954.796 | 232.313 | 96.2197 | 59.3182 | 99.5914 | 68.6045 | 64.9422 | 4865.87
80 | Mesalamine | 153.135 | 4 | 4 | 0.975482 | 83.55 | 190.203 | 15.106 | -1.66066 | 18 | 0 | 0 | 0 | 0 | 0 | 159.765 | 1 | 8.43072 | 5.10906 | 9.09091 | 3.6 | 3.26531 | 5.10906 | 148 | 18 | 0.720743 | 0.190155 | -0.228575 | 0.137073 | 0.271776 | -0.391544 | 0.0529621 | -0.0144115 | -0.00890411 | -0.000504728 | 0.00224758 | -0.00490828 | -5.07644e-18 | 0.809901 | -0.572347 | 0.312423 | -0.279457 | 0.146396 | 0.246043 | -0.394667 | 1538.77 | 389.422 | 494.312 | 157.016 | 63.2794 | 15.9842 | 0 | 33.7724 | 43.6868 | 0 | 668.943
80 | Methadone | 309.445 | 0 | 2 | 4.61632 | 20.31 | 491.14 | 38.046 | -4.57761 | 50 | 0 | 0 | 0 | 0 | 1 | 340.558 | 1 | 16.872 | 11.0189 | 19.3264 | 8.90909 | 5.78567 | 11.0189 | 1044 | 50 | 0.292465 | -0.123359 | -0.0576617 | 0.0191402 | 0.233046 | -0.0468049 | 0.00923517 | -0.00460822 | -0.000518905 | 0.000746331 | -0.000112981 | 3.90942e-05 | -0.000166877 | 0.35959 | -0.0739057 | -0.134822 | -0.0549891 | 0.00573407 | 0.262554 | -0.0384939 | 3173.23 | 503.997 | 476.242 | 644.117 | 21.1915 | 0 | 0 | 0 | 7.06443 | 0 | 2581.06
80 | [NAME] | 165.232 | 2 | 2 | 1.68523 | 35.25 | 265.498 | 19.762 | -1.80571 | 27 | 0 | 0 | 0 | 0 | 1 | 127.007 | 1 | 8.97469 | 5.71955 | 10.0833 | 4.88889 | 5.32544 | 5.71955 | 209 | 27 | 0.328743 | -0.0121858 | -0.043336 | 0.0661535 | -0.118826 | 0.173655 | 0.00364996 | -0.000787908 | -0.000164408 | -0.00027877 | -0.000593896 | -6.40077e-17 | -4.04637e-17 | 0.312482 | -0.148943 | 0.019092 | -0.058161 | 0.0818807 | -0.137376 | 0.17594 | 1720.68 | 230.413 | 255.6 | 16.9115 | 20.6402 | 0 | 0 | 0 | 0 | 6.3532 | 943.419
80 | Methylphenidate | 233.306 | 1 | 3 | 2.03205 | 38.33 | 343.657 | 26.414 | -2.43876 | 36 | 0 | 0 | 0 | 0 | 2 | 243.6 | 1 | 12.0876 | 8.3257 | 13.4321 | 6.80529 | 5.44444 | 8.3257 | 498 | 36 | 0.448754 | -0.0523289 | -0.120878 | 0.306841 | -0.0322291 | -0.140508 | 0.037499 | -0.0114837 | -0.00770874 | 0.00066602 | -0.000138261 | 5.47661e-05 | -0.000139604 | 0.591001 | -0.29865 | -0.00976842 | -0.156146 | 0.33744 | -0.0303433 | -0.145567 | 2427.61 | 350.926 | 282.234 | 225.475 | 38.5825 | 17.5475 | 0 | 13.3989 | 0 | 0 | 1516.75
80 | Modafinil | 273.351 | 2 | 3 | 0.608352 | 60.16 | 357.743 | 30.799 | -2.07365 | 34 | 0 | 0 | 0 | 0 | 0 | 267.87 | 1 | 13.6649 | 9.18154 | 15.39 | 7.69527 | 6.81657 | 9.18154 | 684 | 34 | 0.397082 | 0.0505615 | -0.201235 | 0.178289 | -0.0762419 | 0.101457 | 2.23789 | 0.9025 | 0.104822 | -0.063357 | -0.0704823 | 0.00606612 | 0.00171158 | 2.49738 | 0.625716 | 0.739734 | -1.1532 | -0.0882148 | 0.255454 | 0.361166 | 2525.56 | 1305.62 | 799.554 | 1264.91 | 336.464 | 12.219 | 0 | 124.46 | 0 | 0 | 2003.4
80 | Nabumetone | 228.286 | 0 | 2 | 3.07729 | 26.3 | 324.097 | 27.602 | -3.31763 | 33 | 0 | 0 | 0 | 0 | 0 | 261.647 | 1.2 | 12.2507 | 8.18587 | 13.4321 | 6.25 | 5.92817 | 8.18587 | 566 | 33 | 0.307278 | -0.00806427 | -0.060911 | -0.0375635 | 0.0828031 | -0.0596776 | 0.0139192 | -0.00558411 | -0.000544237 | -0.000371297 | -0.00045217 | -0.00101881 | 0.00136364 | 0.359362 | -0.140778 | 0.0320384 | -0.0697372 | -0.0570498 | 0.0918603 | -0.0617866 | 2267.06 | 478.349 | 503.859 | 309.707 | 36.5545 | 0 | 0 | 0 | 0 | 0 | 1661.87
80 | Omeprazole | 344.409 | 0 | 6 | 0.012921 | 73.14 | 424.743 | 37.584 | -2.88726 | 42 | 0 | 0 | 0 | 0 | 0 | 453.042 | 1.13333 | 17.2672 | 11.5284 | 18.7811 | 8.13148 | 6.68245 | 11.5284 | 1419 | 42 | 0.653922 | -0.111535 | 0.0124846 | -0.0951816 | 0.146959 | -0.128493 | 2.44612 | 0.919459 | -0.604245 | -0.735389 | -0.235976 | -0.0268491 | -0.0380629 | 3.28592 | 0.58044 | -0.797132 | -0.976773 | -0.312425 | 0.423877 | -0.762077 | 3226.46 | 1707.62 | 1331.12 | 1409.75 | 1095.09 | 39.531 | 69.7191 | 38.322 | 124.48 | 191.532 | 2380.19
80 | Oxamniquine | 279.335 | 3 | 6 | 1.52176 | 90.11 | 391.562 | 29.782 | -2.64757 | 41 | 0 | 0 | 0 | 0 | 1 | 327.135 | 1.2 | 14.6983 | 9.50724 | 16.3719 | 7.31986 | 6.12 | 9.50724 | 847 | 41 | 0.521097 | -0.0268886 | 0.0146086 | -0.168299 | 0.251318 | -0.0469497 | 0.439084 | -0.287386 | 0.033952 | 0.0581303 | 0.00377246 | -0.0280113 | 9.23654e-16 | 1.20169 | -0.687507 | 0.04155 | 0.135753 | -0.480755 | 0.679736 | -0.206965 | 3036.99 | 499.128 | 492.58 | 177.687 | 53.2212 | 13.128 | 5.86907 | 0 | 50.5781 | 12.137 | 1756.03
80 | Pramipexole | 211.328 | 3 | 3 | 0.361997 | 50.94 | 289.452 | 23.846 | -1.54954 | 31 | 0 | 0 | 0 | 0 | 1 | 188.206 | 1.22222 | 9.96626 | 6.79202 | 10.5156 | 4.68 | 5.48097 | 6.79202 | 318 | 31 | 0.34882 | 0.173541 | -0.141382 | 0.0123256 | 0.00145543 | 0.0870157 | 0.0893796 | -0.0122343 | -0.0227075 | -0.00974795 | -8.04505e-16 | -6.4403e-16 | 1.00907e-15 | 0.495746 | -0.333245 | 0.221242 | -0.143439 | -0.052289 | 0.0481546 | 0.0562169 | 2007.88 | 171.979 | 158.12 | 21.8532 | 57.5841 | 37.4651 | 0 | 9.58991 | 1.96136 | 6.50948 | 1346.6
80 | Quinidine | 324.417 | 1 | 4 | 2.58439 | 45.59 | 432.536 | 38.065 | -3.39975 | 48 | 0 | 0 | 0 | 0 | 4 | 456.92 | 1.33333 | 16.6814 | 11.707 | 17.4156 | 7.31887 | 5.7619 | 11.707 | 1286 | 48 | 0.583722 | -0.124667 | 0.125635 | -0.188372 | 0.0498904 | 0.131513 | 0.0229646 | -0.00912089 | 0.00115219 | 0.0013737 | -0.00367559 | -0.00332224 | 0.00211383 | 0.651446 | -0.261379 | -0.101529 | 0.141733 | -0.268463 | 0.132215 | 0.117228 | 3153.12 | 471.834 | 576.918 | 247.611 | 35.3373 | 0 | 5.67669 | 0 | 12.8653 | 17.1905 | 2686.13
80 | [NAME] | 376.364 | 5 | 10 | -1.87419 | 155.05 | 450.897 | 38.245 | -1.09066 | 47 | 0 | 0 | 0 | 0 | 3 | 661.933 | 1.28571 | 19.878 | 12.7225 | 21.7027 | 8.78853 | 6.2374 | 12.7225 | 1698 | 47 | 1.4007 | 0.027384 | 0.173262 | -0.0516381 | 0.0546895 | -0.260041 | 0.350803 | -0.0290638 | -0.0879119 | -0.0798478 | 0.0404635 | -0.0279449 | 0.0254346 | 2.10144 | -1.11402 | 0.301729 | -0.308851 | -0.00190314 | 0.130531 | -0.282936 | 3776.38 | 689.168 | 1025.65 | 692.709 | 131.966 | 46.2644 | 91.0601 | 118.805 | 40.1824 | 31.7874 | 2627.53
80 | Terbinafine | 291.43 | 0 | 1 | 5.91659 | 3.24 | 464.164 | 37.944 | -5.55001 | 47 | 1 | 1 | 1 | 1 | 0 | 411.4 | 1.2 | 16.0018 | 10.4553 | 18.3403 | 8.74089 | 9.69388 | 10.4553 | 1273 | 47 | 0.18385 | -0.0525813 | -0.0148451 | 0.0112722 | 0.0154177 | -0.0494269 | 7.27607e-05 | -6.11625e-06 | -2.38607e-05 | -1.37549e-05 | -9.14961e-06 | 1.32864e-05 | 2.03282e-06 | 0.182889 | -0.026301 | -0.052355 | -0.0143708 | 0.0115992 | 0.0119017 | -0.0486881 | 2922.97 | 441.938 | 520.324 | 195.304 | 2.88999 | 0 | 0 | 0 | 0 | 0 | 2265.3
80 | Ticlopidine | 263.786 | 0 | 1 | 2.96351 | 3.24 | 313.458 | 29.161 | -3.82302 | 31 | 0 | 0 | 0 | 0 | 0 | 260.607 | 1.13333 | 11.6649 | 8.3265 | 12.0554 | 5.32544 | 5.92817 | 8.3265 | 533 | 31 | 0.176036 | -0.0760089 | -0.0115517 | 0.0556162 | -0.0207892 | -0.0263374 | 0.00453619 | 0.000739526 | -0.00303071 | 4.84679e-05 | 0.000223799 | 0.000254815 | -0.000634274 | 0.165483 | -0.033143 | -0.0660214 | -0.00473451 | 0.0400025 | -0.0234947 | -0.0170153 | 2077.5 | 348.46 | 379.17 | 130.449 | 64.4235 | 0 | 0 | 19.1364 | 0 | 0 | 1814.04
80 | Trimeprazine | 298.447 | 0 | 2 | 4.55555 | 6.48 | 411.687 | 36.946 | -4.94928 | 43 | 0 | 0 | 0 | 0 | 1 | 311.18 | 1.28571 | 14.8196 | 10.1479 | 15.879 | 7.05078 | 5.95041 | 10.1479 | 880 | 43 | 0.258458 | -0.132739 | 0.0887961 | -0.00273312 | -0.0510005 | -0.0121428 | 0.0283596 | 0.00254375 | -0.0123376 | -0.00461649 | -0.00289162 | 0.000298063 | 0.00273484 | 0.215722 | -0.0368567 | -0.110988 | 0.0505789 | -0.0119144 | -0.0344062 | 0.0339615 | 2740.2 | 423.904 | 662.293 | 317.344 | 55.7203 | 0 | 26.148 | 7.62251 | 0 | 0 | 2659.42
80 | Trimipramine | 294.434 | 0 | 2 | 4.26463 | 6.48 | 434.89 | 37.916 | -4.59201 | 48 | 0 | 0 | 0 | 0 | 1 | 316.599 | 1.26667 | 15.5267 | 10.6479 | 16.8438 | 7.7135 | 5.5515 | 10.6479 | 979 | 48 | 0.244869 | -0.0914301 | 0.0466047 | -0.0399546 | -0.0280844 | 0.021684 | 0.0300804 | 0.00320503 | -0.0141692 | -0.00300817 | -0.0040489 | 0.000190644 | 0.00212219 | 0.215436 | -0.0312146 | -0.0774116 | 0.00441384 | -0.0257586 | -0.0198798 | 0.0696394 | 2949.63 | 387.918 | 496.501 | 347.642 | 24.8838 | 0 | 0 | 7.66481 | 0 | 0 | 2742.74
80 | Vitamin_A | 286.452 | 1 | 1 | 4.04629 | 20.23 | 492.669 | 36.377 | -3.79518 | 51 | 0 | 0 | 0 | 0 | 0 | 437.98 | 1 | 15.8805 | 9.86421 | 19.0476 | 9.20918 | 8.26531 | 9.86421 | 1114 | 51 | 0.279149 | -0.00368945 | -0.0285832 | 0.0137886 | -0.0578633 | 0.0700689 | 0.00260227 | -0.00146208 | 0.00105933 | -0.00102952 | 0.00116173 | -0.000908623 | 0.000556778 | 0.280843 | -0.111666 | 0.0145596 | -0.0521852 | 0.0348283 | -0.076958 | 0.0891045 | 3029.01 | 324.637 | 268.387 | 175.231 | 10.7601 | 0 | 0 | 0 | 0 | 0 | 2096.77
81 | Flecainide | 414.343 | 2 | 5 | 4.56232 | 59.59 | 467.403 | 33.487 | -5.22503 | 48 | 0 | 0 | 0 | 0 | 1 | 494.493 | 1 | 20.7862 | 13.0336 | 24.2711 | 10.8578 | 13.0401 | 13.0336 | 2232 | 48 | 1.23743 | -0.184416 | 0.271268 | -0.263713 | 0.655229 | -0.48032 | 0.0722815 | -0.0151289 | -0.0164733 | -0.00243158 | 0.000622289 | -0.00272929 | 7.74107e-18 | 1.36797 | -0.72663 | -0.0486059 | 0.182411 | -0.368011 | 0.806603 | -0.527073 | 4068.03 | 542.339 | 645.894 | 534.582 | 217.259 | 162.914 | 139.277 | 30.774 | 54.6482 | 0 | 1791.49
82 | Aspirin | 180.157 | 1 | 4 | 1.44311 | 63.6 | 237.157 | 17.566 | -1.72403 | 21 | 0 | 0 | 0 | 0 | 0 | 206.832 | 1 | 9.84493 | 6.10906 | 11.0769 | 5.02422 | 4.6875 | 6.10906 | 246 | 21 | 0.626375 | 0.227457 | -0.226084 | 0.310682 | -0.324362 | 0.211865 | 0.0876589 | -0.0239853 | -0.00679594 | -0.0142108 | 0.0175279 | -0.038768 | 0.0224028 | 0.909211 | -0.631379 | 0.418571 | -0.41393 | 0.454889 | -0.538171 | 0.391578 | 1873.21 | 513.742 | 582.815 | 369.372 | 78.7534 | 37.1074 | 0 | 45.3372 | 0 | 30.2716 | 792.906
82 | Ibutilide | 384.578 | 2 | 5 | 4.51893 | 69.64 | 586.755 | 43.863 | -4.93589 | 62 | 0 | 1 | 0 | 1 | 1 | 349.948 | 1 | 19.416 | 12.3527 | 24.0385 | 13.2231 | 13.7856 | 12.3527 | 2213 | 62 | 0.558706 | 0.133504 | -0.144943 | -0.0340727 | 0.0536496 | 0.0990717 | 0.293469 | -0.154582 | 0.0234935 | -0.0479021 | 0.0355323 | -0.0177189 | 0.0144426 | 1.19733 | -0.765288 | 0.450626 | -0.410536 | 0.118508 | 0.0355203 | 0.0922834 | 4096.88 | 508.055 | 445.146 | 277.398 | 234.627 | 43.0811 | 0 | 0 | 5.51088 | 14.0095 | 2457.29
82 | Methylprednisolone | 374.471 | 3 | 5 | 1.5068 | 94.83 | 525.896 | 39.747 | -2.90236 | 57 | 0 | 0 | 0 | 0 | 8 | 722.46 | 1.35294 | 19.7757 | 12.5812 | 20.28 | 6.5 | 3.89594 | 12.5812 | 1553 | 57 | 0.866589 | -0.151977 | 0.206287 | 0.00829336 | -0.0170615 | -0.264703 | 0.0333808 | -0.0136011 | 0.0122174 | -0.0153067 | 1.9981e-16 | 1.0104e-16 | 3.9488e-17 | 1.0366 | -0.486848 | -0.174918 | 0.251239 | -0.0500319 | 0.0169178 | -0.269754 | 3833.09 | 402.871 | 275.809 | 67.1079 | 66.1475 | 0 | 29.0987 | 11.1465 | 11.0361 | 14.2729 | 3312.06
82 | Mifobate | 358.649 | 0 | 7 | 1.85758 | 80.29 | 432.619 | 29.846 | -2.48606 | 38 | 0 | 0 | 0 | 0 | 1 | 306.947 | 1 | 16.096 | 9.83679 | 19.0476 | 8.02222 | 5.60554 | 9.83679 | 872 | 38 | 1.48304 | 0.598309 | 0.602024 | -1.46784 | 1.15742 | 0.0187518 | 0.192258 | -0.0707508 | -0.0235139 | 0.0325726 | -0.0734189 | 0.0360116 | 0.00549006 | 2.25539 | -1.93256 | 0.943534 | 0.881977 | -2.24931 | 1.68133 | 0.0833262 | 3178.22 | 667.246 | 802.031 | 1048.14 | 146.996 | 147.174 | 55.4205 | 0 | 138.293 | 25.5698 | 1536.02
83 | Albuterol | 239.311 | 4 | 4 | 1.44314 | 72.72 | 367.492 | 26.541 | -1.88122 | 38 | 0 | 0 | 0 | 0 | 1 | 227.195 | 1 | 13.052 | 7.83152 | 15.0588 | 6.25 | 6.47934 | 7.83152 | 560 | 38 | 0.752806 | 0.000906761 | 0.0469206 | 0.00625335 | -0.142572 | 0.189488 | 0.00393222 | -0.000928775 | 4.81493e-05 | -0.000379365 | -0.000706119 | -4.10169e-17 | -2.0334e-17 | 0.732955 | -0.404836 | 0.0403626 | 0.00665981 | 0.0401379 | -0.148663 | 0.166648 | 2482.46 | 251.68 | 290.413 | 55.2181 | 41.8311 | 0 | 5.35907 | 13.7016 | 0 | 24.7781 | 1402.04
83 | Milrinone | 211.219 | 1 | 4 | 0.323254 | 65.78 | 273.409 | 23.536 | -1.84574 | 25 | 0 | 0 | 0 | 0 | 0 | 396.222 | 1 | 11.5436 | 7.71955 | 12.4567 | 5.55766 | 4.42361 | 7.71955 | 425 | 25 | 0.366709 | 0.041057 | -0.12823 | 0.100492 | -0.0755969 | 0.161652 | 0.464906 | -0.121928 | 0.0508665 | -0.219944 | 0.164642 | -0.121696 | 0.0293802 | 1.14515 | -0.454636 | 0.331813 | -0.801104 | 0.636224 | -0.380552 | 0.394453 | 2092.99 | 589.565 | 781.466 | 511.752 | 49.85 | 12.5666 | 0 | 15.438 | 0 | 10.1887 | 1346.63
83 | Nateglinide | 317.423 | 2 | 4 | 4.47873 | 66.4 | 479.292 | 35.801 | -4.59041 | 50 | 0 | 0 | 0 | 0 | 1 | 387.86 | 1 | 16.8196 | 10.9692 | 19.3264 | 9.47461 | 8.59375 | 10.9692 | 1320 | 50 | 0.629576 | 0.107705 | 0.158314 | -0.373852 | 0.217186 | 0.00795421 | 0.102913 | -0.0229503 | -0.0175437 | 0.00029226 | -0.0338832 | 0.022759 | 6.25179e-05 | 0.938802 | -0.556522 | 0.207321 | 0.115775 | -0.601224 | 0.401506 | -0.00758485 | 3390.75 | 467.534 | 304.337 | 524.189 | 61.223 | 29.6633 | 34.3506 | 0 | 25.3031 | 0 | 2109.62
84 | Bromazepam | 316.153 | 1 | 4 | 1.79361 | 54.35 | 315.118 | 30.871 | -3.31032 | 29 | 0 | 0 | 0 | 0 | 0 | 379.407 | 1.11765 | 13.2423 | 9.23718 | 13.9592 | 6.18549 | 4.5 | 9.23718 | 643 | 29 | 0.426463 | -0.0452287 | 0.142618 | -0.133438 | 0.0559636 | -0.0234054 | 0.151889 | -0.0272772 | -0.0587971 | 0.0279033 | -0.00739505 | -0.0345756 | 0.0391295 | 0.812572 | -0.353344 | -0.181362 | 0.325402 | -0.159177 | -0.0919711 | 0.0515204 | 2310.67 | 667.369 | 925.314 | 849.9 | 61.1226 | 16.3509 | 11.1931 | 0 | 37.3435 | 13.8823 | 2101.83
85 | Acebutolol | 336.426 | 3 | 6 | 1.67774 | 87.66 | 512.037 | 37.272 | -2.58869 | 52 | 0 | 0 | 0 | 0 | 1 | 389.46 | 1 | 18.1125 | 11.3286 | 22.0417 | 11.5838 | 10.5765 | 11.3286 | 1568 | 52 | 0.82497 | 0.00898034 | -0.0244879 | -0.00943491 | 0.234279 | -0.440294 | 0.0961783 | -0.00895849 | -0.0382244 | -0.0134113 | 0.0115586 | 0.0100137 | -0.0214206 | 1.03784 | -0.495587 | 0.0361545 | -0.0888053 | 0.0659741 | 0.21673 | -0.635228 | 3622.28 | 486.177 | 500.265 | 332.845 | 83.3611 | 15.6115 | 19.7128 | 24.4401 | 41.9469 | 0 | 1969.65
85 | Acetaminophen | 151.163 | 2 | 3 | 0.4414 | 49.33 | 209.645 | 16.848 | -1.05845 | 20 | 0 | 0 | 0 | 0 | 0 | 139.027 | 1 | 8.26758 | 5.18154 | 9.09091 | 4.13265 | 5.28926 | 5.18154 | 166 | 20 | 0.439699 | 0.189216 | -0.148189 | -0.0457807 | 0.194177 | -0.246265 | 0.0831589 | -0.000880686 | -0.0437606 | -0.0173348 | 0.00865781 | 0.0149441 | 0.00391641 | 0.56798 | -0.323088 | 0.19222 | -0.199012 | 0.00243696 | 0.150973 | -0.277841 | 1541.41 | 349.642 | 378.443 | 153.581 | 52.0284 | 15.5986 | 0 | 0 | 20.8005 | 0 | 778.91
85 | Chlorguanide | 253.731 | 5 | 5 | 3.6288 | 83.79 | 351.618 | 28.38 | -4.49767 | 33 | 0 | 0 | 0 | 0 | 0 | 250.737 | 1 | 12.8365 | 7.96923 | 15.0588 | 7.43802 | 8.68698 | 7.96923 | 608 | 33 | 0.582396 | 0.647798 | -0.771835 | 0.62672 | -0.43375 | 0.149661 | 0.358375 | -0.0131974 | -0.137502 | -0.0893164 | 0.055439 | -0.0190858 | 0.0236419 | 1.20549 | -0.864458 | 0.766073 | -1.14905 | 1.16084 | -0.702955 | 0.243193 | 2366.35 | 454.33 | 551.382 | 324.22 | 96.0304 | 53.5451 | 0 | 23.1224 | 26.3617 | 0 | 1435.96
85 | Dolasetron | 324.374 | 1 | 5 | 2.21693 | 62.4 | 382.817 | 35.726 | -3.6181 | 44 | 0 | 0 | 0 | 0 | 2 | 528.832 | 1.45 | 16.2588 | 11.6867 | 16.1939 | 6.31066 | 6.0464 | 11.6867 | 1368 | 44 | 0.679716 | -0.0363411 | -0.100501 | 0.303229 | -0.184186 | -0.023543 | 0.154292 | -0.01733 | -0.028584 | 0.0121137 | -0.0533418 | 0.00748042 | 0.00536135 | 0.849202 | -0.465324 | 0.154183 | -0.110095 | 0.149086 | -0.19589 | 0.076282 | 3198.83 | 522.103 | 549.258 | 202.807 | 63.5577 | 14.6101 | 7.54745 | 33.0489 | 0 | 5.39918 | 2477.91
85 | Isoproterenol | 197.231 | 4 | 4 | 1.57034 | 72.72 | 283.4 | 21.036 | -1.9215 | 29 | 0 | 0 | 0 | 0 | 1 | 174.75 | 1 | 10.7152 | 6.50291 | 12.0714 | 5.1856 | 4.88889 | 6.50291 | 316 | 29 | 0.761392 | 0.0918556 | 0.138381 | -0.310658 | 0.185596 | 0.0733045 | 0.00396407 | 0.000785868 | -0.000980395 | -0.000800567 | -0.000986939 | -1.33877e-16 | -1.3295e-16 | 0.712597 | -0.453062 | 0.109436 | 0.132457 | -0.291 | 0.157378 | 0.0617141 | 2013.13 | 281.117 | 359.269 | 63.2091 | 49.9531 | 6.11416 | 17.4683 | 0 | 21.8139 | 21.8174 | 1016.65
85 | Lansoprazole | 369.363 | 1 | 5 | 1.49337 | 65.52 | 392.052 | 35.286 | -4.14094 | 39 | 0 | 0 | 0 | 0 | 0 | 480.277 | 1.13333 | 18.0267 | 11.8323 | 19.7531 | 8.34714 | 8.96296 | 11.8323 | 1631 | 39 | 0.790531 | -0.130516 | 0.174413 | -0.153266 | 0.209241 | -0.120228 | 2.3402 | 1.00651 | 0.102153 | -0.196498 | -0.0807163 | 0.00757649 | -0.00759756 | 3.09869 | 0.657844 | -0.206763 | -0.302386 | -0.20119 | 0.0852767 | -0.0369596 | 3332.83 | 1883.1 | 1691.67 | 1624.72 | 1159.07 | 111.794 | 134.677 | 35.6569 | 124.314 | 76.175 | 2252.58
85 | Molecule-618 | 324.417 | 1 | 4 | 2.58439 | 45.59 | 432.536 | 38.065 | -3.39975 | 48 | 0 | 0 | 0 | 0 | 4 | 456.92 | 1.33333 | 16.6814 | 11.707 | 17.4156 | 7.31887 | 5.7619 | 11.707 | 1286 | 48 | 0.583722 | -0.124667 | 0.125635 | -0.188372 | 0.0498904 | 0.131513 | 0.0229646 | -0.00912089 | 0.00115219 | 0.0013737 | -0.00367559 | -0.00332224 | 0.00211383 | 0.651446 | -0.261379 | -0.101529 | 0.141733 | -0.268463 | 0.132215 | 0.117228 | 3153.12 | 471.834 | 576.918 | 247.611 | 35.3373 | 0 | 5.67669 | 0 | 12.8653 | 17.1905 | 2686.13
85 | Oxyfedrine | 313.391 | 2 | 4 | 2.79535 | 58.56 | 452.388 | 35.65 | -3.36007 | 46 | 0 | 0 | 0 | 0 | 2 | 349.127 | 1 | 16.6565 | 11.1134 | 19.3264 | 10.0957 | 8.59375 | 11.1134 | 1416 | 46 | 0.645621 | -0.120913 | 0.108863 | -0.0944505 | 0.102932 | -0.17227 | 0.0134778 | -0.00527327 | -0.000901398 | 0.00269939 | -0.00104614 | -0.00221749 | -0.000256869 | 0.703776 | -0.301376 | -0.105701 | 0.119504 | -0.10777 | 0.128312 | -0.206229 | 3140.63 | 552.414 | 584.333 | 164.022 | 49.0377 | 0 | 5.31999 | 6.59153 | 17.6947 | 0 | 1943.84
85 | Piretanide | 362.401 | 3 | 7 | 2.32182 | 109.93 | 421.445 | 37.682 | -4.49174 | 43 | 0 | 0 | 0 | 0 | 0 | 465.955 | 1 | 18.0267 | 11.8592 | 19.7531 | 8.34714 | 8.04432 | 11.8592 | 1361 | 43 | 0.887439 | 0.220711 | -0.0506702 | -0.140086 | -0.158033 | 0.697965 | 0.367247 | -0.23251 | 0.0523165 | 0.0304933 | 0.0563084 | -0.167388 | 0.0812291 | 1.6809 | -1.2507 | 0.737696 | -0.291589 | 0.0278291 | -0.775249 | 1.39671 | 3531.88 | 901.952 | 1163.81 | 1275.52 | 298.941 | 50.5901 | 90.6737 | 104.168 | 179.934 | 124.155 | 2582.46
85 | Sulfamethizole | 270.333 | 3 | 6 | 0.910204 | 97.97 | 297.647 | 26.961 | -3.19883 | 27 | 0 | 0 | 0 | 0 | 0 | 261.38 | 1 | 12.4663 | 7.97116 | 13.4321 | 5.32544 | 6.47934 | 7.97116 | 535 | 27 | 0.465806 | 0.270479 | -0.172262 | -0.00740516 | -0.0916059 | 0.340045 | 0.471233 | -0.171043 | 0.0134319 | -0.220276 | 0.134669 | 0.029752 | -0.00722589 | 1.4512 | -0.900206 | 0.624839 | -0.80155 | 0.384954 | -0.251384 | 0.613421 | 2423.38 | 715.795 | 903.873 | 617.272 | 296.848 | 105.422 | 119.028 | 85.576 | 65.868 | 42.1768 | 1614.11
85 | Triazolam | 344.217 | 1 | 4 | 5.56443 | 45.14 | 371.142 | 37.935 | -6.77737 | 36 | 1 | 1 | 1 | 1 | 0 | 471.51 | 1.2 | 15.9743 | 11.1479 | 16.4675 | 6.71884 | 4.75933 | 11.1479 | 1035 | 36 | 0.415923 | 0.00631464 | 0.0140538 | -0.0773568 | 0.116562 | -0.14643 | 0.510082 | 0.223443 | 0.0105502 | -0.0973534 | 0.0595205 | -0.00386291 | 0.0322499 | 0.814674 | -0.0483375 | -0.1097 | -0.00647056 | 0.201591 | 0.15129 | -0.261043 | 2770.96 | 912.973 | 1368.42 | 1197.28 | 77.33 | 0 | 3.8999 | 7.7964 | 5.59389 | 0 | 2863.67
85 | Zalcitabine | 211.218 | 3 | 6 | -1.39406 | 88.15 | 266.108 | 20.797 | -0.379712 | 28 | 0 | 0 | 0 | 0 | 2 | 310.707 | 1 | 10.8365 | 7.20271 | 11.4844 | 4.88843 | 5.04 | 7.20271 | 369 | 28 | 0.757285 | 0.29331 | -0.255713 | 0.254075 | -0.131603 | -0.0294083 | 0.383987 | -0.0578032 | -0.0352549 | -0.121178 | 0.0222429 | 7.72999e-16 | 2.30749e-17 | 1.37653 | -0.881574 | 0.740353 | -0.837094 | 0.663499 | -0.349263 | -0.20681 | 2181.84 | 320.918 | 387.946 | 46.3464 | 84.0914 | 47.7353 | 11.8449 | 41.7072 | 20.746 | 14.4793 | 1033.74
86 | Lamivudine | 229.257 | 3 | 6 | -1.45121 | 88.15 | 270.616 | 21.962 | -0.52023 | 26 | 0 | 0 | 0 | 0 | 2 | 320.499 | 1 | 10.8365 | 7.20271 | 11.4844 | 4.88843 | 5.04 | 7.20271 | 369 | 26 | 0.780262 | 0.265059 | -0.193415 | 0.216597 | -0.129748 | -0.0328745 | 0.383811 | -0.0578205 | -0.0351245 | -0.121164 | 0.0222037 | 1.01192e-15 | -6.19732e-16 | 1.39969 | -0.897182 | 0.728114 | -0.774705 | 0.565225 | -0.320083 | -0.180836 | 2119.3 | 351.038 | 408.866 | 139.643 | 114.197 | 68.6039 | 64.296 | 42.0129 | 35.9353 | 14.8929 | 1160.82
87 | Benzydamine | 309.406 | 0 | 4 | 4.08464 | 30.29 | 429.434 | 36.564 | -4.54608 | 46 | 0 | 0 | 0 | 0 | 0 | 343.506 | 1.13333 | 16.0707 | 11.2372 | 17.8112 | 8.90909 | 9.15713 | 11.2372 | 1307 | 46 | 0.44901 | -0.193106 | 0.0910118 | 0.0863371 | -0.125062 | -0.0198924 | 0.0906943 | -0.0479861 | -0.00804297 | 0.0137789 | -0.00296049 | 2.41131e-05 | -0.000133229 | 0.475582 | -0.173334 | -0.055925 | -0.0537088 | 0.125211 | -0.116302 | 0.0490974 | 3082.64 | 510.663 | 659.752 | 491.597 | 35.2941 | 8.83182 | 13.168 | 7.30388 | 0 | 3.18857 | 2070.61
87 | Bupropion | 239.741 | 1 | 2 | 3.6113 | 29.1 | 366.71 | 26.644 | -3.46807 | 34 | 0 | 0 | 0 | 0 | 1 | 241.801 | 1 | 12.3449 | 7.29351 | 14.0625 | 5.55766 | 6.37 | 7.29351 | 454 | 34 | 0.278634 | -0.0104048 | 0.0119981 | -0.0279212 | 0.037942 | 0.0157222 | 0.0118891 | -0.00598613 | 0.00252471 | -0.00195957 | 0.00145944 | -0.00198303 | -9.9507e-17 | 0.353664 | -0.161459 | -0.0360033 | 0.0675686 | -0.07677 | 0.0750827 | -0.0202491 | 2291.1 | 347.975 | 387.188 | 124.318 | 48.5741 | 0 | 6.83906 | 0 | 22.1392 | 8.90082 | 1428.83
87 | Cimetidine | 252.34 | 3 | 6 | 0.772546 | 88.89 | 356.012 | 27.474 | -2.27196 | 33 | 0 | 0 | 0 | 0 | 0 | 286.011 | 1 | 12.5102 | 8.27439 | 15.0588 | 9 | 9.67901 | 8.27439 | 664 | 33 | 0.586691 | 0.229774 | -0.206889 | 0.0953566 | 0.00466869 | 0.000736093 | 0.64792 | -0.192006 | 0.0636806 | -0.055503 | -0.140131 | -0.00987965 | -0.0458574 | 1.40691 | -0.880205 | 0.622247 | -0.503861 | 0.259628 | -0.0823965 | -0.129652 | 2512.12 | 363.879 | 278.658 | 56.881 | 84.2045 | 47.5136 | 29.1043 | 23.7924 | 35.679 | 5.77486 | 1343.64
87 | Clindamycin | 424.984 | 4 | 7 | 1.17852 | 102.26 | 593.088 | 42.646 | -2.48753 | 60 | 0 | 0 | 0 | 0 | 9 | 496.634 | 1 | 20.3006 | 12.7048 | 23.2806 | 10.1563 | 7.39556 | 12.7048 | 1843 | 60 | 1.16157 | -0.368238 | 0.693301 | -0.335657 | -0.165678 | 0.194116 | 0.0652049 | -0.0112635 | -0.021339 | -9.72478e-17 | -9.95032e-16 | 9.81191e-16 | -3.37618e-16 | 1.32829 | -0.619289 | -0.350029 | 0.672754 | -0.40353 | -0.121074 | 0.173588 | 4057.44 | 221.265 | 62.5209 | 156.955 | 127.505 | 31.8682 | 110.857 | 71.8343 | 95.4253 | 80.4808 | 2685.26
88 | Acrivastine | 348.438 | 1 | 4 | 3.97457 | 53.43 | 477.682 | 42.118 | -4.72449 | 50 | 0 | 0 | 0 | 0 | 0 | 502.517 | 1 | 18.3552 | 12.6142 | 20.727 | 10.5186 | 11.4602 | 12.6142 | 1755 | 50 | 0.571909 | 0.136919 | -0.0889984 | -0.174267 | 0.327231 | -0.128769 | 0.0597887 | -0.0184735 | -0.0049488 | -0.00503989 | -0.0136982 | 0.0228555 | -0.010286 | 0.794012 | -0.453931 | 0.233088 | -0.160239 | -0.2815 | 0.521548 | -0.237917 | 3441.29 | 703.222 | 947.201 | 860.054 | 39.3453 | 16.3723 | 0 | 0 | 16.8699 | 0 | 2732.91
88 | Disulfiram | 296.543 | 0 | 2 | 2.23087 | 6.48 | 436.142 | 34.57 | -3.17151 | 36 | 0 | 0 | 0 | 0 | 0 | 192.11 | 0 | 12.552 | 7.59928 | 16 | 9.07407 | 5.77778 | 7.59928 | 502 | 36 | 0.245918 | 0.0155427 | 0.0186318 | -0.0686838 | 0.0912819 | 0.00146157 | 0.360844 | -0.0679492 | -0.102786 | 0.0239875 | -0.0776354 | 0.0439618 | 2.42734e-15 | 0.623889 | -0.400653 | 0.118575 | 0.154612 | -0.324397 | 0.193592 | 0.0241127 | 2376.1 | 281.133 | 263.834 | 88.1598 | 140.574 | 124.256 | 96.453 | 0 | 57.9685 | 0 | 2068.76
88 | Metoclopramide | 299.796 | 3 | 5 | 1.85205 | 67.59 | 427.548 | 32.07 | -2.90273 | 42 | 0 | 0 | 0 | 0 | 0 | 300.144 | 1 | 15.121 | 9.52761 | 18.05 | 9.10651 | 6.54935 | 9.52761 | 902 | 42 | 0.677612 | -0.0127323 | -0.0637915 | 0.0834261 | -0.0582734 | 0.0989965 | 0.100631 | -0.0280887 | -0.00619771 | -0.016179 | 0.0140346 | -0.000882503 | -0.0130019 | 0.802121 | -0.438965 | 0.19761 | -0.287503 | 0.166603 | -0.034648 | 0.0985448 | 2952.23 | 390.351 | 519.169 | 221.161 | 87.701 | 11.1213 | 26.4561 | 45.3983 | 64.3273 | 24.9933 | 1665.05
88 | Misoprostol | 382.534 | 2 | 5 | 3.44862 | 83.83 | 622.053 | 42.261 | -3.41845 | 65 | 0 | 1 | 0 | 1 | 4 | 481.323 | 1 | 20.2862 | 12.8029 | 25.037 | 13.2653 | 12.955 | 12.8029 | 2331 | 65 | 0.830341 | 0.044872 | -0.114618 | 0.151517 | -0.0673529 | -0.0818758 | 0.0472574 | -0.0163252 | -0.0073035 | -0.00015505 | 0.000310101 | -0.00015505 | 5.77402e-17 | 1.03955 | -0.548682 | 0.100373 | -0.145615 | 0.165465 | -0.0767198 | -0.0745697 | 4236.3 | 369.479 | 57.54 | 52.2926 | 75.9589 | 17.4527 | 0 | 14.0749 | 0 | 0 | 2326.37
88 | Moricizine | 427.518 | 1 | 7 | 2.38806 | 71.11 | 530.444 | 46.979 | -4.46716 | 55 | 0 | 0 | 0 | 0 | 0 | 594.946 | 1.2 | 20.9241 | 14.6522 | 23.168 | 11.2277 | 9.1875 | 14.6522 | 2500 | 55 | 0.873763 | 0.179493 | -0.227813 | 0.258726 | -0.11287 | 0.00885303 | 0.233065 | -0.00183642 | -0.13411 | -0.0427034 | 0.0867356 | 0.0282503 | -0.0443172 | 1.281 | -0.664011 | 0.192316 | -0.484334 | 0.460933 | -0.0289318 | 0.0286788 | 4079.29 | 722.501 | 1019.51 | 939.543 | 150.483 | 72.058 | 39.6487 | 47.0321 | 46.5904 | 62.746 | 3300.06
88 | Moxonidine | 241.677 | 2 | 6 | 0.8959 | 71.43 | 293.027 | 23.87 | -2.18277 | 28 | 0 | 0 | 0 | 0 | 0 | 259.522 | 1 | 11.5436 | 7.70271 | 12.4567 | 5.55766 | 5.77778 | 7.70271 | 432 | 28 | 0.636324 | 0.251851 | -0.101244 | -0.329495 | 0.625556 | -0.2472 | 0.237198 | -0.0467337 | -0.0374288 | -0.0273311 | -0.0602449 | 0.0698357 | -0.0166964 | 1.11171 | -0.746796 | 0.520916 | -0.3067 | -0.682302 | 1.15448 | -0.361466 | 2222.88 | 465.722 | 594.3 | 320.011 | 98.8403 | 45.8168 | 68.3798 | 44.0115 | 60.7452 | 0 | 1172.52
88 | Nitrendipine | 360.361 | 1 | 8 | 2.38126 | 110.45 | 482.58 | 36.196 | -3.98102 | 46 | 0 | 0 | 0 | 0 | 1 | 612.273 | 1 | 19.4304 | 12.311 | 22.2908 | 9.9723 | 6.54222 | 12.311 | 1491 | 46 | 0.785382 | 0.0943385 | -0.237347 | 0.535348 | -0.422667 | 0.204719 | 0.687879 | -0.319996 | 0.104914 | -0.0714473 | -0.00572675 | -0.23094 | 0.411785 | 1.8896 | -1.26223 | 0.727182 | -0.412752 | 0.581775 | -1.02947 | 1.26096 | 3879.23 | 928.35 | 937.263 | 1305.8 | 119.683 | 40.4347 | 0 | 86.7804 | 0 | 57.782 | 2262.97
88 | Trovafloxacin | 416.353 | 3 | 7 | 3.78413 | 99.76 | 420.918 | 39.315 | -5.80493 | 45 | 0 | 0 | 0 | 0 | 2 | 751.555 | 1.18182 | 21.3171 | 14.2569 | 21.8253 | 9.0944 | 7.53578 | 14.2569 | 2266 | 45 | 1.04079 | 0.138262 | -0.322889 | 0.346287 | -0.150284 | -0.116097 | 0.311769 | -0.0287052 | 0.00380521 | -0.144221 | 0.0513179 | -0.0465645 | 0.0321761 | 1.52638 | -0.82626 | 0.618216 | -0.880213 | 0.548785 | -0.375109 | 0.0692258 | 3873.27 | 885.534 | 1379.21 | 1391.51 | 176.975 | 30.7591 | 60.8445 | 151.442 | 87.7849 | 24.2912 | 2732.35
89 | Dihydrocodeine | 301.38 | 1 | 4 | 1.32406 | 41.93 | 376.807 | 32.62 | -2.26226 | 45 | 0 | 0 | 0 | 0 | 5 | 471.249 | 1.61111 | 15.0601 | 10.6639 | 14.3521 | 4.7619 | 2.92195 | 10.6639 | 824 | 45 | 0.658567 | -0.273853 | 0.347897 | -0.166638 | -0.139335 | 0.257876 | 0.00394535 | 0.000571986 | -0.00121364 | -0.000582942 | -0.000748082 | 2.03049e-17 | -4.12899e-17 | 0.611486 | -0.224951 | -0.247384 | 0.317577 | -0.139829 | -0.141076 | 0.250755 | 2941.07 | 282.618 | 326.735 | 66.0596 | 51.6222 | 0 | 33.502 | 0 | 7.35185 | 19.7009 | 2612
89 | Sultopride | 354.465 | 1 | 6 | 2.00222 | 75.71 | 483.875 | 37.67 | -3.48276 | 50 | 0 | 0 | 0 | 0 | 1 | 415.836 | 1 | 17.7423 | 11.4234 | 20.3136 | 9.08735 | 7.4244 | 11.4234 | 1404 | 50 | 0.656156 | -0.0213999 | 0.0338735 | -0.00548184 | -0.29589 | 0.333133 | 0.375099 | -0.228128 | 0.0704399 | -0.0559527 | 0.0904406 | -0.1059 | 0.04155 | 1.46631 | -0.824096 | 0.215898 | -0.0623388 | 0.223253 | -0.961293 | 0.892662 | 3665.72 | 640.536 | 719.99 | 517.645 | 243.677 | 23.178 | 6.7519 | 30.1212 | 153.945 | 76.2797 | 2322.19
89 | Tenidap | 320.752 | 3 | 5 | 2.25369 | 83.63 | 334.533 | 32.469 | -4.10299 | 30 | 0 | 0 | 0 | 0 | 0 | 481.592 | 1.14286 | 15.1459 | 10.0029 | 15.879 | 6.24567 | 5.2898 | 10.0029 | 831 | 30 | 0.727584 | 0.374754 | -0.409208 | 0.373177 | -0.291837 | 0.205665 | 0.252276 | -0.00428941 | -0.127568 | -0.0601558 | 0.0822834 | 0.00140105 | 0.00428917 | 1.1751 | -0.642913 | 0.392367 | -0.819533 | 0.865716 | -0.531626 | 0.281964 | 2641.4 | 695.665 | 1052.93 | 975.471 | 151.756 | 69.5744 | 24.5439 | 58.5916 | 88.1268 | 65.927 | 2209.82
90 | Almitrine | 477.552 | 2 | 7 | 5.08385 | 69.21 | 609.608 | 52.254 | -6.73643 | 64 | 1 | 1 | 1 | 1 | 0 | 590.435 | 1 | 24.6227 | 17.0672 | 28.0194 | 14.2353 | 11.9396 | 17.0672 | 4012 | 64 | 0.817781 | 0.478707 | -0.427173 | 0.337067 | -0.196157 | -0.201757 | 0.227015 | -0.147494 | 0.0902776 | -0.0219604 | -0.0312527 | -0.00649794 | 0.00120028 | 1.31426 | -1.23908 | 1.35177 | -0.953979 | 0.316311 | -0.0296594 | -0.430346 | 4611.13 | 907.776 | 1048.28 | 705.606 | 103.69 | 41.1871 | 7.00103 | 63.7603 | 5.1752 | 17.1844 | 3269.86
90 | Amantadine | 151.249 | 2 | 1 | 2.23565 | 26.02 | 224.671 | 18.153 | -2.42099 | 28 | 0 | 0 | 0 | 0 | 0 | 144.028 | 1.8 | 7.47469 | 5.23489 | 6.50888 | 1.83673 | 2.84444 | 5.23489 | 124 | 28 | 0.154123 | 0.0480877 | -0.0696416 | 0.0455289 | -0.0600084 | 0.0447558 | 1.26516e-28 | -1.0676e-28 | 1.25487e-28 | -3.09527e-29 | -3.05262e-29 | -7.28002e-30 | -4.14556e-31 | 0.154123 | -0.0857837 | 0.0480877 | -0.0696416 | 0.0455289 | -0.0600084 | 0.0447558 | 1591.04 | 2.23937 | 0 | 0 | 2.23937 | 0 | 0 | 0 | 0 | 0 | 1198.16
90 | Amphetamine | 135.206 | 2 | 1 | 1.78275 | 26.02 | 224.306 | 17.29 | -1.89119 | 23 | 0 | 0 | 0 | 0 | 1 | 84.7291 | 1 | 7.39734 | 4.78769 | 8.1 | 4 | 5.53086 | 4.78769 | 126 | 23 | 0.175875 | 0.00727366 | -0.0483063 | 0.0563617 | -0.0239021 | -0.0149503 | 5.00169e-06 | -4.06969e-06 | 2.61312e-06 | -1.04427e-06 | -2.64742e-18 | 1.50382e-19 | -2.65651e-19 | 0.175922 | -0.0812208 | 0.00754379 | -0.0490447 | 0.0575828 | -0.0247224 | -0.0146803 | 1396.95 | 190.348 | 188.16 | 16.5722 | 2.18739 | 0 | 0 | 0 | 0 | 0 | 809.431
90 | [NAME] | 290.402 | 0 | 2 | 2.8261 | 16.13 | 386.21 | 36.599 | -4.04591 | 44 | 0 | 0 | 0 | 0 | 0 | 407.175 | 1.19048 | 14.9409 | 10.8265 | 15.5232 | 6.85714 | 4.75 | 10.8265 | 928 | 44 | 0.226847 | -0.107278 | 0.00611696 | 0.0468281 | -0.0415753 | 0.00474826 | 0.0213752 | -0.0110695 | 0.0067127 | -0.00865226 | 0.00229295 | 0.000102232 | -8.65337e-05 | 0.310051 | -0.0755271 | -0.0847223 | -0.0109561 | 0.044221 | -0.0553731 | 0.0288194 | 2784.15 | 483.419 | 645.973 | 463.114 | 5.57284 | 0 | 0 | 0 | 0 | 2.78552 | 2783.07
90 | Betaxolol | 307.428 | 2 | 4 | 2.3546 | 50.72 | 470.686 | 34.942 | -2.48236 | 51 | 0 | 1 | 0 | 1 | 1 | 286.057 | 1 | 15.7862 | 10.631 | 18.3403 | 12.426 | 13.1944 | 10.631 | 1427 | 51 | 0.704532 | -0.205306 | 0.208838 | -0.143467 | 0.0665967 | -0.088035 | 0.00348029 | -0.000626993 | -0.000269478 | -0.000276673 | -0.000567 | 2.41593e-16 | -2.26881e-16 | 0.688188 | -0.262568 | -0.179424 | 0.199007 | -0.165078 | 0.101924 | -0.0943477 | 3207.53 | 253.861 | 256.051 | 81.7185 | 44.1335 | 0 | 19.6326 | 6.93342 | 0 | 0 | 1703.07
90 | Bisoprolol | 325.443 | 2 | 5 | 2.19794 | 59.95 | 519.868 | 36.353 | -2.2927 | 54 | 0 | 1 | 0 | 1 | 1 | 278.195 | 1 | 17.0791 | 10.9692 | 21.0435 | 12.375 | 14.08 | 10.9692 | 1650 | 54 | 0.822569 | -0.22576 | 0.224358 | -0.144054 | -0.017248 | 0.122322 | 0.00362337 | -0.000714133 | -5.47082e-05 | -0.00035105 | -0.000691793 | 1.74782e-16 | -3.31089e-16 | 0.805783 | -0.310076 | -0.193642 | 0.201518 | -0.142565 | 0.00142321 | 0.0976332 | 3457.24 | 265.812 | 274.886 | 83.5507 | 56.0717 | 0 | 31.4826 | 6.93474 | 0 | 15.0098 | 1702.2
90 | Chlorzoxazone | 169.565 | 1 | 3 | 1.64816 | 38.33 | 174.581 | 16.348 | -2.30636 | 15 | 0 | 0 | 0 | 0 | 0 | 180.656 | 1.22222 | 7.84493 | 5.25402 | 7.63889 | 2.80277 | 3.78698 | 5.25402 | 143 | 15 | 0.40429 | 0.304654 | -0.137313 | 0.0310999 | -0.0473736 | 0.0229383 | 0.138417 | -0.00321463 | -0.0698337 | -0.0146524 | 0.00788853 | 0.0147448 | -0.00414087 | 0.636749 | -0.448085 | 0.327376 | -0.226888 | 0.0745302 | -0.0782103 | 0.0329029 | 1419.31 | 395.967 | 590.877 | 162.619 | 96.8311 | 59.6636 | 0 | 28.2102 | 30.9814 | 14.2482 | 839.398
90 | Dapsone | 248.302 | 4 | 4 | 0.442193 | 86.18 | 293.502 | 27.322 | -2.80152 | 29 | 0 | 0 | 0 | 0 | 0 | 222.89 | 1 | 12.4663 | 7.99804 | 13.4321 | 5.32544 | 4.63905 | 7.99804 | 516 | 29 | 0.465406 | 0.0500814 | 0.0342872 | -0.0677818 | -0.131686 | 0.315486 | 0.36226 | -0.263443 | 0.102274 | -0.0852734 | 0.113006 | 0.0346275 | -0.0791116 | 1.12759 | -0.770531 | 0.185037 | -0.00543981 | 0.25949 | -0.550199 | 0.755719 | 2314.92 | 687.353 | 988.46 | 574.695 | 234.923 | 10.5072 | 0 | 0 | 99.3457 | 47.0221 | 1744.97
90 | Dexamethasone | 392.461 | 3 | 5 | 1.14327 | 94.83 | 529.085 | 39.656 | -2.68214 | 57 | 0 | 0 | 0 | 0 | 8 | 773.065 | 1.35294 | 20.6983 | 12.9632 | 21.2404 | 6.49769 | 3.44898 | 12.9632 | 1670 | 57 | 0.945572 | -0.270473 | 0.417432 | -0.0078056 | -0.191702 | -0.177218 | 0.0335738 | -0.0136995 | 0.0123743 | -0.0154618 | -1.54452e-16 | 1.46201e-16 | -3.60336e-16 | 1.11605 | -0.512443 | -0.271123 | 0.424506 | -0.0310043 | -0.203145 | -0.171749 | 3955.16 | 420.98 | 275.807 | 93.0634 | 84.2456 | 0 | 43.0855 | 11.1536 | 11.1192 | 44.5734 | 3293.5
90 | Diethylstilbestrol | 268.35 | 2 | 2 | 5.45113 | 40.46 | 384.409 | 33.274 | -5.25492 | 40 | 1 | 1 | 1 | 1 | 0 | 276.625 | 1 | 14.5352 | 9.6514 | 16.3719 | 7.85204 | 6.12 | 9.6514 | 814 | 40 | 0.494242 | 0.0816768 | -0.0160301 | -0.0941172 | 0.04698 | -0.00542662 | 0.00711952 | -0.000775675 | -0.000724535 | 4.37515e-05 | -0.00106568 | 0.000865152 | -0.00163576 | 0.456701 | -0.280124 | 0.128765 | -0.0392063 | -0.0770132 | 0.0371947 | -0.0144094 | 2619.79 | 517.238 | 696.83 | 381.686 | 34.945 | 0 | 0 | 0 | 0 | 0 | 2167.66
90 | Diflunisal | 250.198 | 2 | 3 | 4.47073 | 57.53 | 271.599 | 24.195 | -4.73405 | 26 | 0 | 0 | 0 | 0 | 0 | 310.611 | 1 | 13.2841 | 8.48607 | 14.41 | 5.96982 | 4.89796 | 8.48607 | 597 | 26 | 0.70706 | 0.156551 | -0.214381 | 0.331037 | -0.220127 | -0.0708556 | 0.0528863 | -0.0201271 | 0.0041613 | -0.00616906 | -0.00560613 | 0.00464484 | -0.0066224 | 0.83341 | -0.569661 | 0.338796 | -0.388687 | 0.419145 | -0.199108 | -0.180617 | 2293.1 | 645.681 | 909.176 | 622.892 | 98.6676 | 15.9565 | 0 | 57.9291 | 0 | 0 | 1450.49
90 | Diloxanide | 234.079 | 1 | 3 | 1.65055 | 40.54 | 284.398 | 22.539 | -2.16312 | 23 | 0 | 0 | 0 | 0 | 0 | 202.989 | 1 | 10.7152 | 6.51974 | 12.0714 | 5.1856 | 4.38781 | 6.51974 | 312 | 23 | 0.526803 | -0.0532018 | 0.0762051 | -0.103521 | 0.192973 | -0.152579 | 0.0813654 | -0.000454429 | -0.0434524 | -0.0169004 | 0.00857441 | 0.0148565 | 0.00371679 | 0.66186 | -0.289765 | -0.0827319 | 0.0820063 | -0.100121 | 0.151332 | -0.17328 | 1895.4 | 403.558 | 473.069 | 263.923 | 106.287 | 42.6628 | 85.1986 | 0 | 21.1999 | 0 | 1168.39
90 | Ethacrynic_acid | 305.11 | 1 | 5 | 2.28543 | 80.67 | 361.664 | 27.376 | -2.99565 | 29 | 0 | 0 | 0 | 0 | 0 | 371.131 | 1 | 14.577 | 8.87912 | 17.0526 | 7.69527 | 5.47919 | 8.87912 | 744 | 29 | 0.836509 | -0.208692 | 0.296814 | -0.081835 | -0.159986 | 0.0645276 | 0.0573457 | -0.0189921 | -0.00657998 | 0.00223661 | -0.00812183 | 0.0123206 | -0.00908904 | 1.07395 | -0.499877 | -0.176361 | 0.297034 | -0.114197 | -0.108349 | 0.0130499 | 2676.58 | 708.481 | 753.052 | 656.563 | 152.492 | 17.1368 | 109.978 | 47.0547 | 47.7987 | 88.7393 | 1470.62
90 | Felbamate | 238.24 | 4 | 6 | 0.277097 | 104.64 | 327.614 | 24.009 | -1.68171 | 31 | 0 | 0 | 0 | 0 | 0 | 237.101 | 1 | 12.6734 | 8.09222 | 15.0588 | 8.16327 | 8.68698 | 8.09222 | 564 | 31 | 0.878831 | 0.656778 | -0.352252 | 0.0516774 | -0.220636 | 0.498338 | 0.22298 | -0.0380265 | -0.0734618 | -0.000235555 | 0.00140685 | 0.0137172 | 0.00240791 | 1.39135 | -1.08742 | 0.879693 | -0.461259 | -0.0119741 | -0.294075 | 0.68 | 2538.49 | 510.789 | 400.971 | 528.986 | 95.5334 | 88.1351 | 0 | 23.6314 | 0 | 66.0783 | 1142.57
90 | Feprazone | 320.385 | 0 | 4 | 3.37942 | 40.62 | 432.79 | 38.022 | -4.61491 | 44 | 0 | 0 | 0 | 0 | 0 | 445.308 | 1 | 17.1041 | 11.5922 | 18.7811 | 8.58951 | 7.03878 | 11.5922 | 1257 | 44 | 0.410607 | -0.0203783 | -0.115239 | 0.0238228 | 0.0498762 | 0.177435 | 0.277361 | 0.0807941 | -0.116574 | -0.219234 | 0.0632942 | 0.0217408 | 0.0117658 | 0.854255 | -0.163352 | -0.0288585 | -0.667699 | 0.250914 | 0.194977 | 0.218384 | 3188.33 | 710.437 | 890.879 | 1074.62 | 117.329 | 40.2424 | 40.2424 | 7.98939 | 0 | 0 | 2500.58
90 | Flutamide | 276.212 | 1 | 5 | 2.61997 | 74.92 | 330.281 | 23.42 | -3.39176 | 30 | 0 | 0 | 0 | 0 | 0 | 352.075 | 1 | 14.7925 | 8.62492 | 17.0526 | 6.6352 | 5.87755 | 8.62492 | 706 | 30 | 0.55911 | 0.178408 | 0.00108165 | -0.330664 | 0.409843 | -0.252189 | 0.516642 | -0.303365 | 0.0494247 | -0.0432012 | 0.0587153 | 0.069043 | -0.0385633 | 1.4242 | -0.870219 | 0.281405 | 0.161489 | -0.546595 | 0.501847 | -0.16891 | 2911.63 | 678.696 | 734.915 | 596.085 | 137.746 | 105.164 | 0 | 0 | 185.426 | 36.4316 | 1233.85
90 | Fluvoxamine | 318.335 | 2 | 4 | 3.16985 | 56.84 | 427.617 | 30.235 | -3.5385 | 43 | 0 | 0 | 0 | 0 | 0 | 321.931 | 1 | 16.4244 | 10.4857 | 20.0455 | 10.7143 | 9.69388 | 10.4857 | 1216 | 43 | 0.696659 | -0.173038 | 0.166417 | 0.0802213 | -0.155499 | -0.117699 | 0.0160354 | -0.00986981 | 0.00253346 | -0.00144271 | -0.000149621 | 0.00157589 | -0.00066493 | 0.699964 | -0.292071 | -0.165129 | 0.146961 | 0.10781 | -0.20375 | -0.112078 | 3217.56 | 435.569 | 504.174 | 243.038 | 132.195 | 76.3726 | 8.55942 | 4.35047 | 0 | 9.91378 | 1482.35
90 | Hydroxyprogesterone_caproate | 426.588 | 0 | 4 | 4.38785 | 60.44 | 641.27 | 47.734 | -5.12432 | 69 | 0 | 0 | 0 | 0 | 6 | 806.163 | 1.35294 | 22.4409 | 14.6763 | 24.1349 | 8.98184 | 5.74219 | 14.6763 | 2548 | 69 | 0.561401 | 0.0184069 | 0.107893 | -0.21949 | 0.149464 | -0.0320748 | 0.0662113 | -0.0248467 | 0.00303538 | -0.00208168 | -0.0146955 | 0.0107701 | 0.000956874 | 0.863231 | -0.458452 | 0.0730486 | 0.093861 | -0.298274 | 0.258989 | -0.0595462 | 4554.64 | 532.792 | 251.499 | 209.861 | 71.387 | 18.1834 | 21.0588 | 0 | 16.0444 | 0 | 3684.93
90 | Isosorbide_dinitrate | 236.136 | 0 | 10 | 0.130039 | 128.56 | 269.061 | 16.486 | -1.4232 | 24 | 0 | 0 | 0 | 0 | 4 | 259.134 | 1.25 | 11.7067 | 7.57539 | 12.4567 | 5.10417 | 6.37 | 7.57539 | 449 | 24 | 0.676767 | -0.16836 | 0.391094 | -0.458681 | 0.356983 | -0.162558 | 1.00776 | -0.616478 | 0.112595 | -1.98084e-15 | -1.15283e-15 | 0.00406998 | 0.0708386 | 2.45735 | -1.738 | 0.570043 | 0.450397 | -1.23164 | 1.2098 | -0.510525 | 2810.33 | 733.412 | 226.456 | 213.495 | 150.051 | 111.823 | 98.1881 | 0 | 136.452 | 0 | 722.494
90 | Isotretinoin | 300.435 | 1 | 2 | 4.16133 | 37.3 | 496.142 | 36.463 | -4.09722 | 50 | 0 | 0 | 0 | 0 | 0 | 507.026 | 1 | 16.7507 | 10.2201 | 20.0455 | 9.33333 | 9.03686 | 10.2201 | 1278 | 50 | 0.415595 | 0.160052 | -0.123769 | 0.0688839 | -0.0873749 | 0.0686321 | 0.0667918 | -0.0273908 | 0.0160108 | -0.0181725 | 0.0146706 | -0.013281 | 0.0113341 | 0.583367 | -0.41878 | 0.340159 | -0.293911 | 0.181507 | -0.175421 | 0.145956 | 3199.83 | 469.194 | 423.125 | 281.046 | 30.7922 | 14.5849 | 0 | 0 | 0 | 0 | 2096.57
90 | Ketotifen | 309.426 | 0 | 2 | 2.14956 | 20.31 | 380.131 | 36.616 | -3.63067 | 41 | 0 | 0 | 0 | 0 | 0 | 465.301 | 1.2 | 15.1041 | 10.7372 | 15.5232 | 6.48148 | 4.75 | 10.7372 | 917 | 41 | 0.282983 | -0.140433 | -0.0196168 | 0.052115 | 0.0242727 | 0.0206903 | 0.0238772 | -0.00909306 | 0.00737243 | -0.0104485 | 0.00497315 | -0.00476451 | 1.33644e-05 | 0.370192 | -0.0840478 | -0.120042 | -0.0477396 | 0.0809701 | 0.000603874 | 0.0412013 | 2769.32 | 496.351 | 641.218 | 470.084 | 50.0986 | 0 | 21.8338 | 0 | 0 | 0 | 2872.23
90 | Loratadine | 382.883 | 0 | 4 | 3.82683 | 42.43 | 478.354 | 43.046 | -5.24993 | 50 | 0 | 0 | 0 | 0 | 0 | 551.834 | 1.19048 | 18.8028 | 13.169 | 20.28 | 9.21202 | 6.2374 | 13.169 | 1772 | 50 | 0.517149 | 0.184875 | 0.0146892 | -0.0217665 | -0.1249 | -0.0283697 | 0.132482 | -0.0298498 | -0.0304878 | -0.00383121 | 0.00349856 | -0.00633313 | -0.00339807 | 0.858973 | -0.586927 | 0.290573 | 0.0205941 | -0.0379813 | -0.185398 | -0.0420133 | 3539.44 | 677.955 | 819.892 | 643.83 | 80.8806 | 45.3267 | 0 | 0 | 0 | 7.24046 | 3178.04
90 | Mebeverine | 429.549 | 0 | 6 | 4.73654 | 57.23 | 645.862 | 47.934 | -5.10886 | 66 | 0 | 1 | 0 | 1 | 1 | 488.533 | 1 | 22.6396 | 15.0151 | 27.2461 | 15.0089 | 11.6148 | 15.0151 | 3498 | 66 | 0.943347 | -0.1742 | 0.261997 | -0.317427 | 0.000393067 | 0.156918 | 0.0492397 | -0.0154342 | -0.00308748 | -0.00343271 | 0.00640767 | -0.00388358 | -0.00518954 | 1.03183 | -0.487626 | -0.0714284 | 0.268819 | -0.338748 | -0.013896 | 0.149348 | 4491.86 | 657.531 | 796.172 | 256.859 | 93.448 | 16.7054 | 18.6822 | 0 | 43.5313 | 35.8106 | 2604.34
90 | Mefenamic_acid | 241.285 | 2 | 3 | 3.99382 | 49.33 | 327.082 | 28.887 | -4.34671 | 33 | 0 | 0 | 0 | 0 | 0 | 292.218 | 1 | 13.121 | 8.59222 | 14.41 | 6.43787 | 5.26749 | 8.59222 | 602 | 33 | 0.500651 | 0.120058 | -0.110188 | 0.208064 | -0.245047 | 0.0822035 | 0.0840944 | -0.0169804 | -0.00795818 | -0.00359515 | -0.0107339 | -0.0194148 | 0.0169583 | 0.62319 | -0.42859 | 0.289107 | -0.285636 | 0.276811 | -0.298063 | 0.148515 | 2376.71 | 540.694 | 707.722 | 541.517 | 54.7953 | 15.4558 | 0 | 37.7645 | 0 | 0 | 1793.55
90 | Meloxicam | 351.403 | 2 | 7 | 1.57486 | 99.6 | 379.226 | 35.311 | -4.00497 | 36 | 0 | 0 | 0 | 0 | 0 | 510.692 | 1.13333 | 16.7757 | 10.8194 | 17.8112 | 6.71884 | 5.23498 | 10.8194 | 1115 | 36 | 0.767435 | 0.19004 | -0.0536392 | -0.0604128 | 0.111985 | -0.0196104 | 0.488296 | -0.188908 | -0.0545038 | -0.00708205 | 0.0160839 | 0.0576509 | -0.145587 | 1.79324 | -1.08484 | 0.414196 | -0.128299 | -0.532988 | 0.841043 | -0.602007 | 3182.85 | 893.267 | 1221.46 | 1080.99 | 330.341 | 105.511 | 57.0969 | 233.953 | 118.211 | 133.073 | 2468.47
90 | Mifepristone | 415.567 | 1 | 3 | 3.90009 | 40.54 | 581.326 | 48.42 | -5.08842 | 64 | 0 | 0 | 0 | 0 | 5 | 841.382 | 1.26087 | 21.9659 | 14.7708 | 22.7755 | 8.3405 | 5.74219 | 14.7708 | 2363 | 64 | 0.49366 | -0.0124144 | 0.0856416 | -0.234633 | 0.0823281 | 0.0779789 | 0.0318328 | -0.00949897 | 0.00440351 | -0.00714355 | -0.00516285 | -0.00178775 | -0.00298377 | 0.559662 | -0.267308 | 0.0511288 | 0.0612511 | -0.224982 | 0.078579 | 0.0399146 | 4122.84 | 515.444 | 420.392 | 343.187 | 40.4372 | 0 | 0 | 0 | 0 | 0 | 3932.02
90 | [NAME] | 285.338 | 2 | 4 | 0.775373 | 52.93 | 335.338 | 30.593 | -1.99306 | 40 | 0 | 0 | 0 | 0 | 5 | 488.656 | 1.61111 | 14.353 | 10.1259 | 13.44 | 4.29506 | 2.69888 | 10.1259 | 712 | 40 | 0.722331 | -0.21299 | 0.369839 | -0.245822 | -0.0792932 | 0.280825 | 0.00398444 | 0.000573285 | -0.00121537 | -0.00082628 | -0.000559179 | -7.71231e-06 | 4.30393e-05 | 0.674427 | -0.304827 | -0.190601 | 0.333516 | -0.214706 | -0.0813094 | 0.274535 | 2693.64 | 344.561 | 344.436 | 190.857 | 50.7879 | 0 | 33.109 | 0 | 7.36489 | 19.4892 | 2471.57
90 | Moxifloxacin | 401.431 | 2 | 7 | 2.96313 | 82.11 | 467.837 | 41.419 | -4.71047 | 53 | 0 | 0 | 0 | 0 | 2 | 714.285 | 1.18182 | 20.2837 | 13.9904 | 20.8779 | 9.24038 | 6.25719 | 13.9904 | 2006 | 53 | 1.03313 | -0.174043 | -0.0524172 | 0.232665 | -0.149361 | 0.031634 | 0.25101 | -0.0266323 | 0.0418111 | -0.0956283 | -0.00320354 | -0.0164972 | -0.00542706 | 1.34385 | -0.649174 | 0.27643 | -0.533958 | 0.251869 | -0.032829 | 0.172326 | 3975.13 | 616.926 | 901.282 | 588.49 | 132.426 | 13.8452 | 67.1337 | 124.302 | 52.5203 | 24.0663 | 3038.61
90 | Nalidixic_acid | 232.235 | 1 | 5 | 2.17257 | 70.5 | 295.147 | 24.434 | -2.88215 | 29 | 0 | 0 | 0 | 0 | 0 | 372.467 | 1.2 | 12.577 | 8.04091 | 13.4321 | 5.32544 | 3.72889 | 8.04091 | 470 | 29 | 0.637767 | 0.155263 | -0.397325 | 0.439551 | -0.25859 | 0.212195 | 0.263256 | -0.0356996 | 0.0519716 | -0.143431 | 0.0379864 | -0.0675861 | 0.0379864 | 1.14043 | -0.659728 | 0.636508 | -1.0164 | 0.791738 | -0.529292 | 0.491823 | 2369.93 | 572.364 | 792.743 | 372.489 | 75.3477 | 23.6882 | 0 | 85.3803 | 0 | 12.4089 | 1442.01
90 | Nisoldipine | 388.414 | 1 | 8 | 3.03341 | 110.45 | 538.49 | 39.866 | -4.49336 | 52 | 0 | 0 | 0 | 0 | 1 | 642.323 | 1 | 21.0077 | 13.1836 | 24.2711 | 10.8578 | 7.33507 | 13.1836 | 1814 | 52 | 0.796087 | 0.0770281 | -0.16407 | 0.512052 | -0.665441 | 0.168519 | 0.687771 | -0.319768 | 0.102652 | -0.0653128 | -0.151504 | 0.282347 | -0.282773 | 1.90018 | -1.26088 | 0.713967 | -0.398608 | 0.56892 | -0.451585 | -1.18157 | 4208.01 | 928.387 | 936.739 | 1663.18 | 119.744 | 40.4564 | 0 | 86.8115 | 0 | 57.8203 | 2511.59
90 | Papaverine | 339.385 | 0 | 5 | 2.97485 | 49.81 | 452.012 | 37.834 | -3.95463 | 46 | 0 | 0 | 0 | 0 | 0 | 407.157 | 1.125 | 17.8112 | 12.1937 | 19.7531 | 9.27392 | 6.58503 | 12.1937 | 1534 | 46 | 0.785452 | -0.347866 | 0.372453 | -0.0764644 | -0.264378 | 0.0986235 | 0.0265377 | -0.00925384 | -0.000418004 | -0.00155475 | 0.00703591 | 0.0014716 | -0.00621439 | 0.780848 | -0.27594 | -0.296677 | 0.357569 | -0.059304 | -0.29671 | 0.131823 | 3289.63 | 703.783 | 973.707 | 740.971 | 77.4433 | 0 | 37.2779 | 0 | 7.34522 | 14.6771 | 2311.44
90 | Phenazopyridine | 213.239 | 4 | 5 | 2.68688 | 89.65 | 274.807 | 24.399 | -3.8271 | 27 | 0 | 0 | 0 | 0 | 0 | 236.529 | 1 | 11.3805 | 7.75402 | 12.4567 | 6.07438 | 6.37 | 7.75402 | 485 | 27 | 0.442928 | 0.150379 | -0.0640691 | 0.0988555 | -0.202627 | 0.165296 | 0.131391 | -0.0223537 | -0.011026 | -0.00566423 | 0.0224641 | -0.0335285 | -0.0135261 | 0.645115 | -0.398556 | 0.302841 | -0.263568 | 0.253649 | -0.330855 | 0.209266 | 2059.14 | 575.928 | 790.762 | 423.388 | 48.0672 | 11.7763 | 17.0445 | 27.3597 | 12.2874 | 8.12482 | 1177
90 | Phenytoin | 252.268 | 2 | 4 | 2.25238 | 58.2 | 312.679 | 27.951 | -3.48667 | 31 | 0 | 0 | 0 | 0 | 0 | 333.963 | 1 | 13.2947 | 9.23202 | 13.9592 | 5.78 | 4.5 | 9.23202 | 617 | 31 | 0.519089 | 0.282999 | -0.237219 | 0.0914879 | 0.0525976 | -0.0209509 | 0.199219 | -0.00549338 | -0.0827648 | -0.0732493 | 0.0642904 | -0.000732243 | -0.000412967 | 0.969638 | -0.487072 | 0.325796 | -0.631545 | 0.242329 | 0.140784 | 0.0135037 | 2433.16 | 619.377 | 727.009 | 1036.55 | 63.1663 | 62.9534 | 13.552 | 7.54616 | 0 | 0 | 1804.97
90 | Protionamide | 180.271 | 2 | 2 | 1.20392 | 38.91 | 261.136 | 21.788 | -1.92627 | 24 | 0 | 0 | 0 | 0 | 0 | 158.608 | 1 | 8.97469 | 5.73638 | 10.0833 | 4.88889 | 4.59184 | 5.73638 | 206 | 24 | 0.24003 | 0.0518773 | -0.00470526 | -0.0915155 | 0.106585 | -0.0470767 | 0.130551 | -0.0264749 | -0.0336534 | 0.005563 | -0.0277179 | 0.0170077 | 4.61692e-16 | 0.406563 | -0.225944 | 0.126994 | -0.0561152 | -0.195245 | 0.211539 | -0.0753145 | 1617.38 | 324.255 | 382.269 | 74.9683 | 32.5077 | 14.3966 | 0 | 0 | 13.6716 | 0 | 1083.58
90 | Quinalbarbitone | 238.283 | 2 | 5 | 2.27881 | 75.27 | 361.79 | 25.04 | -2.8921 | 35 | 0 | 0 | 0 | 0 | 1 | 327.611 | 1 | 13.052 | 7.98443 | 15.0588 | 6.25 | 3.48444 | 7.98443 | 472 | 35 | 0.59081 | 0.440616 | -0.640568 | 0.483359 | -0.103132 | -0.025892 | 0.259342 | 0.00561979 | -0.109413 | -0.106164 | 0.0802352 | 0.000339089 | -0.000990845 | 1.20809 | -0.523475 | 0.491492 | -1.30134 | 0.893802 | -0.139356 | 0.0154356 | 2666.96 | 424.136 | 319.422 | 187.178 | 86.1496 | 91.4341 | 0 | 61.3028 | 0 | 0 | 1439.41
90 | Rabeprazole | 359.444 | 1 | 6 | 0.22503 | 74.75 | 450.819 | 39.866 | -3.02607 | 46 | 0 | 0 | 0 | 0 | 0 | 445.649 | 1.13333 | 17.6481 | 12.1859 | 19.7531 | 9.7963 | 8.96296 | 12.1859 | 1695 | 46 | 0.677314 | -0.104814 | -0.0416246 | -0.00797027 | 0.133316 | -0.085232 | 2.34031 | 1.00647 | 0.102221 | -0.197035 | -0.0805956 | 0.00787397 | -0.007547 | 2.98493 | 0.788402 | -0.201099 | -0.513628 | -0.023961 | -0.0650569 | 0.00680862 | 3387.91 | 1818.22 | 1615.55 | 1480.76 | 1094.14 | 36.2177 | 68.0552 | 50.1302 | 122.214 | 74.8661 | 2468.72
90 | Riluzole | 234.199 | 2 | 3 | 2.24383 | 48.14 | 219.034 | 19.349 | -3.12568 | 20 | 0 | 0 | 0 | 0 | 0 | 238.417 | 1.22222 | 11.052 | 6.93847 | 11.4844 | 4.10764 | 6.22222 | 6.93847 | 369 | 20 | 0.689432 | 0.456725 | -0.231112 | 0.120425 | -0.0875661 | 0.0781057 | 0.0926458 | -0.00938302 | -0.0256966 | -3.53003e-05 | -0.00960524 | -0.00557808 | 0.00397529 | 0.83382 | -0.723366 | 0.519572 | -0.274953 | 0.0759731 | -0.00450161 | -0.0217582 | 1986.82 | 428.156 | 662.82 | 316.267 | 167.188 | 205.93 | 0 | 31.4427 | 6.20964 | 117.665 | 1054.98
90 | Sparfloxacin | 392.4 | 4 | 7 | 2.58937 | 98.9 | 454.361 | 39.272 | -4.75097 | 50 | 0 | 0 | 0 | 0 | 2 | 672.188 | 1.10526 | 20.3255 | 13.2013 | 21.2404 | 9.01333 | 5.58678 | 13.2013 | 1781 | 50 | 1.07019 | -0.123272 | -0.245767 | 0.516089 | -0.315448 | 0.309092 | 0.284704 | -0.0377573 | 0.0418841 | -0.126551 | 0.024228 | -0.0179581 | -0.0071144 | 1.35465 | -0.720424 | 0.459452 | -0.828637 | 0.700754 | -0.513118 | 0.582578 | 3885.63 | 620.186 | 926.061 | 653.599 | 151.061 | 13.8462 | 91.3056 | 170.808 | 70.7778 | 52.776 | 2811.86
90 | Sulfisomidine | 278.331 | 3 | 6 | 0.463179 | 97.97 | 337.983 | 29.574 | -2.77935 | 33 | 0 | 0 | 0 | 0 | 0 | 297.454 | 1 | 14.0436 | 8.86501 | 15.39 | 6.18549 | 6.32099 | 8.86501 | 722 | 33 | 0.516216 | 0.348887 | -0.320442 | 0.20535 | -0.314957 | 0.435584 | 0.405556 | -0.24541 | 0.117528 | -0.193985 | 0.212844 | -0.140232 | 0.0632275 | 1.44372 | -1.12356 | 0.955397 | -1.01417 | 0.945142 | -1.02751 | 0.969996 | 2704.8 | 781.646 | 1003.3 | 739.195 | 253.466 | 52.5886 | 23.4088 | 18.9737 | 73.1109 | 52.5168 | 1769.67
90 | Sulindac | 356.412 | 1 | 3 | 3.50399 | 54.37 | 418.309 | 40.061 | -5.58461 | 42 | 0 | 0 | 0 | 0 | 0 | 559.577 | 1.13333 | 18.1375 | 11.8631 | 19.7531 | 8.34714 | 7.26 | 11.8631 | 1517 | 42 | 0.507361 | 0.138512 | -0.109155 | -0.0163421 | 0.0825799 | -0.127301 | 2.30311 | 0.9409 | 0.0217762 | 0.0834739 | 0.0355263 | 0.252775 | 0.0271788 | 2.71021 | 0.370375 | 0.236712 | -0.0471143 | 0.184161 | 0.555177 | -0.338682 | 3230.68 | 1818.63 | 1323.86 | 1160.02 | 1096.63 | 16.9365 | 0 | 0 | 0 | 0 | 2984.77
90 | Telithromycin | 812.004 | 1 | 15 | 3.12589 | 171.85 | 1172.29 | 85.572 | -6.21753 | 123 | 2 | 3 | 1 | 1 | 13 | 1423.27 | 1.05882 | 42.6891 | 27.3592 | 49.0224 | 21.1191 | 14.5173 | 27.3592 | 14388 | 123 | 1.96078 | -0.104995 | 0.288493 | -0.314745 | 0.222352 | -0.213085 | 0.312524 | -0.036076 | -0.112692 | -0.0110644 | 0.0680325 | -0.0384403 | 0.0158821 | 2.59347 | -1.2879 | 0.0844577 | 0.143935 | -0.298663 | 0.163341 | -0.175668 | 8624.99 | 1006.46 | 712.996 | 756.901 | 194.378 | 82.7747 | 66.9932 | 106.907 | 115.76 | 123.681 | 5963.26
90 | Thiabendazole | 201.249 | 1 | 3 | 2.20058 | 41.57 | 213.183 | 23.711 | -3.01992 | 21 | 0 | 0 | 0 | 0 | 0 | 211.544 | 1.14286 | 9.38047 | 6.93265 | 9.24219 | 3.86777 | 5.48097 | 6.93265 | 293 | 21 | 0.348995 | -0.0173363 | 0.149295 | -0.0980644 | -0.0236972 | 0.0482291 | 0.139063 | -0.000126651 | -0.0724849 | 0.00835415 | 0.00361999 | 0.000888454 | -0.00438284 | 0.518253 | -0.251028 | -0.0390188 | 0.184457 | -0.210614 | 0.0479589 | 0.032161 | 1648.67 | 441.102 | 651.487 | 292.321 | 48.3768 | 13.7414 | 7.21229 | 25.3896 | 0 | 0 | 1450.89
90 | Tiagabine | 375.55 | 1 | 3 | 2.57586 | 40.54 | 492.751 | 41.666 | -3.79408 | 50 | 0 | 0 | 0 | 0 | 1 | 468.316 | 1 | 17.8112 | 12.0586 | 19.7531 | 9.27392 | 9.48245 | 12.0586 | 1596 | 50 | 0.519026 | 0.0333267 | -0.0918961 | 0.157463 | -0.0549293 | -0.0481254 | 0.0447125 | -0.0113744 | -0.0110916 | -0.000870892 | 0.00200329 | -0.00134373 | -0.000192934 | 0.645707 | -0.356538 | 0.0974403 | -0.157037 | 0.187388 | -0.047736 | -0.0682948 | 3385.42 | 470.41 | 439.469 | 171.515 | 102.732 | 16.9329 | 0 | 46.5047 | 0 | 19.1085 | 2753.18
90 | Tibolone | 312.446 | 1 | 2 | 2.97003 | 37.3 | 457.404 | 35.64 | -3.45092 | 51 | 0 | 0 | 0 | 0 | 6 | 605.326 | 1.35294 | 16.4054 | 10.8938 | 16.4675 | 5.5 | 3.66514 | 10.8938 | 1036 | 51 | 0.372474 | 0.00598542 | 0.0826053 | -0.145619 | -0.0172673 | 0.0946958 | 0.00956069 | -0.00478034 | -0.000320305 | 0.000640611 | -0.000320305 | 2.24313e-16 | -3.25973e-05 | 0.439253 | -0.211114 | 0.00884385 | 0.0770642 | -0.14524 | -0.0214601 | 0.103738 | 3210.64 | 262.009 | 53.3898 | 0 | 30.0049 | 0 | 0 | 0 | 0 | 0 | 2852.39
90 | Tolazoline | 160.216 | 1 | 2 | 1.54437 | 24.39 | 223.919 | 19.411 | -1.95548 | 24 | 0 | 0 | 0 | 0 | 0 | 159.467 | 1 | 8.22577 | 5.94949 | 8.59172 | 4.29688 | 7.43802 | 5.94949 | 209 | 24 | 0.23861 | 0.00827962 | -0.0839776 | 0.0888423 | -0.000832466 | -0.0444514 | 0.105387 | -0.0257877 | -0.0272625 | 0.000494161 | -3.85225e-05 | 2.3399e-05 | -0.000122187 | 0.451335 | -0.227364 | 0.05074 | -0.124477 | 0.106182 | 0.00819409 | -0.0447131 | 1571.61 | 297.02 | 253.762 | 157.97 | 16.5174 | 2.95803 | 0 | 0 | 0 | 0 | 964.389
90 | Triamcinolone_acetonide | 434.498 | 2 | 6 | 1.2672 | 93.06 | 569.838 | 43.189 | -2.88052 | 62 | 0 | 0 | 0 | 0 | 8 | 892.506 | 1.4 | 22.6125 | 14.3548 | 22.7755 | 6.78044 | 4.07202 | 14.3548 | 2185 | 62 | 1.03418 | -0.156107 | 0.172631 | 0.140876 | -0.226839 | -0.130219 | 0.0333348 | -0.0135799 | 0.0123743 | -0.0154618 | -6.52062e-16 | 4.50423e-16 | 2.70533e-16 | 1.20385 | -0.561709 | -0.147576 | 0.152094 | 0.128549 | -0.218941 | -0.120757 | 4347.79 | 438.321 | 292.887 | 106.902 | 101.588 | 14.3031 | 45.1636 | 28.9873 | 24.985 | 74.6865 | 3595.87
91 | Diltiazem | 414.519 | 0 | 6 | 2.85697 | 59.08 | 556.504 | 45.488 | -4.37033 | 55 | 0 | 0 | 0 | 0 | 2 | 565.016 | 1.11765 | 20.9659 | 13.9011 | 23.6587 | 11.0395 | 7.5712 | 13.9011 | 2077 | 55 | 0.833956 | -0.138468 | 0.241349 | -0.360068 | 0.218864 | 0.11192 | 0.121526 | -0.0135789 | -0.042655 | -0.000812174 | -0.0150589 | -0.00170892 | -0.00214021 | 1.11544 | -0.494508 | -0.0535028 | 0.135114 | -0.549327 | 0.465707 | 0.158857 | 4008.51 | 739.038 | 772.142 | 1148.51 | 122.447 | 34.4195 | 101.205 | 16.5184 | 55.4819 | 38.8872 | 3228.82
91 | Hydrocortisone | 362.46 | 3 | 5 | 0.499994 | 94.83 | 505.721 | 38.104 | -2.07864 | 56 | 0 | 0 | 0 | 0 | 7 | 659.277 | 1.35294 | 18.9054 | 12.1705 | 19.3222 | 6.25 | 3.8058 | 12.1705 | 1425 | 56 | 0.851348 | -0.158944 | 0.201442 | 0.0121433 | -0.0344472 | -0.258364 | 0.0267408 | -0.012621 | 0.0057535 | -0.0065029 | -5.33579e-17 | 5.13479e-16 | 3.66689e-16 | 1.00732 | -0.46496 | -0.193071 | 0.254572 | -0.0205369 | -0.0346896 | -0.255125 | 3742.45 | 342.592 | 127.289 | 49.0356 | 67.8496 | 0 | 29.0987 | 11.1465 | 11.0359 | 14.2726 | 3131.91
91 | Naloxone | 327.374 | 2 | 5 | 0.612086 | 70 | 393.499 | 34.349 | -2.05885 | 45 | 0 | 0 | 0 | 0 | 4 | 593.916 | 1.61111 | 16.6899 | 11.5258 | 16.1939 | 5.26087 | 3.0214 | 11.5258 | 1047 | 45 | 0.839891 | -0.22491 | 0.380579 | -0.324046 | -0.0599781 | 0.365526 | 0.0129108 | -0.00387768 | 0.00115759 | -0.00487254 | 0.000446634 | 0.00090875 | -0.000127303 | 0.86082 | -0.369167 | -0.224977 | 0.38319 | -0.348558 | -0.0618173 | 0.416427 | 3158.47 | 470.148 | 377.112 | 369.745 | 70.0645 | 0 | 43.6435 | 14.794 | 22.0862 | 39.4593 | 2781.71
91 | Terazosin | 387.433 | 2 | 9 | 0.960269 | 103.04 | 483.807 | 40.807 | -3.18814 | 53 | 0 | 0 | 0 | 0 | 1 | 544.417 | 1.09524 | 19.673 | 13.6009 | 21.2404 | 9.42769 | 7.65052 | 13.6009 | 2195 | 53 | 1.08189 | -0.0395625 | 0.180602 | -0.0531404 | -0.107432 | 0.00898625 | 0.209734 | -0.0791264 | 0.0200442 | -0.0259508 | 0.00850974 | -0.0548778 | -0.0481345 | 1.49279 | -0.947504 | 0.392146 | -0.0252736 | -0.0288655 | -0.135538 | -0.300944 | 3921.04 | 619.822 | 803.255 | 482.498 | 111.111 | 31.3553 | 60.6003 | 26.0086 | 52.3148 | 54.1921 | 2516.39
92 | Isradipine | 371.387 | 1 | 8 | 2.84697 | 103.55 | 481.773 | 37.977 | -4.55563 | 48 | 0 | 0 | 0 | 0 | 1 | 635.815 | 1.13333 | 19.7148 | 12.8454 | 21.7027 | 9.21202 | 6.77954 | 12.8454 | 1593 | 48 | 0.804465 | 0.0795427 | -0.255388 | 0.642167 | -0.823613 | 0.246055 | 0.347363 | -0.0942396 | 0.0495879 | -0.0797248 | 0.0290729 | -0.163719 | 0.101968 | 1.20299 | -0.832342 | 0.703797 | -0.537147 | 0.82507 | -1.49687 | 0.780747 | 3891.5 | 767.407 | 939.855 | 1409.48 | 193.966 | 38.7984 | 0 | 86.9686 | 0 | 128.579 | 2433.26
93 | Alprenolol | 249.349 | 2 | 3 | 2.85373 | 41.49 | 400.049 | 29.382 | -2.71805 | 41 | 0 | 0 | 0 | 0 | 1 | 230.533 | 1 | 13.3805 | 8.63023 | 16.0556 | 8.99174 | 8.70748 | 8.63023 | 711 | 41 | 0.539655 | -0.136655 | 0.178438 | -0.10071 | 0.0361843 | -0.0347753 | 0.00343998 | -0.000624564 | -0.000304013 | -0.000251968 | -0.000539308 | -2.84916e-07 | 1.48428e-07 | 0.522782 | -0.229073 | -0.109005 | 0.160993 | -0.116501 | 0.0607202 | -0.0388465 | 2602.51 | 304.832 | 286.178 | 174.2 | 32.3898 | 0 | 19.6403 | 6.9371 | 0 | 0 | 1448.48
93 | Amrinone | 187.198 | 3 | 4 | 0.401556 | 68.01 | 232.14 | 21.326 | -1.96424 | 23 | 0 | 0 | 0 | 0 | 0 | 284.772 | 1 | 9.96626 | 6.77086 | 10.5156 | 4.68 | 4.38781 | 6.77086 | 303 | 23 | 0.460337 | -0.0161592 | 0.216451 | -0.205003 | 0.0220016 | 0.036341 | 0.221177 | -0.0049373 | -0.0791598 | -0.0543793 | 0.0411542 | -0.00207616 | -0.00601038 | 0.780798 | -0.315093 | -0.00777795 | 0.0825003 | -0.233349 | 0.0768462 | 0.0712276 | 1811.09 | 480.892 | 659.767 | 374.692 | 56.9539 | 12.1958 | 29.62 | 0 | 0 | 9.80816 | 1170.76
93 | Scopolamine | 303.353 | 1 | 5 | 0.827576 | 62.3 | 386.164 | 31.645 | -1.76582 | 43 | 0 | 0 | 0 | 0 | 5 | 412.742 | 1.33333 | 15.2672 | 10.6859 | 15.5232 | 7.26644 | 6.20408 | 10.6859 | 1081 | 43 | 0.729707 | -0.120958 | -0.182188 | 0.426626 | -0.14143 | -0.0722968 | 0.0372105 | -0.011382 | -0.00769001 | 0.000706772 | -0.000154177 | 6.02974e-05 | -0.000146117 | 0.87194 | -0.387731 | -0.0786689 | -0.223443 | 0.498137 | -0.210725 | -0.0686515 | 2969.49 | 378.841 | 282.579 | 284.06 | 66.5874 | 17.8343 | 7.07234 | 36.0961 | 19.197 | 6.57031 | 1893.1
93 | Tetrahydrocannabinol | 314.462 | 1 | 2 | 6.41765 | 29.46 | 476.727 | 37.493 | -5.8622 | 53 | 1 | 1 | 1 | 1 | 2 | 422.17 | 1.28571 | 16.6125 | 10.9199 | 17.8112 | 7.08692 | 5.5 | 10.9199 | 1150 | 53 | 0.436182 | 0.0685391 | -0.210297 | 0.293649 | -0.215869 | 0.154982 | 0.0122469 | -0.00499478 | 0.00201574 | -0.00253418 | -0.000345534 | -0.000562795 | 0.000298077 | 0.403236 | -0.247285 | 0.175359 | -0.292805 | 0.349565 | -0.267313 | 0.181148 | 3253.49 | 331.316 | 346.134 | 167.802 | 36.7161 | 0 | 0 | 18.3333 | 0 | 0 | 2543.56
94 | Atropine | 289.369 | 1 | 4 | 1.80189 | 49.77 | 403.775 | 31.782 | -2.38513 | 44 | 0 | 0 | 0 | 0 | 3 | 347.608 | 1.21429 | 14.8196 | 10.1859 | 15.879 | 7.05078 | 6.32813 | 10.1859 | 959 | 44 | 0.623683 | -0.0293114 | -0.263814 | 0.470899 | -0.22564 | 0.0242801 | 0.037212 | -0.0113822 | -0.00769054 | 0.000706787 | -0.000154186 | 6.03001e-05 | -0.000146118 | 0.765917 | -0.363499 | 0.0124632 | -0.309643 | 0.527839 | -0.288825 | 0.080886 | 2958.92 | 362.442 | 282.578 | 255.677 | 50.1875 | 17.8335 | 0 | 35.7454 | 0 | 6.29698 | 1898.37
94 | Clozapine | 326.823 | 1 | 4 | 3.41505 | 30.87 | 392.511 | 38.355 | -4.8147 | 42 | 0 | 0 | 0 | 0 | 0 | 440.634 | 1.19048 | 15.8112 | 11.2035 | 16.4675 | 7.08692 | 5.23498 | 11.2035 | 1082 | 42 | 0.425099 | -0.0766883 | 0.0328677 | 0.0205217 | -0.00958028 | -0.0518015 | 0.113358 | -0.0169035 | -0.0112031 | -0.0313495 | 0.0115231 | -0.00883032 | -0.00034905 | 0.538426 | -0.287899 | 0.0642816 | -0.057421 | 0.0168475 | 0.0335256 | -0.0527311 | 2894.22 | 531.416 | 833.863 | 559.311 | 70.3235 | 4.73 | 12.0224 | 24.8052 | 25.987 | 22.313 | 2807.26
94 | Felodipine | 384.253 | 1 | 5 | 3.73088 | 64.63 | 485.854 | 38.075 | -4.95303 | 44 | 0 | 0 | 0 | 0 | 1 | 566.26 | 1 | 18.7233 | 11.8278 | 21.3018 | 9.27392 | 5.7363 | 11.8278 | 1300 | 44 | 0.760516 | 0.0919877 | -0.199529 | 0.551497 | -0.781311 | 0.467959 | 0.259501 | -0.0314019 | 0.0281432 | -0.0667763 | -0.016791 | -0.0856585 | 0.0446245 | 1.1425 | -0.800375 | 0.663608 | -0.463901 | 0.67745 | -1.3239 | 0.779899 | 3454.64 | 706.656 | 802.555 | 1307.97 | 151.487 | 27.3336 | 29.0022 | 86.7825 | 0 | 170.424 | 2460.53
94 | Fluconazole | 306.271 | 1 | 7 | 0.290025 | 81.65 | 343.78 | 28.876 | -2.12673 | 34 | 0 | 0 | 0 | 0 | 0 | 358.439 | 1 | 15.5791 | 10.5663 | 16.8438 | 7.26644 | 8.44444 | 10.5663 | 1000 | 34 | 0.706819 | -0.143383 | -0.016135 | 0.112192 | -0.0492296 | -0.015066 | 0.3443 | -0.118436 | -0.0529618 | -0.0168173 | 0.100579 | -0.0749498 | -0.0812155 | 1.11741 | -0.517754 | 0.0410704 | -0.24697 | 0.282583 | -0.167097 | 0.0388406 | 2910.26 | 647.097 | 688.61 | 757.794 | 92.0848 | 14.1804 | 22.5934 | 63.9859 | 54.2872 | 46.9588 | 1640.49
94 | Nicotinic_acid | 123.109 | 1 | 3 | 0.399353 | 50.19 | 161.096 | 12.283 | -0.65264 | 14 | 0 | 0 | 0 | 0 | 0 | 113.625 | 1 | 6.69023 | 4.30453 | 7.11111 | 3.23967 | 3.55556 | 4.30453 | 88 | 14 | 0.435122 | 0.074692 | -0.0770657 | 0.1258 | -0.0628497 | -0.0266975 | 0.0619728 | -0.0297497 | 0.0176685 | -0.03123 | 0.01995 | -0.0076252 | 5.28883e-18 | 0.66487 | -0.408542 | 0.194374 | -0.259235 | 0.283429 | -0.138365 | -0.0225653 | 1237.75 | 388.071 | 443.147 | 91.575 | 36.6697 | 16.4458 | 0 | 13.9849 | 0 | 0 | 468.063
95 | Acipimox | 154.124 | 1 | 5 | -1.26207 | 78.41 | 192.879 | 14.106 | 0.2643 | 17 | 0 | 0 | 0 | 0 | 0 | 262.377 | 1 | 8.43072 | 5.10906 | 9.09091 | 3.6 | 3.26531 | 5.10906 | 152 | 17 | 0.489826 | -0.0360865 | 0.0799986 | -0.0780876 | 0.0518923 | 0.032499 | 0.753384 | -0.25566 | -0.101498 | -0.0304828 | -0.0497903 | 0.0607394 | 5.88003e-18 | 1.57071 | -0.571582 | -0.125744 | 0.0429275 | -0.58672 | 0.591232 | -0.0901677 | 1663.84 | 533.36 | 603.119 | 152.276 | 187.817 | 17.4374 | 40.5234 | 103.265 | 5.24356 | 0 | 570.909
95 | Amitriptyline | 277.403 | 0 | 1 | 4.93148 | 3.24 | 401.576 | 36.247 | -5.10207 | 44 | 0 | 0 | 0 | 0 | 0 | 325.411 | 1.26667 | 14.6565 | 10.254 | 15.879 | 7.51301 | 5.2898 | 10.254 | 882 | 44 | 0.176237 | -0.102005 | 0.0119663 | 0.00911348 | -0.0244068 | 0.0346149 | 0.000297887 | -7.1587e-05 | -0.000127885 | 8.3849e-05 | -5.07792e-05 | 1.9519e-05 | -2.34631e-06 | 0.174876 | -0.000498989 | -0.0990089 | 0.00743418 | 0.00555872 | -0.0175708 | 0.0329941 | 2701.38 | 441.713 | 594.506 | 427.064 | 2.64135 | 0 | 0 | 0 | 0 | 0 | 2592.29
95 | Amobarbital | 224.256 | 0 | 5 | 2.3051 | 87.91 | 370.476 | 22.503 | -2.33867 | 32 | 0 | 0 | 0 | 0 | 0 | 303.191 | 1 | 12.3449 | 7.41956 | 14.0625 | 5.55766 | 3.76923 | 7.41956 | 418 | 32 | 0.55611 | 0.300314 | -0.436699 | 0.248845 | -0.0703474 | 0.174454 | 1.00258 | -0.208254 | 0.996783 | -0.250071 | 0.96025 | -2.32783e-18 | 3.19848e-16 | 2.6268 | -1.6065 | 2.0522 | -1.72554 | 2.19071 | -0.17348 | 0.357057 | 2558.03 | 213.857 | 204.02 | 0 | 5.63584 | 2.64723 | 0 | 6.20116 | 0 | 0 | 1179.67
95 | Amoxapine | 313.781 | 1 | 4 | 3.40566 | 36.86 | 361.65 | 35.317 | -4.6482 | 38 | 0 | 0 | 0 | 0 | 0 | 418.531 | 1.19048 | 14.9409 | 10.8097 | 15.5232 | 6.85714 | 4.99671 | 10.8097 | 936 | 38 | 0.482669 | -0.0753201 | 0.0948705 | -0.150166 | 0.219613 | -0.145536 | 0.088738 | -0.0192593 | -0.00567364 | -0.0191965 | 0.0108106 | -0.00811236 | -0.00206023 | 0.603746 | -0.340492 | 0.0324768 | 0.101623 | -0.232382 | 0.266605 | -0.184997 | 2731.09 | 569.443 | 906.357 | 609.471 | 75.6263 | 4.87714 | 12.5085 | 21.0866 | 57.6332 | 0 | 2461.93
95 | Baclofen | 213.661 | 3 | 3 | 1.76047 | 63.32 | 284.639 | 21.776 | -2.22151 | 26 | 0 | 0 | 0 | 0 | 1 | 190.561 | 1 | 10.552 | 6.59222 | 12.0714 | 5.77778 | 6.1875 | 6.59222 | 339 | 26 | 0.509861 | 0.173145 | -0.0407988 | -0.183671 | 0.209921 | -0.0337945 | 0.0385248 | -0.011842 | -0.00741366 | 6.07658e-05 | -0.00056102 | 0.00107549 | -0.0019316 | 0.648172 | -0.4423 | 0.239633 | -0.0773209 | -0.221451 | 0.259328 | -0.0584959 | 1953.73 | 383.932 | 318.458 | 189.167 | 65.5954 | 16.8926 | 0 | 0 | 12.425 | 8.07136 | 1089.99
95 | Carbimazole | 186.233 | 0 | 4 | 0.620403 | 32.78 | 251.524 | 19.576 | -1.67593 | 22 | 0 | 0 | 0 | 0 | 0 | 224.801 | 1 | 9.13783 | 5.6639 | 10.0833 | 4.29688 | 4 | 5.6639 | 199 | 22 | 0.45862 | 0.256378 | -0.185326 | 0.144477 | -0.0256873 | -0.0646757 | 0.486318 | -0.0108665 | -0.291943 | -0.00167629 | 0.0613268 | -2.52157e-16 | 1.70145e-15 | 0.997946 | -0.493031 | 0.122214 | -0.330259 | 0.346285 | -0.0392924 | -0.104252 | 1777.55 | 351.967 | 469.583 | 0 | 123.954 | 141.989 | 0 | 62.7038 | 0 | 0 | 899.794
95 | Carteolol | 292.373 | 3 | 5 | 1.12319 | 70.59 | 426.578 | 32.742 | -2.20925 | 45 | 0 | 0 | 0 | 0 | 1 | 353.921 | 1.2 | 15.4578 | 9.84916 | 17.3554 | 7.51301 | 8.26531 | 9.84916 | 1044 | 45 | 0.711065 | 0.0462446 | 0.0149364 | 0.00338949 | -0.144071 | 0.10216 | 0.0904716 | -0.00412492 | -0.044202 | -0.0133875 | 0.0210651 | -0.00757333 | 0.00298693 | 0.850287 | -0.431912 | 0.11466 | -0.112562 | 0.0151135 | -0.155451 | 0.209733 | 3057.8 | 365.679 | 376.166 | 209.776 | 67.6399 | 15.7544 | 19.6995 | 28.9602 | 0 | 13.5998 | 1856.19
95 | [NAME] | 349.406 | 4 | 7 | -0.268748 | 112.73 | 430.404 | 35.436 | -2.14092 | 43 | 0 | 0 | 0 | 0 | 3 | 642.119 | 1.14286 | 17.4304 | 11.4136 | 18.7811 | 8.58951 | 6.68245 | 11.4136 | 1383 | 43 | 0.941355 | 0.0176587 | 0.575091 | -0.688034 | 0.123032 | 0.408602 | 0.178702 | -0.0246984 | -0.0440484 | -0.00362615 | -0.0476514 | 0.0359177 | -0.00587214 | 1.40101 | -0.770701 | 0.0834445 | 0.492746 | -0.969177 | 0.446369 | 0.348639 | 3373.37 | 623.435 | 549.837 | 586.245 | 131.932 | 76.2759 | 114.092 | 17.9144 | 114.28 | 55.8259 | 2229.52
95 | Chorpropamide | 276.741 | 2 | 5 | 1.77289 | 75.27 | 337.036 | 27.016 | -3.25027 | 30 | 0 | 0 | 0 | 0 | 0 | 257.936 | 1 | 12.8889 | 7.95353 | 15.0588 | 6.80529 | 6.47934 | 7.95353 | 566 | 30 | 0.498122 | 0.395157 | -0.314751 | 0.149904 | -0.0654166 | 0.0740799 | 0.446539 | -0.185131 | 0.0224593 | -0.168231 | 0.109368 | 0.00362102 | -0.00359118 | 1.50521 | -1.0229 | 0.82118 | -1.04759 | 0.708006 | -0.207673 | 0.0872239 | 2584.75 | 656.754 | 817.381 | 390.097 | 288.338 | 84.0707 | 87.6529 | 44.498 | 74.2935 | 62.8794 | 1491.29
95 | Clomethiazole | 161.653 | 0 | 1 | 1.56302 | 12.89 | 206.925 | 16.38 | -1.89819 | 17 | 0 | 0 | 0 | 0 | 0 | 89.127 | 1 | 6.69023 | 4.34254 | 7.11111 | 3.23967 | 4.5 | 4.34254 | 90 | 17 | 0.129595 | -0.00352834 | -0.0246399 | -0.0215808 | 0.0406919 | -0.0122322 | 0.0310641 | -0.00769805 | -0.00783399 | -3.92011e-16 | 1.31901e-16 | -4.64764e-17 | 5.11334e-31 | 0.227177 | -0.0881227 | -0.00468266 | -0.0352086 | -0.0166726 | 0.0433301 | -0.0122322 | 1210.68 | 187.241 | 132.934 | 68.1766 | 60.9787 | 9.78731 | 0 | 28.518 | 7.97005 | 0 | 756.527
95 | Clomipramine | 314.852 | 0 | 2 | 4.57403 | 6.48 | 426.459 | 38.009 | -5.03681 | 45 | 0 | 0 | 0 | 0 | 0 | 346.327 | 1.26667 | 15.5267 | 10.6479 | 16.8438 | 7.7135 | 5.5515 | 10.6479 | 995 | 45 | 0.251101 | -0.0642054 | -0.0387462 | 0.035459 | -0.0225474 | 0.000265627 | 0.0316918 | 0.00324404 | -0.015616 | -0.00333913 | -0.0029303 | 0.00079925 | 0.00140877 | 0.217274 | -0.0515919 | -0.0336842 | -0.0578002 | 0.0285541 | -0.0443504 | 0.0730142 | 2879.24 | 422.622 | 558.137 | 381.007 | 53.7381 | 0 | 0 | 33.0041 | 0 | 0 | 2717.87
95 | Clonidine | 230.093 | 2 | 3 | 2.59204 | 36.42 | 257.799 | 23.453 | -3.54966 | 23 | 0 | 0 | 0 | 0 | 0 | 205.348 | 1 | 9.96626 | 6.77086 | 10.5156 | 4.68 | 5.48097 | 6.77086 | 301 | 23 | 0.360928 | 0.161753 | -0.102766 | -0.105418 | 0.244505 | -0.0951618 | 0.14598 | -0.0168869 | -0.0146492 | -0.0232519 | -0.00945536 | -0.00151823 | -0.00722824 | 0.543713 | -0.413918 | 0.249298 | -0.00256006 | -0.131679 | 0.122524 | -0.0699489 | 1776.8 | 374.639 | 487.735 | 230.577 | 93.3444 | 24.521 | 9.36045 | 29.0016 | 89.5788 | 0 | 1269.86
95 | Clopenthixol | 400.965 | 1 | 3 | 4.17717 | 26.71 | 497.238 | 45.759 | -5.22331 | 52 | 0 | 0 | 0 | 0 | 0 | 502.737 | 1.2 | 18.6396 | 13.2415 | 20.28 | 9.66686 | 8.09951 | 13.2415 | 2000 | 52 | 0.484628 | -0.186385 | 0.121892 | -0.0406658 | -0.0440003 | 0.0649387 | 0.00173913 | 0.000332542 | -0.000742176 | -0.000783482 | -3.32469e-05 | 0.000260304 | 0.000266677 | 0.47835 | -0.151121 | -0.185838 | 0.12137 | -0.0327115 | -0.0410753 | 0.0562094 | 3433.55 | 526.099 | 826.745 | 495.264 | 76.4485 | 0 | 8.36028 | 0 | 30.0522 | 5.47389 | 3279.59
95 | Diethylpropion | 205.296 | 0 | 2 | 2.78394 | 20.31 | 337.579 | 24.716 | -2.63222 | 34 | 0 | 0 | 0 | 0 | 1 | 192.713 | 1 | 11.2591 | 7.20191 | 13.0667 | 6.55402 | 4.57143 | 7.20191 | 376 | 34 | 0.252498 | -0.122074 | 0.0607352 | 0.043133 | 0.0165228 | -0.0563599 | 0.0123622 | -0.00628568 | 0.00344013 | -0.00269496 | 0.00066978 | -0.00131038 | -1.39567e-16 | 0.33066 | -0.104983 | -0.142029 | 0.0978772 | 0.0378125 | 0.0140981 | -0.0784688 | 2198.97 | 313.519 | 321.512 | 71.1856 | 19.8651 | 0 | 7.10088 | 0 | 0 | 0 | 1286.01
95 | Disopyramide | 337.459 | 0 | 4 | 4.16996 | 61.49 | 542.826 | 39.741 | -4.55078 | 52 | 0 | 0 | 0 | 0 | 1 | 409.364 | 1 | 18.4494 | 11.8916 | 21.3018 | 9.7963 | 6.58503 | 11.8916 | 1372 | 52 | 0.404544 | -0.0561664 | -0.222636 | 0.0996838 | 0.20385 | -0.0297663 | 2.55142 | -0.0583511 | 0.786813 | -0.0745604 | 0.22918 | -0.154071 | -0.0048436 | 3.61268 | -0.770584 | 0.944453 | -0.378397 | 1.06544 | 0.40742 | -0.416759 | 3474.53 | 457.683 | 513.511 | 504.664 | 9.22397 | 1.35816 | 0 | 4.26009 | 7.12817 | 0 | 2564.46
95 | Domperidone | 440.926 | 3 | 8 | 2.97437 | 79.95 | 515.545 | 49.008 | -5.8314 | 56 | 0 | 0 | 0 | 0 | 0 | 672.387 | 1.16667 | 21.3717 | 15.0805 | 22.7755 | 10.092 | 9.79592 | 15.0805 | 3231 | 56 | 0.808475 | 0.277366 | -0.0883837 | -0.00190192 | -0.0956831 | 0.0631401 | 0.447196 | 0.0161465 | -0.241846 | -0.0551733 | 0.0183778 | 0.0432909 | -0.00439394 | 1.37493 | -0.63162 | 0.12282 | -0.208096 | 0.0874969 | -0.141737 | 0.0460839 | 4165.53 | 690.832 | 1041.16 | 265.591 | 183.299 | 107.001 | 26.3209 | 42.7178 | 49.057 | 42.0108 | 3320.23
95 | Dothiepin | 295.443 | 0 | 1 | 4.57801 | 3.24 | 404.449 | 37.412 | -5.05804 | 42 | 0 | 0 | 0 | 0 | 0 | 357.139 | 1.26667 | 14.6565 | 10.254 | 15.879 | 7.51301 | 5.2898 | 10.254 | 882 | 42 | 0.200034 | -0.112781 | 0.0246487 | 0.0201865 | -0.0317989 | 0.0124348 | 0.000776322 | -9.26816e-05 | -0.000293382 | -1.9842e-05 | -1.80788e-05 | 6.75859e-05 | -3.41225e-05 | 0.196594 | -0.0162598 | -0.106136 | 0.0191872 | 0.0153506 | -0.022502 | 0.0110845 | 2650.59 | 475.588 | 691.054 | 459.297 | 29.3208 | 0 | 0 | 0 | 0 | 0 | 2775.74
95 | Fludrocortisone_acetate | 422.487 | 2 | 6 | 0.627486 | 100.9 | 570.271 | 41.769 | -2.33214 | 61 | 0 | 0 | 0 | 0 | 7 | 812.005 | 1.35294 | 22.1125 | 13.8984 | 23.168 | 7.51603 | 4.44612 | 13.8984 | 2176 | 61 | 1.00976 | -0.132054 | 0.307645 | -0.0968389 | -0.129162 | -0.0996853 | 0.0639439 | -0.0239811 | 0.0013832 | -0.00230519 | -0.0172039 | 0.0101351 | -1.29925e-15 | 1.30758 | -0.662119 | -0.0816461 | 0.348886 | -0.233703 | -0.131976 | -0.0220262 | 4367.39 | 510.88 | 207.941 | 175.161 | 112.041 | 17.8669 | 49.6786 | 16.209 | 27.3303 | 58.0534 | 3304.6
95 | Flumazenil | 303.288 | 0 | 6 | 1.96923 | 63.91 | 353.612 | 30.359 | -3.37354 | 36 | 0 | 0 | 0 | 0 | 0 | 455.645 | 1.28571 | 15.853 | 10.5241 | 16.8438 | 6.85714 | 4.52112 | 10.5241 | 956 | 36 | 0.768914 | -0.0482194 | 0.0915434 | -0.000830906 | 0.153178 | -0.229723 | 0.286653 | -0.00814863 | -0.139051 | 0.106309 | -0.12786 | -0.0208397 | 0.0175856 | 1.15166 | -0.599325 | 0.00951476 | 0.41978 | -0.33257 | -0.0288767 | -0.354334 | 3017.98 | 645.719 | 908.634 | 746.043 | 98.2301 | 32.7902 | 26.506 | 46.8236 | 85.1413 | 4.14651 | 1954.88
95 | [NAME] | 244.261 | 1 | 2 | 3.76123 | 37.3 | 315.294 | 27.319 | -3.87099 | 31 | 0 | 0 | 0 | 0 | 1 | 286.218 | 1 | 13.121 | 8.59222 | 14.41 | 6.43787 | 5.26749 | 8.59222 | 626 | 31 | 0.449162 | 0.0781222 | -0.0158566 | 0.0672523 | -0.152045 | 0.0947375 | 0.0391483 | -0.0118571 | -0.0073682 | -0.00250853 | 0.00397942 | -0.00121728 | -0.000902133 | 0.587774 | -0.371994 | 0.13721 | -0.0624659 | 0.111233 | -0.200257 | 0.10647 | 2330.45 | 571.882 | 660.17 | 568.032 | 58.6255 | 16.9559 | 0 | 0 | 0 | 40.5548 | 1669.29
95 | Galantamine | 287.354 | 1 | 4 | 1.81761 | 41.93 | 369.254 | 31.367 | -2.58941 | 42 | 0 | 0 | 0 | 0 | 3 | 434.118 | 1.41176 | 14.6125 | 10.137 | 14.5833 | 5.27392 | 3.34711 | 10.137 | 766 | 42 | 0.6641 | -0.21025 | 0.155023 | 0.00645103 | -0.102258 | 0.00196348 | 0.00396283 | 0.000666411 | -0.00117116 | -0.00061956 | -0.000868142 | 2.56797e-05 | -1.46404e-05 | 0.616674 | -0.234184 | -0.183322 | 0.150328 | -0.00177555 | -0.0957414 | -0.0119232 | 2799.6 | 345.3 | 384.633 | 195.584 | 51.5725 | 0 | 18.9069 | 14.517 | 7.34299 | 7.21421 | 2289.51
95 | [NAME] | 309.342 | 1 | 7 | 0.869148 | 90.41 | 379.884 | 31.206 | -2.62718 | 36 | 0 | 0 | 0 | 0 | 0 | 295.141 | 1 | 15.1315 | 10.1153 | 17.3554 | 8.58502 | 8.26531 | 10.1153 | 1082 | 36 | 0.72896 | 0.0439132 | 0.00163086 | -0.000898375 | 0.0740635 | -0.14823 | 0.375685 | -0.212501 | 0.077451 | -0.194277 | 0.195869 | -0.0564471 | 0.0187767 | 1.64035 | -1.03053 | 0.441916 | -0.596553 | 0.586561 | -0.035072 | -0.337195 | 3009.87 | 827.201 | 1064.89 | 749.085 | 271.505 | 61.4235 | 77.4125 | 24.2013 | 19.2091 | 71.9166 | 1698.43
95 | Hexobarbital | 236.267 | 1 | 5 | 1.17862 | 66.48 | 324.657 | 24.266 | -2.32513 | 33 | 0 | 0 | 0 | 0 | 1 | 416.219 | 1 | 12.6294 | 7.97509 | 13.4321 | 4.93827 | 3.0625 | 7.97509 | 458 | 33 | 0.557704 | 0.333481 | -0.416261 | 0.256354 | 0.0059283 | -0.0431092 | 0.259044 | 0.00564497 | -0.111047 | -0.104461 | 0.0793492 | 0.00340797 | -0.0024165 | 1.17946 | -0.502229 | 0.357761 | -0.983725 | 0.596849 | 0.0297576 | -0.0444983 | 2574.49 | 425.032 | 392.464 | 75.8543 | 87.1081 | 92.4139 | 0 | 61.7044 | 0 | 0 | 1468
95 | Ketoprofen | 254.281 | 1 | 3 | 3.22409 | 54.37 | 343.235 | 29.331 | -3.59495 | 33 | 0 | 0 | 0 | 0 | 1 | 330.886 | 1 | 13.8281 | 9.09222 | 15.39 | 7.1358 | 5.87755 | 9.09222 | 724 | 33 | 0.514548 | 0.0317052 | 0.0217663 | 0.0598502 | 0.00377038 | -0.187518 | 0.0547163 | -0.0192989 | -0.000592447 | -0.00395591 | -0.00215725 | 0.00471252 | -0.019781 | 0.744623 | -0.435283 | 0.0894917 | 0.00965386 | 0.0551679 | 0.0352984 | -0.336584 | 2503.61 | 655.401 | 741.043 | 665.614 | 49.9432 | 16.9559 | 0 | 0 | 0 | 0 | 1785.11
95 | Ketorolac | 255.269 | 1 | 4 | 2.11796 | 59.3 | 309.368 | 28.391 | -3.04757 | 32 | 0 | 0 | 0 | 0 | 1 | 364.647 | 1.14286 | 13.4054 | 9.18154 | 13.9592 | 5.78 | 5.47919 | 9.18154 | 693 | 32 | 0.629277 | -0.034435 | -0.059604 | 0.338553 | -0.142393 | -0.263984 | 0.155222 | -0.0311521 | -0.017736 | -0.0267222 | -0.0103576 | 0.011789 | -0.0201307 | 0.802603 | -0.434942 | 0.0813241 | -0.0568709 | 0.200428 | -0.0351599 | -0.4565 | 2503.47 | 574.544 | 636.454 | 486.813 | 57.8935 | 16.9839 | 11.5918 | 27.4662 | 0 | 0 | 1826.7
95 | Levamisole | 204.292 | 0 | 2 | 2.39969 | 15.6 | 249.754 | 23.472 | -3.00472 | 26 | 0 | 0 | 0 | 0 | 1 | 230.738 | 1.14286 | 9.38047 | 6.93265 | 9.24219 | 3.86777 | 5.48097 | 6.93265 | 298 | 26 | 0.241566 | 0.0485409 | -0.0206699 | -0.0252876 | 0.0346966 | -0.0201757 | 0.122152 | -0.0289908 | -0.0308274 | -0.00167952 | 4.73136e-05 | -5.82683e-05 | 0.000409063 | 0.501246 | -0.327267 | 0.131865 | 0.0326566 | -0.100967 | 0.0150088 | -0.0210379 | 1758.92 | 333.732 | 313.756 | 230.238 | 46.99 | 29.2148 | 0 | 0 | 0 | 0 | 1404.18
95 | Lorazepam | 321.158 | 2 | 4 | 3.47875 | 61.69 | 346.988 | 33.447 | -4.79616 | 31 | 0 | 0 | 0 | 0 | 1 | 432.142 | 1.11765 | 14.9828 | 10.0586 | 15.879 | 6.62994 | 4.48753 | 10.0586 | 819 | 31 | 0.593026 | -0.0370786 | 0.256508 | -0.246162 | 0.182431 | -0.156194 | 0.149654 | -0.031612 | -0.0331074 | -0.0118425 | 0.00794034 | -0.00665619 | 0.00365765 | 0.918533 | -0.492247 | -0.0337125 | 0.21359 | -0.158828 | 0.149268 | -0.249638 | 2550.08 | 684.006 | 993.24 | 952.647 | 108.528 | 20.4752 | 38.8396 | 5.9881 | 33.689 | 46.9508 | 2374.62
95 | Methimazole | 114.17 | 1 | 2 | -0.030335 | 15.27 | 151.958 | 13.348 | -0.964835 | 13 | 0 | 0 | 0 | 0 | 0 | 110.503 | 1 | 5.27602 | 3.30453 | 5.14286 | 1.85185 | 3.84 | 3.30453 | 40 | 13 | 0.198556 | 0.0518604 | -0.0264769 | -0.0232024 | 0.0252225 | 0 | 0.404114 | -0.0312387 | -0.229681 | 0.0588628 | 2.11604e-16 | -3.64001e-32 | 0 | 0.454468 | -0.200787 | 0.0340839 | 0.0529404 | -0.138694 | 0.0252225 | 0 | 948.888 | 184.272 | 209.669 | 0 | 71.4399 | 56.809 | 0 | 0 | 0 | 0 | 551.299
95 | Metronidazole | 171.154 | 1 | 6 | -0.123114 | 83.87 | 225.486 | 15.843 | -0.748066 | 21 | 0 | 0 | 0 | 0 | 0 | 169.911 | 1 | 9.13783 | 5.6639 | 10.0833 | 4.29688 | 4 | 5.6639 | 193 | 21 | 0.476099 | -0.0848678 | 0.134437 | -0.105533 | 0.0737898 | 0.000295603 | 0.570462 | -0.325747 | 0.168436 | -0.208737 | 0.0808169 | -1.81699e-15 | -2.45625e-16 | 1.25327 | -0.639528 | 0.00487152 | -0.0701912 | 0.0997479 | -0.0501509 | 0.169403 | 1952.55 | 450.663 | 355.925 | 88.7978 | 48.0732 | 16.7577 | 34.3564 | 9.57676 | 4.47777 | 22.7075 | 688.905
95 | Nicardipine | 493.552 | 1 | 9 | 4.8371 | 113.69 | 672.071 | 52.712 | -6.42883 | 67 | 0 | 1 | 0 | 1 | 0 | 793.801 | 1 | 26.405 | 17.1163 | 30.5402 | 14.4037 | 10.9589 | 17.1163 | 4046 | 67 | 0.92567 | 0.0201597 | 0.0246907 | -0.0846722 | -0.2282 | 0.0103217 | 0.582246 | -0.294817 | 0.0188155 | 0.0771202 | -0.216939 | 0.032094 | 0.124977 | 1.93607 | -1.09033 | 0.345078 | 0.108337 | -0.965881 | 0.614903 | -0.25229 | 5185.93 | 1125.89 | 1241.1 | 1579.3 | 124.692 | 47.6051 | 7.98772 | 0 | 67.0144 | 70.0585 | 3340.09
95 | Nitrazepam | 281.266 | 1 | 6 | 2.05273 | 87.28 | 332.206 | 30.931 | -3.70944 | 32 | 0 | 0 | 0 | 0 | 0 | 445.867 | 1.11765 | 14.8196 | 10.1479 | 15.879 | 7.05078 | 5 | 10.1479 | 857 | 32 | 0.420449 | -0.0305115 | 0.127382 | -0.132368 | -0.0361804 | 0.14842 | 0.580109 | -0.333262 | 0.084485 | -0.0820261 | 0.138616 | -0.12447 | 0.0982032 | 1.4659 | -0.800105 | 0.0276239 | 0.179737 | 0.105757 | -0.614712 | 0.72174 | 2828.13 | 893.582 | 1084.36 | 1111.09 | 63.7916 | 29.3512 | 8.39111 | 0 | 0 | 44.3989 | 2138.92
95 | Nitrofurantoin | 238.157 | 1 | 9 | -0.0949827 | 120.73 | 262.447 | 19.833 | -1.68199 | 23 | 0 | 0 | 0 | 0 | 0 | 384.347 | 1 | 12.4138 | 8.05855 | 13.4321 | 5.76 | 7.84 | 8.05855 | 580 | 23 | 0.773846 | 0.0820056 | -0.00688412 | 0.168446 | -0.331663 | 0.157996 | 0.695276 | -0.321003 | 0.0335114 | -0.166222 | 0.132714 | -0.077038 | 0.16179 | 1.98017 | -0.915673 | -0.147744 | 0.0260925 | 0.314239 | -0.552147 | 0.353296 | 2637.52 | 765.41 | 721.395 | 445.083 | 133.233 | 89.8563 | 80.5659 | 43.314 | 0 | 53.2472 | 856.28
95 | Nizatidine | 331.46 | 2 | 7 | 1.1556 | 86.01 | 455.011 | 34.552 | -2.7292 | 42 | 0 | 0 | 0 | 0 | 0 | 338.672 | 1 | 15.6649 | 10.0072 | 19.0476 | 10.6805 | 13.3884 | 10.0072 | 1227 | 42 | 0.529989 | -0.112238 | -0.0688183 | 0.242151 | -0.142189 | 0.0335474 | 0.604169 | -0.466812 | 0.261046 | 0.0382905 | -0.134608 | -0.00140406 | -0.0158001 | 1.36025 | -0.957766 | 0.490055 | -0.447099 | 0.570619 | -0.212006 | -0.131012 | 3231.23 | 565.762 | 384.503 | 62.6009 | 119.86 | 36.2952 | 42.2341 | 81.6151 | 20.6632 | 15.4351 | 1829.89
95 | Pefloxacin | 333.358 | 1 | 6 | 2.45961 | 64.09 | 411.282 | 34.99 | -3.80122 | 44 | 0 | 0 | 0 | 0 | 0 | 527.552 | 1.125 | 17.4304 | 11.4179 | 18.7811 | 7.70914 | 5.49703 | 11.4179 | 1277 | 44 | 0.823838 | -0.0739123 | -0.268508 | 0.379517 | -0.0676267 | -0.0786841 | 0.257785 | -0.0254623 | 0.0441144 | -0.117101 | 0.0127022 | -0.0230083 | -0.00164282 | 1.17008 | -0.608027 | 0.408358 | -0.708635 | 0.503691 | -0.176916 | 0.0895674 | 3363.49 | 575.94 | 830.54 | 515.809 | 112.402 | 13.8499 | 25.0562 | 101.128 | 41.011 | 17.586 | 2370.68
95 | Pentazocine | 285.424 | 1 | 2 | 3.71202 | 23.47 | 431.845 | 34.537 | -3.74719 | 48 | 0 | 0 | 0 | 0 | 3 | 398.057 | 1.38462 | 15.1983 | 9.91454 | 15.879 | 5.89388 | 4.26036 | 9.91454 | 870 | 48 | 0.365726 | 0.0131283 | -0.0641582 | 0.0214178 | 0.030002 | -0.128543 | 0.00486844 | -0.00122934 | -0.000423372 | -0.000274048 | -0.000507463 | 0.000366654 | -0.00048651 | 0.349056 | -0.161941 | 0.0521342 | -0.0820636 | 0.0133015 | 0.0373579 | -0.124126 | 2919.75 | 292.969 | 264.05 | 47.944 | 20.296 | 0 | 0 | 0 | 0 | 0 | 2456.67
95 | Pentoxifylline | 278.307 | 0 | 7 | 0.0841277 | 75.51 | 373.207 | 29.056 | -1.77442 | 38 | 0 | 0 | 0 | 0 | 0 | 425.839 | 1.22222 | 14.8614 | 9.43043 | 16.3719 | 6.84 | 5.37891 | 9.43043 | 834 | 38 | 0.709061 | 0.16389 | -0.0651134 | 0.0739638 | -0.0599578 | 0.115783 | 0.400378 | -0.0466478 | -0.170183 | -0.0690827 | 0.19615 | -0.0981141 | 0.00219231 | 1.34442 | -0.665116 | 0.347219 | -0.759638 | 0.642796 | -0.0774605 | 0.0692661 | 3033.03 | 516.72 | 537.627 | 98.185 | 100.296 | 79.2211 | 43.6292 | 33.0286 | 7.56359 | 23.244 | 1650.29
95 | Perindopril | 368.468 | 2 | 7 | 2.45102 | 95.94 | 551.799 | 38.451 | -3.0556 | 58 | 0 | 0 | 0 | 0 | 5 | 518.223 | 1.22222 | 19.2672 | 12.4003 | 22.2908 | 10.5186 | 7.88102 | 12.4003 | 1665 | 58 | 0.978025 | -0.0218107 | 0.573654 | -0.51056 | -0.141081 | 0.538642 | 0.14008 | -0.0343165 | -0.0247514 | 0.000414541 | -0.0223866 | -0.000359622 | 0.0113594 | 1.43702 | -0.874486 | 0.0359977 | 0.650311 | -0.679976 | -0.169031 | 0.693082 | 4098.87 | 443.707 | 197.825 | 307.662 | 101.575 | 47.7738 | 62.152 | 0 | 25.4641 | 76.138 | 2321.97
95 | Phenylpropanolamine | 151.206 | 3 | 2 | 1.0109 | 46.25 | 235.385 | 17.927 | -1.26373 | 24 | 0 | 0 | 0 | 0 | 2 | 110.13 | 1 | 8.26758 | 5.21521 | 9.09091 | 4.13265 | 3.78698 | 5.21521 | 156 | 24 | 0.368943 | -0.0423013 | 0.157006 | -0.13242 | 0.0251758 | -0.0233665 | 2.41841e-05 | -4.04481e-06 | -2.50977e-06 | -5.53749e-06 | 1.12929e-18 | 3.82178e-18 | 1.91337e-18 | 0.368611 | -0.197981 | -0.0409209 | 0.157198 | -0.134276 | 0.0250887 | -0.0231312 | 1533.88 | 201.448 | 206.657 | 35.3935 | 13.285 | 0 | 4.96191 | 0 | 0 | 0 | 857.522
95 | Practolol | 266.336 | 3 | 5 | 1.0206 | 70.59 | 404.257 | 29.846 | -1.83956 | 41 | 0 | 0 | 0 | 0 | 1 | 258.355 | 1 | 14.2507 | 8.96923 | 17.0526 | 9.03125 | 10.449 | 8.96923 | 890 | 41 | 0.709536 | 0.0500262 | 0.0142847 | -0.143032 | 0.22544 | -0.202403 | 0.0831379 | -0.000862744 | -0.0436782 | -0.0173101 | 0.00856896 | 0.0147598 | 0.0040552 | 0.838873 | -0.410005 | 0.0597253 | -0.0423038 | -0.0944912 | 0.187118 | -0.235259 | 2826.77 | 364.574 | 379.716 | 198.762 | 67.0423 | 15.6004 | 19.5747 | 6.90546 | 21.7229 | 0 | 1465.27
95 | Promethazine | 284.42 | 0 | 2 | 4.37104 | 6.48 | 386.039 | 35.111 | -4.77662 | 40 | 0 | 0 | 0 | 0 | 1 | 298.112 | 1.28571 | 14.1125 | 9.6647 | 14.9174 | 6.40583 | 5.05785 | 9.6647 | 744 | 40 | 0.253711 | -0.124823 | 0.126066 | -0.0623717 | -0.0670114 | 0.103294 | 0.028316 | 0.00253726 | -0.0123206 | -0.00460631 | -0.00288715 | 0.000299636 | 0.0027299 | 0.211266 | -0.0421915 | -0.0965394 | 0.0473547 | -0.0574319 | 0.028766 | 0.0946392 | 2577.36 | 424.041 | 662.403 | 333.774 | 55.8492 | 0 | 33.9255 | 0 | 0 | 9.20428 | 2547.56
95 | Propafenone | 341.444 | 2 | 4 | 3.20114 | 58.56 | 500.357 | 39.32 | -3.71654 | 52 | 0 | 1 | 0 | 1 | 1 | 368.153 | 1 | 17.9076 | 12.2027 | 21.3018 | 12.3984 | 11.3438 | 12.2027 | 1786 | 52 | 0.664014 | -0.194822 | 0.14036 | -0.0162627 | -0.0143996 | -0.0528962 | 0.0194896 | -0.0103075 | 0.00777954 | -0.00560657 | -0.000274576 | -0.00109561 | -0.000337123 | 0.733797 | -0.301516 | -0.131231 | 0.0622688 | 0.0134518 | 0.0274611 | -0.107906 | 3469.77 | 551.994 | 567.036 | 389.654 | 48.5828 | 0 | 19.7141 | 24.4367 | 0 | 0 | 2100.31
95 | Propranolol | 259.343 | 2 | 3 | 3.04047 | 41.49 | 379.118 | 31.339 | -3.17433 | 40 | 0 | 0 | 0 | 0 | 1 | 257.133 | 1.2 | 13.6649 | 9.1647 | 15.39 | 7.69527 | 7.3728 | 9.1647 | 792 | 40 | 0.531876 | -0.140206 | 0.178148 | -0.0665283 | -0.0296713 | -0.0128168 | 0.00434564 | -0.000639317 | 4.54503e-05 | -0.000895804 | -0.000688214 | 5.06272e-06 | -6.7348e-17 | 0.515102 | -0.22719 | -0.108899 | 0.154451 | -0.0756319 | -0.0088911 | -0.017735 | 2593.85 | 367.89 | 505.805 | 143.704 | 32.6996 | 0 | 19.7574 | 6.99361 | 0 | 0 | 1795.11
95 | Protriptyline | 263.377 | 1 | 1 | 4.68999 | 12.03 | 376.509 | 34.412 | -4.87553 | 41 | 0 | 0 | 0 | 0 | 0 | 295.728 | 1.26667 | 13.7862 | 9.89818 | 14.9174 | 7.31986 | 4.76471 | 9.89818 | 759 | 41 | 0.197357 | -0.0719225 | 0.0203409 | -0.0206822 | 0.00443397 | 0.0242195 | 2.24227e-05 | 8.20435e-06 | -8.11411e-06 | -1.42507e-06 | -9.10374e-06 | -1.06314e-05 | 5.36011e-06 | 0.196891 | -0.0401603 | -0.0711408 | 0.019982 | -0.0211479 | 0.00485454 | 0.0236856 | 2533.05 | 441.42 | 595.334 | 425.193 | 2.3774 | 0 | 0 | 0 | 0 | 0 | 2466.5
95 | Ritodrine | 287.354 | 4 | 4 | 2.4508 | 72.72 | 400.409 | 32.531 | -3.2356 | 42 | 0 | 0 | 0 | 0 | 2 | 283.76 | 1 | 15.2423 | 10.0586 | 17.3554 | 8.58502 | 8.26531 | 10.0586 | 1114 | 42 | 0.796773 | 0.0109466 | 0.122624 | -0.136338 | -0.0564298 | 0.0457582 | 0.00715917 | -0.00129148 | -0.000444673 | -0.000635685 | -0.00120774 | 3.45645e-17 | 0.000254922 | 0.760895 | -0.437631 | 0.0634256 | 0.0891445 | -0.115235 | -0.0493645 | 0.016355 | 2821.27 | 467.954 | 527.74 | 53.7646 | 48.3226 | 0 | 5.31812 | 0 | 0 | 13.8555 | 1787.26
95 | Sotalol | 272.365 | 3 | 5 | 1.07943 | 78.43 | 379.579 | 29.183 | -2.39896 | 38 | 0 | 0 | 0 | 0 | 1 | 243.477 | 1 | 13.7591 | 8.27668 | 16.0556 | 6.9632 | 8.70748 | 8.27668 | 706 | 38 | 0.551485 | 0.144627 | -0.0740178 | -0.035475 | 0.0203015 | 0.0129884 | 0.293506 | -0.154594 | 0.0235692 | -0.047941 | 0.0356025 | -0.0180102 | 0.0146208 | 1.19006 | -0.805853 | 0.460254 | -0.332381 | 0.109352 | 0.0189397 | -0.000648152 | 2784.1 | 507.905 | 445.209 | 279.889 | 234.476 | 43.0828 | 5.30282 | 0 | 0 | 14.0531 | 1611.03
95 | Sulfisoxazole | 267.305 | 3 | 6 | 0.912879 | 98.22 | 316.045 | 27.442 | -3.06822 | 31 | 0 | 0 | 0 | 0 | 0 | 284.707 | 1 | 13.3365 | 8.39868 | 14.41 | 5.55102 | 5.68047 | 8.39868 | 614 | 31 | 0.548009 | 0.245994 | -0.16548 | -0.0443639 | -0.0429969 | 0.314435 | 0.425907 | -0.21467 | 0.0544428 | -0.0879545 | -0.041758 | 0.107421 | -0.0300139 | 1.26049 | -0.854308 | 0.598169 | -0.592291 | 0.131902 | -0.0735229 | 0.545361 | 2663.77 | 668.551 | 858.25 | 569.088 | 295.604 | 73.7412 | 97.8586 | 76.9458 | 67.077 | 42.1482 | 1624.52
95 | Tacrine | 198.264 | 2 | 2 | 2.20533 | 38.91 | 252.395 | 25.038 | -2.9914 | 29 | 0 | 0 | 0 | 0 | 0 | 228.576 | 1.28571 | 10.2507 | 7.36017 | 10.173 | 4.10764 | 3.2256 | 7.36017 | 326 | 29 | 0.244457 | 0.0106044 | -0.0016764 | 0.089023 | -0.121369 | -0.00243716 | 0.0509916 | -0.0189241 | 0.0207396 | -0.0147396 | -0.0124309 | -0.000140721 | -6.36472e-17 | 0.326838 | -0.197441 | 0.124461 | -0.0961313 | 0.129509 | -0.174105 | 0.0110506 | 1895.01 | 359.835 | 518.583 | 84.5226 | 16.3773 | 0 | 0 | 5.45847 | 0 | 0 | 1675.79
95 | Temazepam | 300.739 | 1 | 4 | 2.99688 | 52.9 | 354.41 | 33.354 | -4.10967 | 34 | 0 | 0 | 0 | 0 | 1 | 428.36 | 1.11765 | 14.9828 | 10.0754 | 15.879 | 6.62994 | 4.26036 | 10.0754 | 814 | 34 | 0.559807 | -0.105944 | 0.313513 | -0.253865 | 0.147077 | -0.105659 | 0.148454 | -0.0306527 | -0.0341245 | -0.0129621 | 0.0111165 | -0.00702443 | 0.00137494 | 0.887365 | -0.464127 | -0.124351 | 0.38062 | -0.239503 | 0.093288 | -0.156286 | 2623.74 | 650.098 | 930.914 | 885.628 | 80.2215 | 20.7526 | 39.2568 | 0 | 34.1187 | 0 | 2382.89
95 | Timolol | 316.421 | 2 | 7 | 1.30908 | 79.74 | 441.975 | 32.688 | -2.27075 | 45 | 0 | 0 | 0 | 0 | 1 | 310.282 | 1 | 15.2947 | 9.95531 | 17.3554 | 8.02222 | 10.368 | 9.95531 | 1063 | 45 | 0.840656 | -0.247021 | 0.356917 | -0.139143 | -0.142599 | 0.202166 | 0.106789 | -0.0309978 | -0.00767731 | -0.0147193 | 6.1437e-16 | 7.88358e-16 | -1.68507e-17 | 1.07288 | -0.562061 | -0.161069 | 0.400664 | -0.247638 | -0.147058 | 0.248901 | 3155.56 | 277.849 | 312.102 | 102.641 | 131.46 | 20.5608 | 136.347 | 7.40698 | 13.0407 | 98.1632 | 1695.16
95 | Tropisetron | 284.353 | 1 | 4 | 3.04679 | 45.33 | 359.558 | 32.744 | -3.8419 | 41 | 0 | 0 | 0 | 0 | 2 | 399.594 | 1.29412 | 14.397 | 10.2203 | 14.5833 | 5.89388 | 5.95041 | 10.2203 | 944 | 41 | 0.577747 | 0.00638404 | -0.184919 | 0.314268 | -0.172457 | 0.0518168 | 0.144975 | -0.0126716 | -0.028584 | 0.0121137 | -0.0533419 | 0.00748043 | 0.00251576 | 0.678902 | -0.392496 | 0.216683 | -0.218942 | 0.164106 | -0.198398 | 0.174836 | 2837.17 | 396.936 | 538.38 | 202.365 | 44.841 | 14.6102 | 0 | 32.7221 | 0 | 5.18763 | 2138.57
95 | Venlafaxine | 276.394 | 0 | 3 | 2.8408 | 35.53 | 451.644 | 32.083 | -2.76789 | 46 | 0 | 0 | 0 | 0 | 1 | 278.715 | 1 | 14.5876 | 9.54866 | 16.3719 | 7.31986 | 6.12 | 9.54866 | 792 | 46 | 1.06136 | -0.00635279 | 0.0287664 | 0.2783 | -0.112367 | -0.483566 | 0.00342787 | -0.000558269 | -0.000394791 | -0.000252463 | -0.000508412 | 5.43174e-16 | -2.88333e-16 | 1.04446 | 0.0356148 | 0.0193432 | 0.0427715 | 0.27181 | -0.0560913 | -0.513423 | 2719.91 | 230.929 | 255.675 | 20.6168 | 21.1788 | 0 | 0 | 0.469633 | 0 | 0 | 1964.8
95 | [NAME] | 307.39 | 0 | 4 | 2.26278 | 37.61 | 415.953 | 37.227 | -3.65146 | 44 | 0 | 0 | 0 | 0 | 0 | 416.838 | 1.13333 | 16.5601 | 10.9524 | 17.8112 | 7.48611 | 6.79012 | 10.9524 | 1137 | 44 | 0.431039 | 0.0339165 | -0.0772664 | 0.011181 | 0.0809554 | -0.0116464 | 0.310576 | -0.0218378 | -0.143932 | 0.0462167 | -0.0547211 | 0.00838614 | 0.011529 | 0.706338 | -0.286186 | 0.015915 | 0.112732 | -0.351098 | 0.118742 | 0.154485 | 3067.26 | 576.399 | 746.599 | 788.423 | 44.1405 | 16.7559 | 0 | 29.3802 | 7.30446 | 0 | 2454.01
96 | Bumetanide | 364.417 | 4 | 7 | 2.59419 | 118.72 | 454.822 | 38.456 | -4.54766 | 45 | 0 | 0 | 0 | 0 | 0 | 431.261 | 1 | 18.4494 | 11.8247 | 21.3018 | 9.7963 | 8.48503 | 11.8247 | 1446 | 45 | 0.916821 | 0.23849 | -0.0124043 | -0.181007 | -0.0898394 | 0.534422 | 0.367291 | -0.232502 | 0.0521728 | 0.0308862 | 0.0559757 | -0.167344 | 0.0812349 | 1.7081 | -1.2813 | 0.753021 | -0.264434 | -0.0197335 | -0.62591 | 1.12817 | 3628.75 | 901.386 | 1162.92 | 1272.17 | 298.38 | 50.5887 | 90.2809 | 103.125 | 178.552 | 124.15 | 2459.94
96 | Clofibrate | 242.698 | 0 | 3 | 3.31982 | 35.53 | 347.04 | 24.732 | -3.33047 | 31 | 0 | 0 | 0 | 0 | 0 | 227.469 | 1 | 12.1818 | 7.45353 | 14.0625 | 6.07438 | 5.77778 | 7.45353 | 468 | 31 | 0.506721 | -0.0428171 | 0.250897 | -0.242106 | 0.104441 | -0.00999252 | 0.0405887 | -0.011573 | -0.00383975 | -0.00285434 | -0.00750996 | 0.0048603 | -0.00136526 | 0.630705 | -0.374065 | -0.0342148 | 0.308867 | -0.29338 | 0.12018 | 0.00483392 | 2309.38 | 424.922 | 424.353 | 278.281 | 85.5806 | 17.8732 | 38.1409 | 0 | 24.0242 | 0 | 1178.29
96 | Gatifloxacin | 375.394 | 2 | 7 | 2.67985 | 82.11 | 448.051 | 38.523 | -4.2891 | 49 | 0 | 0 | 0 | 0 | 1 | 634.621 | 1.10526 | 19.2922 | 12.9179 | 20.28 | 9.21202 | 5.75779 | 12.9179 | 1627 | 49 | 1.02938 | -0.173111 | -0.0861273 | 0.270347 | -0.124194 | 0.00589535 | 0.250992 | -0.0266289 | 0.0418137 | -0.0956205 | -0.00323293 | -0.0164898 | -0.00541906 | 1.34023 | -0.652649 | 0.278921 | -0.564065 | 0.293583 | -0.0194435 | 0.147893 | 3748.46 | 616.973 | 901.326 | 588.59 | 132.469 | 13.8452 | 67.1902 | 124.325 | 52.5212 | 24.1198 | 2719.92
96 | Metoprolol | 267.364 | 2 | 4 | 1.64343 | 50.72 | 424.824 | 30.211 | -1.81944 | 44 | 0 | 0 | 0 | 0 | 1 | 215.436 | 1 | 14.0876 | 9.11339 | 17.0526 | 9.83365 | 10.449 | 9.11339 | 906 | 44 | 0.668428 | -0.183877 | 0.138426 | -0.0722154 | 0.073839 | -0.120589 | 0.00348001 | -0.000626756 | -0.000269877 | -0.000276573 | -0.000566797 | 9.83056e-17 | -2.00749e-16 | 0.652083 | -0.248199 | -0.157985 | 0.128695 | -0.0933837 | 0.107691 | -0.12699 | 2820.1 | 253.422 | 256.051 | 81.0235 | 43.6947 | 0 | 19.6326 | 6.93342 | 0 | 0 | 1441.55
96 | Minoxidil | 209.248 | 4 | 6 | 1.33739 | 95.11 | 273.915 | 22.545 | -2.83885 | 30 | 0 | 0 | 0 | 0 | 0 | 208.679 | 1 | 10.8365 | 7.18154 | 11.4844 | 4.88843 | 4.16529 | 7.18154 | 358 | 30 | 0.510959 | 0.314576 | -0.364335 | 0.433124 | -0.310679 | 0.0481544 | 1.05079 | -0.241652 | -0.293231 | 0.184355 | -0.0823192 | -0.0925466 | 2.09951e-15 | 1.78969 | -0.705196 | -0.183154 | 0.440202 | -0.364411 | -0.0979505 | 0.0839225 | 2277.63 | 436.888 | 537.749 | 0.714299 | 53.9507 | 11.9422 | -0.260923 | 57.8271 | -0.110725 | 0 | 1206.7
96 | Progesterone | 314.462 | 0 | 2 | 3.46646 | 34.14 | 471.646 | 36.193 | -4.06531 | 53 | 0 | 0 | 0 | 0 | 6 | 564.679 | 1.35294 | 16.4054 | 10.8598 | 16.4675 | 5.5 | 3.81944 | 10.8598 | 1052 | 53 | 0.253467 | 0.0147654 | -0.0452638 | -0.00627105 | -0.0148158 | 0.022459 | 0.0281141 | -0.0133085 | 0.00576746 | -0.00651597 | 3.23856e-16 | -5.10327e-16 | 1.03335e-15 | 0.40864 | -0.173475 | 0.0408277 | -0.0761296 | 0.00757591 | -0.0110442 | 0.0163512 | 3330 | 309.073 | 86.0438 | 0 | 33.9296 | 0 | 0 | 0 | 0 | 0 | 2947.96
96 | Torsemide | 348.421 | 3 | 7 | 2.14578 | 100.19 | 449.09 | 38.439 | -4.40795 | 44 | 0 | 0 | 0 | 0 | 0 | 422.127 | 1 | 17.7423 | 11.2757 | 20.3136 | 9.08735 | 8.79239 | 11.2757 | 1387 | 44 | 0.67758 | 0.406813 | -0.70938 | 0.761832 | -0.60205 | 0.496918 | 0.509317 | -0.218067 | 0.0816273 | -0.21775 | 0.154893 | -0.105877 | 0.0673713 | 1.75488 | -1.12057 | 1.0724 | -1.93487 | 1.7821 | -1.18679 | 0.945891 | 3497.21 | 860.536 | 1101.33 | 950.952 | 284.654 | 83.6492 | 174.976 | 124.543 | 0 | 39.8616 | 2485.08
96 | Trapidil | 205.26 | 0 | 5 | 1.43451 | 46.32 | 286.242 | 23.684 | -2.17013 | 30 | 0 | 0 | 0 | 0 | 0 | 205.989 | 1.22222 | 10.8365 | 7.25755 | 11.4844 | 4.88843 | 4.16529 | 7.25755 | 338 | 30 | 0.349042 | 0.173216 | -0.180535 | 0.137314 | -0.0954992 | 0.024129 | 0.410202 | -0.113393 | -0.040332 | 0.000579108 | -0.0519547 | 1.36131e-15 | 1.12713e-15 | 0.931088 | -0.589639 | 0.232246 | -0.168068 | 0.21039 | -0.0561532 | -0.0378441 | 2169.81 | 355.42 | 504.452 | 0 | 38.3783 | 28.786 | 7.71413 | 10.251 | 0 | 0 | 1296.78
97 | Cotinine | 176.215 | 0 | 3 | 0.357388 | 33.2 | 243.982 | 19.689 | -1.26624 | 25 | 0 | 0 | 0 | 0 | 1 | 205.101 | 1 | 9.25915 | 6.28769 | 9.55102 | 4.02216 | 4.15225 | 6.28769 | 238 | 25 | 0.291513 | 0.01595 | 0.00260049 | -0.0137938 | -0.0425388 | 0.0203641 | 0.0837106 | -0.0219344 | -0.0165425 | 0.00351103 | -0.00307537 | -0.0234652 | 0.0289846 | 0.537879 | -0.255381 | 0.0476402 | -0.00118096 | -0.0312276 | -0.120093 | 0.122441 | 1795.59 | 350.739 | 280.688 | 205.081 | 29.6298 | 12.7206 | 0 | 7.11592 | 0 | 5.18239 | 1049.9
97 | [NAME] | 484.628 | 0 | 7 | 4.56701 | 73.18 | 748.876 | 54.007 | -5.16329 | 75 | 0 | 1 | 0 | 1 | 1 | 638.504 | 1 | 26.0099 | 16.7911 | 31.2191 | 15.4211 | 9.67111 | 16.7911 | 4236 | 75 | 1.05013 | -0.57475 | 0.527664 | 0.119694 | -0.641852 | 0.335581 | 0.170659 | -0.0793305 | -0.00556548 | -0.0186096 | 0.0191914 | 0.0120344 | -0.0032384 | 1.23298 | -0.405165 | -0.535668 | 0.451087 | 0.350316 | -1.01171 | 0.480277 | 5101.17 | 688.511 | 764.368 | 265.756 | 101.219 | 0 | 55.8422 | 18.5948 | 0 | 31.1947 | 3262.1
97 | Gliclazide | 323.412 | 2 | 6 | 2.31313 | 78.51 | 401.795 | 34.066 | -4.1147 | 43 | 0 | 0 | 0 | 0 | 2 | 395.278 | 1.14286 | 15.7423 | 10.4375 | 16.8438 | 6.85714 | 8.44444 | 10.4375 | 1154 | 43 | 0.539839 | 0.202987 | -0.252226 | 0.118267 | -0.00943397 | 0.145655 | 0.495964 | -0.175188 | -0.020895 | -0.15327 | 0.128369 | -0.0262712 | 0.00184188 | 1.57237 | -0.935898 | 0.558192 | -0.872068 | 0.520009 | -0.0473601 | 0.262575 | 3285.27 | 633.636 | 775.168 | 386.174 | 281.64 | 87.2583 | 121.721 | 99.8991 | 25.3173 | 0 | 2139.8
97 | Oxazepam | 286.713 | 2 | 4 | 2.85678 | 61.69 | 325.586 | 31.519 | -4.11202 | 31 | 0 | 0 | 0 | 0 | 1 | 401.119 | 1.11765 | 14.1125 | 9.64787 | 14.9174 | 6.40583 | 4.49633 | 9.64787 | 727 | 31 | 0.579586 | -0.0413083 | 0.274732 | -0.308467 | 0.25381 | -0.183295 | 0.148645 | -0.0306614 | -0.0341062 | -0.0131595 | 0.0111888 | -0.00702585 | 0.00140275 | 0.903008 | -0.479349 | -0.0582285 | 0.289837 | -0.272403 | 0.203283 | -0.221549 | 2455.56 | 649.34 | 929.622 | 884.341 | 79.4426 | 20.5013 | 38.901 | 0 | 33.7285 | 0 | 2193.9
97 | Risperidone | 410.485 | 0 | 6 | 2.42552 | 61.94 | 502.707 | 43.669 | -4.60943 | 57 | 0 | 0 | 0 | 0 | 0 | 699.61 | 1.16 | 20.6646 | 14.5974 | 21.8253 | 9.46939 | 8.13841 | 14.5974 | 2793 | 57 | 0.599483 | 0.0630261 | -0.203727 | 0.0264322 | 0.10971 | 0.0194912 | 0.31888 | -0.0464428 | -0.0713909 | -0.101551 | 0.0622671 | -0.00232254 | -6.56153e-16 | 1.08683 | -0.462262 | 0.198636 | -0.472887 | 0.117336 | 0.204001 | -0.0621404 | 4114.25 | 614.382 | 753.287 | 138.765 | 115.418 | 20.4632 | 0 | 31.2532 | 36.1196 | 9.76266 | 2838.1
98 | Antipyrine | 188.226 | 0 | 3 | 1.08295 | 23.55 | 255.97 | 22.227 | -2.1665 | 26 | 0 | 0 | 0 | 0 | 0 | 251.197 | 1 | 10.1294 | 6.69838 | 10.5156 | 4.2449 | 3.96 | 6.69838 | 284 | 26 | 0.253778 | -0.018567 | -0.0393915 | 0.0681248 | -0.0452819 | -0.016462 | 0.476342 | 0.110464 | -0.190975 | -0.195112 | 0.0334148 | -0.0125023 | 0.0165396 | 0.742199 | -0.189839 | 0.0243439 | -0.243993 | 0.206466 | -0.128003 | -0.0145507 | 1895.12 | 414.965 | 597.489 | 243.218 | 122.207 | 8.88208 | 8.07981 | 0 | 0 | 0 | 1259.78
98 | Chlorpromazine | 318.865 | 0 | 2 | 4.86496 | 6.48 | 403.256 | 37.039 | -5.39704 | 40 | 0 | 0 | 0 | 0 | 0 | 338.752 | 1.28571 | 14.8196 | 10.1479 | 15.879 | 7.05078 | 5.95041 | 10.1479 | 896 | 40 | 0.264869 | -0.0994558 | 0.004932 | 0.047493 | -0.0145275 | -0.0591697 | 0.0298715 | 0.00268287 | -0.0136456 | -0.0054577 | -0.00158187 | 0.000984234 | 0.0024039 | 0.216525 | -0.0552891 | -0.0646912 | -0.00556654 | 0.0185467 | -0.0289482 | 0.00817065 | 2669.84 | 458.594 | 724.195 | 387.643 | 84.561 | 0 | 26.1689 | 32.8179 | 29.9235 | 0 | 2635.84
98 | Cisapride | 465.945 | 3 | 7 | 3.2711 | 86.05 | 599.963 | 47.644 | -5.13211 | 61 | 0 | 0 | 0 | 0 | 2 | 581.445 | 1 | 23.0872 | 15.4054 | 26.6021 | 13.1853 | 10.8705 | 15.4054 | 3560 | 61 | 1.06141 | -0.107459 | 0.0192991 | 0.042519 | -0.0982823 | 0.112692 | 0.103795 | -0.0276031 | -0.00790983 | -0.0174958 | 0.0142441 | -0.000136572 | -0.0129963 | 1.1601 | -0.575547 | 0.117816 | -0.188631 | 0.107851 | -0.0950225 | 0.159904 | 4426.6 | 666.965 | 841.62 | 304.432 | 142.033 | 11.186 | 39.2151 | 59.491 | 90.4032 | 29.7739 | 2747.15
98 | Cyproterone_acetate | 416.937 | 0 | 4 | 3.09764 | 60.44 | 555.83 | 43.383 | -4.35614 | 58 | 0 | 0 | 0 | 0 | 8 | 857.233 | 1.44444 | 20.9304 | 13.559 | 20.8779 | 7.26664 | 4.21653 | 13.559 | 1908 | 58 | 0.579028 | 0.0417625 | 0.15296 | -0.305091 | 0.256915 | -0.161047 | 0.0670606 | -0.0260543 | 0.00301741 | -0.00180524 | -0.0140595 | 0.00885062 | 8.1713e-05 | 0.888852 | -0.486166 | 0.0862439 | 0.162513 | -0.423065 | 0.386348 | -0.17893 | 4053.74 | 566.715 | 321.494 | 259.062 | 100.033 | 18.1574 | 21.0501 | 0 | 36.8022 | 0 | 3637.59
98 | Glibornuride | 366.476 | 3 | 6 | 3.24765 | 95.5 | 491.115 | 38.857 | -4.74028 | 51 | 0 | 0 | 0 | 0 | 4 | 533.169 | 1.23077 | 18.621 | 11.4878 | 19.7531 | 6.55785 | 5.7363 | 11.4878 | 1519 | 51 | 0.696665 | 0.357029 | -0.208713 | -0.036985 | 0.0845321 | 0.0040156 | 0.44584 | -0.184743 | 0.0206432 | -0.164037 | 0.112321 | -0.00623767 | 0.00232062 | 1.70589 | -1.11801 | 0.791765 | -0.976609 | 0.428492 | 0.115768 | -0.118839 | 3739.74 | 633.263 | 751.904 | 346.828 | 270.527 | 84.3261 | 101.583 | 44.7353 | 22.8273 | 45.4869 | 2717.54
98 | Glyburide | 494.004 | 3 | 8 | 4.37703 | 113.6 | 614.737 | 50.947 | -6.79433 | 61 | 0 | 0 | 0 | 0 | 0 | 641.586 | 1 | 23.8467 | 15.78 | 27.5853 | 13.3472 | 11.995 | 15.78 | 3998 | 61 | 0.923852 | 0.430028 | -0.484617 | 0.287212 | 0.0232931 | -0.0682687 | 0.518855 | -0.201576 | 0.0102512 | -0.169232 | 0.110329 | -0.0075683 | -0.000565351 | 2.08171 | -1.32311 | 0.949211 | -1.32214 | 0.838148 | -0.0858496 | 0.0187565 | 4756.53 | 1004.17 | 1244.7 | 673.32 | 331.703 | 95.9806 | 87.8665 | 74.706 | 60.4048 | 0 | 3128
98 | Ibuprofen | 206.281 | 1 | 2 | 3.64579 | 37.3 | 330.388 | 24.002 | -3.11932 | 33 | 0 | 0 | 0 | 0 | 1 | 202.581 | 1 | 11.4223 | 7.00291 | 13.0667 | 5.915 | 5.58449 | 7.00291 | 404 | 33 | 0.386295 | 0.0944267 | -0.0472901 | 0.0245895 | -0.0019365 | -0.0515191 | 0.0380033 | -0.0117087 | -0.00776548 | 0.000730883 | -0.000654814 | 0.00103929 | -0.000642825 | 0.528257 | -0.339153 | 0.144387 | -0.0806696 | 0.0274628 | 0.00985374 | -0.0661654 | 2202.01 | 347.151 | 281.457 | 206.312 | 34.6299 | 16.9558 | 0 | 0 | 0 | 0 | 1275.99
98 | Imatinib | 479.576 | 3 | 8 | 2.86261 | 95.07 | 605.628 | 57.276 | -5.85557 | 65 | 0 | 0 | 0 | 0 | 0 | 678.809 | 1 | 24.7441 | 17.6362 | 27.5625 | 13.8752 | 13.0823 | 17.6362 | 4887 | 65 | 0.803704 | 0.147719 | -0.127048 | 0.140098 | -0.282858 | 0.290228 | 0.208321 | -0.065893 | -0.0255702 | -0.075079 | 0.129536 | -0.0562975 | -0.0194005 | 1.27531 | -0.737231 | 0.394272 | -0.558636 | 0.521459 | -0.482587 | 0.464503 | 4624.84 | 1014.07 | 1430.49 | 1309.04 | 70.8627 | 34.0142 | 2.69616 | 26.5833 | 0 | 42.3159 | 3749.25
98 | Isoxepac | 268.264 | 1 | 4 | 2.61381 | 63.6 | 318.471 | 29.194 | -3.42574 | 32 | 0 | 0 | 0 | 0 | 0 | 391.938 | 1.26667 | 14.1125 | 9.64787 | 14.9174 | 6.40583 | 4.49633 | 9.64787 | 770 | 32 | 0.663273 | 0.0409173 | -0.127504 | 0.250179 | -0.0400843 | -0.43347 | 0.0618399 | -0.0228892 | 0.00311411 | -0.00598241 | -0.00723575 | 0.0118092 | -0.0198709 | 0.884865 | -0.501337 | 0.153603 | -0.206047 | 0.274496 | 0.0495276 | -0.674114 | 2567.97 | 695.673 | 844.519 | 728.387 | 68.6924 | 16.9354 | 0 | 16.879 | 0 | 0 | 1940.59
98 | Lacidipine | 455.543 | 1 | 7 | 4.43454 | 90.93 | 668.583 | 49.974 | -5.60104 | 66 | 0 | 1 | 0 | 1 | 0 | 733.705 | 1 | 24.7588 | 15.4954 | 29.2318 | 13.3472 | 10.2528 | 15.4954 | 3032 | 66 | 1.01817 | 0.31163 | -0.450119 | 0.582657 | -0.633428 | 0.773187 | 0.304883 | -0.0474273 | 0.0277727 | -0.0704807 | -0.0346756 | -0.0453452 | -0.00678643 | 1.55834 | -1.12402 | 0.967183 | -0.732773 | 0.73945 | -1.25703 | 0.942444 | 4819.92 | 858.575 | 950.061 | 1586.4 | 128.549 | 44.0095 | 0 | 86.9666 | 0 | 58.0283 | 3196.39
98 | [NAME] | 256.091 | 4 | 5 | 3.8764 | 90.71 | 273.891 | 25.321 | -4.96445 | 23 | 0 | 0 | 0 | 0 | 0 | 241.939 | 1 | 11.7067 | 7.59222 | 12.4567 | 5.10417 | 4.0768 | 7.59222 | 417 | 23 | 0.478766 | 0.176791 | -0.077297 | 0.0903482 | -0.131135 | 0.111047 | 0.143682 | -0.025118 | -0.0310305 | 0.000508969 | -0.014549 | -0.00166612 | -0.00432376 | 0.746406 | -0.51981 | 0.33189 | -0.211351 | 0.0670322 | -0.114786 | 0.125725 | 2008.85 | 581.143 | 863.66 | 580.081 | 102.513 | 23.5285 | 55.6116 | 37.7743 | 56.0775 | 40.7304 | 1430.37
98 | Lidocaine | 234.337 | 1 | 3 | 2.11024 | 32.34 | 376.624 | 28.572 | -2.34118 | 39 | 0 | 0 | 0 | 0 | 0 | 228.377 | 1 | 12.8365 | 8.07892 | 15.0588 | 7.43802 | 5.92817 | 8.07892 | 556 | 39 | 0.345075 | -0.0109146 | 0.0685451 | -0.119699 | 0.12263 | -0.0262791 | 0.0810643 | -0.000917855 | -0.0390367 | -0.0105098 | 0.00632855 | -0.00154038 | 0.00514405 | 0.500832 | -0.197701 | -0.0444967 | -0.0245518 | -0.076258 | 0.204577 | -0.0571006 | 2538.08 | 314.047 | 324.056 | 140.962 | 38.1663 | 15.7918 | 14.0355 | 0 | 0 | 0 | 1560.16
98 | Mexiletine | 179.259 | 2 | 2 | 2.08061 | 35.25 | 291.575 | 21.597 | -2.11364 | 30 | 0 | 0 | 0 | 0 | 1 | 139.026 | 1 | 9.84493 | 6.10906 | 11.0769 | 5.02422 | 4.6875 | 6.10906 | 256 | 30 | 0.329069 | -0.0532464 | 0.184162 | -0.192311 | 0.00130058 | 0.101605 | 0.00242082 | 0.000129536 | -0.000525436 | -0.000294547 | -0.00051996 | 4.2984e-17 | -2.54612e-17 | 0.310515 | -0.153775 | -0.0417242 | 0.170032 | -0.185111 | 0.0177724 | 0.0899283 | 1889.14 | 230.69 | 256.818 | 16.2515 | 21.0636 | 0 | 6.47044 | 0 | 0 | 0 | 1051.78
98 | Nefopam | 253.339 | 0 | 2 | 2.86652 | 12.47 | 349.818 | 30.483 | -3.42108 | 38 | 0 | 0 | 0 | 0 | 1 | 274.436 | 1.11111 | 13.0791 | 9.34334 | 13.9592 | 6.6352 | 4.79501 | 9.34334 | 650 | 38 | 0.317131 | -0.183882 | 0.137657 | 0.0590521 | -0.117591 | -0.0419665 | 6.20496e-05 | 3.30132e-07 | 8.39599e-06 | -2.58586e-05 | -1.88144e-05 | -1.30584e-05 | 7.53971e-06 | 0.31626 | -0.0653539 | -0.180169 | 0.13841 | 0.0559258 | -0.11962 | -0.0415923 | 2429.01 | 391.516 | 455.72 | 372.188 | 15.1897 | 0 | 5.92755 | 0 | 0 | 0 | 1943.36
98 | Oxaprozin | 293.317 | 1 | 4 | 3.61335 | 63.33 | 365.059 | 34.245 | -4.23023 | 37 | 0 | 0 | 0 | 0 | 0 | 361.344 | 1 | 15.3636 | 10.7372 | 16.8438 | 8.20313 | 8.44444 | 10.7372 | 1063 | 37 | 0.709448 | 0.165896 | -0.0550818 | -0.288114 | 0.567831 | -0.370973 | 0.0909818 | -0.0102405 | -0.0343815 | 0.00971508 | -0.0139116 | -4.76391e-05 | 0.00181722 | 0.88158 | -0.584052 | 0.285385 | -0.0309785 | -0.483344 | 0.685351 | -0.383651 | 2828.06 | 692.627 | 802.886 | 827.943 | 60.7513 | 25.0686 | 0 | 0 | 53.9255 | 0 | 2209.92
98 | Pelrinone | 241.249 | 2 | 6 | -0.546473 | 90.17 | 311.32 | 25.595 | -1.51255 | 29 | 0 | 0 | 0 | 0 | 0 | 439.171 | 1 | 12.9578 | 8.70271 | 14.41 | 6.9632 | 6.144 | 8.70271 | 640 | 29 | 0.552421 | 0.162208 | -0.499513 | 0.582521 | -0.258068 | 0.00828168 | 0.590017 | -0.192838 | 0.0660716 | -0.256826 | 0.187085 | -0.132453 | 0.0917453 | 1.57087 | -0.815993 | 0.770337 | -1.68371 | 1.52263 | -0.644887 | 0.211285 | 2446.11 | 639.436 | 744.21 | 422.886 | 67.0707 | 26.0271 | 0 | 65.7494 | 0 | 2.42929 | 1299.51
98 | Rivastigmine | 250.337 | 0 | 4 | 2.31239 | 32.78 | 398.671 | 28.846 | -2.54076 | 40 | 0 | 0 | 0 | 0 | 1 | 268.52 | 1 | 13.7067 | 8.4516 | 16.0556 | 7.55556 | 6.144 | 8.4516 | 654 | 40 | 0.489849 | 0.172531 | -0.0339738 | -0.0571195 | 0.0558414 | -0.100653 | 0.11427 | -0.0130087 | -0.0423464 | -0.00920021 | 0.00785215 | -0.00266785 | 0.00223598 | 0.741458 | -0.500885 | 0.242249 | -0.0641373 | -0.0331345 | 0.0135332 | -0.128568 | 2729.56 | 361.222 | 434.146 | 186.328 | 60.9089 | 51.4028 | 0 | 0 | 9.53351 | 0 | 1501.29
98 | Ropinirole | 260.375 | 1 | 3 | 2.23705 | 32.34 | 392.654 | 31.468 | -2.67284 | 43 | 0 | 0 | 0 | 0 | 0 | 286.474 | 1.22222 | 13.6649 | 9.24071 | 15.39 | 7.69527 | 7.3728 | 9.24071 | 759 | 43 | 0.34644 | 0.0493612 | -0.0949309 | 0.0110618 | 0.0200383 | -0.0263731 | 0.0830506 | -0.00147304 | -0.0444187 | 0.000485511 | -0.000758019 | 0.00463893 | -1.11499e-15 | 0.501945 | -0.195181 | 0.0474638 | -0.172032 | 0.0417491 | 0.0723621 | -0.119419 | 2763.67 | 314.078 | 346.668 | 105.576 | 38.0025 | 15.782 | 0 | 0 | 0 | 8.40527 | 1849.51
98 | Tolmesoxide | 214.282 | 0 | 3 | 0.511187 | 37.6 | 297.115 | 22.685 | -2.09009 | 28 | 0 | 0 | 0 | 0 | 0 | 176.75 | 1 | 10.7152 | 6.59575 | 12.0714 | 5.1856 | 3.59184 | 6.59575 | 292 | 28 | 0.419576 | -0.163375 | 0.165445 | -0.0769601 | -0.0702603 | 0.0786465 | 2.20845 | 0.876881 | -0.0524537 | -0.0560332 | 0.0301204 | 0.0726797 | 0.0245828 | 2.38935 | 0.551781 | -0.0672147 | 0.316561 | -0.107422 | -0.503414 | 0.169752 | 2062.18 | 1453.65 | 773.692 | 491.476 | 1072.4 | 0 | 18.5914 | 117.557 | 191.206 | 73.5946 | 1235.87
98 | Valproic_acid | 144.211 | 1 | 2 | 2.66606 | 37.3 | 261.348 | 16.177 | -1.88211 | 26 | 0 | 0 | 0 | 0 | 0 | 93.4307 | 0 | 7.98313 | 4.71874 | 10 | 5.76 | 4.48 | 4.71874 | 131 | 26 | 0.357448 | 0.10357 | -0.0234952 | -0.00327529 | 0.0522209 | -0.0887548 | 0.0381474 | -0.0117604 | -0.00731332 | 8.50713e-16 | -1.68859e-15 | 9.23306e-16 | -8.35265e-17 | 0.499314 | -0.34596 | 0.157259 | -0.0554846 | -0.00591292 | 0.0695506 | -0.103266 | 1711.58 | 158.941 | 56.7984 | 0 | 34.556 | 16.9148 | 0 | 0 | 0 | 0 | 672.573
98 | Zopiclone | 388.808 | 0 | 9 | 2.27618 | 91.76 | 444.543 | 38.685 | -4.21436 | 44 | 0 | 0 | 0 | 0 | 1 | 566.945 | 1.09524 | 18.9659 | 13.0417 | 20.28 | 8.78853 | 7.39556 | 13.0417 | 1782 | 44 | 0.949678 | 0.10262 | -0.156128 | 0.176217 | -0.0834707 | 0.259973 | 0.230065 | -0.0422797 | -0.0689618 | 3.14943e-05 | -0.00718222 | -0.0413247 | 0.0576958 | 1.6042 | -0.826391 | 0.0520851 | -0.23891 | 0.245853 | -0.297607 | 0.664615 | 3657.42 | 834.218 | 1096.51 | 1321.99 | 134.083 | 101.517 | 58.1523 | 85.352 | 61.9613 | 48.9618 | 2341.06
99 | Caffeine | 194.191 | 0 | 6 | -0.431527 | 58.44 | 239.35 | 19.795 | -1.08449 | 24 | 0 | 0 | 0 | 0 | 0 | 293.066 | 1.22222 | 10.4557 | 6.53658 | 10.5156 | 3.53875 | 2.5344 | 6.53658 | 258 | 24 | 0.601658 | 0.137796 | 0.00588237 | 0.0240656 | -0.0562022 | -0.0003434 | 0.3904 | -0.0415667 | -0.170268 | -0.0691651 | 0.196266 | -0.110467 | 4.57378e-17 | 1.16684 | -0.591041 | 0.324188 | -0.664008 | 0.536701 | -0.0915116 | -0.0673922 | 2081.9 | 391.895 | 537.213 | 64.1104 | 82.0621 | 79.0328 | 43.5701 | 32.9921 | 7.56006 | 0 | 1095.31
99 | Chlordiazepoxide | 299.755 | 1 | 4 | 2.72941 | 53.14 | 358.806 | 34.262 | -4.11036 | 35 | 0 | 0 | 0 | 0 | 0 | 425.85 | 1.11765 | 14.8196 | 10.1859 | 15.879 | 7.05078 | 4.73338 | 10.1859 | 828 | 35 | 0.315414 | -0.0269039 | -0.0439187 | -0.000692957 | 0.0554025 | -0.0278497 | 0.483707 | -0.181657 | 0.00239323 | -0.0832828 | 0.00521333 | 0.0273286 | -0.014638 | 0.978738 | -0.340731 | 0.0471264 | -0.487798 | 0.340951 | 0.0659048 | -0.0558625 | 2668.39 | 671.392 | 952.223 | 922.018 | 130.547 | 5.36406 | 49.5626 | 7.38481 | 54.7061 | 7.15179 | 2411.58
99 | Ciprofibrate | 289.154 | 1 | 3 | 3.17839 | 46.53 | 365.833 | 27.721 | -3.45098 | 32 | 0 | 0 | 0 | 0 | 1 | 333.128 | 1 | 13.552 | 8.22198 | 14.41 | 5.96982 | 6.66667 | 8.22198 | 660 | 32 | 0.592715 | 0.0588721 | 0.192475 | -0.263197 | 0.145542 | -0.0737105 | 0.0406008 | -0.011803 | -0.0040542 | -0.00181766 | -0.00797194 | 0.00551578 | -0.0011846 | 0.721872 | -0.466453 | 0.0893278 | 0.207201 | -0.320564 | 0.193711 | -0.0788212 | 2448.97 | 446.404 | 386.562 | 352.612 | 112.664 | 45.9512 | 37.3191 | 0 | 0 | 0 | 1501.15
99 | Diazepam | 284.74 | 0 | 3 | 2.92048 | 32.67 | 342.901 | 32.717 | -4.14405 | 33 | 0 | 0 | 0 | 0 | 0 | 397.723 | 1.11765 | 14.1125 | 9.6647 | 14.9174 | 6.40583 | 4.25 | 9.6647 | 726 | 33 | 0.354364 | -0.0704277 | 0.133661 | -0.136755 | 0.0897227 | -0.0337339 | 0.144513 | -0.0288589 | -0.035157 | -0.0121695 | 0.0108246 | -0.00645345 | 0.00157818 | 0.681798 | -0.30093 | -0.14078 | 0.25526 | -0.145768 | 0.0472533 | -0.096393 | 2475.81 | 637.557 | 883.158 | 806.127 | 67.1443 | 16.5941 | 8.38663 | 0 | 33.3821 | 0 | 2328.83
99 | Fluorescein | 332.306 | 2 | 5 | 3.45566 | 75.99 | 350.567 | 35.235 | -4.89273 | 37 | 0 | 0 | 0 | 0 | 0 | 516.307 | 1.31818 | 17.1814 | 12.0922 | 17.1225 | 6.26963 | 4.46597 | 12.0922 | 1221 | 37 | 0.926866 | 0.162363 | -0.284262 | 0.538213 | -0.636337 | 0.58815 | 0.062924 | -0.0190339 | -0.00906991 | -0.0103786 | 0.0220197 | -0.0241474 | 0.0217968 | 1.00379 | -0.705996 | 0.430986 | -0.496038 | 0.66163 | -0.762337 | 0.747284 | 2994.76 | 851.327 | 1290.45 | 1577.4 | 98.7629 | 17.9306 | 0 | 68.2411 | 0 | 59.8432 | 2668
99 | Lomefloxacin | 351.348 | 2 | 6 | 2.83986 | 72.88 | 415.555 | 34.899 | -4.33262 | 44 | 0 | 0 | 0 | 0 | 1 | 561.746 | 1.125 | 18.3006 | 11.8454 | 19.7531 | 7.935 | 5.25849 | 11.8454 | 1362 | 44 | 0.908866 | -0.121019 | -0.146513 | 0.345857 | -0.0869967 | -0.148398 | 0.252554 | -0.0262366 | 0.0419091 | -0.105067 | 0.00431278 | -0.0184083 | -0.00378173 | 1.22178 | -0.62692 | 0.388881 | -0.599828 | 0.349446 | -0.0728156 | -0.0797326 | 3496.33 | 612.085 | 898.686 | 585.701 | 136.276 | 13.8465 | 72.5777 | 125.239 | 53.289 | 25.1343 | 2375.92
99 | Miconazole | 416.127 | 0 | 3 | 6.13669 | 27.05 | 461.717 | 40.898 | -7.0925 | 39 | 1 | 1 | 1 | 1 | 1 | 416.537 | 1 | 17.8112 | 12.0249 | 19.7531 | 9.27392 | 9.48245 | 12.0249 | 1547 | 39 | 0.47439 | -0.110146 | 0.0216224 | 0.0850143 | -0.106164 | -0.00726884 | 0.12987 | 0.00575399 | -0.0706728 | -0.00377055 | 0.00175852 | -0.00210915 | 0.000620651 | 0.483971 | -0.135952 | -0.0697774 | -0.0931673 | 0.0690245 | -0.0256981 | 0.0203434 | 3016.84 | 675.849 | 811.012 | 472.209 | 141.028 | 4.48458 | 11.922 | 95.5093 | 22.865 | 37.7813 | 2448.34
99 | Pheniramine | 240.343 | 0 | 2 | 2.61158 | 16.13 | 367.565 | 29.911 | -3.07567 | 38 | 0 | 0 | 0 | 0 | 1 | 221.137 | 1 | 12.7947 | 8.77086 | 14.41 | 7.55556 | 7.25898 | 8.77086 | 614 | 38 | 0.233468 | -0.112288 | -0.0331525 | 0.0172563 | 0.121132 | -0.005875 | 0.0181384 | -0.010037 | 0.00448699 | -0.00331618 | -0.000233818 | 1.24767e-05 | -4.03931e-05 | 0.312857 | -0.0626871 | -0.101631 | -0.0410642 | 0.0106642 | 0.14418 | -0.016393 | 2397.65 | 420.911 | 446.438 | 388.212 | 5.6065 | 0 | 0 | 0 | 2.79826 | 0 | 1721.69
99 | Prednisolone | 360.444 | 3 | 5 | 1.00938 | 94.83 | 496.063 | 37.912 | -2.52447 | 54 | 0 | 0 | 0 | 0 | 7 | 692.809 | 1.35294 | 18.9054 | 12.1705 | 19.3222 | 6.25 | 3.8058 | 12.1705 | 1425 | 54 | 0.863356 | -0.158008 | 0.211163 | 0.0186968 | -0.0311966 | -0.27585 | 0.0342857 | -0.0140447 | 0.0130316 | -0.0161298 | -4.36558e-16 | 1.58614e-15 | 2.7737e-16 | 1.03445 | -0.485917 | -0.174189 | 0.24928 | -0.0307164 | -0.0136838 | -0.272346 | 3668.72 | 402.804 | 275.759 | 67.0353 | 66.0427 | 0 | 29.0987 | 11.1465 | 11.0361 | 14.2729 | 3101.71
99 | Tiacrilast | 262.285 | 1 | 5 | 1.41996 | 69.97 | 314.438 | 27.242 | -2.54685 | 28 | 0 | 0 | 0 | 0 | 0 | 391.509 | 1.2 | 13.121 | 8.61339 | 14.41 | 6.43787 | 5.26749 | 8.61339 | 622 | 28 | 0.648598 | 0.223919 | -0.177657 | 0.101825 | -0.203567 | 0.321606 | 0.309241 | 0.00888683 | -0.0959452 | -0.131901 | 0.0664123 | -0.0912209 | 0.0982598 | 1.24841 | -0.650949 | 0.447099 | -0.538575 | 0.193291 | -0.591447 | 0.810187 | 2406.91 | 676.793 | 953.732 | 691.806 | 117.606 | 43.1291 | 0 | 58.7909 | 57.5831 | 30.4865 | 1592.71
99 | Tianeptine | 422.926 | 1 | 6 | 5.18319 | 81.3 | 505.228 | 44.967 | -6.00034 | 51 | 1 | 1 | 1 | 1 | 0 | 538.335 | 1.26667 | 20.3112 | 13.3194 | 22.68 | 9.87128 | 6.4975 | 13.3194 | 2021 | 51 | 0.767075 | 0.163588 | -0.00440755 | -0.123181 | 0.123607 | -0.0447951 | 0.388405 | -0.206131 | 0.0216377 | 0.00652101 | -0.0471522 | 0.0170115 | 0.0143023 | 1.545 | -1.11735 | 0.558633 | -0.182618 | -0.155662 | 0.265161 | -0.0793344 | 3984.51 | 688.087 | 832.336 | 719.176 | 112.456 | 44.9216 | 15.1019 | 37.4251 | 63.5555 | 0 | 3479.37
99 | [NAME] | 237.295 | 1 | 4 | 1.28103 | 39.72 | 338.096 | 25.767 | -1.81481 | 36 | 0 | 0 | 0 | 0 | 1 | 212.841 | 1 | 11.9244 | 8.39818 | 13.4321 | 7.43802 | 7.11111 | 8.39818 | 572 | 36 | 0.634757 | -0.328887 | 0.338233 | -0.0191792 | -0.220065 | 0.125232 | 0.00385445 | 0.000585635 | -0.00113278 | -0.00058565 | -0.000794427 | -5.782e-17 | 9.50356e-18 | 0.589164 | -0.205614 | -0.305083 | 0.316989 | -0.0221616 | -0.202908 | 0.128011 | 2422.69 | 283.361 | 326.721 | 46.9271 | 52.3616 | 0 | 39.5315 | 6.9401 | 0 | 15.0141 | 1236.04
100 | Acetanilide | 135.163 | 1 | 2 | 1.26629 | 29.1 | 200.264 | 16.211 | -1.51469 | 19 | 0 | 0 | 0 | 0 | 0 | 116.426 | 1 | 7.39734 | 4.78769 | 8.1 | 4 | 5.53086 | 4.78769 | 126 | 19 | 0.235723 | 0.131285 | -0.125699 | 0.0281656 | 0.00410178 | 0.00592388 | 0.0829019 | -0.00127034 | -0.040153 | -0.0123411 | 0.0108621 | -0.00386537 | 0.00531678 | 0.392234 | -0.197675 | 0.140085 | -0.223881 | 0.0938914 | -0.00220617 | 0.0126698 | 1388.75 | 311.177 | 312.54 | 123.249 | 35.0846 | 15.7045 | 0 | 0 | 0 | 0 | 741.126
100 | Acetazolamide | 222.248 | 3 | 7 | -0.996494 | 115.04 | 236.542 | 19.096 | -1.29953 | 19 | 0 | 0 | 0 | 0 | 0 | 213.566 | 1 | 10.0605 | 5.89287 | 11.0769 | 4.02216 | 6.12245 | 5.89287 | 257 | 19 | 0.578059 | 0.263423 | -0.127538 | -0.0461877 | 0.220966 | -0.353487 | 0.511159 | -0.12909 | -0.161355 | -0.0518706 | 0.162831 | -0.0308599 | -0.130987 | 1.7713 | -0.924599 | 0.1963 | -0.274281 | 0.157194 | 0.302307 | -0.827393 | 2082.43 | 649.342 | 645.14 | 302.374 | 318.985 | 245.523 | 127.735 | 119.435 | 64.137 | 44.7356 | 956.8
100 | Alfacalcidol | 400.637 | 2 | 2 | 6.35515 | 40.46 | 650.079 | 48.695 | -6.02268 | 73 | 1 | 1 | 1 | 1 | 6 | 606.394 | 1.13333 | 21.1814 | 13.7191 | 23.6587 | 10.08 | 8.21528 | 13.7191 | 2426 | 73 | 0.484921 | -0.00430316 | -0.0489404 | 0.120465 | -0.138356 | 0.0273516 | 0.000511731 | -0.000181139 | 8.15611e-05 | -7.88199e-05 | -0.000118153 | 4.06851e-05 | -3.29777e-17 | 0.484436 | -0.219094 | -0.00378189 | -0.0483482 | 0.120677 | -0.134541 | 0.0165665 | 4264.22 | 209.927 | 143.605 | 87.1124 | 21.7132 | 0 | 0 | 10.8559 | 0 | 0 | 3396.21
100 | Aminopyrine | 231.294 | 0 | 4 | 1.6256 | 26.79 | 328.023 | 27.374 | -2.7679 | 34 | 0 | 0 | 0 | 0 | 0 | 326.448 | 1 | 12.577 | 8.03658 | 13.4321 | 5.32544 | 4 | 8.03658 | 478 | 34 | 0.365976 | -0.246612 | 0.23481 | 0.104421 | -0.211993 | 0.0242384 | 0.450814 | 0.0893172 | -0.210016 | -0.140621 | 0.0355756 | -0.0157863 | 0.0177087 | 0.769229 | -0.137868 | -0.207459 | -0.0385233 | 0.239768 | -0.230943 | 0.0214926 | 2396.09 | 418.53 | 628.071 | 276.003 | 130.685 | 9.13596 | 65.6651 | 0 | 0 | 0 | 1649.63
100 | Amosulalol | 380.46 | 4 | 7 | 1.20356 | 110.88 | 494.239 | 39.991 | -3.2872 | 50 | 0 | 0 | 0 | 0 | 1 | 415.043 | 1 | 19.1565 | 12.3247 | 22.2908 | 10.5186 | 9.17452 | 12.3247 | 1973 | 50 | 0.950795 | -0.104871 | 0.347448 | -0.283999 | 0.0249799 | 0.173755 | 0.314349 | -0.208702 | 0.0498365 | 0.0100274 | -0.00719864 | -0.00113789 | -0.00019073 | 1.6184 | -1.06498 | 0.255792 | 0.260085 | -0.466971 | 0.239085 | 0.165618 | 3759.74 | 784.731 | 893.443 | 239.74 | 275.825 | 34.5986 | 30.9825 | 45.8176 | 55.8521 | 37.5783 | 2330.31
100 | Anastrozole | 293.366 | 0 | 5 | 2.34201 | 78.29 | 446.827 | 33.224 | -3.35112 | 41 | 0 | 0 | 0 | 0 | 0 | 455.669 | 1 | 16.3805 | 10.2812 | 18.3403 | 7.26644 | 6.97888 | 10.2812 | 1015 | 41 | 0.317266 | -0.0828317 | 0.0452713 | -0.0120331 | -0.00548732 | -0.0269812 | 0.489985 | -0.218295 | -0.0289676 | 0.00639742 | -0.00776537 | 0.00494861 | 0.239611 | 1.13819 | -0.481379 | -0.163649 | 0.107987 | 0.0121808 | 0.0553583 | 0.0931852 | 3080.45 | 593.593 | 475.535 | 550.715 | 27.4605 | 7.09271 | 0 | 0 | 0 | 0 | 2042.69
100 | Astemizole | 458.571 | 1 | 5 | 5.90436 | 42.32 | 586.46 | 53.429 | -7.18988 | 65 | 1 | 1 | 1 | 1 | 0 | 599.214 | 1.07407 | 23.3299 | 16.6742 | 25.6413 | 12.497 | 12.2045 | 16.6742 | 4090 | 65 | 0.689838 | 0.13947 | -0.150425 | 0.0259791 | -0.0621541 | 0.0493523 | 0.154352 | 0.00778925 | -0.0609953 | -0.0117243 | -0.0127759 | -0.00604926 | 0.0125147 | 0.79395 | -0.416086 | 0.180399 | -0.165921 | 0.00345178 | -0.00167098 | 0.0519612 | 4412.45 | 740.363 | 929.915 | 520.032 | 71.2644 | 18.9271 | 0 | 6.74343 | 0 | 21.1514 | 3533.38
100 | Azimilide | 457.953 | 0 | 8 | 2.78813 | 72.6 | 575.567 | 48.975 | -4.8471 | 60 | 0 | 0 | 0 | 0 | 0 | 670.396 | 1 | 22.5014 | 15.4912 | 25.1037 | 12.1094 | 12.8889 | 15.4912 | 3743 | 60 | 0.902758 | -0.0696227 | -0.00835481 | 0.20564 | -0.335376 | 0.0336657 | 0.249675 | -0.0214433 | -0.0964839 | -0.0955994 | 0.100031 | 0.000786647 | -0.0049614 | 1.33866 | -0.498014 | -0.16542 | -0.190483 | 0.384532 | -0.372429 | -0.066952 | 4456.43 | 703.676 | 872.398 | 572.363 | 141.454 | 78.5596 | 48.4493 | 41.4508 | 9.31909 | 60.5612 | 2853.25
100 | Bendroflumethiazide | 421.417 | 4 | 7 | 1.78719 | 118.36 | 414.907 | 37.279 | -5.09405 | 41 | 0 | 0 | 0 | 0 | 1 | 534.927 | 1.125 | 20.0352 | 12.377 | 21.7027 | 7.67958 | 7.0775 | 12.377 | 1752 | 41 | 0.903151 | 0.443473 | -0.166705 | -0.324526 | 0.154929 | 0.232522 | 0.641299 | -0.452128 | 0.159399 | -0.047927 | 0.241492 | -0.397434 | 0.176246 | 2.30797 | -1.8342 | 1.23353 | -0.288304 | -0.0340783 | -1.06563 | 1.03634 | 3896.07 | 1090.33 | 1304.58 | 1626.35 | 542.234 | 158.601 | 53.0665 | 426.352 | 546.102 | 352.258 | 2713.89
100 | Benorylate | 313.305 | 1 | 6 | 2.58735 | 81.7 | 407.032 | 33.184 | -3.85539 | 38 | 0 | 0 | 0 | 0 | 0 | 430.945 | 1 | 16.8196 | 10.9524 | 19.3264 | 9.47461 | 9.15713 | 10.9524 | 1342 | 38 | 0.77364 | 0.342392 | -0.348845 | 0.263003 | -0.0841303 | -0.0874485 | 0.17191 | -0.0212765 | -0.0596794 | -0.0338361 | 0.0303437 | -0.00126875 | 0.0308591 | 1.19331 | -0.753603 | 0.487653 | -0.563943 | 0.471213 | -0.2932 | 0.0182642 | 3185.33 | 833.547 | 1020.4 | 948.059 | 123.968 | 56.4224 | 0 | 51.1525 | 27.8321 | 34.1541 | 1795.81
100 | Bepridil | 366.54 | 0 | 3 | 5.25949 | 15.71 | 558.498 | 44.805 | -5.39655 | 61 | 1 | 1 | 1 | 1 | 1 | 381.842 | 1 | 18.8991 | 13.2203 | 21.7027 | 11.87 | 12.955 | 13.2203 | 1841 | 61 | 0.431843 | -0.207284 | 0.126814 | -0.0128059 | -0.0334888 | 0.0551954 | 0.0115433 | -0.000656027 | -0.00221076 | -0.000735957 | -0.00208546 | 2.7708e-05 | 2.8338e-05 | 0.410097 | -0.0838666 | -0.1694 | 0.0689438 | -0.0339477 | 0.0395718 | 0.0525183 | 3740.26 | 398.241 | 430.328 | 349.012 | 28.805 | 0 | 19.2799 | 5.70863 | 0 | 0 | 2758.05
100 | Bezafibrate | 361.819 | 2 | 5 | 3.85827 | 75.63 | 479.369 | 37.79 | -4.70026 | 45 | 0 | 0 | 0 | 0 | 0 | 452.34 | 1 | 18.4494 | 11.7757 | 21.3018 | 9.7963 | 9.48245 | 11.7757 | 1882 | 45 | 0.814131 | 0.0680561 | 0.287199 | -0.271538 | -0.0542552 | 0.0717454 | 0.106719 | -0.0260529 | -0.0167966 | -0.00890573 | -0.00670648 | 0.0047487 | -0.00831812 | 1.1087 | -0.687395 | 0.155577 | 0.25114 | -0.321957 | -0.0432745 | 0.0919071 | 3427.39 | 730.735 | 782.325 | 528.529 | 108.967 | 29.1223 | 37.3234 | 0 | 0 | 37.59 | 2051.29
100 | Biperiden | 311.461 | 1 | 2 | 4.03443 | 23.47 | 449.144 | 37.433 | -4.30007 | 52 | 0 | 0 | 0 | 0 | 4 | 410.31 | 1.15789 | 15.7005 | 11.255 | 16.4675 | 7.08692 | 8.08081 | 11.255 | 1142 | 52 | 0.365519 | -0.0525109 | -0.0610707 | 0.115172 | -0.0233778 | -0.0286165 | 2.92275e-05 | -6.05652e-06 | -2.93585e-06 | -5.6214e-06 | 7.01763e-06 | -9.42307e-06 | 1.67434e-07 | 0.365175 | -0.128103 | -0.0507152 | -0.0626904 | 0.117036 | -0.0251974 | -0.0285578 | 3126.88 | 264.841 | 206.762 | 150.085 | 13.9584 | 0 | 0 | 5.57004 | 0 | 0 | 2555.89
100 | Bornaprine | 329.476 | 0 | 3 | 5.1655 | 29.54 | 502.435 | 38.485 | -4.93099 | 55 | 1 | 1 | 1 | 1 | 3 | 408.466 | 1.23077 | 16.9934 | 11.7019 | 18.7811 | 8.58951 | 7.84259 | 11.7019 | 1405 | 55 | 0.446124 | -0.0620113 | -0.0620445 | 0.193915 | -0.090097 | -0.0295389 | 0.0375213 | -0.011499 | -0.0077012 | 0.000650927 | -0.000118806 | 4.78403e-05 | -0.000140352 | 0.589141 | -0.278458 | -0.0338369 | -0.0640233 | 0.199398 | -0.120598 | 0.000367982 | 3479.49 | 351.463 | 282.415 | 218.807 | 39.176 | 17.6905 | 0 | 7.88636 | 0 | 6.19766 | 2407.62
100 | Budesonide | 430.534 | 2 | 6 | 1.92414 | 93.06 | 586.794 | 45.115 | -3.30407 | 65 | 0 | 0 | 0 | 0 | 9 | 829.957 | 1.4 | 22.1814 | 14.7075 | 22.7755 | 7.76547 | 4.8 | 14.7075 | 2307 | 65 | 0.970393 | -0.164754 | 0.107084 | 0.148826 | -0.0896493 | -0.216648 | 0.0340293 | -0.0139165 | 0.0130316 | -0.0161298 | 5.21922e-16 | -8.14757e-17 | -9.45544e-16 | 1.14063 | -0.518188 | -0.171317 | 0.111142 | 0.127656 | -0.0734816 | -0.198976 | 4386.71 | 419.853 | 292.564 | 80.7331 | 83.0949 | 14.1471 | 31.1006 | 28.8282 | 24.7625 | 26.4738 | 3678.96
100 | Camazepam | 371.817 | 0 | 6 | 3.09168 | 62.21 | 461.747 | 40.422 | -4.75928 | 44 | 0 | 0 | 0 | 0 | 1 | 562.478 | 1.11765 | 18.8446 | 12.3799 | 20.727 | 9 | 5.99728 | 12.3799 | 1503 | 44 | 0.753099 | 0.090703 | 0.273723 | -0.485646 | 0.422651 | -0.114502 | 0.259071 | -0.0495906 | -0.0757678 | -0.0261731 | 0.0457059 | -0.0242216 | 0.00627949 | 1.34282 | -0.836816 | 0.170446 | 0.29608 | -0.494038 | 0.389373 | -0.191796 | 3477.55 | 803.192 | 1090.83 | 1304.59 | 120.569 | 70.5639 | 53.7888 | 7.83677 | 92.9769 | 0 | 2797.87
100 | [NAME] | 236.269 | 2 | 3 | 2.32094 | 46.33 | 289.072 | 29.849 | -3.53148 | 30 | 0 | 0 | 0 | 0 | 0 | 326.403 | 1.26667 | 12.5352 | 8.77086 | 13.005 | 5.55102 | 3.52617 | 8.77086 | 521 | 30 | 0.372005 | 0.280225 | -0.146408 | -0.0359836 | 0.140642 | -0.139456 | 0.17446 | 0.00797062 | -0.0897918 | -0.033728 | 0.0215049 | -0.00498448 | 0.0115074 | 0.654775 | -0.374989 | 0.249778 | -0.357882 | 0.12438 | 0.187137 | -0.147191 | 2215.93 | 570.007 | 884.898 | 826.037 | 57.0438 | 46.8275 | 0 | 0 | 0 | 0 | 2238.57
100 | Carmustine | 214.049 | 1 | 5 | 1.46371 | 61.77 | 275.882 | 18.125 | -2.10462 | 21 | 0 | 0 | 0 | 0 | 0 | 155.629 | 0 | 9.39734 | 5.75675 | 12 | 7.63889 | 5.32544 | 5.75675 | 226 | 21 | 0.359734 | 0.15451 | -0.0207515 | -0.12884 | 0.0892199 | -0.0131594 | 0.159643 | -0.00809896 | -0.0861357 | 0.00161391 | 0.0127994 | -5.01143e-16 | -5.48954e-17 | 0.662733 | -0.30231 | 0.0985682 | -0.0627269 | -0.140219 | 0.0984838 | -0.0193629 | 1963.75 | 353.967 | 211.351 | 160.661 | 176.723 | 89.6734 | 84.5292 | 66.8792 | 103.466 | 25.7947 | 692.815
100 | Chloral_hydrate | 165.402 | 2 | 2 | 0.807508 | 40.46 | 180.347 | 11.502 | -1.00095 | 10 | 0 | 0 | 0 | 0 | 0 | 56.4455 | 0 | 6.07735 | 2.94338 | 7 | 1.85185 | 2.66667 | 2.94338 | 42 | 10 | 0.527018 | -0.0766332 | 0.221692 | -0.0919523 | 0 | 0 | 4.4982e-30 | 1.03923e-30 | 2.77026e-30 | -4.44582e-30 | -1.61239e-30 | 0 | 0 | 0.527018 | -0.316615 | -0.0766332 | 0.221692 | -0.0919523 | 0 | 0 | 989.527 | 111.076 | 98.5736 | 0 | 111.076 | 98.5736 | 113.637 | 0 | 0 | 0 | 384.036
100 | Chloroquine | 319.872 | 1 | 3 | 4.28452 | 28.16 | 467.135 | 38.266 | -4.53153 | 48 | 0 | 0 | 0 | 0 | 1 | 308.707 | 1.2 | 15.9494 | 10.6346 | 18.3403 | 9.33333 | 7.90843 | 10.6346 | 1212 | 48 | 0.346123 | -0.00670351 | -0.138979 | 0.0845122 | -0.0142543 | 0.0525981 | 0.0529653 | -0.0204552 | 0.023566 | -0.0164623 | -0.015082 | 0.00149604 | 0.000454824 | 0.433437 | -0.195506 | 0.100463 | -0.248036 | 0.19072 | -0.095687 | 0.0451663 | 3068.53 | 398.087 | 582.886 | 165.318 | 48.7167 | 0 | 0 | 13.1673 | 6.43922 | 20.8367 | 2318.65
100 | Chlorphenesin | 202.635 | 2 | 3 | 1.17226 | 49.69 | 262.693 | 19.778 | -1.50267 | 24 | 0 | 0 | 0 | 0 | 1 | 134.822 | 1 | 9.6818 | 6.21955 | 11.0769 | 5.67188 | 6.12245 | 6.21955 | 284 | 24 | 0.604121 | -0.12615 | 0.231408 | -0.21302 | 0.0798439 | 0.041904 | 0.00347165 | -0.000236897 | -0.000484158 | -0.00114332 | -0.00039645 | 0.000525003 | 5.68738e-17 | 0.580701 | -0.280449 | -0.10691 | 0.230858 | -0.2206 | 0.084848 | 0.0480154 | 1767.09 | 284.804 | 321.732 | 94.2873 | 69.2977 | 0 | 25.2104 | 14.1988 | 23.3213 | 0 | 866.866
100 | Cicaprost | 374.471 | 3 | 5 | 1.89808 | 86.99 | 556.875 | 39.83 | -2.52022 | 57 | 0 | 0 | 0 | 0 | 6 | 664.501 | 1.25 | 19.8112 | 12.9179 | 23.2806 | 11.87 | 12.2253 | 12.9179 | 2275 | 57 | 0.97209 | -0.0845931 | 0.202107 | -0.0926974 | -0.0983543 | 0.184716 | 0.0382957 | -0.0118679 | -0.00727997 | -1.29502e-17 | -0.00187494 | 0.00374987 | -0.00187494 | 1.11653 | -0.585759 | -0.0510532 | 0.188575 | -0.0988519 | -0.0920136 | 0.176248 | 3901.34 | 381.928 | 117.958 | 283.616 | 69.4837 | 17.1026 | 29.2181 | 0 | 0 | 11.1071 | 2193.03
100 | [NAME] | 343.417 | 1 | 5 | 2.96001 | 79.55 | 482.421 | 36.59 | -3.77188 | 50 | 0 | 0 | 0 | 0 | 0 | 511.034 | 1 | 17.8636 | 12.0756 | 19.7531 | 8.79224 | 7.26 | 12.0756 | 1507 | 50 | 0.750931 | -0.0367128 | 0.23222 | -0.067943 | -0.245432 | 0.0360882 | 0.201618 | -0.0908529 | -0.012627 | -0.00552455 | 0.00143038 | 0.0457594 | -0.0629704 | 1.15263 | -0.611406 | -0.0174065 | 0.201726 | 0.0818761 | -0.28551 | -0.3689 | 3578.27 | 536.754 | 428.665 | 261.257 | 77.7505 | 16.9147 | 18.8439 | 0 | 0 | 10.2569 | 2296.75
100 | Citalopram | 324.392 | 0 | 3 | 3.55021 | 36.26 | 440.696 | 35.914 | -4.21004 | 45 | 0 | 0 | 0 | 0 | 1 | 465.504 | 1.13333 | 17.1565 | 11.5477 | 18.7811 | 8.13148 | 6.68245 | 11.5477 | 1298 | 45 | 0.398094 | -0.120693 | 0.113011 | -0.0769004 | -0.0836158 | 0.173906 | 0.167412 | -0.0869227 | 0.0197414 | -0.0152227 | 0.00275799 | -0.0043586 | -0.00462144 | 0.719436 | -0.279169 | -0.123622 | 0.119438 | -0.0414704 | -0.162801 | 0.18714 | 3166.86 | 535.854 | 665.681 | 425.125 | 43.9709 | 0 | 0 | 0 | 5.80203 | 25.2127 | 2314.21
100 | Corticosterone | 346.461 | 2 | 4 | 1.63849 | 74.6 | 492.107 | 37.467 | -2.76984 | 55 | 0 | 0 | 0 | 0 | 7 | 613.508 | 1.35294 | 17.9828 | 11.8085 | 18.3673 | 6.26963 | 4.13528 | 11.8085 | 1305 | 55 | 0.648901 | -0.0912553 | 0.0702446 | 0.0728978 | -0.106886 | -0.128721 | 0.0271245 | -0.0128129 | 0.0057535 | -0.0065029 | 2.96652e-17 | 5.09025e-16 | 4.13477e-16 | 0.80338 | -0.359301 | -0.0948942 | 0.0859054 | 0.0544615 | -0.109572 | -0.133102 | 3601.1 | 331.088 | 106.516 | 38.0416 | 56.1365 | 0 | 14.2772 | 0 | 0 | 14.1385 | 3058.15
100 | Coumarin | 146.143 | 0 | 2 | 1.79573 | 26.3 | 178.521 | 16.421 | -2.19449 | 17 | 0 | 0 | 0 | 0 | 0 | 186.247 | 1.2 | 7.6818 | 5.36017 | 7.63889 | 3.16406 | 3.26531 | 5.36017 | 144 | 17 | 0.296534 | 0.0924221 | 0.00667478 | -0.0532914 | 0.0151689 | 0.0114643 | 0.0734789 | -0.0163096 | -0.00386408 | -0.0239523 | 0.0139038 | -0.00879499 | 0.00227778 | 0.477226 | -0.324149 | 0.211804 | -0.113781 | -0.0117691 | 0.0167541 | 0.00681143 | 1394.67 | 415.176 | 593.484 | 152.853 | 41.9825 | 17.5593 | 0 | 0 | 0 | 0 | 857.69
100 | Cyclopenthiazide | 379.885 | 4 | 7 | 2.19432 | 118.36 | 408.386 | 36.386 | -5.13947 | 41 | 0 | 0 | 0 | 0 | 1 | 439.443 | 1.13333 | 16.8281 | 10.6657 | 17.8112 | 6.3787 | 6.42805 | 10.6657 | 1153 | 41 | 0.647805 | 0.380967 | -0.327977 | 0.253893 | -0.627617 | 0.864634 | 0.645523 | -0.462432 | 0.173604 | -0.0630984 | 0.257864 | -0.398758 | 0.170059 | 2.0531 | -1.67434 | 1.24124 | -0.796825 | 1.06952 | -2.29679 | 2.10982 | 3479.76 | 860.815 | 1016.44 | 852.924 | 495.076 | 81.9955 | 127.541 | 292.759 | 409.154 | 197.905 | 2675.72
100 | Diacetylmorphine | 383.438 | 0 | 6 | 2.05447 | 65.07 | 484.136 | 40.121 | -3.49494 | 53 | 0 | 0 | 0 | 0 | 5 | 682.328 | 1.57895 | 19.629 | 13.4136 | 19.9336 | 7.3008 | 4.54179 | 13.4136 | 1686 | 53 | 0.844314 | 0.00154748 | 0.187944 | -0.291356 | 0.125133 | 0.132085 | 0.0806035 | -0.0189309 | -0.0222812 | -0.000311121 | 0.00569724 | -0.0101092 | 0.0058581 | 1.08844 | -0.617286 | 0.125039 | 0.0908026 | -0.33986 | 0.24821 | 0.0851259 | 3857.85 | 624.147 | 536.364 | 588.429 | 104.851 | 38.9507 | 46.0571 | 0 | 40.313 | 35.1635 | 3198.61
100 | Dicyclomine | 309.487 | 0 | 3 | 5.35995 | 29.54 | 511.626 | 36.165 | -4.81762 | 57 | 1 | 1 | 1 | 1 | 0 | 320.973 | 1 | 15.8387 | 10.7255 | 18.3403 | 9.33333 | 6.57439 | 10.7255 | 1099 | 57 | 0.425215 | -0.0753082 | 0.0859993 | -0.0231194 | 0.0395962 | -0.049095 | 0.037706 | -0.0115872 | -0.00726584 | -2.07611e-15 | 1.4111e-15 | -3.93376e-16 | -5.6715e-17 | 0.568435 | -0.289078 | -0.0417654 | 0.0826448 | -0.0555994 | 0.080316 | -0.042108 | 3482.68 | 163.401 | 57.827 | 13.9952 | 39.2565 | 17.6897 | 7.97181 | 0 | 6.24149 | 0 | 2192.16
100 | Dofetilide | 441.567 | 2 | 8 | 2.19598 | 104.81 | 562.831 | 46.429 | -4.84944 | 56 | 0 | 1 | 0 | 1 | 0 | 470.761 | 1 | 21.4934 | 13.4999 | 25.2622 | 11.5714 | 15.4514 | 13.4999 | 3074 | 56 | 0.72786 | 0.265345 | -0.289337 | 0.0386292 | 0.152458 | -0.312793 | 0.586108 | -0.307896 | 0.0367316 | -0.0897187 | 0.047467 | 0.00666854 | 0.028066 | 1.97976 | -1.34705 | 0.868739 | -0.729316 | 0.232726 | 0.217772 | -0.531621 | 4380.35 | 1031.22 | 920.386 | 546.957 | 462.894 | 85.9168 | 7.17418 | 0 | 18.136 | 57.5131 | 2722.92
100 | [NAME] | 451.475 | 2 | 10 | 2.09553 | 112.27 | 538.129 | 47.434 | -4.62805 | 58 | 0 | 0 | 0 | 0 | 1 | 677.628 | 1.15385 | 22.949 | 16.0672 | 24.6837 | 10.9477 | 8.27348 | 16.0672 | 3556 | 58 | 1.29812 | -0.196532 | 0.227989 | 0.0297048 | -0.0917305 | 0.00765208 | 0.213007 | -0.0783531 | 0.0226844 | -0.026733 | 0.001665 | -0.0559705 | -0.0422954 | 1.66403 | -1.00644 | 0.285959 | -0.0347304 | 0.0375767 | -0.103407 | -0.258184 | 4433.12 | 877.694 | 1151.81 | 685.32 | 138.137 | 31.4125 | 87.3804 | 57.7853 | 52.3684 | 58.0764 | 2971.87
100 | Ergotamine | 581.662 | 3 | 10 | 2.05338 | 118.21 | 687.957 | 64.024 | -5.55601 | 78 | 1 | 1 | 1 | 1 | 6 | 1206.31 | 1.32353 | 29.6726 | 20.6763 | 30.3408 | 11.3126 | 8.67769 | 20.6763 | 6191 | 78 | 1.30175 | 0.250077 | 0.0158688 | -0.204817 | 0.061883 | 0.222372 | 0.260372 | -0.0266089 | -0.0777289 | 0.000377509 | -0.0685669 | 0.055846 | -0.00575163 | 1.7359 | -0.918778 | 0.258739 | -0.0376063 | -0.496374 | 0.204612 | 0.391451 | 5684.94 | 889.892 | 912.918 | 1034.46 | 127.481 | 107.869 | 111.013 | 52.17 | 93.279 | 31.3212 | 5123.58
100 | Ethinyl_Estradiol | 296.403 | 2 | 2 | 4.19224 | 40.46 | 414.162 | 33.972 | -4.39329 | 46 | 0 | 0 | 0 | 0 | 5 | 499.573 | 1.35294 | 15.5352 | 10.4831 | 15.5232 | 5.25 | 3.59168 | 10.4831 | 941 | 46 | 0.488073 | 0.0545115 | 0.084561 | -0.151002 | 0.01147 | 0.016308 | 0.00389963 | -0.000976105 | -9.66493e-05 | -0.000278533 | -0.00059853 | 2.12486e-16 | 0.000113105 | 0.46999 | -0.286514 | 0.0879829 | 0.0602961 | -0.144012 | 0.00657841 | 0.0194778 | 2913.36 | 301.583 | 273.569 | 0 | 29.0127 | 0 | 0 | 0 | 0 | 0 | 2626.08
100 | Ethyl_alcohol | 46.0684 | 1 | 1 | -0.0854953 | 20.23 | 97.6583 | 5.081 | 0.304562 | 9 | 0 | 0 | 0 | 0 | 0 | 2.75489 | 0 | 2.70711 | 1.41421 | 3 | 2 | 0 | 1.41421 | 4 | 9 | 0.200821 | -0.0106291 | -0.00777829 | 0.0147321 | 0 | 0 | 4.27984e-30 | 1.54479e-30 | 1.74493e-30 | -5.05653e-31 | -3.81334e-32 | 0 | 0 | 0.200821 | -0.0967354 | -0.0106291 | -0.00777829 | 0.0147321 | 0 | 0 | 561.024 | 10.5145 | 0 | 0 | 10.5145 | 0 | 0 | 0 | 0 | 0 | 90.263
100 | Ethynodiol_diacetate | 384.508 | 0 | 4 | 4.88982 | 52.6 | 561.656 | 41.868 | -5.24486 | 60 | 0 | 0 | 0 | 0 | 7 | 720.425 | 1.35294 | 20.1041 | 13.2935 | 21.2404 | 7.92188 | 5.58678 | 13.2935 | 1979 | 60 | 0.626434 | 0.244548 | -0.0728874 | -0.123267 | 0.0808204 | -0.0593993 | 0.0758482 | -0.0234872 | -0.0155938 | -0.00150441 | 0.0064794 | -0.00381813 | -5.73691e-17 | 0.91112 | -0.615984 | 0.361295 | -0.165362 | -0.107298 | 0.131814 | -0.0895449 | 4055.62 | 448.783 | 193.849 | 95.2639 | 75.1941 | 36.2492 | 0 | 0 | 0 | 0 | 3161.65
100 | Fenclofenac | 297.133 | 1 | 3 | 4.17827 | 46.53 | 341.772 | 29.705 | -4.61605 | 29 | 0 | 0 | 0 | 0 | 0 | 311.066 | 1 | 13.8281 | 9.05855 | 15.39 | 7.1358 | 6.81657 | 9.05855 | 728 | 29 | 0.561972 | 0.132579 | -0.0365682 | -0.235861 | 0.362639 | -0.1608 | 0.0471577 | -0.0113445 | -0.0146743 | 0.00328782 | 0.00171155 | -0.00179188 | -0.00498869 | 0.659578 | -0.430788 | 0.211568 | -0.0585254 | -0.270027 | 0.409915 | -0.204241 | 2394.44 | 651.873 | 783.879 | 762.881 | 118.863 | 16.9392 | 27.7105 | 28.9135 | 70.1339 | 0 | 1701.98
100 | Finasteride | 372.544 | 2 | 4 | 4.55789 | 58.2 | 572.767 | 42.817 | -5.23845 | 63 | 0 | 0 | 0 | 0 | 7 | 666.025 | 1.35294 | 19.6125 | 12.5443 | 20.28 | 6.76801 | 5.33143 | 12.5443 | 1726 | 63 | 0.495507 | 0.243858 | -0.176203 | 0.107038 | -0.0863091 | 0.0444607 | 0.13439 | -0.0259007 | -0.0326494 | -0.00864512 | 4.44032e-16 | 1.13289e-16 | -4.73187e-16 | 0.825585 | -0.505174 | 0.32106 | -0.294923 | 0.182328 | -0.116443 | 0.0338567 | 4006.89 | 302.093 | 164.478 | 0 | 50.7962 | 24.3332 | 0 | 0 | 0 | 0 | 3386.87
100 | Flucytosine | 129.093 | 3 | 4 | 0.0804168 | 72.03 | 143.467 | 11.039 | -0.753449 | 13 | 0 | 0 | 0 | 0 | 0 | 101.814 | 1 | 6.85337 | 4.19838 | 7.11111 | 2.72222 | 2.88 | 4.19838 | 84 | 13 | 0.575118 | 0.265325 | -0.121849 | 0.0811955 | -0.071148 | 0.0167905 | 0.0926937 | -0.0575364 | 0.0374346 | -0.0165202 | -0.0104723 | 0.000747467 | 2.1844e-18 | 0.790249 | -0.693859 | 0.592314 | -0.357427 | 0.152201 | -0.109768 | 0.0214144 | 1256.93 | 352.922 | 473.852 | 41.6109 | 64.0236 | 24.7194 | 35.1748 | 23.031 | 22.0281 | 0 | 377.795
100 | Flupentixol | 434.519 | 1 | 3 | 4.47423 | 26.71 | 510.415 | 45.393 | -5.44176 | 55 | 0 | 0 | 0 | 0 | 0 | 585.502 | 1.2 | 21.1396 | 14.4528 | 23.168 | 10.2924 | 8.81633 | 14.4528 | 2618 | 55 | 0.723629 | -0.179004 | 0.209459 | -0.0277238 | -0.195605 | 0.177152 | 0.00200539 | 7.57602e-05 | -0.000197975 | -0.000563611 | -5.13862e-05 | -0.000518086 | 0.000332747 | 0.719452 | -0.335035 | -0.164888 | 0.190342 | -0.00601518 | -0.185652 | 0.162961 | 3917.52 | 567.954 | 921.314 | 563.491 | 124.04 | 76.3727 | 8.36028 | 0 | 0 | 90.2638 | 3261.98
100 | Fluvastatin | 411.466 | 3 | 5 | 4.56791 | 82.69 | 534.581 | 47.059 | -5.54201 | 56 | 0 | 0 | 0 | 0 | 2 | 577.798 | 1.13333 | 21.8361 | 14.2738 | 24.6387 | 11.2277 | 9.58262 | 14.2738 | 2476 | 56 | 0.964515 | 0.196644 | -0.335374 | 0.469168 | -0.424866 | 0.121904 | 0.0974704 | -0.00484484 | -0.0363172 | 0.00182972 | -0.00743596 | -0.0066758 | 0.000838464 | 1.02151 | -0.605799 | 0.277713 | -0.402734 | 0.529993 | -0.526582 | 0.283498 | 4009.68 | 707.752 | 858.302 | 742.441 | 89.0291 | 16.9276 | 0 | 37.9562 | 9.88762 | 27.374 | 3552.21
100 | Fusidic_acid | 516.709 | 3 | 6 | 4.71757 | 104.06 | 781.156 | 56.899 | -5.51165 | 85 | 1 | 1 | 1 | 1 | 10 | 941.963 | 1.35294 | 27.4993 | 17.1691 | 29.97 | 10.7666 | 6.84024 | 17.1691 | 3804 | 85 | 1.07364 | 0.263832 | -0.121022 | -0.0863818 | 0.187599 | -0.449825 | 0.0820073 | -0.0260412 | -0.00348819 | -0.0021167 | -0.0105905 | 0.0106124 | -0.0306679 | 1.36419 | -0.858868 | 0.399803 | -0.182792 | -0.162831 | 0.310678 | -0.702746 | 5511.41 | 465.253 | 276.306 | 361.92 | 91.6914 | 34.0564 | 0 | 0 | 39.0061 | 15.7716 | 4709.36
100 | Gemfibrozil | 250.333 | 1 | 3 | 3.30469 | 46.53 | 400.192 | 28.309 | -3.06115 | 40 | 0 | 0 | 0 | 0 | 0 | 272.912 | 1 | 13.7591 | 8.3262 | 16.0556 | 6.9632 | 6.66667 | 8.3262 | 705 | 40 | 0.535687 | 0.0851878 | 0.0976724 | -0.144564 | -0.1002 | 0.175344 | 0.0416238 | -0.012538 | -0.00741603 | -0.00018586 | -0.000672006 | 0.00398777 | -0.00182384 | 0.660919 | -0.424098 | 0.153202 | 0.0806526 | -0.142779 | -0.126866 | 0.192099 | 2690.76 | 387.419 | 312.838 | 43.3134 | 53.3148 | 16.931 | 0 | 0 | 0 | 35.8029 | 1462.17
100 | Genaconazole | 331.339 | 1 | 6 | 0.917261 | 85.08 | 389.655 | 30.579 | -2.71144 | 37 | 0 | 0 | 0 | 0 | 2 | 393.542 | 1 | 16.5436 | 10.1427 | 18.3403 | 6.85714 | 6.20408 | 10.1427 | 954 | 37 | 0.653285 | -0.0278406 | -0.142325 | 0.19824 | -0.187672 | 0.162326 | 0.446092 | -0.24137 | 0.0190719 | -0.0209189 | 0.153821 | -0.198997 | -0.00406534 | 1.44763 | -0.776501 | 0.270053 | -0.475645 | 0.64269 | -0.689159 | 0.444276 | 3175.41 | 741.76 | 571.524 | 959.754 | 262.285 | 19.1391 | 54.2142 | 112.636 | 130.009 | 89.5528 | 1997.27
100 | Glimepiride | 490.617 | 3 | 9 | 3.28631 | 124.68 | 650.743 | 52.164 | -5.92198 | 68 | 0 | 0 | 0 | 0 | 0 | 760.952 | 1 | 24.8801 | 16.1014 | 28.5694 | 12.9919 | 11.7396 | 16.1014 | 4390 | 68 | 0.924141 | 0.702798 | -0.61376 | 0.333134 | -0.060905 | -0.00082856 | 0.652655 | -0.19672 | -0.0524098 | -0.21371 | 0.142867 | -0.00336417 | 9.09223e-05 | 2.39402 | -1.52197 | 1.1746 | -1.62255 | 1.03006 | -0.197501 | 0.0793027 | 5149.31 | 926.935 | 1067.19 | 498.933 | 320.73 | 145.304 | 87.8665 | 64.4102 | 0 | 0 | 3254.98
100 | [NAME] | 445.536 | 3 | 9 | 3.69271 | 130.15 | 567.58 | 46.964 | -5.98001 | 58 | 0 | 0 | 0 | 0 | 0 | 594.319 | 1 | 22.2694 | 14.8313 | 25.6198 | 12.4593 | 12.1488 | 14.8313 | 3430 | 58 | 0.886987 | 0.292754 | -0.289474 | 0.29246 | -0.161922 | 0.0851677 | 0.527174 | -0.204109 | -0.0147903 | -0.149949 | 0.117926 | -0.0104139 | -0.000880947 | 2.18309 | -1.31935 | 0.617195 | -0.98251 | 0.876401 | -0.334438 | 0.201865 | 4541.44 | 1017.7 | 1211.21 | 575.419 | 293.752 | 97.1159 | 106.4 | 58.5301 | 0 | 0 | 2812.74
100 | Glycine | 75.0666 | 3 | 3 | -3.34277 | 63.32 | 115.538 | 6.518 | 2.25983 | 10 | 0 | 0 | 0 | 0 | 0 | 42.9126 | 0 | 4.28446 | 2.27006 | 5 | 2.25 | 4 | 2.27006 | 18 | 10 | 0.472968 | 0.0495912 | 0.185139 | -0.195331 | 0.0547697 | 0 | 0.0380181 | -0.0117003 | -0.00730875 | 3.60077e-16 | -3.30249e-17 | -8.47409e-33 | 0 | 0.616335 | -0.420026 | 0.0800038 | 0.197643 | -0.220558 | 0.0547697 | 0 | 882.186 | 161.303 | 66.7764 | 0 | 36.9994 | 16.9957 | 12.542 | 0 | 0 | 0 | 137.795
100 | Granisetron | 312.41 | 1 | 5 | 2.53633 | 50.16 | 414.275 | 36.001 | -3.70081 | 47 | 0 | 0 | 0 | 0 | 2 | 442.303 | 1.27778 | 15.9743 | 11.131 | 16.4675 | 6.71884 | 5.78567 | 11.131 | 1195 | 47 | 0.490913 | -0.118035 | -0.0738619 | 0.238078 | -0.120335 | -0.0743704 | 0.135551 | -0.0373092 | -0.0460197 | 0.047295 | -0.0373455 | 0.00611951 | -0.000515665 | 0.647643 | -0.263996 | -0.106989 | 0.0749705 | 0.0449574 | -0.0814286 | -0.0483915 | 3196.05 | 401.598 | 557.808 | 173.4 | 43.5177 | 12.3493 | 16.8662 | 28.5496 | 0 | 5.18454 | 2399.78
100 | [NAME] | 375.864 | 1 | 3 | 3.98069 | 40.54 | 482.39 | 39.746 | -4.79954 | 49 | 0 | 0 | 0 | 0 | 0 | 450.927 | 1 | 18.5707 | 12.4601 | 20.727 | 9.46746 | 8.71006 | 12.4601 | 2035 | 49 | 0.521677 | -0.0243716 | -0.00237601 | -0.0268713 | -0.0866337 | 0.217478 | 0.0154779 | -0.00821769 | 0.00529175 | -0.00547408 | 0.00397371 | -0.00122734 | -0.00208528 | 0.601185 | -0.268172 | -0.00275126 | -0.0247165 | -0.00352619 | -0.102567 | 0.221124 | 3435.1 | 583.423 | 648.924 | 151.896 | 83.1241 | 0 | 0 | 5.56883 | 6.74718 | 37.7637 | 2391.76
100 | Hydralazine | 160.176 | 3 | 4 | 0.670482 | 63.83 | 197.271 | 18.026 | -1.78696 | 20 | 0 | 0 | 0 | 0 | 0 | 149.993 | 1.2 | 8.38891 | 5.91501 | 8.59172 | 3.80623 | 3.11419 | 5.91501 | 182 | 20 | 0.296126 | -0.1539 | 0.144992 | 0.0303468 | -0.0845185 | -0.0413086 | 0.129242 | 0.0299164 | -0.0656618 | -0.0317024 | 0.000823338 | 0.00131349 | 0.000690027 | 0.454028 | -0.0775889 | -0.194436 | 0.1618 | -0.023227 | -0.124521 | -0.0266309 | 1539.63 | 410.867 | 586.288 | 172.71 | 47.4906 | 7.87248 | 17.7366 | 8.43662 | 0 | 0 | 909.946
100 | Indobufen | 295.333 | 1 | 4 | 3.03877 | 57.61 | 379.165 | 33.16 | -3.85639 | 39 | 0 | 0 | 0 | 0 | 1 | 428.048 | 1.13333 | 15.6899 | 10.6134 | 16.8438 | 7.26644 | 5.8642 | 10.6134 | 1097 | 39 | 0.589474 | 0.118061 | -0.0426241 | 0.100954 | -0.0503389 | -0.137311 | 0.119613 | -0.0160708 | -0.0429435 | -0.0110043 | 0.00685614 | 0.00198798 | 0.0195702 | 0.892512 | -0.529546 | 0.171474 | -0.144091 | 0.146083 | 0.0321234 | -0.172593 | 2912.54 | 658.613 | 766.82 | 676.92 | 69.7762 | 32.5825 | 0 | 0 | 0 | 0 | 2127.09
100 | Indomethacin | 357.787 | 1 | 5 | 3.35016 | 68.53 | 425.894 | 37.912 | -4.59031 | 41 | 0 | 0 | 0 | 0 | 0 | 494.061 | 1.13333 | 18.1375 | 11.9179 | 19.7531 | 8.34714 | 6.58503 | 11.9179 | 1424 | 41 | 0.777091 | 0.201064 | -0.0859774 | -0.1274 | 0.329858 | -0.600662 | 0.180179 | -0.00368261 | -0.10872 | -0.0204121 | 0.0512949 | 0.00761377 | -0.0273103 | 1.01472 | -0.571202 | 0.174873 | -0.135838 | 0.123322 | 0.174595 | -0.891961 | 3273.65 | 772.324 | 981.881 | 966.492 | 104.332 | 28.1608 | 0 | 0 | 42.0648 | 36.0706 | 2568.62
100 | Irbesartan | 428.53 | 1 | 7 | 5.95726 | 87.13 | 552.688 | 49.557 | -7.31512 | 60 | 1 | 1 | 1 | 1 | 0 | 669.588 | 1.03846 | 21.968 | 15.6994 | 23.7284 | 10.7266 | 10.0346 | 15.6994 | 3125 | 60 | 0.497785 | -0.072659 | 0.0931204 | -0.0242627 | 0.0304226 | -0.0117004 | 0.410419 | -0.112777 | -0.104913 | 0.0090716 | 0.00547734 | -0.00448859 | 0.00117199 | 1.09494 | -0.497796 | -0.108047 | 0.118967 | -0.0866684 | 0.118762 | -0.038062 | 4284.71 | 829.373 | 1061.74 | 1115.81 | 82.4928 | 45.1021 | 2.78235 | 0 | 0 | 0 | 3399.35
100 | Isosorbide-2-mononitrate | 191.139 | 1 | 7 | -0.839644 | 93.74 | 222.592 | 14.635 | -0.0320917 | 22 | 0 | 0 | 0 | 0 | 4 | 211.16 | 1.25 | 9.42229 | 6.18154 | 9.55102 | 3.63 | 4.6875 | 6.18154 | 239 | 22 | 0.697365 | -0.268808 | 0.456851 | -0.415085 | 0.244209 | -0.112965 | 0.503882 | -0.308239 | 0.0562976 | 9.45135e-16 | -1.36778e-15 | -3.29179e-16 | 3.15422e-16 | 1.58765 | -1.00778 | 0.100367 | 0.485965 | -0.807524 | 0.636969 | -0.370398 | 2126.55 | 389.809 | 113.228 | 101.798 | 98.1288 | 55.9117 | 78.2174 | 0 | 69.6055 | 0 | 640.723
100 | Isoxicam | 335.336 | 2 | 8 | 2.45939 | 112.74 | 366.84 | 33.248 | -4.54806 | 36 | 0 | 0 | 0 | 0 | 0 | 503.295 | 1.13333 | 16.7757 | 10.8194 | 17.8112 | 6.71884 | 5.23498 | 10.8194 | 1115 | 36 | 0.841478 | 0.09265 | 0.0553938 | -0.156289 | 0.0970172 | -0.0202329 | 0.497346 | -0.231282 | -0.0590068 | 0.0431229 | 0.0423438 | -0.0427667 | -0.1475 | 1.70942 | -1.01581 | 0.410101 | -0.102144 | -0.572072 | 0.773256 | -0.466937 | 3291.59 | 882.43 | 1232.93 | 1048.98 | 329.778 | 68.073 | 84.832 | 209.192 | 110.57 | 70.9103 | 2262.17
100 | Ketanserin | 395.427 | 1 | 6 | 2.54087 | 69.72 | 481.326 | 41.912 | -4.6024 | 51 | 0 | 0 | 0 | 0 | 0 | 626.792 | 1.09091 | 20.3801 | 14.0249 | 22.2031 | 10.08 | 8.21528 | 14.0249 | 2596 | 51 | 0.716744 | 0.219264 | -0.15042 | -0.0597338 | 0.0933186 | 0.0726977 | 0.253369 | -0.0104258 | -0.0954047 | -0.0753993 | 0.0668458 | -0.0175016 | 0.00520135 | 1.27661 | -0.601221 | 0.285384 | -0.576708 | 0.172335 | 0.141974 | 0.0989033 | 3914.49 | 781.6 | 986.127 | 345.32 | 114.319 | 69.5079 | 9.18663 | 21.987 | 24.2771 | 19.8338 | 2657.89
100 | Letrozole | 285.303 | 0 | 5 | 2.43045 | 78.29 | 365.819 | 31.874 | -3.95296 | 33 | 0 | 0 | 0 | 0 | 0 | 419.931 | 1 | 15.3636 | 10.8132 | 16.8438 | 8.20313 | 7.42188 | 10.8132 | 1058 | 33 | 0.331364 | -0.113751 | 0.0773857 | 0.0696688 | -0.078266 | -0.144672 | 0.502498 | -0.231879 | 0.0222543 | -0.0288176 | 0.027822 | -0.0328827 | 0.146299 | 1.1911 | -0.51755 | -0.123125 | 0.0382419 | 0.165487 | 0.00745247 | -0.142951 | 2759.05 | 778.783 | 887.877 | 1034.95 | 25.8589 | 7.0993 | 0 | 0 | 0 | 0 | 1930.35
100 | [NAME] | 170.209 | 2 | 4 | -0.692751 | 63.4 | 254.051 | 17.806 | -0.37787 | 26 | 0 | 0 | 0 | 0 | 1 | 203.235 | 1 | 9.13783 | 5.6639 | 10.0833 | 4.29688 | 4 | 5.6639 | 190 | 26 | 0.45602 | 0.115801 | 0.130245 | -0.253406 | 0.174529 | -0.114924 | 0.130741 | -0.0226386 | -0.0318983 | 0.000485992 | -0.033472 | 0.0221526 | -1.41221e-16 | 0.786979 | -0.454027 | 0.182928 | 0.0876534 | -0.430295 | 0.377124 | -0.197134 | 1924.39 | 240.013 | 91.3892 | 91.4865 | 52.4139 | 25.0716 | 29.73 | 0 | 21.5287 | 0 | 861.128
100 | Levobunolol | 291.385 | 2 | 4 | 2.06372 | 58.56 | 435.502 | 32.556 | -2.56705 | 46 | 0 | 0 | 0 | 0 | 1 | 350.435 | 1.2 | 15.4578 | 9.86599 | 17.3554 | 7.51301 | 7.70511 | 9.86599 | 1030 | 46 | 0.617407 | -0.0908339 | 0.141425 | -0.164111 | 0.137071 | -0.0363635 | 0.0134404 | -0.00539696 | -0.00033135 | 0.00200829 | -0.000741173 | -0.002259 | 2.8171e-16 | 0.676153 | -0.307815 | -0.0775523 | 0.152604 | -0.20637 | 0.176489 | -0.0358774 | 3048.44 | 364.475 | 378.52 | 155.657 | 49.3215 | 0 | 19.6891 | 7.00726 | 17.8789 | 0 | 1819.97
100 | Levonorgestrel | 312.446 | 1 | 2 | 3.69273 | 37.3 | 457.404 | 35.64 | -4.00961 | 51 | 0 | 0 | 0 | 0 | 6 | 590.412 | 1.35294 | 16.2423 | 11.0438 | 16.4675 | 5.77156 | 3.66514 | 11.0438 | 1053 | 51 | 0.376065 | 0.00877551 | 0.0966649 | -0.112993 | -0.0299254 | 0.0194408 | 0.0194895 | -0.0090415 | 0.00650707 | -0.00721033 | -2.15184e-16 | 5.93449e-16 | 1.41806e-16 | 0.463067 | -0.244724 | 0.0423336 | 0.0676911 | -0.108594 | -0.0286486 | 0.0279995 | 3212.21 | 258.686 | 104.879 | 0 | 27.3153 | 0 | 0 | 0 | 0 | 0 | 2824.91
100 | Lisuride | 338.447 | 2 | 5 | 2.27947 | 51.37 | 448.368 | 40.918 | -3.77167 | 51 | 0 | 0 | 0 | 0 | 2 | 532.034 | 1.4375 | 17.5517 | 12.1177 | 18.3673 | 7.55265 | 5.7363 | 12.1177 | 1442 | 51 | 0.605983 | 0.162628 | -0.037886 | -0.0821997 | 0.085412 | -0.0338615 | 0.210319 | -0.0113964 | -0.0887381 | -0.00232553 | -0.00266482 | -0.00965464 | -0.0173525 | 0.799675 | -0.467378 | 0.23033 | -0.073939 | -0.0816706 | 0.00152783 | -0.00354605 | 3424.45 | 428.847 | 530.28 | 261.641 | 51.4155 | 35.424 | 7.03323 | 0 | 16.0987 | 0 | 3040.37
100 | Lormetazepam | 335.184 | 1 | 4 | 3.61885 | 52.9 | 375.811 | 35.282 | -4.79302 | 34 | 0 | 0 | 0 | 0 | 1 | 465.358 | 1.11765 | 15.853 | 10.4861 | 16.8438 | 6.85714 | 4.30839 | 10.4861 | 913 | 34 | 0.57325 | -0.101706 | 0.295384 | -0.191154 | 0.0743752 | -0.0960497 | 0.149463 | -0.0316035 | -0.0331262 | -0.0116429 | 0.00786955 | -0.00665878 | 0.00362849 | 0.902894 | -0.477025 | -0.0998311 | 0.304442 | -0.125444 | 0.0386077 | -0.202124 | 2718.26 | 684.764 | 994.532 | 953.914 | 109.306 | 20.7264 | 39.1946 | 5.98986 | 34.0791 | 47.3415 | 2565.63
100 | Lornoxicam | 371.821 | 2 | 7 | 1.82317 | 99.6 | 374.551 | 35.404 | -4.37192 | 33 | 0 | 0 | 0 | 0 | 0 | 515.889 | 1.13333 | 16.7757 | 10.8194 | 17.8112 | 6.71884 | 5.23498 | 10.8194 | 1115 | 33 | 0.789174 | 0.185731 | -0.00678392 | -0.318529 | 0.371947 | -0.132856 | 0.47418 | -0.224371 | -0.0330194 | 0.0544145 | -0.00916023 | -0.0103516 | -0.105634 | 1.77939 | -1.10388 | 0.52009 | -0.0328617 | -0.918198 | 1.04019 | -0.614995 | 3111.53 | 926.628 | 1254.15 | 1102.19 | 355.506 | 95.4607 | 164.966 | 351.625 | 216.584 | 28.9852 | 2464.45
100 | Lynestrenol | 284.436 | 1 | 1 | 3.97086 | 20.23 | 427.855 | 33.719 | -4.00879 | 49 | 0 | 0 | 0 | 0 | 6 | 500.031 | 1.35294 | 14.6649 | 10.0893 | 14.5833 | 5 | 3.34711 | 10.0893 | 812 | 49 | 0.279751 | 0.0064804 | 0.106713 | -0.159297 | 0.0213332 | 0.00633484 | 0.000107671 | -5.38353e-05 | 2.24648e-17 | 5.9052e-18 | 3.24407e-17 | -4.53679e-17 | 4.37185e-17 | 0.279315 | -0.146225 | 0.00925798 | 0.10358 | -0.159487 | 0.0222257 | 0.00627936 | 2912.94 | 137.113 | 18.9205 | 0 | 11.6615 | 0 | 0 | 0 | 0 | 0 | 2645.35
100 | Meclofenamic_acid | 296.148 | 2 | 3 | 4.80061 | 49.33 | 343.809 | 30.908 | -5.38324 | 30 | 0 | 0 | 0 | 0 | 0 | 326.568 | 1 | 13.9912 | 9.00291 | 15.39 | 6.6352 | 5.12 | 9.00291 | 682 | 30 | 0.536823 | 0.045596 | 0.000137794 | 0.226609 | -0.217915 | -0.124704 | 0.0847427 | -0.0182387 | -0.00972982 | -0.00192856 | -0.00919252 | -0.0206814 | 0.0206434 | 0.634152 | -0.432261 | 0.240227 | -0.192779 | 0.256425 | -0.225495 | -0.112916 | 2401.65 | 610.169 | 840.207 | 662.478 | 112.751 | 15.4573 | 51.2764 | 66.7901 | 0 | 0 | 1966.09
100 | Megestrol_acetate | 384.508 | 0 | 4 | 3.8782 | 60.44 | 563.039 | 42.229 | -4.70974 | 60 | 0 | 0 | 0 | 0 | 6 | 775.873 | 1.35294 | 20.4828 | 13.049 | 21.2404 | 7.0173 | 4.39646 | 13.049 | 1759 | 60 | 0.541373 | 0.0657881 | 0.0554232 | -0.218088 | 0.189864 | -0.126106 | 0.0651552 | -0.0239215 | 0.00215974 | -0.00116166 | -0.0161184 | 0.0107582 | 0.0016233 | 0.84218 | -0.454334 | 0.120271 | 0.0450828 | -0.310497 | 0.32388 | -0.174187 | 4063.73 | 532.727 | 251.407 | 208.215 | 71.3918 | 18.1574 | 21.0501 | 0 | 16.0281 | 0 | 3463.89
100 | Meperidine | 247.333 | 0 | 3 | 2.60907 | 29.54 | 374.586 | 28.249 | -2.8968 | 39 | 0 | 0 | 0 | 0 | 0 | 271.053 | 1 | 13.0102 | 8.68751 | 14.41 | 6.43787 | 4.56599 | 8.68751 | 568 | 39 | 0.428313 | -0.0583001 | -0.00657481 | -0.0276476 | 0.135798 | 0.0053074 | 0.0375411 | -0.0115049 | -0.00770236 | 0.000646557 | -0.000117853 | 4.75623e-05 | -0.000139513 | 0.57132 | -0.273291 | -0.0306552 | 0.00581723 | -0.0471782 | 0.144291 | 0.0166816 | 2596.21 | 351.378 | 282.401 | 251.461 | 39.0873 | 17.6777 | 0 | 0 | 13.9293 | 0 | 1696.07
100 | [NAME] | 233.349 | 1 | 2 | 2.9777 | 23.47 | 365.379 | 28.163 | -2.99615 | 40 | 0 | 0 | 0 | 0 | 1 | 243.076 | 1 | 12.3031 | 8.16063 | 13.4321 | 5.76 | 3.72889 | 8.16063 | 474 | 40 | 0.359061 | -0.0404062 | 0.00960103 | 0.0102677 | -0.0567735 | 0.0745065 | 0.00351909 | -0.000594939 | -0.000316682 | -0.000292346 | -0.000555577 | -1.51665e-17 | 9.342e-17 | 0.34181 | -0.147899 | -0.0130145 | -0.00815443 | 0.0248467 | -0.0676615 | 0.0639595 | 2438.48 | 229.883 | 254.818 | 18.8661 | 20.0729 | 0 | 0 | 0 | 0 | 6.87039 | 1826.32
100 | Methsuximide | 203.237 | 0 | 3 | 1.37203 | 37.38 | 284.714 | 22.319 | -2.09955 | 28 | 0 | 0 | 0 | 0 | 1 | 293.997 | 1 | 11.052 | 7.05437 | 11.4844 | 4.10764 | 3.2256 | 7.05437 | 332 | 28 | 0.339194 | 0.104119 | -0.117445 | 0.0270916 | 0.0338376 | 0.000119513 | 0.12821 | -0.00120365 | -0.0621096 | -0.0382902 | 0.037915 | -0.000136248 | -4.7642e-05 | 0.678886 | -0.280105 | 0.102163 | -0.298986 | 0.120953 | 0.0470035 | 0.0112062 | 2093.06 | 428.517 | 353.667 | 348.733 | 50.9564 | 35.3572 | 0 | 10.2858 | 0 | 0 | 1309.35
100 | Methylergonovine | 339.432 | 3 | 5 | 1.24187 | 68.36 | 441.606 | 40.078 | -2.96331 | 50 | 0 | 0 | 0 | 0 | 3 | 537.279 | 1.4375 | 17.5517 | 12.1177 | 18.3673 | 7.55265 | 5.7363 | 12.1177 | 1430 | 50 | 0.715845 | -0.0665127 | 0.0963149 | -0.0862561 | 0.180463 | -0.163929 | 0.134941 | -0.00511009 | -0.0575152 | -9.29404e-05 | -0.00427789 | -0.00710118 | -0.00750672 | 0.796035 | -0.36194 | -0.0297725 | 0.0370995 | -0.0746311 | 0.157447 | -0.209274 | 3377.88 | 435.694 | 503.825 | 262.091 | 49.0426 | 12.5263 | 13.3799 | 12.179 | 15.1437 | 0 | 3013.45
100 | Methysergide | 353.458 | 2 | 5 | 1.55657 | 57.5 | 470.429 | 41.913 | -3.08215 | 53 | 0 | 0 | 0 | 0 | 3 | 565.705 | 1.4375 | 18.4219 | 12.5284 | 19.3222 | 7.78799 | 5.75 | 12.5284 | 1586 | 53 | 0.687986 | -0.113109 | 0.100538 | -0.0803 | 0.163055 | -0.113532 | 0.134898 | -0.00525217 | -0.0573978 | -8.03233e-05 | -0.00425418 | -0.00707698 | -0.00751804 | 0.773273 | -0.342408 | -0.0490268 | 0.065937 | -0.0865674 | 0.139325 | -0.160287 | 3546.23 | 435.68 | 503.819 | 262.096 | 49.0456 | 12.5263 | 13.3799 | 12.179 | 15.1446 | 0 | 3196.58
100 | [NAME] | 325.767 | 0 | 3 | 3.99872 | 29.66 | 357.281 | 36.178 | -5.37899 | 36 | 0 | 0 | 0 | 0 | 0 | 465.479 | 1.2 | 15.9743 | 11.1479 | 16.4675 | 6.71884 | 4.75933 | 11.1479 | 1035 | 36 | 0.379145 | 0.00402904 | -0.0513459 | 0.0068927 | 0.0689772 | -0.0708385 | 0.219504 | -0.0205322 | -0.0559154 | -0.0566934 | 0.0462599 | -0.019009 | 0.00929356 | 0.597147 | -0.217418 | -0.0208138 | -0.168338 | 0.247851 | -0.0408727 | -0.180088 | 2740.85 | 696.438 | 1051.63 | 974.118 | 69.2796 | 4.99643 | 3.73555 | 6.35957 | 25.1858 | 18.0635 | 2706.94
100 | Nalbuphine | 357.443 | 3 | 5 | 1.37297 | 73.16 | 430.55 | 37.988 | -2.78728 | 53 | 0 | 0 | 0 | 0 | 5 | 596.56 | 1.5 | 17.6814 | 12.5435 | 16.9095 | 5.9975 | 3.68 | 12.5435 | 1356 | 53 | 0.917157 | -0.225161 | 0.427664 | -0.324144 | -0.0231609 | 0.334165 | 0.00397878 | 0.000597254 | -0.00122348 | -0.000607082 | -0.000756079 | 1.05699e-16 | 7.68391e-17 | 0.869348 | -0.410525 | -0.207154 | 0.405626 | -0.309861 | -0.015045 | 0.324644 | 3459.42 | 292.746 | 325.87 | 114.595 | 61.6928 | 0 | 38.6132 | 14.6331 | 18.4791 | 33.2864 | 3103.29
100 | Nefazodone | 470.007 | 0 | 7 | 4.75698 | 51.62 | 616.895 | 51.768 | -6.41125 | 65 | 0 | 0 | 0 | 0 | 0 | 636.532 | 1 | 23.0454 | 16.1354 | 26.0741 | 13.3472 | 12.5 | 16.1354 | 4032 | 65 | 0.717559 | -0.0235604 | 0.0452978 | -0.198558 | 0.192093 | -0.0437231 | 0.259858 | -0.0351815 | -0.137004 | 0.0522535 | 0.00814491 | -0.0195037 | -0.0167399 | 1.11104 | -0.467481 | -0.0801133 | 0.0869091 | -0.33983 | 0.333639 | -0.108916 | 4533.26 | 699.598 | 806.306 | 302.413 | 136.474 | 65.3826 | 34.1173 | 29.9084 | 44.332 | 12.886 | 3029.57
100 | Nicorandil | 211.175 | 1 | 7 | 0.429977 | 97.04 | 276.871 | 19.281 | -1.47495 | 24 | 0 | 0 | 0 | 0 | 0 | 223.854 | 1 | 11.096 | 7.19838 | 13.0667 | 7.30247 | 7.875 | 7.19838 | 444 | 24 | 0.49137 | 0.0708606 | 0.0521734 | -0.0686582 | 0.112608 | -0.19584 | 0.590201 | -0.33705 | 0.0599723 | -0.0242757 | 0.0761652 | -0.0298007 | -0.178055 | 1.63119 | -1.13621 | 0.506305 | -0.089789 | -0.0881848 | 0.394025 | -0.841021 | 2385.09 | 703.905 | 513.122 | 314.499 | 89.9756 | 67.4485 | 24.3159 | 12.022 | 46.6052 | 0 | 807.121
100 | Nicotine | 162.232 | 0 | 2 | 1.11112 | 16.13 | 240.509 | 19.477 | -1.66564 | 26 | 0 | 0 | 0 | 0 | 1 | 146.774 | 1 | 8.38891 | 5.87701 | 8.59172 | 3.80623 | 4.59184 | 5.87701 | 191 | 26 | 0.193102 | -0.0844242 | -0.0125849 | 0.0583623 | -0.0117523 | -0.0591007 | 0.0182823 | -0.0105329 | 0.00512767 | -0.00373599 | -1.54412e-16 | -1.5227e-17 | 2.40898e-18 | 0.272355 | -0.0649559 | -0.0818601 | -0.0361641 | 0.0877898 | -0.00716677 | -0.0869475 | 1645.84 | 233.027 | 234.401 | 10.1384 | 5.76687 | 0 | 0 | 2.8834 | 0 | 0 | 1030.91
100 | Nilvadipine | 385.371 | 1 | 9 | 2.38054 | 134.24 | 513.878 | 38.048 | -4.15614 | 47 | 0 | 0 | 0 | 0 | 1 | 726.398 | 1 | 21.0077 | 13.2048 | 24.2711 | 10.8578 | 7.33507 | 13.2048 | 1814 | 47 | 0.835578 | 0.120355 | -0.210704 | 0.389681 | -0.267483 | 0.125959 | 0.772379 | -0.365872 | 0.10858 | -0.0289503 | -0.146238 | -0.0650611 | 0.251143 | 2.18282 | -1.30089 | 0.581112 | -0.139079 | -0.0680787 | -0.362392 | 0.793908 | 4160.7 | 1035.51 | 1074.97 | 1611.45 | 127.195 | 42.5385 | 13.5419 | 87.5838 | 19.4119 | 61.3005 | 2362.58
100 | Nitroxoline | 190.156 | 1 | 5 | 1.61125 | 78.94 | 218.717 | 19.609 | -2.28759 | 20 | 0 | 0 | 0 | 0 | 0 | 228.587 | 1.2 | 10.1294 | 6.69838 | 10.5156 | 4.2449 | 3.27273 | 6.69838 | 274 | 20 | 0.386742 | -0.0608559 | 0.135411 | -0.119436 | -0.0281712 | 0.128936 | 0.460661 | -0.311675 | 0.0899999 | 0.00627001 | -0.0606591 | 0.101271 | -0.0555374 | 1.17019 | -0.680831 | 0.0478315 | 0.235908 | -0.330844 | -0.00161767 | 0.384597 | 1942.64 | 685.758 | 824.137 | 508.62 | 46.1557 | 12.6299 | 7.29394 | 0 | 12.2439 | 30.0955 | 1128.03
100 | Norethindrone | 298.419 | 1 | 2 | 3.13977 | 37.3 | 431.328 | 33.805 | -3.59647 | 48 | 0 | 0 | 0 | 0 | 6 | 570.319 | 1.35294 | 15.5352 | 10.4831 | 15.5232 | 5.25 | 3.59168 | 10.4831 | 941 | 48 | 0.371742 | 0.0158664 | 0.102139 | -0.159202 | 0.0180167 | 0.0177791 | 0.0194891 | -0.00904131 | 0.00650707 | -0.00721033 | -5.53792e-16 | 7.63743e-16 | -3.52511e-16 | 0.458745 | -0.244868 | 0.0494344 | 0.0732263 | -0.155463 | 0.0201589 | 0.0251964 | 3048.25 | 258.686 | 104.879 | 0 | 27.3148 | 0 | 0 | 0 | 0 | 0 | 2647.77
100 | Norgestimate | 369.497 | 1 | 4 | 4.65717 | 58.89 | 536.976 | 40.881 | -4.99812 | 58 | 0 | 0 | 0 | 0 | 6 | 706.72 | 1.35294 | 19.2338 | 12.9983 | 20.28 | 7.67958 | 4.77551 | 12.9983 | 1687 | 58 | 0.530116 | 0.0618951 | 0.0338167 | -0.109174 | 0.0338801 | -0.0372948 | 0.0572119 | -0.0234125 | -0.00259327 | -0.00600128 | 0.00468359 | -0.00128247 | -1.36426e-15 | 0.679433 | -0.362778 | 0.104452 | -0.0227546 | -0.121699 | 0.0931881 | -0.04499 | 3854.57 | 443.1 | 219.321 | 47.3654 | 77.6056 | 18.3804 | 0 | 0 | 0 | 0 | 3190.97
100 | Nortriptyline | 263.377 | 1 | 1 | 4.68283 | 12.03 | 372.753 | 34.412 | -4.90134 | 41 | 0 | 0 | 0 | 0 | 0 | 301.304 | 1.26667 | 13.7862 | 9.89818 | 14.9174 | 7.31986 | 4.76471 | 9.89818 | 759 | 41 | 0.193059 | -0.0751303 | 0.0338616 | -0.0121032 | -0.016762 | 0.0289267 | 0.0003007 | -7.23588e-05 | -0.000128716 | 8.42886e-05 | -5.09991e-05 | 1.94869e-05 | -2.32965e-06 | 0.191693 | -0.0383826 | -0.0721548 | 0.0291789 | -0.0139742 | -0.0122887 | 0.0271285 | 2534.61 | 441.455 | 594.501 | 426.16 | 2.38291 | 0 | 0 | 0 | 0 | 0 | 2469.81
100 | Ofloxacin | 361.368 | 1 | 7 | 2.20958 | 73.32 | 420.536 | 36.688 | -3.84831 | 46 | 0 | 0 | 0 | 0 | 1 | 615.761 | 1.26316 | 18.5851 | 12.3799 | 19.3222 | 7.43802 | 5.09343 | 12.3799 | 1484 | 46 | 0.995356 | -0.241152 | -0.083596 | 0.407704 | -0.133477 | -0.213983 | 0.250741 | -0.0267329 | 0.0424431 | -0.0967817 | -0.00239848 | -0.0166605 | -0.00531674 | 1.29708 | -0.613012 | 0.273283 | -0.540948 | 0.384938 | -0.0674972 | -0.152345 | 3594.18 | 616.094 | 899.899 | 588.901 | 131.433 | 13.842 | 67.2899 | 122.668 | 51.9831 | 24.7862 | 2646.97
100 | Ondansetron | 293.363 | 0 | 4 | 2.5076 | 39.82 | 367.168 | 34.81 | -3.96605 | 41 | 0 | 0 | 0 | 0 | 1 | 440.048 | 1.22222 | 15.2672 | 10.6647 | 15.5232 | 6.13587 | 5.26316 | 10.6647 | 997 | 41 | 0.462029 | -0.0513134 | -0.134919 | 0.123542 | -0.0503832 | 0.11596 | 0.235326 | 0.00392269 | -0.0937513 | 0.0253141 | -0.119497 | 0.00414261 | 0.135786 | 0.529667 | -0.177462 | 0.0339684 | -0.075038 | -0.0557798 | -0.062438 | 0.162351 | 2880.22 | 504.208 | 591.864 | 382.04 | 35.3149 | 4.52399 | 0 | 22.7792 | 0 | 15.3147 | 2472.37
100 | Orphenadrine | 269.381 | 0 | 2 | 3.6024 | 12.47 | 412.019 | 33.092 | -3.66534 | 43 | 0 | 0 | 0 | 0 | 1 | 260.144 | 1 | 14.372 | 9.68154 | 16.3719 | 8.44444 | 7.55556 | 9.68154 | 825 | 43 | 0.325318 | -0.193884 | 0.110806 | 0.0690957 | -0.123083 | 0.0173264 | 0.000207614 | -0.000134635 | 0.000112769 | -0.000108424 | 2.80287e-05 | -1.58494e-05 | 1.50349e-05 | 0.324611 | -0.0582272 | -0.18713 | 0.106118 | 0.0687445 | -0.120978 | 0.0143096 | 2692.28 | 391.364 | 446.003 | 371.674 | 15.0221 | 0 | 5.75039 | 0 | 0 | 0 | 1897.22
100 | Oxcarbazepine | 252.268 | 2 | 4 | 1.49456 | 63.4 | 302.204 | 29.039 | -3.01704 | 31 | 0 | 0 | 0 | 0 | 0 | 382.342 | 1.26667 | 13.4054 | 9.18154 | 13.9592 | 5.78 | 3.55556 | 9.18154 | 593 | 31 | 0.471469 | 0.27062 | -0.228157 | 0.128736 | -0.0819941 | 0.097188 | 0.194655 | -0.000278068 | -0.0891204 | -0.0165453 | 0.0125318 | -0.0372953 | 0.0333557 | 0.838358 | -0.444929 | 0.248963 | -0.396859 | 0.311691 | -0.247493 | 0.255705 | 2429.28 | 629.308 | 856.377 | 956.441 | 75.2619 | 48.8059 | 0 | 24.2148 | 0 | 24.8399 | 2075.57
100 | Oxybutynin | 357.486 | 1 | 4 | 4.2969 | 49.77 | 550.111 | 40.627 | -4.20949 | 57 | 0 | 0 | 0 | 0 | 1 | 473.202 | 1 | 18.8302 | 12.6236 | 22.2908 | 11.7551 | 8.28 | 12.6236 | 1833 | 57 | 0.679084 | -0.186588 | 0.30354 | -0.13245 | 0.0708622 | -0.0828631 | 0.03672 | -0.0111896 | -0.00809887 | 0.000883151 | 0.00079189 | -0.000478397 | -0.000280671 | 0.824822 | -0.409649 | -0.194959 | 0.333276 | -0.152209 | 0.0924975 | -0.114331 | 3771.36 | 427.552 | 373.268 | 337.714 | 52.9206 | 18.4336 | 29.7126 | 0 | 8.5014 | 0 | 2313.27
100 | Oxyphenbutazone | 324.374 | 1 | 5 | 3.27058 | 60.85 | 425.754 | 37.016 | -4.3896 | 44 | 0 | 0 | 0 | 0 | 1 | 453.528 | 1 | 17.1041 | 11.6302 | 18.7811 | 8.58951 | 6.68245 | 11.6302 | 1259 | 44 | 0.604217 | 0.0340969 | -0.0762289 | -0.0690038 | 0.191082 | -0.00688357 | 0.27647 | 0.0799365 | -0.122254 | -0.225373 | 0.0550549 | 0.044391 | 0.0324247 | 1.01595 | -0.295468 | 0.0115898 | -0.571876 | 0.17193 | 0.298436 | -0.0738179 | 3254.4 | 685.739 | 955.581 | 883.824 | 133.859 | 39.9951 | 39.9948 | 7.93356 | 29.3666 | 29.4877 | 2434.67
100 | Paroxetine | 329.365 | 1 | 4 | 3.5633 | 39.72 | 401.981 | 34.562 | -4.49141 | 44 | 0 | 0 | 0 | 0 | 2 | 402.073 | 1.09524 | 16.3552 | 11.7928 | 17.4156 | 8.13148 | 8.29714 | 11.7928 | 1445 | 44 | 0.700571 | -0.0569226 | -0.087668 | 0.0955925 | 0.108749 | -0.0868994 | 0.00944085 | -0.000545135 | -0.00192488 | -0.00317586 | -0.000568518 | 0.00140499 | -0.000533712 | 0.631136 | -0.305012 | -0.00906387 | -0.0703114 | 0.0633382 | 0.0754054 | -0.0304918 | 3131.92 | 541.084 | 694.66 | 177.131 | 88.1059 | 21.564 | 0 | 26.8693 | 20.0441 | 0 | 2090.35
100 | Pentobarbital | 226.272 | 2 | 5 | 2.05625 | 75.27 | 345.373 | 23.397 | -2.66534 | 34 | 0 | 0 | 0 | 0 | 1 | 305.191 | 1 | 12.3449 | 7.48443 | 14.0625 | 5.55766 | 3.02973 | 7.48443 | 398 | 34 | 0.569536 | 0.448918 | -0.597808 | 0.482813 | -0.248399 | 0.149516 | 0.259439 | 0.0056024 | -0.109401 | -0.106732 | 0.0808106 | -1.8947e-15 | 2.64e-15 | 1.18694 | -0.525538 | 0.495149 | -1.25655 | 0.917618 | -0.303419 | 0.204969 | 2582.66 | 361.404 | 319.43 | 0 | 86.1345 | 91.4206 | 0 | 61.2805 | 0 | 0 | 1327.68
100 | Perphenazine | 403.969 | 1 | 4 | 3.83789 | 29.95 | 500.72 | 45.593 | -5.01523 | 53 | 0 | 0 | 0 | 0 | 0 | 462.708 | 1.2 | 18.6396 | 13.2415 | 20.28 | 9.66686 | 8.09951 | 13.2415 | 2000 | 53 | 0.554819 | -0.210004 | 0.112751 | 0.0283314 | -0.0848521 | 0.0189766 | 0.0298715 | 0.00268287 | -0.0136456 | -0.00545771 | -0.00158188 | 0.000984237 | 0.00240391 | 0.506474 | -0.170426 | -0.175237 | 0.102333 | 0.000509766 | -0.0919761 | 0.0833255 | 3518.34 | 472.241 | 724.194 | 388.297 | 98.2083 | 0 | 34.5264 | 33.0839 | 29.9233 | 5.46873 | 3242.21
100 | Phenglutarimide | 288.385 | 1 | 4 | 2.20983 | 49.41 | 432.25 | 32.845 | -2.90916 | 45 | 0 | 0 | 0 | 0 | 1 | 372.986 | 1 | 15.2947 | 10.1194 | 17.3554 | 8.02222 | 5.60554 | 10.1194 | 892 | 45 | 0.463571 | 0.131525 | -0.192544 | -0.00929849 | 0.137876 | -0.0578058 | 0.128747 | -0.00131557 | -0.0621508 | -0.0382079 | 0.0368296 | 0.000984005 | -0.000242255 | 0.799539 | -0.310851 | 0.12468 | -0.401607 | 0.0806117 | 0.139934 | -0.0592002 | 3066.6 | 430.412 | 352.497 | 343.973 | 52.811 | 34.8041 | 0 | 10.2451 | 14.3648 | 0 | 2041.11
100 | Phenindione | 222.239 | 0 | 2 | 2.67379 | 34.14 | 271.654 | 24.997 | -3.31975 | 27 | 0 | 0 | 0 | 0 | 0 | 303.814 | 1.13333 | 11.8281 | 8.28769 | 12.0554 | 4.93827 | 4 | 8.28769 | 473 | 27 | 0.294409 | -0.0832442 | -0.171473 | 0.191213 | 0.0512677 | -0.0378888 | 0.020351 | -0.00853424 | 0.00457204 | -0.00673355 | 0.00289878 | -0.00233758 | -0.00015578 | 0.437906 | -0.111083 | -0.0742613 | -0.241942 | 0.266671 | 0.0407613 | -0.0559507 | 2074.79 | 622.729 | 725.701 | 695.229 | 35.1774 | 0 | 0 | 17.5887 | 0 | 0 | 1533.58
100 | Piroxicam | 331.348 | 2 | 7 | 2.65148 | 99.6 | 368.021 | 34.798 | -4.65678 | 36 | 0 | 0 | 0 | 0 | 0 | 493.587 | 1.125 | 16.6125 | 10.9256 | 17.8112 | 7.08692 | 4.98866 | 10.9256 | 1116 | 36 | 0.760472 | 0.129054 | -0.0109333 | -0.0879766 | 0.142793 | -0.0377168 | 0.448003 | -0.206164 | -0.0291784 | 0.0204979 | 0.00754424 | 0.00251692 | -0.108268 | 1.72625 | -1.06538 | 0.421287 | -0.12114 | -0.508008 | 0.779857 | -0.539363 | 3148.78 | 957.542 | 1323 | 1148.11 | 289.971 | 64.4765 | 55.0284 | 208.105 | 89.2337 | 28.9873 | 2430.38
100 | Polythiazide | 439.885 | 3 | 7 | 2.24665 | 109.57 | 428.798 | 36.217 | -5.16597 | 38 | 0 | 0 | 0 | 0 | 1 | 491.223 | 1.2 | 19.2067 | 11.232 | 21.3018 | 7.19728 | 6.28231 | 11.232 | 1486 | 38 | 0.88839 | 0.291594 | -0.0749491 | 0.116972 | -0.839286 | 1.25649 | 0.645338 | -0.462326 | 0.17362 | -0.0631395 | 0.257829 | -0.398687 | 0.170036 | 2.29532 | -1.80723 | 1.09526 | -0.422525 | 0.818701 | -2.31822 | 2.52788 | 3760.47 | 963.469 | 1093.06 | 986.406 | 597.734 | 157.616 | 242.991 | 364.812 | 446.228 | 307.604 | 2704.69
100 | Probenecid | 285.36 | 1 | 5 | 2.28444 | 74.68 | 388.839 | 29.627 | -3.10427 | 38 | 0 | 0 | 0 | 0 | 0 | 284.368 | 1 | 14.4663 | 8.92909 | 17.0526 | 7.69527 | 5.47919 | 8.92909 | 728 | 38 | 0.589441 | 0.139786 | 0.12344 | -0.0168761 | -0.0959275 | -0.32134 | 0.349642 | -0.215506 | 0.0485629 | 0.0121024 | -0.025866 | 0.046332 | -0.0979059 | 1.45152 | -1.08162 | 0.406812 | 0.163157 | -0.0333301 | 0.0854635 | -0.976752 | 2971.73 | 661.839 | 770.493 | 274.128 | 260.36 | 52.1055 | 0 | 0 | 0 | 112.98 | 1797.34
100 | Procarbazine | 221.299 | 3 | 4 | 2.57425 | 53.16 | 343.674 | 25.709 | -2.92833 | 35 | 0 | 0 | 0 | 0 | 0 | 210.309 | 1 | 11.9663 | 7.63023 | 14.0625 | 7.35 | 7.05817 | 7.63023 | 511 | 35 | 0.430295 | -0.0343732 | -0.0171398 | 0.108638 | -0.0920221 | -0.085701 | 0.0645927 | -0.0132035 | -0.0137929 | -0.00447523 | 0.000928287 | -0.00175303 | -2.40969e-16 | 0.593737 | -0.268602 | 4.2948e-05 | -0.0550593 | 0.145934 | -0.143102 | -0.0898576 | 2365.81 | 315.76 | 371.354 | 101.294 | 33.4107 | 12.052 | 0 | 0 | 0 | 0 | 1268.16
100 | Propofol | 178.271 | 1 | 1 | 3.9921 | 20.23 | 300.838 | 22.081 | -3.24212 | 31 | 0 | 0 | 0 | 0 | 0 | 135.203 | 1 | 10.0081 | 6.03658 | 11.0769 | 4.48148 | 3.3241 | 6.03658 | 234 | 31 | 0.259414 | 0.012392 | 0.0396651 | 0.0381454 | -0.157775 | 0.0711999 | 0.00303515 | -0.000292864 | -0.000434912 | -0.000256047 | -0.00053375 | -1.15863e-17 | -1.04126e-18 | 0.240045 | -0.143184 | 0.0339795 | 0.0135416 | 0.0507423 | -0.159341 | 0.071602 | 1891.54 | 227.139 | 255.13 | 0 | 17.3781 | 0 | 0 | 0 | 0 | 0 | 1203.42
100 | Proxyphylline | 238.243 | 1 | 7 | -0.669529 | 78.67 | 302.583 | 24.102 | -0.876064 | 31 | 0 | 0 | 0 | 0 | 1 | 348.443 | 1.22222 | 12.7401 | 7.93043 | 13.4321 | 4.93827 | 3.72889 | 7.93043 | 473 | 31 | 0.79894 | 0.132751 | 0.0986218 | -0.11818 | -0.115121 | 0.338445 | 0.389982 | -0.0415498 | -0.170032 | -0.0691885 | 0.196087 | -0.110307 | 5.69805e-16 | 1.3667 | -0.692528 | 0.329081 | -0.674583 | 0.480678 | -0.114753 | 0.21193 | 2545.74 | 402.732 | 537.231 | 126.808 | 92.8374 | 79.047 | 54.3151 | 33.0121 | 12.0627 | 43.518 | 1377.34
100 | Pseudoephedrine | 165.232 | 2 | 2 | 1.38951 | 32.26 | 264.209 | 19.762 | -1.43364 | 27 | 0 | 0 | 0 | 0 | 2 | 121.007 | 1 | 8.97469 | 5.75322 | 10.0833 | 4.88889 | 4 | 5.75322 | 202 | 27 | 0.353119 | -0.0909324 | 0.15921 | -0.0876807 | -0.0154579 | -0.0121753 | 2.42447e-05 | -4.06756e-06 | -2.50537e-06 | -5.54943e-06 | -8.03674e-18 | -2.0832e-19 | 9.15868e-19 | 0.352787 | -0.158077 | -0.0895593 | 0.159352 | -0.0889621 | -0.0162167 | -0.0119129 | 1700.46 | 201.708 | 206.657 | 36.343 | 13.5452 | 0 | 5.24353 | 0 | 0 | 0 | 967.183
100 | Pyrazinamide | 123.113 | 2 | 4 | 0.435648 | 68.87 | 160.802 | 12.414 | -0.982049 | 14 | 0 | 0 | 0 | 0 | 0 | 114.771 | 1 | 6.69023 | 4.30453 | 7.11111 | 3.23967 | 3.55556 | 4.30453 | 88 | 14 | 0.419489 | -0.0623784 | 0.0731541 | 0.076973 | -0.075896 | -0.0108193 | 0.0807523 | -0.0198517 | -0.034668 | 0.0109673 | 0.00934172 | -0.00616547 | 3.3183e-17 | 0.700832 | -0.327557 | -0.157754 | 0.0965212 | 0.152521 | -0.132182 | -0.00323856 | 1259.35 | 394.819 | 458.098 | 72.282 | 33.4809 | 12.6066 | 18.3252 | 13.6595 | 0 | 0 | 450.872
100 | Remoxipride | 371.269 | 1 | 5 | 2.84369 | 50.8 | 454.832 | 34.824 | -3.54851 | 45 | 0 | 0 | 0 | 0 | 1 | 369.3 | 1 | 16.1125 | 10.6169 | 18.3403 | 8.74089 | 6.57439 | 10.6169 | 1080 | 45 | 0.704347 | -0.117967 | -0.237974 | 0.438925 | 0.00444272 | -0.379592 | 0.0852344 | -0.025388 | -0.00303271 | -0.0120758 | 0.0017835 | -0.00390419 | 3.73125e-16 | 0.84146 | -0.387248 | 0.103392 | -0.490808 | 0.487874 | 0.134044 | -0.435254 | 3164.36 | 413.318 | 544.213 | 176.264 | 84.8544 | 11.4147 | 26.2731 | 78.4346 | 55.0308 | 0 | 1971.8
100 | Repaglinide | 452.586 | 2 | 6 | 5.88522 | 78.87 | 650.309 | 51.245 | -6.60323 | 69 | 1 | 1 | 1 | 1 | 1 | 619.243 | 1 | 23.7943 | 15.8842 | 27.5853 | 13.9212 | 11.52 | 15.8842 | 3368 | 69 | 0.901914 | 0.146654 | -0.295497 | 0.515379 | -0.554299 | 0.432341 | 0.12665 | -0.0315274 | -0.0203807 | -0.0170526 | 0.0232627 | -0.0168536 | 0.0112554 | 1.17661 | -0.697252 | 0.378189 | -0.566317 | 0.692944 | -0.718552 | 0.676177 | 4709.61 | 700.892 | 779.534 | 539.72 | 92.3256 | 28.4851 | 0 | 50.6216 | 0 | 42.7249 | 3254.38
100 | Salsalate | 258.226 | 2 | 5 | 3.73754 | 83.83 | 311.823 | 26.028 | -4.18519 | 29 | 0 | 0 | 0 | 0 | 0 | 335.374 | 1 | 13.8281 | 9.09222 | 15.39 | 7.1358 | 5.87755 | 9.09222 | 714 | 29 | 0.887409 | 0.172225 | -0.287167 | 0.622631 | -0.528472 | 0.173687 | 0.0995246 | -0.0327769 | 0.00309195 | -0.0231674 | 0.0241844 | -0.051775 | 0.0422603 | 1.16369 | -0.791438 | 0.455365 | -0.599 | 0.865592 | -0.810312 | 0.444219 | 2523.55 | 738.846 | 995.588 | 775.824 | 94.7523 | 35.8628 | 0 | 83.7444 | 0 | 28.5734 | 1357
100 | Selegiline | 187.281 | 0 | 1 | 2.6874 | 3.24 | 316.013 | 23.526 | -2.53109 | 31 | 0 | 0 | 0 | 0 | 1 | 190.026 | 1 | 10.3889 | 6.73638 | 12.0714 | 6.47751 | 6.1875 | 6.73638 | 337 | 31 | 0.174974 | -0.0655901 | -0.00538291 | 0.0142065 | -0.00157782 | -0.026271 | 2.35157e-05 | -1.32084e-05 | 2.40162e-06 | -9.51026e-07 | 2.63989e-17 | -4.82282e-06 | 1.07227e-05 | 0.174869 | -0.0265996 | -0.0649275 | -0.00662523 | 0.0147636 | -0.00179713 | -0.0259149 | 1933.22 | 253.916 | 197.868 | 50.8023 | 3.03322 | 0 | 0 | 0 | 0 | 0 | 1184.63
100 | Sudoxicam | 337.376 | 2 | 7 | 1.72936 | 99.6 | 353.149 | 33.476 | -4.06026 | 33 | 0 | 0 | 0 | 0 | 0 | 482.413 | 1.13333 | 15.9054 | 10.4256 | 16.8438 | 6.48148 | 4.99671 | 10.4256 | 970 | 33 | 0.769436 | 0.180218 | -0.0438743 | -0.0908994 | 0.172701 | -0.0645722 | 0.490664 | -0.190743 | -0.0529951 | -0.00851536 | 0.0165251 | 0.0597145 | -0.147708 | 1.80005 | -1.09109 | 0.41781 | -0.133604 | -0.54005 | 0.898901 | -0.680993 | 3016.59 | 893.516 | 1221.46 | 1081.65 | 330.079 | 105.365 | 57.1385 | 234.037 | 118.129 | 132.492 | 2331.21
100 | Sulfamethoxazole | 253.279 | 3 | 6 | 0.68975 | 98.22 | 289.968 | 25.607 | -2.82896 | 28 | 0 | 0 | 0 | 0 | 0 | 259.181 | 1 | 12.4663 | 7.97116 | 13.4321 | 5.32544 | 6.47934 | 7.97116 | 535 | 28 | 0.549069 | 0.196877 | -0.107566 | -0.0985371 | -0.0661234 | 0.351652 | 0.417693 | -0.237923 | 0.0376164 | -0.183622 | 0.289255 | -0.08382 | -0.00502318 | 1.24304 | -0.876891 | 0.611305 | -0.648564 | 0.439355 | -0.349441 | 0.579623 | 2493.85 | 664.995 | 865.901 | 526.456 | 289.624 | 51.6432 | 58.6277 | 100.697 | 92.4638 | 40.6407 | 1477.98
100 | Sulfinpyrazone | 404.483 | 0 | 5 | 2.39269 | 57.69 | 492.977 | 46.006 | -4.9097 | 49 | 0 | 0 | 0 | 0 | 0 | 532.47 | 1 | 20.217 | 14.1647 | 22.2031 | 10.5434 | 8.56858 | 14.1647 | 2231 | 49 | 0.485201 | -0.0350771 | -0.000246395 | -0.0132064 | -0.171956 | 0.136496 | 2.48406 | 0.980435 | -0.125108 | -0.215728 | 0.244314 | 0.210896 | 0.0792828 | 2.95587 | 0.52379 | -0.0626332 | -0.332997 | 1.27439 | -0.454734 | -0.216742 | 3755.76 | 1643.54 | 1419.19 | 1869.63 | 411.177 | 40.2335 | 40.2335 | 7.98646 | 0 | 340.942 | 3212
100 | Tamoxifen | 371.515 | 0 | 2 | 7.07551 | 12.47 | 544.176 | 48.406 | -7.04707 | 57 | 1 | 1 | 1 | 1 | 0 | 457.053 | 1 | 19.7694 | 13.6859 | 22.68 | 12 | 10.0535 | 13.6859 | 2141 | 57 | 0.365796 | -0.149623 | 0.067495 | 0.00075103 | -0.0257879 | -0.020826 | 0.00365932 | -0.000506097 | -0.000290116 | 5.83644e-05 | -0.000696201 | -0.000163362 | -0.000155285 | 0.347842 | -0.0809125 | -0.123888 | 0.0583138 | -0.00438618 | -0.00361218 | -0.0214711 | 3615.69 | 670.393 | 943.777 | 957.858 | 21.6291 | 0 | 7.13205 | 0 | 0 | 0 | 3408.73
100 | Tenoxicam | 337.376 | 2 | 7 | 1.57948 | 99.6 | 353.149 | 33.476 | -3.9565 | 33 | 0 | 0 | 0 | 0 | 0 | 476.692 | 1.13333 | 15.9054 | 10.4256 | 16.8438 | 6.48148 | 4.99671 | 10.4256 | 988 | 33 | 0.771814 | 0.12013 | -0.00528355 | -0.128433 | 0.14992 | 0.00931315 | 0.472412 | -0.224425 | -0.0238124 | 0.0485663 | -0.0199967 | -0.00086707 | -0.109092 | 1.76155 | -1.08003 | 0.46402 | -0.111644 | -0.613988 | 0.775227 | -0.474722 | 3013.97 | 891.266 | 1217.87 | 913.742 | 322.434 | 62.622 | 161.152 | 272.56 | 130.948 | 28.9919 | 2301.57
100 | Terfenadine | 471.673 | 2 | 3 | 7.0752 | 43.7 | 701.308 | 57.295 | -7.41764 | 76 | 1 | 1 | 1 | 1 | 1 | 581.543 | 1 | 24.8907 | 16.7809 | 28.0194 | 12.6975 | 10.3496 | 16.7809 | 4424 | 76 | 0.61034 | -0.0587657 | 0.0877543 | -0.159379 | 0.0982333 | -0.00948107 | 8.18667e-05 | -1.70039e-05 | 1.8422e-05 | -3.53782e-05 | -1.2374e-05 | -1.20908e-05 | 9.12928e-06 | 0.609224 | -0.257262 | -0.0531053 | 0.0842599 | -0.161327 | 0.100339 | -0.0108754 | 4686.51 | 589.698 | 651.415 | 409.441 | 25.2098 | 0 | 0 | 0 | 11.1533 | 0 | 3890.72
100 | Tesaglitazar | 408.466 | 1 | 7 | 3.08384 | 99.13 | 532.029 | 41.682 | -4.4175 | 52 | 0 | 1 | 0 | 1 | 1 | 457.471 | 1 | 20.5707 | 13.2642 | 24.2711 | 12 | 13.0401 | 13.2642 | 2693 | 52 | 0.968927 | 0.104582 | -0.0046091 | -0.0492156 | 0.150335 | -0.275494 | 0.322716 | -0.182838 | 0.0310788 | -0.0314472 | 0.0256571 | -0.016995 | 0.0133258 | 1.77548 | -1.18004 | 0.451663 | -0.173439 | 0.00427566 | 0.177772 | -0.233773 | 4097.92 | 945.846 | 851.049 | 723.502 | 313.732 | 72.6513 | 29.1843 | 0 | 0 | 0 | 2275.81
100 | Testosterone | 288.424 | 1 | 2 | 3.5347 | 37.3 | 423.343 | 33.074 | -3.82585 | 49 | 0 | 0 | 0 | 0 | 6 | 490.236 | 1.35294 | 14.8281 | 9.94916 | 14.5833 | 4.74688 | 3.34711 | 9.94916 | 802 | 49 | 0.34313 | 0.0061266 | 0.0423147 | -0.124799 | 0.0552849 | -0.0102777 | 0.0180344 | -0.00826868 | 0.00576745 | -0.00651597 | -1.82111e-16 | -7.52528e-17 | 2.84576e-16 | 0.428831 | -0.205931 | 0.0287241 | 0.0250068 | -0.128493 | 0.06814 | -0.0153912 | 3004.86 | 195.153 | 86.0438 | 0 | 26.5716 | 0 | 0 | 0 | 0 | 0 | 2661.64
100 | Tilidine | 271.397 | 0 | 2 | 3.68906 | 20.31 | 432.227 | 32.925 | -3.75636 | 45 | 0 | 0 | 0 | 0 | 2 | 343.572 | 1 | 14.5876 | 9.62506 | 16.3719 | 7.31986 | 4.49633 | 9.62506 | 712 | 45 | 0.276916 | -0.142342 | -0.0295384 | 0.179693 | -0.000520039 | -0.112445 | 0.00948703 | -0.00473955 | -0.000251249 | -0.000404616 | 0.00149837 | -0.000775836 | -8.4856e-05 | 0.343863 | -0.0786829 | -0.144825 | -0.0588245 | 0.216615 | 0.0125411 | -0.132141 | 2834.19 | 378.702 | 231.857 | 336.494 | 21.2858 | 0 | 0 | 7.20665 | 0 | 0 | 2197.33
100 | Tinidazole | 247.273 | 0 | 7 | 0.722162 | 97.78 | 314.102 | 23.15 | -2.30209 | 29 | 0 | 0 | 0 | 0 | 0 | 258.158 | 1 | 12.3449 | 7.37101 | 14.0625 | 5.55766 | 5.77778 | 7.37101 | 450 | 29 | 0.41331 | -0.0141838 | -0.0502199 | 0.156685 | -0.120233 | -0.045715 | 0.842857 | -0.507269 | 0.213819 | -0.0872589 | -0.0399457 | 0.123563 | -0.371033 | 1.78103 | -0.980464 | 0.230366 | -0.114665 | 0.267934 | -0.104118 | -0.734243 | 2716.42 | 721.766 | 415.55 | 520.752 | 224.023 | 28.7946 | 66.2506 | 32.8909 | 17.5133 | 98.3648 | 1268.68
100 | Tocainide | 178.231 | 0 | 3 | 1.16182 | 33.2 | 275.921 | 20.463 | -1.58012 | 27 | 0 | 0 | 0 | 0 | 0 | 161.759 | 1 | 9.6818 | 6.29122 | 11.0769 | 5.67188 | 4.15225 | 6.29122 | 252 | 27 | 0.306279 | -0.0149473 | -0.0379082 | 0.129739 | -0.0534475 | -0.045981 | 0.0858017 | -0.0285737 | 0.00370252 | -0.030157 | 0.0193552 | -0.00722794 | -1.70189e-17 | 0.558594 | -0.27431 | 0.0527548 | -0.144124 | 0.245876 | -0.124162 | -0.0466469 | 1902.32 | 350.485 | 401.242 | 71.8549 | 28.6048 | 12.3072 | 0 | 12.1376 | 0 | 0 | 964.842
100 | [NAME] | 405.959 | 0 | 2 | 6.76473 | 12.47 | 565.577 | 50.334 | -7.01157 | 57 | 1 | 1 | 1 | 1 | 0 | 477.133 | 1 | 20.4765 | 14.1859 | 23.6587 | 12.7575 | 10.7302 | 14.1859 | 2330 | 57 | 0.394058 | -0.158928 | 0.0572941 | -0.0155686 | -0.0278266 | 0.0283325 | 0.00372503 | -0.000605478 | -6.37203e-05 | -0.000243971 | -0.000227512 | -0.000345683 | -0.000323579 | 0.37636 | -0.0826965 | -0.133578 | 0.0481381 | -0.0216837 | -0.00570671 | 0.0240018 | 3699.12 | 693.625 | 943.748 | 1065.19 | 44.8554 | 0 | 7.13306 | 0 | 0 | 0 | 3564.21
100 | Triamcinolone | 394.434 | 4 | 6 | 0.257778 | 115.06 | 510.331 | 38.458 | -2.13727 | 55 | 0 | 0 | 0 | 0 | 8 | 781.348 | 1.35294 | 20.6983 | 12.9632 | 21.2404 | 6.49769 | 3.44898 | 12.9632 | 1670 | 55 | 1.14173 | -0.326257 | 0.486772 | -0.0108012 | -0.265287 | -0.0649895 | 0.0333932 | -0.0136092 | 0.0123743 | -0.0154618 | 9.53444e-16 | 1.03452e-16 | -1.82797e-16 | 1.31163 | -0.603776 | -0.320791 | 0.468713 | -0.00711289 | -0.282941 | -0.0464437 | 3927.58 | 432.059 | 275.881 | 104.018 | 95.3267 | 0 | 54.4066 | 25.621 | 22.0936 | 69.5343 | 3151.39
100 | Trifluoperazine | 407.497 | 0 | 3 | 4.8406 | 9.72 | 478.438 | 42.755 | -5.88558 | 52 | 0 | 0 | 0 | 0 | 0 | 509.615 | 1.2 | 19.7254 | 13.4148 | 21.2404 | 9.01333 | 7.98677 | 13.4148 | 2075 | 52 | 0.597872 | -0.158406 | 0.133679 | -0.0673726 | 0.00839342 | 0.00829518 | 0.0281172 | 0.0036864 | -0.0120823 | -0.00618684 | -0.00369946 | 0.00116622 | 0.00256822 | 0.551414 | -0.249456 | -0.152163 | 0.154878 | -0.0383617 | -0.0318172 | 0.0135165 | 3704.8 | 503.174 | 821.999 | 470.444 | 135.066 | 76.3729 | 28.9566 | 7.88576 | 71.0362 | 84.4038 | 3079.34
100 | Trihexyphenidyl | 301.466 | 1 | 2 | 4.40374 | 23.47 | 461.337 | 36.564 | -4.41268 | 53 | 0 | 0 | 0 | 0 | 1 | 313.669 | 1 | 15.2529 | 10.7886 | 16.8438 | 8.20313 | 6.97888 | 10.7886 | 1039 | 53 | 0.355638 | -0.0559887 | -0.0252238 | 0.0755564 | -0.00195647 | -0.0436871 | 2.40795e-05 | -3.5065e-06 | -2.94726e-06 | -5.58599e-06 | 2.14039e-17 | -3.81481e-18 | -2.81158e-17 | 0.355291 | -0.128066 | -0.0541193 | -0.0266095 | 0.0763307 | -0.00282674 | -0.0441865 | 3141.83 | 202.12 | 206.762 | 37.4456 | 13.9574 | 0 | 0 | 5.56979 | 0 | 0 | 2379.95
100 | Trofosfamide | 323.583 | 0 | 4 | 2.31095 | 32.78 | 390.958 | 28.2 | -2.73817 | 35 | 0 | 0 | 0 | 0 | 0 | 222.418 | 1 | 12.7258 | 8.18522 | 15.0588 | 7.43802 | 4.63905 | 8.18522 | 500 | 35 | 0.686078 | 0.376813 | 0.18513 | -0.569279 | 0.200681 | 0.0964859 | 0.0983639 | -0.0316853 | -0.0174967 | 1.36895e-15 | 6.02227e-16 | -7.44678e-16 | -1.62597e-29 | 1.04314 | -0.890965 | 0.562678 | 0.259726 | -0.724505 | 0.229697 | 0.0964859 | 2569.59 | 245.799 | 154.044 | 249.717 | 119.542 | 71.5437 | 49.6705 | 0 | 151.383 | 23.3066 | 1529.92
100 | Zileuton | 236.291 | 3 | 4 | 0.972928 | 66.56 | 291.033 | 25.564 | -2.17568 | 28 | 0 | 0 | 0 | 0 | 1 | 274.71 | 1.22222 | 11.7067 | 7.59222 | 12.4567 | 5.10417 | 4.81664 | 7.59222 | 436 | 28 | 0.523841 | 0.0862775 | 0.152118 | -0.248471 | 0.12196 | -0.0434955 | 0.140539 | -0.0165326 | -0.0528281 | 0.0027679 | -0.000971856 | -0.00565596 | 5.9777e-06 | 0.820191 | -0.487454 | 0.111442 | 0.175612 | -0.321731 | 0.14173 | -0.0695541 | 2162.77 | 420.839 | 483.152 | 274.065 | 98.0362 | 40.0893 | 56.1672 | 25.4021 | 35.6486 | 0 | 1568.99
100 | Zomepirac | 291.729 | 1 | 4 | 2.93171 | 59.3 | 363.137 | 31.093 | -3.73483 | 34 | 0 | 0 | 0 | 0 | 0 | 379.315 | 1 | 14.8614 | 9.39675 | 16.3719 | 6.84 | 6.12 | 9.39675 | 820 | 34 | 0.635978 | -0.0143871 | -0.0986295 | 0.412747 | -0.214845 | -0.283325 | 0.156706 | -0.0340176 | -0.0130397 | -0.031613 | -0.00510555 | 0.00941004 | -0.0239876 | 0.808313 | -0.450118 | 0.147175 | -0.182673 | 0.333018 | -0.146506 | -0.401349 | 2697.52 | 608.884 | 701.527 | 522.647 | 86.5129 | 16.9572 | 11.4487 | 27.409 | 0 | 18.6117 | 1938.12
100 | Zonisamide | 212.227 | 2 | 5 | 0.491465 | 86.19 | 229.095 | 20.526 | -2.03678 | 22 | 0 | 0 | 0 | 0 | 0 | 214.763 | 1.22222 | 10.1818 | 6.56146 | 10.5156 | 3.86777 | 5.48097 | 6.56146 | 293 | 22 | 0.441746 | 0.143076 | -0.216005 | 0.00459154 | 0.120734 | -0.0247032 | 0.317619 | -0.206323 | 0.0543905 | -0.0737594 | 0.134654 | -0.080104 | 0.0165176 | 1.06001 | -0.728222 | 0.556854 | -0.567228 | 0.224173 | -0.0317838 | 0.0937434 | 2062.47 | 589.185 | 555.875 | 395.627 | 257.728 | 35.5683 | 41.8238 | 110.619 | 60.6271 | 0 | 1137.32
100 | Zotepine | 331.86 | 0 | 2 | 5.14235 | 12.47 | 414.89 | 37.842 | -5.60736 | 40 | 1 | 1 | 1 | 1 | 0 | 395.029 | 1.26667 | 15.5267 | 10.631 | 16.8438 | 7.7135 | 5.8642 | 10.631 | 1021 | 40 | 0.353541 | -0.127547 | 0.0522837 | -0.0128063 | 0.0484946 | -0.0735529 | 0.00774029 | -0.000506864 | -0.0020394 | -0.00188611 | 0.00140186 | -0.000345131 | -0.000142493 | 0.33206 | -0.109649 | -0.0921023 | 0.0501246 | -0.0374669 | 0.0682566 | -0.0625252 | 2745.74 | 553.456 | 861.29 | 637.018 | 81.6864 | 0 | 7.20842 | 24.4352 | 53.4131 | 0 | 2635.96
95 | [NAME] | 326.429 | 1 | 3 | 4.60846 | 46.53 | 507.97 | 39.095 | -4.62513 | 50 | 0 | 0 | 0 | 0 | 0 | 503.949 | 1 | 18.2757 | 11.2561 | 22.0417 | 10.8711 | 8.79239 | 11.2561 | 1626 | 50 | 0.570578 | 0.116633 | -0.0863455 | 0.0728127 | -0.117073 | 0.0438748 | 0.0678611 | -0.0284727 | 0.0165246 | -0.0197758 | 0.0147904 | -0.0142844 | 0.0123787 | 0.722082 | -0.480667 | 0.323878 | -0.263262 | 0.179018 | -0.204487 | 0.127268 | 3372.58 | 634.661 | 714.966 | 446.1 | 49.5236 | 14.6011 | 0 | 0 | 0 | 0 | 2253.64
90 | Alprazolam | 308.765 | 0 | 4 | 4.94245 | 42.55 | 349.74 | 35.56 | -5.99861 | 35 | 0 | 0 | 0 | 0 | 0 | 428.742 | 1.2 | 15.1041 | 10.7372 | 15.5232 | 6.48148 | 4.75 | 10.7372 | 926 | 35 | 0.320838 | -0.00567865 | 0.0398237 | -0.0977449 | 0.122011 | -0.0966858 | 0.269187 | 0.0454511 | -0.173589 | -0.0233049 | 0.050924 | -0.0316831 | 0.0124879 | 0.711668 | -0.160306 | -0.208953 | 0.0654631 | 0.0335347 | 0.0136426 | -0.205759 | 2649.52 | 699.763 | 1043.8 | 956.125 | 48.4711 | 12.6668 | 5.45017 | 1.86791 | 24.0328 | 0 | 2621.53
0 | Amikacin | 585.603 | 17 | 18 | -7.25212 | 331.94 | 746.443 | 53.433 | 1.78735 | 83 | 3 | 3 | 1 | 1 | 16 | 819.054 | 1 | 29.886 | 18.8519 | 34.4898 | 15.1346 | 9.75676 | 18.8519 | 5207 | 83 | 2.97658 | -0.738194 | 1.59084 | -0.801684 | 0.0485344 | -0.0394474 | 0.0650535 | -0.0111429 | -0.0213839 | 4.02328e-16 | -2.13817e-16 | -1.44791e-16 | 5.4012e-16 | 3.14424 | -1.62685 | -0.742126 | 1.62077 | -0.921642 | 0.0861374 | 0.00694418 | 6010.78 | 272.877 | 81.9373 | 197.083 | 179.212 | 40.6849 | 194.339 | 117.475 | 141.199 | 111.849 | 3218.83
100 | Aminoglutethimide | 232.278 | 3 | 4 | 1.30757 | 72.19 | 322.45 | 25.631 | -2.56878 | 33 | 0 | 0 | 0 | 0 | 1 | 321.381 | 1 | 12.4663 | 8.08135 | 13.4321 | 5.32544 | 3.72889 | 8.08135 | 484 | 33 | 0.492998 | 0.213641 | -0.147423 | 0.0449059 | -0.0621883 | -0.017309 | 0.140866 | -0.00210526 | -0.0669066 | -0.0382736 | 0.0224515 | 0.0113057 | -0.00234433 | 0.799993 | -0.397202 | 0.226314 | -0.38077 | 0.136705 | 0.0022458 | -0.0648495 | 2414.21 | 433.67 | 381.543 | 293.526 | 62.9802 | 34.8022 | 0 | 10.2441 | 0 | 0 | 1576.17
100 | Azelastine | 383.914 | 1 | 4 | 4.7222 | 35.58 | 498.175 | 43.089 | -5.81484 | 53 | 0 | 0 | 0 | 0 | 2 | 507.786 | 1.08696 | 18.8028 | 13.1142 | 20.28 | 9.21202 | 6.77954 | 13.1142 | 1795 | 53 | 0.451878 | -0.163479 | 0.079948 | 0.0489716 | 0.0129253 | -0.130164 | 0.139537 | 0.00412976 | -0.0511938 | -0.0229294 | 0.00139069 | -0.00175654 | -0.00145563 | 0.669141 | -0.231808 | -0.151217 | 0.143578 | -0.0362853 | -0.0495282 | -0.0393412 | 3584.02 | 542.614 | 661.174 | 497.554 | 82.3491 | 12.3095 | 8.27668 | 9.26031 | 6.22644 | 3.59456 | 2930.22
100 | Betahistine | 136.194 | 1 | 2 | 0.533461 | 24.92 | 217.548 | 16.581 | -0.915776 | 22 | 0 | 0 | 0 | 0 | 0 | 83.3268 | 1 | 7.2342 | 4.93185 | 8.1 | 4.76033 | 5.53086 | 4.93185 | 133 | 22 | 0.211231 | -0.0622302 | -0.0316633 | 0.0856489 | -0.0156482 | -0.0463333 | 0.0181909 | -0.0101431 | 0.00466685 | -0.00361923 | -2.26883e-16 | 3.47332e-16 | -2.55649e-16 | 0.290528 | -0.10021 | -0.0444488 | -0.0611989 | 0.120897 | -0.0409173 | -0.051101 | 1414.75 | 232.5 | 224.994 | 18.289 | 5.3412 | 0 | 0 | 2.65518 | 0 | 0 | 702.538
90 | Bicalutamide | 430.374 | 2 | 6 | 2.76143 | 107.26 | 467.713 | 37.775 | -4.9281 | 43 | 0 | 0 | 0 | 0 | 1 | 645.508 | 1 | 22.1459 | 13.3008 | 25.2622 | 9.6465 | 7 | 13.3008 | 2016 | 43 | 0.952947 | 0.016082 | 0.300367 | -0.191476 | 0.0255889 | -0.400422 | 0.587197 | -0.313881 | 0.0254722 | 0.158892 | -0.217484 | 0.0456487 | -0.0956172 | 2.1628 | -1.18296 | 0.0992668 | 0.568748 | -0.292695 | -0.248089 | -0.952147 | 4087.02 | 1031.4 | 1442.04 | 1633.86 | 361.869 | 103.874 | 27.9726 | 109.986 | 400.521 | 183.068 | 2661.01
95 | Bifemelane | 269.381 | 1 | 2 | 3.9791 | 21.26 | 407.574 | 33.092 | -3.98122 | 43 | 0 | 0 | 0 | 0 | 0 | 237.573 | 1 | 14.0458 | 9.89818 | 16.3719 | 9.8496 | 9.5625 | 9.89818 | 950 | 43 | 0.351751 | -0.0935254 | 0.0276959 | -0.073949 | 0.124609 | -0.0363111 | 0.00357211 | -0.000711259 | -0.000233428 | -0.000304424 | -0.000546665 | -6.87197e-06 | 1.38674e-05 | 0.334758 | -0.107449 | -0.0712831 | 0.022696 | -0.0725328 | 0.116763 | -0.0425754 | 2703.35 | 419.03 | 473.981 | 395.465 | 21.1232 | 0 | 0 | 0 | 6.67581 | 0 | 1777.84
100 | Buspirone | 385.503 | 0 | 7 | 2.21096 | 69.64 | 528.471 | 42.366 | -3.81357 | 59 | 0 | 0 | 0 | 0 | 0 | 528.999 | 1.04545 | 19.3991 | 13.6514 | 21.2404 | 9.87128 | 9.5805 | 13.6514 | 2514 | 59 | 0.647709 | 0.195209 | -0.193285 | 0.00317126 | 0.146149 | -0.158578 | 0.208048 | -0.0556393 | -0.0286594 | -0.0540585 | 0.0343331 | 6.60409e-16 | 1.34377e-15 | 1.21587 | -0.68235 | 0.404911 | -0.480848 | 0.0897931 | 0.186022 | -0.260419 | 4063.44 | 521.516 | 446.571 | 34.5264 | 74.8596 | 51.2934 | 6.60984 | 10.2412 | 14.9148 | 0 | 2594.34
96 | Capecitabine | 359.35 | 3 | 9 | 0.354444 | 120.69 | 459.516 | 33.62 | -2.17435 | 47 | 0 | 0 | 0 | 0 | 4 | 551.977 | 1 | 18.5601 | 11.8454 | 21.3018 | 9.7963 | 8.04432 | 11.8454 | 1686 | 47 | 1.3027 | 0.303283 | 0.131276 | -0.211997 | -0.247342 | 0.452967 | 0.470366 | -0.0438316 | -0.100118 | -0.152294 | 0.108769 | -0.085496 | 0.0377881 | 2.15792 | -1.21641 | 0.717979 | -0.704182 | 0.178543 | -0.452229 | 0.770728 | 3775.78 | 529.591 | 666.771 | 542.536 | 166.67 | 108.024 | 121.34 | 86.3313 | 73.1098 | 107.574 | 1730.78
100 | Chlorambucil | 304.212 | 1 | 3 | 3.91336 | 40.54 | 411.656 | 31.17 | -3.84123 | 38 | 0 | 0 | 0 | 0 | 0 | 249.831 | 1 | 14.0876 | 9.16823 | 17.0526 | 9.83365 | 8.71078 | 9.16823 | 846 | 38 | 0.529211 | 0.0577902 | -0.0283355 | -0.0531208 | -0.0210894 | 0.11565 | 0.0493354 | -0.0120695 | -0.00992196 | -0.00069658 | -0.00473541 | 0.0029296 | -0.00928421 | 0.646654 | -0.374219 | 0.162787 | -0.0741407 | -0.0911062 | -0.0136577 | 0.0830281 | 2699.81 | 400.868 | 277.34 | 256.473 | 95.2238 | 16.8906 | 36.2545 | 0 | 0 | 23.3076 | 1675.78
89 | Chloramphenicol | 323.129 | 3 | 7 | 0.669445 | 115.38 | 388.6 | 28.279 | -2.13289 | 32 | 0 | 0 | 0 | 0 | 2 | 342.195 | 1 | 15.2841 | 9.36228 | 18.05 | 8.44444 | 6.54935 | 9.36228 | 880 | 32 | 0.81267 | -0.184066 | 0.384716 | -0.233671 | -0.0601396 | 0.0772684 | 0.49266 | -0.298655 | 0.0564074 | 0.000756565 | -0.000866256 | -0.00163148 | -0.000592688 | 1.6924 | -0.896378 | -0.113789 | 0.368441 | -0.268097 | 0.0982521 | -0.139833 | 2946.58 | 674.117 | 596.968 | 335.199 | 127.51 | 52.3706 | 101.657 | 10.8424 | 20.404 | 67.7344 | 1478.7
100 | Cinchonine | 294.391 | 1 | 3 | 2.68191 | 36.36 | 391.343 | 35.593 | -3.41835 | 44 | 0 | 0 | 0 | 0 | 4 | 406.681 | 1.33333 | 15.1041 | 10.7752 | 15.5232 | 6.48148 | 5.26316 | 10.7752 | 1005 | 44 | 0.429947 | -0.120452 | 0.147555 | -0.100088 | -0.0298345 | 0.0466303 | 0.0219277 | -0.0114081 | 0.00715683 | -0.00824737 | 0.0014615 | 7.32725e-05 | 3.91503e-06 | 0.518957 | -0.203594 | -0.107708 | 0.135269 | -0.141194 | 0.00535508 | 0.0599343 | 2829.29 | 431.898 | 510.945 | 159.15 | 16.7849 | 0 | 5.67674 | 0 | 5.57575 | 2.86168 | 2532.15
95 | Cinoxacin | 262.218 | 1 | 7 | 1.47897 | 88.43 | 289.867 | 24.934 | -2.61449 | 29 | 0 | 0 | 0 | 0 | 0 | 443.732 | 1.30769 | 13.5685 | 9.11339 | 13.9592 | 5.41311 | 4.2314 | 9.11339 | 629 | 29 | 0.921762 | -0.0758872 | -0.176772 | 0.266202 | 0.0254914 | -0.0944736 | 0.137464 | -0.0283551 | -0.019094 | 0.0119152 | -0.0185341 | -0.0114926 | 0.00451918 | 1.17161 | -0.586631 | -0.0173095 | -0.102296 | 0.215061 | -0.0439984 | 0.0227589 | 2616.72 | 670.386 | 993.66 | 596.11 | 134.878 | 38.6142 | 34.1123 | 125.123 | 57.1123 | 28.4218 | 1490.59
87 | Clobazam | 300.739 | 0 | 4 | 2.29026 | 40.62 | 355.175 | 33.346 | -3.91244 | 34 | 0 | 0 | 0 | 0 | 0 | 422.5 | 1.11765 | 14.9828 | 10.0754 | 15.879 | 6.62994 | 4.26036 | 10.0754 | 807 | 34 | 0.433998 | 0.136409 | -0.281484 | 0.160371 | 0.0210124 | 0.00451767 | 0.181319 | 0.00250042 | -0.0946462 | -0.000614521 | -0.0260507 | 0.00147287 | 0.0305454 | 0.740686 | -0.282264 | 0.142739 | -0.48364 | 0.257672 | 0.0109876 | 0.0343001 | 2692.34 | 664.38 | 877.076 | 930.335 | 111.977 | 35.5778 | 31.0372 | 78.2088 | 27.3413 | 17.2665 | 2416.35
93 | Codeine | 299.364 | 1 | 4 | 1.08683 | 41.93 | 367.149 | 32.428 | -2.14437 | 43 | 0 | 0 | 0 | 0 | 5 | 502.757 | 1.61111 | 15.0601 | 10.6639 | 14.3521 | 4.7619 | 2.92195 | 10.6639 | 824 | 43 | 0.671552 | -0.285138 | 0.368017 | -0.164493 | -0.166683 | 0.282073 | 0.00397524 | 0.000559112 | -0.00121497 | -0.000814343 | -0.000552215 | -8.05995e-06 | 4.28587e-05 | 0.624361 | -0.232529 | -0.25707 | 0.335324 | -0.136916 | -0.167211 | 0.27422 | 2864.75 | 345.611 | 345.307 | 190.812 | 51.8944 | 0 | 33.6842 | 0 | 7.36513 | 19.9229 | 2585.23
80 | Cyproheptadine | 287.398 | 0 | 1 | 4.6881 | 3.24 | 381.87 | 38.204 | -5.45633 | 43 | 0 | 0 | 0 | 0 | 0 | 412.069 | 1.19048 | 14.9409 | 10.8265 | 15.5232 | 6.85714 | 4.75 | 10.8265 | 928 | 43 | 0.175087 | -0.0952321 | -0.00573673 | 0.0263446 | -0.00406173 | -0.0284961 | 0.00765148 | 0.00063395 | -0.000749801 | -0.000180317 | -0.00333417 | -0.000285744 | 2.40636e-05 | 0.186031 | -0.00742387 | -0.108868 | 0.0133089 | 0.0405007 | -0.0318154 | -0.0302931 | 2691.08 | 505.257 | 789.622 | 487.877 | 2.71551 | 0 | 0 | 0 | 0 | 0 | 3081.91
98 | Delmopinol | 271.439 | 1 | 3 | 4.18673 | 32.7 | 469.565 | 31.985 | -3.33057 | 52 | 0 | 0 | 0 | 0 | 1 | 204.926 | 1 | 13.9244 | 9.31239 | 17.0526 | 10.7479 | 8.71078 | 9.31239 | 826 | 52 | 0.487414 | -0.223636 | 0.139596 | -0.00221992 | -0.0797338 | 0.097892 | 1.09067e-28 | -1.29845e-29 | -5.86845e-30 | 8.16226e-30 | -1.25908e-29 | 6.93876e-29 | 3.25681e-29 | 0.487414 | -0.150041 | -0.223636 | 0.139596 | -0.00221992 | -0.0797338 | 0.097892 | 3056.59 | 25.2277 | 0 | 0 | 25.2277 | 0 | 11.5143 | 0 | 0 | 11.1104 | 1714.17
98 | Desipramine | 266.381 | 1 | 2 | 3.70341 | 15.27 | 376.234 | 34.246 | -4.13315 | 42 | 0 | 0 | 0 | 0 | 0 | 267.143 | 1.26667 | 13.7862 | 9.89818 | 14.9174 | 7.31986 | 4.76471 | 9.89818 | 759 | 42 | 0.257736 | -0.0569406 | 0.030204 | -0.0162071 | -0.0552299 | 0.0320272 | 0.0300905 | 0.00320642 | -0.0141736 | -0.00300979 | -0.0040504 | 0.000190669 | 0.00212296 | 0.228241 | -0.0664848 | -0.0445332 | -0.000499005 | -0.00849964 | -0.0437804 | 0.0824066 | 2618.53 | 387.644 | 496.478 | 346.674 | 24.6114 | 0 | 0 | 7.2715 | 0 | 0 | 2433.31
99 | Desmethyldiazepam | 270.713 | 1 | 3 | 2.78038 | 41.46 | 314.078 | 30.882 | -3.99009 | 30 | 0 | 0 | 0 | 0 | 0 | 370.862 | 1.11765 | 13.2423 | 9.23718 | 13.9592 | 6.18549 | 4.5 | 9.23718 | 643 | 30 | 0.374324 | -0.00861278 | 0.0797015 | -0.129688 | 0.128078 | -0.087029 | 0.144705 | -0.0288678 | -0.0351393 | -0.0123651 | 0.0108952 | -0.00645494 | 0.00160615 | 0.697621 | -0.31596 | -0.0772629 | 0.148955 | -0.1164 | 0.0885333 | -0.137581 | 2307.66 | 636.802 | 881.863 | 804.847 | 66.3697 | 16.3466 | 8.30831 | 0 | 32.9925 | 0 | 2142.75
72 | Desogestrel | 310.473 | 1 | 1 | 3.92709 | 20.23 | 470.349 | 37.197 | -4.09123 | 53 | 0 | 0 | 0 | 0 | 6 | 592.584 | 1.35294 | 16.2423 | 11.0606 | 16.4675 | 5.77156 | 3.52 | 11.0606 | 1004 | 53 | 0.298666 | -0.00574684 | 0.0797795 | -0.0841508 | 0.0381442 | -0.107151 | 0.000184686 | -9.23432e-05 | 1.52531e-17 | 7.17894e-06 | -5.97686e-05 | 9.80004e-05 | -4.54107e-05 | 0.298628 | -0.148997 | -0.00168228 | 0.0757254 | -0.0869149 | 0.0451952 | -0.110137 | 3162.98 | 199.842 | 18.9204 | 112.665 | 11.6625 | 0 | 0 | 0 | 0 | 0 | 3017.74
100 | Dextromoramide | 392.534 | 0 | 4 | 3.93741 | 32.78 | 557.786 | 45.952 | -4.91256 | 61 | 0 | 0 | 0 | 0 | 1 | 489.049 | 1 | 20.1062 | 14.2252 | 22.2031 | 10.5434 | 7.88338 | 14.2252 | 1939 | 61 | 0.545048 | -0.244681 | -0.00643822 | 0.198737 | 0.164186 | -0.0707327 | 0.0650094 | -0.0111183 | -0.0223115 | 0.00137768 | -0.000252369 | 9.0037e-05 | -0.000295039 | 0.711842 | -0.239187 | -0.243646 | -0.00191009 | 0.199037 | 0.171868 | -0.050409 | 3946.44 | 511.278 | 512.285 | 713.087 | 41.2341 | 12.7516 | 5.77863 | 0 | 12.2415 | 0 | 3337.47
90 | Diazoxide | 230.672 | 1 | 4 | 0.96183 | 62.02 | 238.985 | 22.427 | -2.35654 | 21 | 0 | 0 | 0 | 0 | 0 | 265.971 | 1.2 | 10.3449 | 6.488 | 10.5156 | 3.53875 | 3.27273 | 6.488 | 268 | 21 | 0.404432 | 0.247759 | -0.234322 | 0.0535701 | 0.0657187 | -0.0619249 | 0.565061 | -0.321562 | 0.0920803 | -0.110577 | 0.0709567 | -0.0145884 | 0.00115969 | 1.50569 | -1.13458 | 0.867494 | -0.731095 | 0.238955 | 0.0771794 | -0.0949215 | 1892.77 | 691.249 | 952.057 | 313.08 | 291.694 | 28.2541 | 27.7618 | 92.4546 | 56.8565 | 0 | 1412.69
97 | Diclofenac | 296.148 | 2 | 3 | 3.939 | 49.33 | 343.809 | 30.908 | -4.71197 | 30 | 0 | 0 | 0 | 0 | 0 | 298.606 | 1 | 13.8281 | 9.07539 | 15.39 | 7.1358 | 6.32099 | 9.07539 | 706 | 30 | 0.529011 | 0.0885707 | 0.00208046 | -0.15044 | 0.293527 | -0.1313 | 0.0693635 | -0.00978313 | -0.0277395 | 0.00534965 | 0.00494478 | -0.00979563 | -0.00647019 | 0.612178 | -0.385873 | 0.171292 | -0.0739042 | -0.166707 | 0.349062 | -0.176518 | 2392.23 | 612.938 | 717.933 | 729.685 | 113.978 | 16.9377 | 49.9511 | 28.8996 | 38.4432 | 0 | 1936.22
94 | Dienogest | 311.418 | 1 | 3 | 1.81853 | 61.09 | 435.772 | 34.734 | -2.93694 | 48 | 0 | 0 | 0 | 0 | 4 | 660.448 | 1.35294 | 16.2423 | 10.9831 | 16.4675 | 5.77156 | 3.9837 | 10.9831 | 1082 | 48 | 0.38169 | 0.0138613 | -0.0624459 | -0.0292242 | 0.0549656 | -0.00986291 | 0.182311 | -0.0902146 | 0.00924059 | -0.00801341 | 0.00392594 | -0.00609402 | 0.0149996 | 0.778849 | -0.349075 | 0.0734406 | -0.246937 | 0.138297 | 0.0485802 | -0.0202856 | 3201.28 | 365.967 | 149.475 | 73.2947 | 31.136 | 0 | 0 | 7.74665 | 0 | 0 | 2705.49
100 | [NAME] | 279.376 | 0 | 2 | 3.98301 | 12.47 | 390.615 | 35.049 | -4.30965 | 42 | 0 | 0 | 0 | 0 | 0 | 362.578 | 1.26667 | 14.6565 | 10.254 | 15.879 | 7.51301 | 5.2898 | 10.254 | 882 | 42 | 0.331568 | -0.145116 | 0.0520369 | 0.0306782 | -0.0559792 | -0.00854142 | 0.00374123 | -0.000364816 | -0.000940773 | -0.000262496 | -0.000346254 | 0.000165996 | -0.000122779 | 0.312197 | -0.0770896 | -0.11838 | 0.0399989 | 0.0248783 | -0.041692 | -0.0120391 | 2700.07 | 482.559 | 698.743 | 461.59 | 21.9824 | 0 | 0 | 0 | 0 | 0 | 2393.32
35 | Erythromycin | 733.927 | 5 | 14 | 1.22741 | 193.91 | 1113.8 | 74.877 | -3.61857 | 118 | 2 | 2 | 1 | 1 | 18 | 1161.76 | 1 | 38.9634 | 23.4255 | 45.3898 | 17.854 | 11.293 | 23.4255 | 8842 | 118 | 2.2573 | -0.298956 | 0.528442 | -0.314225 | 0.0731424 | -0.0145299 | 0.0466009 | -0.0160885 | -0.007212 | 2.97282e-16 | 8.05867e-17 | 0.00319228 | 0.0040956 | 2.46686 | -1.21997 | -0.245604 | 0.487169 | -0.355356 | 0.111022 | 0.0812238 | 7886.87 | 410.772 | 85.6503 | 263.269 | 180.149 | 45.4299 | 93.4242 | 113.148 | 77.8636 | 150.956 | 5169.05
75 | Estramustine | 440.403 | 1 | 4 | 5.66902 | 49.77 | 576.105 | 46.181 | -6.01143 | 60 | 1 | 1 | 1 | 1 | 5 | 584.47 | 1.35294 | 20.5956 | 13.9737 | 22.2031 | 9.24038 | 6.73834 | 13.9737 | 2378 | 60 | 0.668609 | 0.179987 | 0.0802881 | -0.24361 | 0.080913 | -0.0109599 | 0.114191 | -0.0133112 | -0.0422335 | -0.00940218 | 0.00924626 | -0.00385419 | 0.00245905 | 0.920684 | -0.595842 | 0.274161 | 0.0268634 | -0.267547 | 0.0898403 | -0.0156461 | 4047.65 | 416.106 | 424.986 | 307.676 | 115.735 | 51.6811 | 41.4529 | 0 | 81.3456 | 23.3077 | 3262.62
78 | Ethambutol | 204.31 | 4 | 4 | -0.360187 | 64.52 | 358.33 | 23.1 | -0.0745632 | 38 | 0 | 0 | 0 | 0 | 2 | 108.69 | 0 | 10.8116 | 6.77792 | 14 | 9.55102 | 7.04 | 6.77792 | 383 | 38 | 0.641659 | -0.163163 | 0.335304 | -0.273201 | -0.0318495 | 0.228529 | 5.78944e-30 | -9.24398e-31 | 1.77734e-30 | -1.84909e-30 | -8.87854e-32 | 1.30915e-30 | -1.28864e-30 | 0.641659 | -0.294077 | -0.163163 | 0.335304 | -0.273201 | -0.0318495 | 0.228529 | 2319.55 | 26.3482 | 0 | 0 | 26.3482 | 0 | 13.0057 | 0 | 0 | 10.4377 | 1016.37
90 | Ethionamide | 166.244 | 2 | 2 | 0.650957 | 38.91 | 235.059 | 19.953 | -1.49809 | 21 | 0 | 0 | 0 | 0 | 0 | 147.027 | 1 | 8.26758 | 5.23638 | 9.09091 | 4.13265 | 3.78698 | 5.23638 | 156 | 21 | 0.235836 | 0.0563908 | 0.00363432 | -0.122449 | 0.132683 | -0.040189 | 0.130633 | -0.0265673 | -0.0336468 | 0.00569901 | -0.0278412 | 0.0170397 | -7.0894e-16 | 0.402612 | -0.226648 | 0.131382 | -0.0431316 | -0.237444 | 0.246807 | -0.0584939 | 1453.47 | 324.25 | 382.238 | 74.9511 | 32.5022 | 14.3965 | 0 | 0 | 13.6601 | 0 | 972.98
100 | Etoricoxib | 358.843 | 0 | 4 | 3.94133 | 59.92 | 416.516 | 39.84 | -5.67887 | 39 | 0 | 0 | 0 | 0 | 0 | 417.823 | 1 | 17.3196 | 11.3424 | 18.7811 | 7.70914 | 7.03878 | 11.3424 | 1351 | 39 | 0.345778 | -0.0374715 | 0.00637817 | 0.0284901 | -0.029792 | -0.0122463 | 0.340766 | -0.226902 | 0.0708707 | -0.0222291 | 0.0184287 | -0.0147121 | 0.0307014 | 1.16541 | -0.634452 | 0.0902018 | -0.0428647 | 0.143283 | -0.11385 | 0.0151481 | 3097.35 | 972.628 | 1270.84 | 1119.77 | 231.901 | 11.3842 | 9.33968 | 2.97525 | 0 | 0 | 2844.68
95 | Fenfluramine | 231.257 | 1 | 1 | 3.32467 | 12.03 | 313.355 | 22.522 | -3.10275 | 32 | 0 | 0 | 0 | 0 | 1 | 202.931 | 1 | 12.1818 | 7.44771 | 14.0625 | 6.07438 | 5.77778 | 7.44771 | 463 | 32 | 0.412221 | -0.0230378 | 0.0590335 | -0.00284542 | 0.00418672 | -0.0841457 | 0.000279 | -7.71959e-05 | -7.21747e-06 | -5.50866e-05 | 1.3194e-17 | -1.38336e-17 | -6.40666e-19 | 0.409495 | -0.24162 | -0.0133459 | 0.0578624 | -0.00408819 | 0.00498838 | -0.0859629 | 2305.51 | 267.008 | 347.369 | 102.689 | 78.8191 | 76.3727 | 0 | 0 | 0 | 0 | 1155.86
85 | Fenoprofen | 242.27 | 1 | 3 | 3.14835 | 46.53 | 328.801 | 27.684 | -3.41529 | 32 | 0 | 0 | 0 | 0 | 1 | 270.912 | 1 | 12.9578 | 8.6647 | 14.41 | 6.9632 | 6.66667 | 8.6647 | 650 | 32 | 0.532112 | 0.129648 | -0.0394307 | 0.0227252 | -0.193168 | 0.258511 | 0.0467517 | -0.0111556 | -0.0111721 | -0.00592443 | 0.00721956 | 0.0015718 | -0.00181221 | 0.648338 | -0.433062 | 0.209855 | -0.111609 | 0.0993593 | -0.245959 | 0.28989 | 2369.14 | 582.427 | 654.685 | 562.41 | 60.8752 | 16.9559 | 0 | 0 | 0 | 42.4133 | 1543.23
80 | Flunisolide | 434.498 | 2 | 6 | 1.15196 | 93.06 | 569.482 | 43.189 | -2.80627 | 62 | 0 | 0 | 0 | 0 | 9 | 877.321 | 1.4 | 22.5601 | 14.3935 | 22.7755 | 7.00833 | 4.53704 | 14.3935 | 2209 | 62 | 1.0234 | -0.0524764 | -0.00807886 | 0.102874 | 0.0214278 | -0.258743 | 0.0301805 | -0.0120479 | 0.00937488 | -0.0124172 | 2.50905e-16 | -8.03008e-17 | -2.85622e-17 | 1.19008 | -0.551226 | -0.075893 | 0.0138591 | 0.0419405 | 0.0735795 | -0.242052 | 4343.77 | 438.257 | 318.241 | 140.962 | 101.627 | 14.3031 | 31.1922 | 28.9873 | 40.944 | 40.3269 | 3599.8
100 | Flurazepam | 387.878 | 0 | 4 | 3.80835 | 35.91 | 496.018 | 43.152 | -5.09108 | 50 | 0 | 0 | 0 | 0 | 0 | 533.653 | 1.11765 | 19.3885 | 13.0452 | 21.7027 | 10.1563 | 6.5 | 13.0452 | 1747 | 50 | 0.507016 | -0.110095 | 0.0958766 | -0.10068 | 0.124953 | -0.126265 | 0.148086 | -0.0322486 | -0.02912 | -0.0175054 | 0.00947923 | -0.00191396 | -0.00110749 | 0.842871 | -0.344574 | -0.143323 | 0.0799709 | -0.0623869 | 0.183846 | -0.226207 | 3587.07 | 677.278 | 948.114 | 908.414 | 94.2171 | 16.6718 | 17.0228 | 4.80704 | 38.6954 | 27.408 | 3031.52
100 | Gestodene | 310.43 | 1 | 2 | 3.56571 | 37.3 | 447.746 | 35.448 | -3.98297 | 49 | 0 | 0 | 0 | 0 | 6 | 641.851 | 1.35294 | 16.2423 | 11.0438 | 16.4675 | 5.77156 | 3.66514 | 11.0438 | 1053 | 49 | 0.387821 | 0.00728237 | 0.114336 | -0.116582 | -0.035946 | 0.0256487 | 0.0196701 | -0.00913176 | 0.00657614 | -0.00734934 | 6.98946e-05 | 0.00060391 | -0.000812962 | 0.474264 | -0.259232 | 0.0468744 | 0.0799266 | -0.110411 | -0.0354013 | 0.0345837 | 3136.42 | 321.66 | 154.665 | 35.2406 | 27.5495 | 0 | 0 | 0 | 0 | 0 | 2795.3
95 | Gliquidone | 527.634 | 2 | 9 | 4.21903 | 121.88 | 677.785 | 55.671 | -6.79777 | 70 | 1 | 1 | 1 | 1 | 0 | 837.998 | 1.09091 | 26.7943 | 17.524 | 29.97 | 12.6688 | 9.84994 | 17.524 | 5028 | 70 | 0.983976 | 0.465591 | -0.393355 | 0.0312892 | 0.189469 | -0.0186728 | 0.573893 | -0.18785 | -0.0433842 | -0.194149 | 0.148797 | 0.000662077 | -0.00306149 | 2.31588 | -1.37594 | 0.869787 | -1.25024 | 0.597256 | 0.133407 | 0.0359831 | 5373.16 | 1089.84 | 1318.92 | 920.089 | 327.997 | 118.951 | 87.8662 | 54.8202 | 36.9976 | 0 | 3770.72
100 | Guanfacine | 246.093 | 4 | 4 | 2.19081 | 78.97 | 291.903 | 23.769 | -3.28022 | 24 | 0 | 0 | 0 | 0 | 0 | 244.735 | 1 | 11.4223 | 7.00291 | 13.0667 | 5.915 | 5.58449 | 7.00291 | 384 | 24 | 0.515194 | 0.464742 | -0.527433 | 0.216079 | 0.069256 | -0.165079 | 0.236995 | -0.0140755 | -0.097184 | -0.0575322 | 0.0472495 | 0.00419484 | 0.0025611 | 0.99392 | -0.640241 | 0.577569 | -0.804849 | 0.450509 | 0.00935441 | -0.254581 | 2000.97 | 491.023 | 515.797 | 474.846 | 111.398 | 40.9952 | 0 | 42.4818 | 91.3521 | 0 | 1204.83
68 | Hydrochlorothiazide | 297.741 | 4 | 7 | -0.428883 | 118.36 | 279.68 | 26.15 | -2.83806 | 25 | 0 | 0 | 0 | 0 | 0 | 308.843 | 1.2 | 12.8449 | 7.71616 | 13.4321 | 4.28062 | 3.72889 | 7.71616 | 460 | 25 | 0.632111 | 0.348038 | -0.252558 | 0.177407 | -0.588549 | 0.889465 | 0.645655 | -0.462541 | 0.173697 | -0.0631847 | 0.257969 | -0.398825 | 0.170058 | 2.03696 | -1.66631 | 1.21029 | -0.681239 | 0.948902 | -2.21381 | 2.08164 | 2595.46 | 860.604 | 1015.92 | 852.482 | 494.876 | 81.8053 | 127.368 | 292.597 | 408.78 | 197.56 | 1832.81
90 | Hydroxychloroquine | 321.845 | 2 | 4 | 2.8114 | 48.39 | 450.44 | 37.068 | -3.49678 | 46 | 0 | 0 | 0 | 0 | 1 | 318.279 | 1.2 | 15.9494 | 10.6346 | 18.3403 | 9.33333 | 7.90843 | 10.6346 | 1184 | 46 | 0.536531 | -0.0675489 | -0.0628266 | 0.164984 | -0.160304 | 0.0333548 | 0.0529625 | -0.0204549 | 0.0235657 | -0.0164623 | -0.0150805 | 0.00149604 | 0.000454764 | 0.623852 | -0.289834 | 0.0407523 | -0.16688 | 0.247606 | -0.242223 | 0.0886296 | 3037.63 | 408.732 | 582.888 | 169.382 | 59.3607 | 0 | 5.4582 | 19.6663 | 0 | 20.8372 | 2252.55
98 | Imipramine | 280.407 | 0 | 2 | 3.95206 | 6.48 | 405.057 | 36.081 | -4.3389 | 45 | 0 | 0 | 0 | 0 | 0 | 290.688 | 1.26667 | 14.6565 | 10.254 | 15.879 | 7.51301 | 5.2898 | 10.254 | 882 | 45 | 0.240899 | -0.0834601 | 0.00925499 | -0.00884002 | -0.023727 | 0.00116254 | 0.0300905 | 0.00320642 | -0.0141736 | -0.00300979 | -0.0040504 | 0.000190673 | 0.00212296 | 0.211404 | -0.028595 | -0.0710243 | -0.0210685 | 0.000661564 | -0.0306954 | 0.0602573 | 2785.3 | 387.902 | 496.478 | 347.621 | 24.8694 | 0 | 0 | 7.65589 | 0 | 0 | 2555.43
100 | Indoprofen | 281.306 | 1 | 4 | 2.4858 | 57.61 | 353.088 | 31.325 | -3.43527 | 36 | 0 | 0 | 0 | 0 | 1 | 414.258 | 1.13333 | 14.9828 | 10.0754 | 15.879 | 6.62994 | 5.60554 | 10.0754 | 964 | 36 | 0.584717 | 0.127513 | -0.0209262 | 0.0203468 | 0.0190349 | -0.141296 | 0.119642 | -0.0160836 | -0.0429488 | -0.0110164 | 0.00686542 | 0.00201071 | 0.0195623 | 0.887826 | -0.530551 | 0.180419 | -0.115027 | 0.0529298 | 0.101778 | -0.171479 | 2748.52 | 658.607 | 766.819 | 676.907 | 69.7695 | 32.5786 | 0 | 0 | 0 | 0 | 1996.63
1 | Kanamycin | 484.499 | 15 | 15 | -6.13645 | 282.61 | 610.43 | 43.893 | 1.59294 | 69 | 2 | 2 | 1 | 1 | 15 | 638.198 | 1 | 24.61 | 15.5093 | 27.5853 | 11.3728 | 7.25624 | 15.5093 | 3160 | 69 | 2.54333 | -0.702937 | 1.40516 | -0.63342 | 0.00713334 | -0.0196317 | 5.88847e-29 | -2.20858e-30 | -2.6165e-31 | -1.82617e-29 | 5.54035e-30 | 7.28741e-30 | -2.75206e-29 | 2.54333 | -1.31288 | -0.702937 | 1.40516 | -0.63342 | 0.00713334 | -0.0196317 | 4911 | 141.691 | 28.0371 | 99.5076 | 141.691 | 28.0371 | 160.418 | 99.9458 | 99.5076 | 75.8177 | 2619.08
100 | Ketazolam | 368.813 | 0 | 5 | 3.13409 | 49.85 | 437.233 | 39.269 | -4.93032 | 43 | 0 | 0 | 0 | 0 | 1 | 612.381 | 1.19048 | 18.4743 | 12.4304 | 19.3222 | 7.43802 | 4.3795 | 12.4304 | 1314 | 43 | 0.626724 | 0.196815 | -0.0538255 | -0.303448 | 0.391182 | -0.181966 | 0.185978 | -0.0275249 | -0.0357973 | -0.0298237 | -0.0135415 | 0.014439 | 0.00774445 | 0.986949 | -0.584765 | 0.422184 | -0.266064 | -0.484964 | 0.643364 | -0.238972 | 3340.29 | 763.297 | 938.875 | 1711.31 | 113.253 | 48.0011 | 35.2025 | 37.488 | 113.343 | 0 | 3006.66
95 | Labetalol | 328.406 | 5 | 5 | 2.52356 | 95.58 | 461.06 | 37.127 | -3.70799 | 48 | 0 | 0 | 0 | 0 | 2 | 379.328 | 1 | 17.5267 | 11.4692 | 20.3136 | 10.2222 | 9.33333 | 11.4692 | 1607 | 48 | 0.843201 | 0.0820788 | -0.0389562 | 0.140288 | -0.311781 | 0.310658 | 0.0747877 | -0.0189605 | -0.00758531 | -0.0095593 | 0.0015591 | -0.00284783 | 1.7326e-16 | 0.995457 | -0.57319 | 0.219451 | -0.243945 | 0.283726 | -0.396363 | 0.320539 | 3305.45 | 547.427 | 630.342 | 142.422 | 55.1292 | 11.4363 | 5.30827 | 28.7574 | 0 | 36.6951 | 2080.04
90 | [NAME] | 280.285 | 2 | 7 | 2.44389 | 113.43 | 371.977 | 29.282 | -3.96896 | 33 | 0 | 0 | 0 | 0 | 1 | 536.749 | 1 | 15.2423 | 10.1346 | 17.3554 | 8.58502 | 7.2 | 10.1346 | 1074 | 33 | 0.489839 | -0.16638 | 0.0361002 | 0.131634 | -0.217264 | 0.12673 | 0.457541 | -0.193834 | 0.011754 | -0.0128594 | -0.0200729 | -0.0509026 | 0.0155135 | 1.35325 | -0.439528 | -0.314578 | -0.0177364 | 0.338777 | -0.45284 | 0.220717 | 2903.35 | 759.076 | 835.61 | 606.958 | 101.877 | 17.9638 | 21.4499 | 31.2435 | 0 | 12.4375 | 1558.31
100 | Linezolid | 337.346 | 1 | 7 | 0.946453 | 71.11 | 414.666 | 33.566 | -2.76632 | 44 | 0 | 0 | 0 | 0 | 1 | 466.535 | 1 | 17.1041 | 11.5417 | 18.7811 | 8.58951 | 8.29714 | 11.5417 | 1467 | 44 | 0.914829 | 0.111084 | 0.0295015 | -0.0637033 | 0.0888752 | -0.147246 | 0.198972 | -0.0184731 | -0.08767 | -0.0197811 | 0.0484207 | 0.021604 | -0.0934284 | 1.28464 | -0.753733 | 0.263208 | -0.0603343 | -0.127297 | 0.187466 | -0.446589 | 3439.69 | 529.901 | 527.293 | 470.721 | 134.383 | 66.0272 | 51.0081 | 46.8762 | 45.6171 | 70.0565 | 1963.66
80 | Losartan | 422.911 | 2 | 7 | 4.84629 | 92.51 | 516.532 | 47.239 | -6.71594 | 53 | 0 | 0 | 0 | 0 | 0 | 519.856 | 1 | 20.9241 | 14.707 | 23.168 | 11.2277 | 10.0038 | 14.707 | 2665 | 53 | 0.620642 | -0.042381 | 0.100907 | 0.00536791 | -0.0452855 | 0.00862182 | 0.33351 | 0.0442555 | -0.214045 | 0.0121227 | -0.00330455 | 0.00170027 | -0.00426018 | 0.741891 | -0.17584 | -0.079652 | -0.155881 | 0.0790918 | -0.00255545 | 0.0326029 | 3930.54 | 800.935 | 1094.31 | 1099.75 | 99.1044 | 40.7732 | 30.0049 | 23.1037 | 0 | 0 | 3132.05
98 | Maprotiline | 277.403 | 1 | 1 | 5.00574 | 12.03 | 386.167 | 34.577 | -5.07937 | 44 | 1 | 1 | 1 | 1 | 0 | 338.85 | 1.5 | 14.2862 | 10.3661 | 14.5833 | 5.89388 | 4.05 | 10.3661 | 810 | 44 | 0.193176 | -0.0712466 | 0.0263897 | -0.0184288 | 0.0112295 | 0.0186101 | 1.69823e-05 | 6.10507e-06 | -2.79616e-06 | -4.87049e-06 | -1.01596e-05 | -3.71293e-06 | 4.74036e-06 | 0.192863 | -0.0418462 | -0.0703983 | 0.0264608 | -0.0192969 | 0.011333 | 0.0185374 | 2673.44 | 378.699 | 438.725 | 331.136 | 2.3774 | 0 | 0 | 0 | 0 | 0 | 2612.24
100 | Mebendazole | 295.293 | 2 | 6 | 2.86973 | 84.08 | 352.044 | 34.077 | -4.2315 | 35 | 0 | 0 | 0 | 0 | 0 | 422.859 | 1.13333 | 15.5267 | 10.669 | 16.8438 | 7.7135 | 7.42188 | 10.669 | 1138 | 35 | 0.766653 | 0.489554 | -0.467243 | 0.379794 | -0.15561 | -0.0616418 | 0.278914 | 0.000842295 | -0.0838769 | -0.0572952 | 0.0177394 | -0.0483723 | 0.0385151 | 1.25785 | -0.775523 | 0.532947 | -0.67887 | 0.546343 | -0.274815 | 0.00808674 | 2894.49 | 751.434 | 1048.1 | 813.556 | 85.8281 | 81.534 | 0 | 30.9639 | 11.1471 | 3.9138 | 2195.36
90 | Mestranol | 310.43 | 1 | 2 | 4.5037 | 29.46 | 445.973 | 35.807 | -4.53503 | 49 | 0 | 0 | 0 | 0 | 5 | 513.64 | 1.35294 | 16.2423 | 11.0211 | 16.4675 | 5.77156 | 3.81944 | 11.0211 | 1092 | 49 | 0.437034 | -0.0135678 | 0.109274 | -0.165008 | 0.0171363 | 0.014924 | 0.00386206 | -0.00096316 | -0.000109224 | -0.000265144 | -0.000593502 | 3.76964e-16 | 0.000112115 | 0.419791 | -0.214436 | 0.0208494 | 0.0984294 | -0.1689 | 0.016852 | 0.0155322 | 3084.43 | 302.629 | 274.439 | 0 | 30.1133 | 0 | 0 | 0 | 0 | 0 | 2727.71
100 | Methocarbamol | 241.241 | 3 | 6 | 0.0746782 | 91.01 | 332.174 | 23.72 | -1.07493 | 32 | 0 | 0 | 0 | 0 | 1 | 231.012 | 1 | 12.6734 | 8.13023 | 15.0588 | 8.16327 | 7.84 | 8.13023 | 606 | 32 | 0.985679 | 0.078465 | 0.271118 | -0.289366 | -0.0465667 | 0.159221 | 0.115252 | -0.0184051 | -0.0378359 | -0.000588623 | 0.000808574 | 0.00483382 | -0.00789963 | 1.19622 | -0.7544 | 0.223064 | 0.188161 | -0.362425 | 0.0184532 | 0.159108 | 2514.55 | 441.066 | 433.062 | 157.504 | 96.5314 | 44.2005 | 49.4261 | 21.2882 | 22.526 | 43.9368 | 1026.37
64 | Metolazone | 365.835 | 3 | 6 | 2.53746 | 92.5 | 414.04 | 37.797 | -4.9823 | 40 | 0 | 0 | 0 | 0 | 1 | 495.188 | 1.125 | 17.6459 | 11.1974 | 18.7811 | 6.9575 | 5.25 | 11.1974 | 1228 | 40 | 0.620589 | 0.328245 | -0.278983 | 0.202386 | -0.494326 | 0.670549 | 0.422135 | -0.241705 | 0.0727805 | -0.0708269 | 0.0974237 | -0.0667677 | 0.00934658 | 1.49055 | -1.10223 | 0.819077 | -0.699578 | 0.766621 | -1.26136 | 1.17953 | 3304.1 | 855.765 | 1120.62 | 974.605 | 303.901 | 68.9602 | 74.569 | 87.0687 | 164.917 | 164.11 | 2719.02
80 | Acetanilide | 226.274 | 0 | 3 | 1.81723 | 42.85 | 326.033 | 26.102 | -2.54813 | 31 | 0 | 0 | 0 | 0 | 0 | 275.396 | 1 | 12.3031 | 8.12103 | 13.4321 | 5.76 | 4.63905 | 8.12103 | 504 | 31 | 0.30059 | -0.109498 | 0.020471 | 0.0171393 | 0.0472827 | -0.0487589 | 0.0513221 | -0.0310291 | 0.0218969 | -0.0204447 | -0.0013615 | 0.0175928 | -0.025346 | 0.54295 | -0.189431 | -0.0915665 | -0.0187968 | 0.014189 | 0.110924 | -0.137658 | 2228.93 | 583.326 | 610.648 | 506.06 | 22.8686 | 0 | 0 | 7.0656 | 7.026 | 0 | 1491.31
88 | Moclobemide | 268.739 | 1 | 4 | 1.53604 | 41.57 | 350.941 | 27.984 | -2.42279 | 35 | 0 | 0 | 0 | 0 | 0 | 261.717 | 1 | 12.7947 | 8.75402 | 14.41 | 7.55556 | 7.93388 | 8.75402 | 724 | 35 | 0.521886 | -0.124963 | 0.150059 | -0.0635633 | -0.118828 | 0.252225 | 0.0659025 | -0.0140681 | -0.0129881 | -0.0059213 | 0.00222653 | -0.000137835 | -0.00206243 | 0.686717 | -0.310248 | -0.0666825 | 0.0816612 | -0.0660768 | -0.0731634 | 0.249519 | 2503.16 | 356.427 | 424.611 | 127.167 | 68.4094 | 11.9589 | 12.5839 | 0 | 5.0982 | 51.2206 | 1429.08
0 | Moxalactam | 519.466 | 3 | 15 | -1.71294 | 209.13 | 601.583 | 47.109 | -2.24215 | 55 | 2 | 2 | 1 | 1 | 3 | 920.157 | 1.10526 | 26.1979 | 17.1011 | 28.9941 | 12.9018 | 9.92404 | 17.1011 | 4114 | 55 | 1.70783 | 0.0495348 | 0.217885 | 0.0669672 | -0.523561 | -0.147259 | 0.963565 | -0.011728 | 0.0579538 | -0.13669 | -0.120035 | 0.258718 | -0.215652 | 3.41905 | -1.47229 | 0.413461 | -0.0913497 | -0.551754 | 0.389167 | -0.48407 | 5148.88 | 1053.65 | 1090.69 | 1141.11 | 226.035 | 146.706 | 150.123 | 136.155 | 62.3801 | 118.45 | 2897.67
100 | Nafronyl | 383.524 | 0 | 4 | 4.46641 | 38.77 | 563.134 | 45.331 | -4.79235 | 61 | 0 | 1 | 0 | 1 | 2 | 459.063 | 1.13333 | 19.7694 | 13.6902 | 22.68 | 12 | 11.7036 | 13.6902 | 2245 | 61 | 0.593791 | -0.0521949 | 0.0133065 | -0.274827 | 0.373051 | -0.0249155 | 0.0377419 | -0.0115873 | -0.00727254 | 0.000388113 | -0.000579815 | -7.32053e-06 | -0.000113362 | 0.736214 | -0.32431 | -0.00469463 | 0.0206397 | -0.385847 | 0.469564 | -0.00899818 | 3960.39 | 488.684 | 496.333 | 392.644 | 50.9136 | 17.6695 | 7.96839 | 0 | 35.2047 | 0 | 2771.25
95 | Naltrexone | 341.401 | 2 | 5 | 0.705237 | 70 | 396.867 | 35.602 | -2.18144 | 48 | 0 | 0 | 0 | 0 | 4 | 620.817 | 1.52381 | 16.9743 | 12.0435 | 16 | 5.7474 | 3.33697 | 12.0435 | 1189 | 48 | 0.855791 | -0.25857 | 0.419177 | -0.350582 | -0.0730684 | 0.40922 | 0.0128993 | -0.00387192 | 0.00115757 | -0.00487252 | 0.00044663 | 0.000885615 | -0.000195028 | 0.876822 | -0.361653 | -0.259051 | 0.422387 | -0.374755 | -0.0759428 | 0.462607 | 3295.51 | 407.427 | 367.451 | 320.426 | 70.0644 | 0 | 43.6434 | 14.794 | 22.086 | 39.4591 | 2904.93
99 | Naproxen | 230.259 | 1 | 3 | 2.82934 | 46.53 | 311.158 | 26.404 | -3.00831 | 31 | 0 | 0 | 0 | 0 | 1 | 276.641 | 1.2 | 12.4138 | 8.11339 | 13.4321 | 5.76 | 4.63905 | 8.11339 | 530 | 31 | 0.541924 | 0.0751213 | -0.0418127 | -0.000461751 | 0.00514036 | -0.00303877 | 0.0418168 | -0.0123331 | -0.00846466 | 0.000681737 | -0.00201511 | 0.00220452 | -0.00674646 | 0.666655 | -0.406104 | 0.154127 | -0.0731183 | -0.0096576 | 0.00563748 | -0.0247499 | 2273.02 | 512.717 | 597.3 | 378.702 | 53.1391 | 16.9559 | 0 | 0 | 0 | 0 | 1627.9
70 | Naratriptan | 335.465 | 2 | 5 | 1.6852 | 65.2 | 433.998 | 38.42 | -3.62291 | 48 | 0 | 0 | 0 | 0 | 0 | 388.035 | 1.13333 | 16.4494 | 10.9655 | 17.8112 | 7.48611 | 8.08081 | 10.9655 | 1329 | 48 | 0.509745 | 0.0945779 | -0.089911 | -0.134685 | 0.240165 | -0.114394 | 0.351496 | -0.181458 | 0.0104655 | -0.0105701 | -0.00835229 | -0.0148114 | -0.0230744 | 1.0814 | -0.738199 | 0.406213 | -0.165852 | -0.224891 | 0.253557 | -0.106711 | 3368.26 | 547.763 | 443.857 | 357.133 | 225.409 | 35.9116 | 0 | 0 | 5.01089 | 0 | 2629.34
90 | Nifedipine | 346.335 | 1 | 8 | 2.19732 | 110.45 | 456.504 | 33.998 | -3.89051 | 43 | 0 | 0 | 0 | 0 | 1 | 585.403 | 1 | 18.7233 | 11.773 | 21.3018 | 9.27392 | 6.28231 | 11.773 | 1300 | 43 | 0.752843 | 0.108814 | -0.0531278 | -0.0257834 | 0.190227 | -0.390603 | 0.629366 | -0.327148 | 0.0468049 | -0.00762342 | -0.122462 | 0.274974 | -0.157419 | 1.74711 | -1.12213 | 0.498638 | -0.149146 | -0.119094 | 0.557615 | -1.23685 | 3720.49 | 938.55 | 905.717 | 1602.89 | 129.222 | 47.1607 | 29.5658 | 39.9309 | 61.6416 | 40.298 | 2092.68
100 | Nilutamide | 317.221 | 1 | 7 | 1.88044 | 95.23 | 350.327 | 26.044 | -3.38856 | 32 | 0 | 0 | 0 | 0 | 0 | 514.726 | 1 | 16.8699 | 9.94821 | 18.3403 | 6.13587 | 5.26316 | 9.94821 | 974 | 32 | 0.756515 | 0.377166 | -0.170469 | -0.0873693 | 0.353448 | -0.579454 | 0.649444 | -0.287443 | -0.0188162 | -0.115069 | 0.111247 | 0.106005 | -0.0111951 | 1.9288 | -1.08497 | 0.415235 | -0.272391 | -0.00139595 | 0.484239 | -0.5873 | 3310.49 | 806.679 | 972.91 | 800.806 | 178.881 | 163.737 | 13.766 | 7.93594 | 207.59 | 46.9088 | 1568.26
100 | Norgestrel | 310.43 | 1 | 2 | 3.00279 | 37.3 | 447.746 | 35.448 | -3.5801 | 49 | 0 | 0 | 0 | 0 | 6 | 635.717 | 1.35294 | 16.2423 | 11.0438 | 16.4675 | 5.77156 | 3.66514 | 11.0438 | 1053 | 49 | 0.388249 | -0.0106181 | 0.120146 | -0.0949095 | -0.0654897 | 0.0171834 | 0.0192061 | -0.00888858 | 0.00632517 | -0.00666702 | -0.000522685 | 0.000431408 | -0.000785142 | 0.474742 | -0.24732 | 0.023275 | 0.0924327 | -0.0944401 | -0.063402 | 0.0236661 | 3134.91 | 321.457 | 104.908 | 96.3757 | 27.376 | 0 | 0 | 0 | 0 | 0 | 2789.69
100 | Oxatomide | 426.553 | 1 | 5 | 3.79496 | 38.82 | 557.159 | 51.551 | -5.54458 | 62 | 0 | 0 | 0 | 0 | 0 | 574.464 | 1.07407 | 21.7525 | 15.7928 | 23.7284 | 11.6202 | 10.44 | 15.7928 | 3335 | 62 | 0.577988 | 0.0595562 | -0.0410806 | 0.0544295 | -0.111103 | 0.0590139 | 0.185767 | 0.000992259 | -0.0979647 | -0.0204595 | 0.0100514 | 0.0144897 | 3.73279e-06 | 0.848174 | -0.347721 | 0.00468794 | -0.132259 | 0.0686293 | -0.0905149 | 0.0948742 | 4149.23 | 699.429 | 884.634 | 443.274 | 64.7644 | 49.5137 | 2.95351 | 8.82159 | 0 | 12.2918 | 3516.32
95 | Oxprenolol | 265.348 | 2 | 4 | 2.03571 | 50.72 | 415.165 | 30.019 | -2.17896 | 42 | 0 | 0 | 0 | 0 | 1 | 240.596 | 1 | 14.0876 | 9.13023 | 17.0526 | 9.83365 | 9.52066 | 9.13023 | 834 | 42 | 0.704147 | -0.233178 | 0.382194 | -0.196494 | -0.11776 | 0.180004 | 0.0038926 | 0.00055721 | -0.00130569 | -0.000397109 | -0.000680492 | -0.000129412 | 6.31884e-05 | 0.658518 | -0.284443 | -0.208877 | 0.354113 | -0.189917 | -0.100096 | 0.169355 | 2765.98 | 345.371 | 363.849 | 204.66 | 51.6728 | 0 | 38.7869 | 6.95476 | 0 | 14.4688 | 1405.85
100 | Penbutolol | 291.428 | 2 | 3 | 4.11586 | 41.49 | 461.861 | 34.305 | -3.92331 | 50 | 0 | 0 | 0 | 0 | 1 | 294.084 | 1 | 15.2947 | 9.95531 | 17.3554 | 8.02222 | 10.368 | 9.95531 | 1043 | 50 | 0.527815 | -0.0890223 | 0.116829 | -0.0764487 | 0.0409722 | -0.0461622 | 0.00331882 | -0.000532731 | -0.00034119 | -0.000246579 | -0.000538908 | -1.39191e-16 | 2.25898e-16 | 0.510838 | -0.23157 | -0.0614588 | 0.0977109 | -0.0901578 | 0.0647419 | -0.052848 | 3073.97 | 242.15 | 256.131 | 44.9203 | 32.4403 | 0 | 19.6948 | 7.00999 | 0 | 0 | 1926.96
100 | Phenobarbital | 232.235 | 2 | 5 | 1.32702 | 75.27 | 302.593 | 23.882 | -2.58942 | 29 | 0 | 0 | 0 | 0 | 0 | 338.762 | 1 | 12.4663 | 8.10823 | 13.4321 | 5.32544 | 3.26327 | 8.10823 | 458 | 29 | 0.59359 | 0.417778 | -0.618327 | 0.489406 | -0.165474 | 0.0380079 | 0.259028 | 0.00569389 | -0.110635 | -0.105555 | 0.0799522 | 0.00250054 | -0.00084373 | 1.21078 | -0.509121 | 0.46113 | -1.27322 | 0.897356 | -0.203094 | 0.0895564 | 2416.42 | 549.642 | 579.328 | 486.356 | 86.2634 | 91.5425 | 0 | 61.4362 | 0 | 0 | 1423.75
95 | [NAME] | 280.318 | 1 | 3 | 4.34279 | 46.53 | 361.249 | 32.223 | -4.68914 | 37 | 0 | 0 | 0 | 0 | 1 | 397.758 | 1.125 | 14.8196 | 10.2195 | 15.879 | 7.05078 | 5 | 10.2195 | 858 | 37 | 0.560476 | 0.0645359 | -0.22825 | 0.294859 | -0.00427342 | -0.0695637 | 0.102415 | -0.0274916 | 0.00632078 | -0.0320709 | 0.0117512 | -0.0122952 | 0.00266135 | 0.764047 | -0.498437 | 0.335841 | -0.476789 | 0.409407 | -0.0380096 | -0.0822414 | 2696.25 | 642.766 | 869.344 | 726.065 | 58.8739 | 16.1054 | 0 | 36.5508 | 0 | 0 | 2096.81
98 | Phenylbutazone | 308.374 | 0 | 4 | 3.67956 | 40.62 | 416.372 | 36.379 | -4.7095 | 43 | 0 | 0 | 0 | 0 | 0 | 389.086 | 1 | 16.2338 | 11.2364 | 17.8112 | 8.39273 | 6.42805 | 11.2364 | 1109 | 43 | 0.400215 | -0.0258732 | -0.0605646 | 0.0124808 | 0.0608876 | 0.0670626 | 0.276535 | 0.0812266 | -0.116536 | -0.216482 | 0.0620427 | 0.0205277 | 0.0079043 | 0.84291 | -0.169576 | -0.0396836 | -0.597546 | 0.214047 | 0.239281 | 0.0879539 | 3101.74 | 647.611 | 890.879 | 844.142 | 117.311 | 40.2307 | 40.2307 | 7.9855 | 0 | 0 | 2393.31
90 | Pindolol | 248.321 | 3 | 4 | 1.99231 | 57.28 | 352.552 | 29.338 | -2.61144 | 38 | 0 | 0 | 0 | 0 | 1 | 247.948 | 1.22222 | 12.9578 | 8.6647 | 14.41 | 6.9632 | 7.93388 | 8.6647 | 687 | 38 | 0.668416 | -0.130698 | 0.125058 | 0.0470699 | -0.118874 | -0.0274204 | 0.0752756 | 0.00609971 | -0.0459934 | 0.00619641 | -0.00394055 | 2.20428e-16 | -5.16912e-16 | 0.565837 | -0.260406 | -0.0771857 | 0.154523 | -0.0722488 | -0.0856731 | 0.0529837 | 2522.06 | 294.038 | 400.076 | 43.0012 | 41.8196 | 0 | 19.697 | 20.2735 | 0 | 0 | 1622.16
81 | Piroximone | 217.224 | 2 | 5 | 0.215329 | 71.09 | 274.095 | 23.439 | -1.8585 | 27 | 0 | 0 | 0 | 0 | 0 | 321.682 | 1 | 11.5436 | 7.71955 | 12.4567 | 5.55766 | 5.26446 | 7.71955 | 431 | 27 | 0.526368 | 0.181753 | -0.0361286 | -0.0848962 | 0.0304499 | 0.0355313 | 0.255418 | -0.0243417 | -0.0951078 | 0.00402288 | -0.0828004 | 0.0990043 | -0.000503745 | 0.987539 | -0.44754 | 0.15231 | -0.0330625 | -0.430611 | 0.294565 | 0.10166 | 2209.45 | 538.463 | 706.153 | 465.85 | 78.2376 | 51.591 | 18.0582 | 19.5738 | 13.1571 | 9.10107 | 1276.29
80 | Pizotyline | 295.443 | 0 | 1 | 2.75023 | 3.24 | 376.658 | 35.986 | -4.01524 | 42 | 0 | 0 | 0 | 0 | 0 | 395.616 | 1.2 | 14.2338 | 10.3265 | 14.5833 | 6.24567 | 4.73338 | 10.3265 | 819 | 42 | 0.171714 | -0.086775 | -0.0225614 | 0.019233 | 0.0100431 | -0.0164648 | 0.00429528 | 0.00120749 | -0.00286688 | -0.000503071 | 7.2558e-05 | -6.52074e-05 | 6.04086e-06 | 0.16401 | -0.00578035 | -0.0803295 | -0.0155398 | 0.0111348 | 0.00377529 | -0.00992771 | 2629.81 | 376.354 | 510.303 | 282.419 | 35.2878 | 0 | 0 | 0 | 0 | 0 | 2756.06
96 | Praziquantel | 312.406 | 0 | 4 | 2.42968 | 40.62 | 412.798 | 35.093 | -3.64946 | 47 | 0 | 0 | 0 | 0 | 1 | 471.99 | 1.2 | 15.8112 | 11.2372 | 16.4675 | 7.08692 | 5.5 | 11.2372 | 1134 | 47 | 0.454274 | -0.0390304 | 0.175072 | -0.18615 | 0.0493527 | 0.0238232 | 0.129927 | -0.0224918 | -0.0321536 | -0.000110663 | -0.0321583 | 0.0226833 | -0.000335389 | 0.791626 | -0.392624 | 0.0345862 | 0.196088 | -0.449273 | 0.179001 | 0.0773026 | 3205.61 | 429.892 | 304.461 | 440.977 | 54.0984 | 25.728 | 30.5801 | 0 | 22.1969 | 0 | 2395.35
100 | Procyclidine | 287.44 | 1 | 2 | 4.06416 | 23.47 | 435.261 | 34.729 | -4.09196 | 50 | 0 | 0 | 0 | 0 | 1 | 300.688 | 1 | 14.5458 | 10.2886 | 15.879 | 7.51301 | 7.2 | 10.2886 | 903 | 50 | 0.351787 | -0.0533298 | -0.0362035 | 0.0945594 | -0.0069251 | -0.0403368 | 2.40799e-05 | -3.50661e-06 | -2.94716e-06 | -5.5862e-06 | -7.36498e-18 | -1.63499e-17 | 1.87449e-17 | 0.35144 | -0.127848 | -0.0514605 | -0.0375892 | 0.0953338 | -0.00779566 | -0.0408444 | 2977.98 | 202.12 | 206.762 | 37.4457 | 13.9574 | 0 | 0 | 5.56982 | 0 | 0 | 2245.65
84 | Propiverine | 367.481 | 0 | 4 | 4.43421 | 38.77 | 532.856 | 42.216 | -4.88803 | 56 | 0 | 0 | 0 | 0 | 0 | 422.836 | 1 | 19.1147 | 13.1639 | 21.7027 | 10.6838 | 7.73554 | 13.1639 | 1714 | 56 | 0.641765 | -0.281526 | 0.179857 | 0.195169 | -0.0557401 | -0.127149 | 0.0368005 | -0.0111751 | -0.00883806 | 0.00242102 | -0.000443775 | 0.000132229 | -0.000512002 | 0.786392 | -0.331345 | -0.295646 | 0.210346 | 0.213771 | -0.0886717 | -0.100499 | 3732.46 | 553.25 | 601.121 | 782.786 | 53.0743 | 18.0963 | 31.0402 | 7.89457 | 0 | 6.20413 | 2642.75
95 | Propoxyphene | 339.471 | 0 | 3 | 4.39402 | 29.54 | 529.845 | 40.518 | -4.50612 | 54 | 0 | 0 | 0 | 0 | 2 | 391.273 | 1 | 18.2862 | 11.9752 | 21.3018 | 10.3641 | 8.04432 | 11.9752 | 1364 | 54 | 0.460976 | -0.0220299 | -0.0296379 | 0.0436975 | 0.027247 | -0.00126893 | 0.0376422 | -0.0115844 | -0.00747624 | -0.00055579 | 0.000945102 | 0.000283599 | -6.20419e-05 | 0.60345 | -0.299968 | 0.0245855 | -0.0496351 | 0.0159072 | 0.0163672 | 0.0576374 | 3515.65 | 540.463 | 473.528 | 693.266 | 40.0924 | 18.0738 | 0 | 7.90038 | 0 | 6.04533 | 2589.61
76 | Propylthiouracil | 170.233 | 2 | 3 | 0.599007 | 41.13 | 230.915 | 18.939 | -1.79219 | 21 | 0 | 0 | 0 | 0 | 0 | 207.903 | 1 | 8.26758 | 5.21955 | 9.09091 | 4.13265 | 4.44444 | 5.21955 | 158 | 21 | 0.33173 | 0.272265 | -0.29841 | 0.18896 | -0.0733406 | 0.0481052 | 0.45538 | -0.000549871 | -0.179574 | -0.157629 | 0.110063 | 6.19327e-16 | -6.65044e-16 | 0.851045 | -0.441807 | 0.489544 | -0.842302 | 0.503583 | -0.143852 | 0.0729692 | 1586.25 | 294.1 | 346.494 | 0 | 78.7737 | 75.0398 | 0 | 20.0903 | 0 | 0 | 902.417
100 | Quinagolide | 395.56 | 2 | 6 | 2.26997 | 72.88 | 545.054 | 43.54 | -3.84515 | 60 | 0 | 0 | 0 | 0 | 3 | 477.388 | 1.28571 | 19.6041 | 12.8897 | 21.7027 | 9.21202 | 6.77954 | 12.8897 | 1800 | 60 | 0.6451 | 0.268589 | -0.0631877 | -0.121438 | -0.0175642 | 0.137976 | 0.296439 | -0.193729 | 0.0463617 | -0.000270797 | -0.000581579 | -8.62431e-05 | -0.010172 | 1.3441 | -1.13029 | 0.717257 | -0.14042 | -0.16723 | 0.0124957 | 0.143114 | 4098.43 | 563.38 | 426.191 | 68.9992 | 265.053 | 74.5013 | 5.65682 | 23.7332 | 18.3102 | 7.08267 | 3082.14
60 | Reproterol | 389.406 | 4 | 10 | -0.180305 | 131.16 | 482.013 | 40.057 | -2.47306 | 51 | 0 | 0 | 0 | 0 | 1 | 562.642 | 1.13333 | 20.4219 | 13.2906 | 22.68 | 9.87128 | 7.98677 | 13.2906 | 2414 | 51 | 1.36145 | 0.174117 | -0.0573878 | 0.1287 | -0.0398211 | -0.167763 | 0.400499 | -0.0448431 | -0.170276 | -0.0692974 | 0.194569 | -0.110402 | 5.39614e-17 | 1.89392 | -1.03037 | 0.434949 | -0.758212 | 0.589586 | -0.0499323 | -0.170834 | 3987.58 | 671.995 | 873.407 | 160.266 | 130.362 | 79.04 | 48.8041 | 55.5756 | 35.2683 | 15.3371 | 2354.03
90 | Rizatriptan | 269.345 | 1 | 5 | 1.4414 | 49.74 | 356.355 | 32.47 | -2.69176 | 39 | 0 | 0 | 0 | 0 | 0 | 308.639 | 1.14286 | 13.9494 | 9.72035 | 14.9174 | 6.84 | 8.8128 | 9.72035 | 871 | 39 | 0.472389 | -0.1449 | 0.0212267 | -0.0277192 | 0.0669777 | 0.0358091 | 0.239261 | -0.0525085 | -0.0697212 | -0.00564479 | -0.0160377 | -0.0210937 | 0.0929566 | 0.597086 | -0.196414 | -0.109851 | -0.028906 | 0.0206662 | 0.0257813 | -0.0297646 | 2697.11 | 429.467 | 530.472 | 342.368 | 28.4054 | 7.09275 | 0 | 0 | 4.95414 | 10.2151 | 2013.44
91 | Saccharin | 183.186 | 1 | 4 | 0.452978 | 63.24 | 184.127 | 17.332 | -1.87145 | 17 | 0 | 0 | 0 | 0 | 0 | 218.697 | 1.22222 | 8.76758 | 5.61099 | 8.59172 | 2.75 | 2.77778 | 5.61099 | 170 | 17 | 0.366076 | 0.217133 | -0.256089 | 0.158508 | -0.0268708 | -0.0208526 | 0.370102 | -0.173846 | 0.0248866 | -0.111804 | 0.0825073 | -0.00679473 | 2.69834e-17 | 1.26346 | -0.792135 | 0.589378 | -0.827597 | 0.494439 | -0.0350201 | -0.0607963 | 1731.06 | 618.97 | 846.413 | 130.039 | 246.667 | 58.6738 | 43.0595 | 21.8 | 0 | 0 | 1026.23
82 | Sorivudine | 349.135 | 4 | 8 | -1.17957 | 119.33 | 353.645 | 27.327 | -1.07618 | 33 | 0 | 0 | 0 | 0 | 4 | 456.685 | 1 | 14.8614 | 9.4896 | 16.3719 | 6.84 | 5.05785 | 9.4896 | 782 | 33 | 1.18399 | 0.0978712 | 0.157335 | -0.193004 | 0.130901 | -0.175335 | 0.293996 | 0.00963355 | -0.102259 | -0.116069 | 0.0486268 | -0.00130695 | 0.0203789 | 1.71017 | -0.791498 | 0.174845 | -0.379373 | 0.0609566 | 0.0585042 | -0.0937744 | 2823.47 | 441.668 | 512.215 | 337.373 | 143.501 | 95.4654 | 67.4066 | 80.7646 | 118.492 | 35.1737 | 1472.19
100 | Stavudine | 224.213 | 2 | 6 | -0.743425 | 78.87 | 277.647 | 21.592 | -0.898644 | 28 | 0 | 0 | 0 | 0 | 2 | 366.321 | 1 | 11.7067 | 7.61339 | 12.4567 | 5.10417 | 4.81664 | 7.61339 | 433 | 28 | 0.765504 | 0.348483 | -0.234239 | 0.0666883 | -0.0067686 | -0.0957922 | 0.292707 | 0.00133266 | -0.108123 | -0.102736 | 0.063588 | -0.000558209 | 0.000616571 | 1.31276 | -0.651718 | 0.398127 | -0.760714 | 0.449613 | -0.0943137 | -0.095814 | 2310.87 | 395.695 | 455.039 | 172.417 | 99.1046 | 92.6365 | 12.0879 | 48.7268 | 19.1 | 9.11506 | 1108.45
95 | Sulfamethazine | 278.331 | 3 | 6 | 0.463179 | 97.97 | 337.983 | 29.574 | -2.7747 | 33 | 0 | 0 | 0 | 0 | 0 | 287.454 | 1 | 14.0436 | 8.86501 | 15.39 | 6.18549 | 6.32099 | 8.86501 | 722 | 33 | 0.523289 | 0.403636 | -0.37719 | 0.189447 | -0.193353 | 0.406262 | 0.408582 | -0.249103 | 0.114517 | -0.249331 | 0.279485 | -0.0925481 | 0.016936 | 1.46393 | -1.16426 | 1.05148 | -1.31109 | 1.06913 | -0.65565 | 0.806028 | 2709.24 | 782.155 | 1016.42 | 733.909 | 254.104 | 60.5784 | 46.6612 | 23.377 | 50.2244 | 41.2623 | 1755.4
100 | [NAME] | 408.513 | 3 | 7 | 2.33626 | 99.88 | 554.614 | 43.661 | -4.18501 | 56 | 0 | 1 | 0 | 1 | 1 | 442.819 | 1 | 20.5707 | 13.3459 | 24.2711 | 12 | 10.5625 | 13.3459 | 2488 | 56 | 0.924858 | -0.0820377 | 0.0516079 | 0.206335 | -0.22192 | -0.211064 | 0.319742 | -0.222988 | 0.0782566 | -0.0121598 | 0.000864533 | -0.00384478 | -0.000378791 | 1.57481 | -1.02486 | 0.391738 | -0.343799 | 0.413985 | -0.0958182 | -0.501738 | 4113.27 | 814.476 | 942.794 | 138.121 | 284.028 | 34.4018 | 85.4141 | 43.866 | 0 | 28.9821 | 2506.44
90 | Telmisartan | 514.617 | 1 | 6 | 7.82182 | 72.94 | 631.509 | 63.734 | -9.22351 | 69 | 2 | 2 | 1 | 1 | 0 | 830.522 | 1.13333 | 27.0953 | 18.9399 | 29.0888 | 12.7007 | 10.344 | 18.9399 | 5229 | 69 | 0.822804 | 0.116817 | 0.102187 | -0.176784 | 0.117824 | -0.0304095 | 0.254485 | -0.00479971 | -0.108078 | -0.0116987 | 0.0171146 | -0.00566122 | -0.00561176 | 1.10606 | -0.665045 | 0.234758 | 0.0557724 | -0.236641 | 0.0654086 | 0.0708993 | 4897.67 | 1087.36 | 1613.07 | 1461.25 | 55.4635 | 24.1075 | 0 | 0 | 13.2578 | 5.56903 | 4931.85
100 | Tetrabenazine | 317.423 | 0 | 4 | 2.67112 | 38.77 | 459.536 | 35.452 | -3.28385 | 50 | 0 | 0 | 0 | 0 | 2 | 424.838 | 1.28571 | 16.5601 | 11.0284 | 17.8112 | 7.48611 | 5.5 | 11.0284 | 1164 | 50 | 0.568735 | -0.222786 | 0.110574 | -0.017461 | 0.0699795 | -0.0830028 | 0.0132037 | -0.00399018 | -0.00109425 | -0.00169252 | -0.00192888 | 0.000384081 | 0.00412635 | 0.588203 | -0.182621 | -0.188859 | 0.0810783 | -0.0187709 | 0.0980578 | -0.106857 | 3299.39 | 396.111 | 335.669 | 190.817 | 58.509 | 0 | 18.5707 | 7.39114 | 7.4249 | 7.42647 | 2315.54
6 | Tiludronic_acid | 300.57 | 4 | 6 | 0.680489 | 115.06 | 322.635 | 23.704 | -1.76153 | 28 | 0 | 0 | 0 | 0 | 0 | 242.4 | 1 | 13.2676 | 7.60419 | 15.0588 | 5.32544 | 5.92817 | 7.60419 | 514 | 28 | 1.41692 | 1.04495 | -1.47475 | 1.45413 | -0.594119 | 0.176387 | 0.154602 | -0.0592056 | 0.0114745 | -0.0596637 | 0.0313667 | -0.00570076 | 0.00302635 | 2.04919 | -1.65142 | 1.60184 | -2.22937 | 1.95431 | -0.725062 | 0.259825 | 2462.27 | 616.894 | 588.232 | 626.309 | 115.882 | 84.255 | 0 | 127.787 | 0 | 0 | 1273.25
90 | Tolbutamide | 270.349 | 2 | 5 | 2.14104 | 75.27 | 367.788 | 28.758 | -3.33749 | 36 | 0 | 0 | 0 | 0 | 0 | 266.048 | 1 | 13.596 | 8.45353 | 16.0556 | 7.55556 | 7.25898 | 8.45353 | 685 | 36 | 0.49131 | 0.377329 | -0.35898 | 0.178855 | -0.0258977 | 0.0773665 | 0.446129 | -0.184782 | 0.0205844 | -0.164119 | 0.112357 | -0.00623854 | 0.00232224 | 1.49987 | -1.00738 | 0.801347 | -1.09504 | 0.685854 | -0.112157 | 0.135135 | 2820.3 | 622.188 | 751.583 | 309.249 | 259.471 | 84.1169 | 87.6472 | 44.5338 | 0 | 0 | 1596.14
99 | [NAME] | 257.285 | 1 | 4 | 2.62166 | 59.3 | 341.735 | 29.165 | -3.26844 | 34 | 0 | 0 | 0 | 0 | 0 | 347.3 | 1 | 13.9912 | 8.98607 | 15.39 | 6.6352 | 6.32099 | 8.98607 | 736 | 34 | 0.625929 | -0.019343 | -0.138377 | 0.389638 | -0.0906818 | -0.332947 | 0.156275 | -0.0315758 | -0.0168942 | -0.0282849 | -0.00804878 | 0.00827671 | -0.0178448 | 0.799025 | -0.435945 | 0.121162 | -0.165705 | 0.263278 | 0.0227553 | -0.510463 | 2603.45 | 574.462 | 636.322 | 487.319 | 57.7709 | 16.9572 | 11.5575 | 27.4548 | 0 | 0 | 1763.47
86 | Topiramate | 339.363 | 2 | 9 | -0.601688 | 115.54 | 413.552 | 29.919 | -1.34751 | 43 | 0 | 0 | 0 | 0 | 4 | 458.407 | 1.33333 | 16.3889 | 9.91676 | 16.8438 | 4.99703 | 6.20408 | 9.91676 | 948 | 43 | 1.1291 | 0.471277 | -0.240898 | -0.246233 | 0.491871 | -0.297083 | 0.29113 | -0.192719 | 0.0471535 | 4.10793e-16 | 6.17279e-16 | 4.01323e-16 | -4.00092e-15 | 1.88469 | -1.53744 | 1.00979 | -0.271307 | -0.620166 | 0.758963 | -0.379108 | 3468.99 | 452.014 | 276.999 | 238.614 | 344.31 | 138.268 | 80.2874 | 173.558 | 173.16 | 113.841 | 1745.53
95 | [NAME] | 263.375 | 1 | 3 | 2.3738 | 32.7 | 408.27 | 30.635 | -2.57752 | 44 | 0 | 0 | 0 | 0 | 2 | 281.922 | 1 | 13.8805 | 9.0587 | 15.39 | 6.6352 | 5.12 | 9.0587 | 670 | 44 | 0.496979 | -0.0982957 | 0.0101058 | 5.929e-05 | 0.148774 | -0.224496 | 0.00341259 | -0.000452481 | -0.000425256 | -0.000297924 | -0.000530635 | -8.18045e-17 | 2.65032e-16 | 0.480386 | -0.187158 | -0.0735885 | 0.0219394 | -0.0202423 | 0.158443 | -0.230426 | 2746.21 | 242.03 | 274.466 | 57.7114 | 32.2822 | 0 | 0 | 5.43623 | 14.3668 | 0 | 1885.24
55 | Tranexamic_acid | 157.21 | 3 | 3 | 0.232346 | 63.32 | 243.387 | 16.754 | -0.761517 | 26 | 0 | 0 | 0 | 0 | 0 | 139.027 | 1 | 8.26758 | 5.23638 | 9.09091 | 4.13265 | 3.78698 | 5.23638 | 162 | 26 | 0.482298 | 0.105012 | 0.010377 | -0.0124094 | -0.06079 | -0.0427343 | 0.0381468 | -0.0117601 | -0.00731326 | -7.37832e-16 | 4.54876e-16 | -5.22799e-16 | -2.94773e-16 | 0.624162 | -0.417962 | 0.158794 | -0.0203506 | -0.00533021 | -0.0657702 | -0.072518 | 1762.62 | 161.079 | 56.7984 | 0 | 36.6938 | 16.9147 | 0 | 0 | 0 | 0 | 823.798
100 | Trazodone | 371.864 | 0 | 6 | 3.85359 | 42.8 | 452.528 | 40.313 | -5.73441 | 48 | 0 | 0 | 0 | 0 | 0 | 534.023 | 1.09524 | 17.9325 | 12.7035 | 19.3222 | 9 | 8.71006 | 12.7035 | 2003 | 48 | 0.570164 | 0.0473392 | -0.0660473 | 0.0694385 | -0.0392612 | 0.0126856 | 0.628706 | 0.451244 | 0.668563 | 0.427646 | 0.136967 | 0.00122761 | -1.18788e-15 | 0.79979 | 0.337074 | 0.526606 | 0.315436 | 0.205143 | 0.0450671 | 0.0319511 | 3489.36 | 1137.16 | 1646.8 | 116.911 | 109.759 | 0 | 38.304 | 20.1876 | 9.44683 | 9.57839 | 2415.54
97 | Trimethoprim | 290.318 | 4 | 7 | 0.71615 | 105.51 | 386.673 | 30.881 | -2.47217 | 39 | 0 | 0 | 0 | 0 | 0 | 306.594 | 1 | 15.4054 | 10.0832 | 17.3554 | 8.02222 | 5.95041 | 10.0832 | 946 | 39 | 0.937963 | 0.0527487 | -0.00373603 | 0.356001 | -0.398072 | -0.384189 | 0.1253 | -0.0713006 | 0.0376468 | -0.00799502 | -0.027394 | 0.0179139 | -0.00399469 | 1.10824 | -0.780833 | 0.512933 | -0.365893 | 0.372098 | -0.212218 | -0.616101 | 2917.88 | 590.073 | 768.047 | 463.854 | 88.5554 | 19.4131 | 37.2704 | 38.2346 | 0 | 0 | 1659.25
98 | Ximoprofen | 261.316 | 2 | 4 | 2.15927 | 69.89 | 368.102 | 28.469 | -2.86354 | 38 | 0 | 0 | 0 | 0 | 2 | 339.903 | 1 | 13.8281 | 9.11339 | 15.39 | 7.1358 | 5.87755 | 9.11339 | 764 | 38 | 0.555961 | 0.0488374 | -0.0270077 | -0.0206664 | 0.0375126 | -0.0242503 | 0.052422 | -0.0211439 | -0.00545478 | 0.000717477 | -0.000569613 | 0.000601089 | -0.000637323 | 0.70376 | -0.367681 | 0.071905 | -0.058328 | -0.0161983 | 0.053329 | -0.0367454 | 2699.46 | 502.476 | 325.739 | 404.733 | 73.6912 | 16.9558 | 0 | 0 | 0 | 0 | 1688.7
100 | Zaleplon | 305.334 | 0 | 6 | 1.68994 | 74.29 | 388.692 | 35.788 | -3.47576 | 38 | 0 | 0 | 0 | 0 | 0 | 486.621 | 1.13333 | 16.397 | 11.1514 | 17.8112 | 7.92 | 6.09418 | 11.1514 | 1169 | 38 | 0.4437 | 0.0495497 | -0.161291 | 0.0814888 | 0.0208795 | -0.0834745 | 0.577383 | -0.224792 | -0.0186972 | -0.0231441 | 0.0672268 | -0.0208229 | 0.0109846 | 1.28608 | -0.613693 | 0.132041 | -0.35497 | 0.436718 | -0.165842 | -0.0510903 | 3050.16 | 732.436 | 998.116 | 838.559 | 59.3591 | 22.5463 | 2.55509 | 11.3966 | 20.3208 | 7.91074 | 2425.52
2 | Zanamivir | 332.31 | 9 | 11 | -2.07712 | 198.22 | 433.379 | 30.55 | -0.692103 | 43 | 2 | 2 | 1 | 1 | 5 | 480.782 | 1 | 17.7317 | 10.6668 | 21.0435 | 9.47461 | 7.18367 | 10.6668 | 1114 | 43 | 1.7186 | 0.196999 | 0.276183 | -0.439937 | 0.231692 | -0.237655 | 0.27823 | -0.0504287 | -0.0837451 | 0.00934131 | 0.0434771 | -0.019929 | -0.121784 | 2.31369 | -1.45543 | 0.458968 | 0.147074 | -0.44061 | 0.244464 | -0.776124 | 3499.71 | 529.785 | 371.043 | 612.222 | 143.983 | 47.2998 | 107.92 | 57.03 | 117.327 | 116.559 | 1686.6