Name LBL dD21vdw dD21fg dP21 dHAcid21 dHBase21 YED21 YEA21 MVol18 Acebutolol β 9.37 15.55 9.46 3.73 8.4 43.54 20.56 299.138 alprenolol β 9.34 14.8 4.79 2.3 7.32 32.97 13.28 245.901 atenolol β 9.55 15.56 8.72 4.91 9.41 40.36 26.3 236.662 betaxolol β 9.3 15.24 5.16 2.09 6.9 33.48 12.78 286.348 bisoprolol β 9.24 14.49 5.36 1.73 7.05 38.06 11.46 315.108 bunolol β 9.47 15.41 7.59 2.07 7.49 30.26 11.8 258.165 carteolol β 9.55 15.56 8.44 2.71 8.52 46.57 16.03 253.054 carvedilol β 9.59 17.1 7.53 2 8.66 37.07 16.44 321.729 celiprolol β 9.27 15.58 9.13 2.5 8.42 53.05 22.63 339.967 esmolol β 9.44 14.97 5.74 2.01 8.2 35.23 14.23 271.548 labetalol β 9.5 16.24 7.46 6.92 8.87 36.72 34.89 279.998 levobunolol β 9.47 15.41 7.59 2.07 7.49 30.26 11.8 258.165 metipranolol β 9.42 15.13 4.62 1.74 7.23 33.16 13.08 284.789 metoprolol β 9.37 14.9 5.76 2.25 7.71 34.82 14.12 257.421 nadolol β 9.46 15.39 6.71 5.73 11.37 45.05 26.71 270.642 oxprenolol β 9.43 14.92 5.67 2.22 8.11 33.55 12.85 251.018 pindolol β 9.62 16.05 6.9 4.82 8.54 42.44 16.86 218.437 propranolol β 9.54 15.95 5.14 2.38 7.98 33.38 14.01 236.594 sotalol β 9.81 15.96 11.19 3.73 10.3 56.64 32.52 224.053 timolol β 9.64 15.6 10.38 3.51 9.76 88.08 18.86 265.882 amfepramone S 9.47 14.42 4.79 0 3.41 29.06 6.13 214.431 amiphenazole S 10.36 17.61 7.46 5.15 10.75 67.83 21.69 149.996 amphetamine S 9.74 14.98 3.22 1.2 5.63 21.75 7.04 142.685 amphetaminil S 9.44 15.63 5 0.62 4.61 26.69 7.87 237.112 benfluorex S 9.79 14.1 4.52 0.17 3.62 22.52 3.42 295.774 benzphetamine S 9.32 15.26 2.09 0 3.21 25.14 4.11 245.663 benzylpiperazine S 9.73 15.43 4.65 0.16 6.31 41.27 8.54 177.124 clobenzorex S 9.66 15.82 3.07 0.25 4 22.84 5.52 237.371 cocaine S 9.74 14.82 5.31 0 4.89 31.33 5.03 263.101 cropropamide S 9.31 14.67 10.14 0.14 6.32 37.08 12.01 242.791 crotetamide S 9.41 14.74 10.85 0.15 6.67 39.27 12.76 225.212 dimethylamphetamine S 9.43 14.22 2.15 0 3.3 29.55 4 183.141 famprofazone S 9.18 15.36 3.66 0 4.67 55.53 6.68 360.609 fencamine S 9.41 16.49 7.94 0.64 6.73 106.59 18.31 328.749 fenetylline S 9.49 15.97 8.82 1.99 6.86 98.93 12.4 296.38 fenfluramine S 9.97 12.7 2.66 0.35 3.09 23.48 4.78 212.561 fenproporex S 9.47 14.89 6.21 0.74 5.24 31.59 9.08 189.803 furfenorex S 9.48 14.77 3.19 0 4.02 25.94 5.55 229.229 mefenorex S 9.61 14.85 4.01 0.69 4.34 26.44 6.47 205.055 mephentermine S 9.44 14.22 2.27 0.28 3.71 26.97 4.88 180.496 methamphetamine S 9.57 14.73 2.75 0.23 4.69 31.4 5.7 161.947 p-methylamphetamine S 9.6 15.26 3.76 1.17 5.43 19.71 7.32 158.177 methylenedioxyamphetamine S 10.1 15.84 5.76 1.09 7.82 190.63 38.61 157.894 methylenedioxymethamphetamine S 9.92 15.54 5.11 0.25 6.8 183.34 34.5 177.156 modafinil S 9.9 16.85 9.83 2.66 6.38 28.1 21.31 227.568 norfenfluramine S 10.3 12.74 3.08 1.11 3.92 16.3 5.96 176.038 phendimetrazine S 9.69 14.55 3.56 0 4.81 36.22 6.74 194.733 phenmetrazine S 9.84 14.93 4.56 0.55 5.03 29.7 7.59 176.928 phentermine S 9.58 14.39 2.64 1.16 4.45 17.85 5.99 161.235 4-phenylpiracetam S 9.97 16.29 10.31 3.34 7.34 67.12 23.78 183.345 prenylamine S 9.77 13.35 4.1 1.82 7.04 26.69 8.8 105.658 prolintane S 9.31 14.68 1.83 0 3.4 23.27 4.43 231.176 Adrenaline S 10.13 16.17 8.4 14.53 13.33 50.51 65.74 150.187 cathine S 9.9 15.28 5.22 4.68 10.21 34.25 21.47 143.478 ephedrine S 9.73 15.02 4.57 3.4 8.85 42.17 18.73 162.74 etamivan S 9.82 15.71 9.86 4.47 7.91 30.48 27.16 198.816 etilefrine S 9.84 15.52 6.26 8.79 9.97 43.72 40.4 165.145 fenbutrazate S 9.33 14.97 3.44 0 4.67 28.09 6.48 346.411 fencamfamin S 9.48 15.19 2.15 0.48 3.07 29.39 4.74 213.441 heptaminol S 9.36 13.41 4.94 3.87 8.56 34.23 19.9 160.198 isometheptene S 9.2 13.33 2.64 0.12 4.36 29.81 5.21 175.006 levmetamfetamine S 9.57 14.73 2.75 0.23 4.69 31.4 5.7 161.947 meclofenoxate S 9.96 15.04 5.69 0 6.11 30.88 7.17 221.56 methylephedrine S 9.58 14.51 3.83 2.5 7.14 39.41 15.91 183.933 methylhexaneamine S 9.31 12.63 2.75 1.27 4.62 18.76 5.66 148.594 methylphenidate S 9.7 14.89 3.62 0.29 5.06 22.15 6.99 221.324 nikethamide S 9.85 15.38 10.34 0.01 6.59 45.43 12.2 167.575 norfenefrine S 10.21 16.22 7.62 11.67 12.57 39.54 50.08 128.622 octopamine S 10.21 16.39 8.37 11.71 13.46 40.25 51.17 128.019 oxilofrine S 9.85 15.63 6.53 8.65 10.6 43.1 40.94 164.717 parahydroxyamphetamine S 9.89 15.7 5.59 7.44 7.85 23.97 33.6 144.663 pemoline S 10.55 16.5 8.85 1.61 5.62 56.09 19.22 132.05 pentetrazol S 10.34 17.06 9.64 0 6.22 99.58 14.51 120.481 propylhexedrine S 9.29 13.82 2.06 0.25 3.84 27.28 4.58 180.641 pseudoephedrine S 9.73 15.02 4.57 3.4 8.85 42.17 18.73 162.74 selegiline S 9.34 14.38 2.6 0 3.22 28.19 4.62 204.349 sibutramine S 9.33 14.56 2.83 0 2.59 19.28 4.67 284.503 strychnine S 9.86 17.09 4.81 0 4.34 65.8 8.21 251.253 tuaminoheptane S 9.29 12.96 3.06 1.28 5.23 19.29 6.5 147.973 Acetazolamide D 11.03 16.63 22.52 5 14.28 95.22 36.88 132.716 amiloride D 10.73 17.73 18.45 12.25 14.46 107.64 42.09 139.922 bumetanide D 9.93 16.84 9.82 2.84 9.17 40.56 47.34 268.688 canrenone D 9.49 15.56 6.76 0 3.82 22.84 9.69 307.723 chlorthalidone D 10.51 17.69 14.72 2.19 10.91 46.73 25.25 211.948 etacrynic acid D 10.33 15.61 7.44 2.05 6.38 15.8 43.99 222.593 furosemide D 10.55 17.13 12.23 3.47 10.59 45.31 59.47 207.767 indapamide D 10.15 17.69 15.01 4.12 8.53 58.17 22.16 252.352 metolazone D 10.19 16.82 11.99 0 8.86 60.44 34.63 258.949 spironolactone D 9.47 15.68 6.72 0 3.75 23.23 9.39 362.793 bendroflumethiazide D 10.52 15.3 14.15 0 9.36 35.76 36.28 272.458 chlorothiazide D 11.21 17.04 19.52 0.48 10.34 35.76 53.02 161.292 hydrochlorothiazide D 11.1 17.09 21.12 0 13.44 45.9 53.41 170.481 triamterene D 10.23 18.64 11.31 5.81 11.62 115.57 27 182.116 1-androstenediol H 9.34 15.31 4.06 2.36 7.32 27.16 19.61 278.201 1-androstenedione H 9.45 15.53 6.06 0 2.95 24.88 8.33 272.721 bolandiol H 9.43 15.39 3.87 3.48 7.57 29.33 20.19 255.236 bolasterone H 9.25 15.34 4.72 0 5.03 27.07 13.55 309.665 boldenone H 9.46 15.52 4.95 0.4 5.52 26.76 14.55 268.474 boldione H 9.52 15.8 5.97 0 3.46 24.92 8.74 264.07 calusterone H 9.25 15.34 4.72 0 5.03 27.07 13.55 309.665 clostebol H 9.58 15.59 4.8 0.43 5.22 24.77 13.7 284.033 danazol H 9.43 15.63 4.79 0 5.49 34.63 14.06 304.465 dehydrochlormethyltestosterone H 9.56 15.6 4.96 0 5.4 26.91 14.27 297.329 drostanolone H 9.26 15.06 4.72 0.38 4.47 25.18 12.91 301.317 ethylestrenol H 9.2 15.11 2.94 0.16 4.82 21.28 11.97 287.267 fluoxymesterone H 9.53 15.08 5.43 0.99 7.47 33.7 20.28 296.553 formebolone H 9.48 15.74 7.14 0.84 8.22 36.03 22.2 301.338 furazabol H 9.42 15.43 5.56 0 5.38 46.11 14.69 302.685 gestrinone H 9.46 16.09 5.01 0.15 6.2 27.41 15 274.731 4-hydroxytestosterone H 9.47 15.62 5.95 2.28 7.62 33.21 21.42 276.021 mestanolone H 9.27 15.34 5.07 0 4.94 28.26 13.78 297.829 mesterolone H 9.26 15.06 4.72 0.38 4.47 25.18 12.91 301.317 metenolone H 9.32 15.29 4.61 0.38 4.96 25.22 13.37 292.665 methandienone H 9.38 15.55 5.05 0 5.57 28.67 14.68 285.473 methandriol H 9.27 15.36 4.2 1.15 7.26 28.98 19.47 295.2 methasterone H 9.2 15.12 4.82 0 4.56 27 13.11 318.317 methyl-1-testosterone H 9.32 15.31 5.15 0 5.06 28.56 14.19 294.125 methylnortestosterone H 9.41 15.7 4.99 0.15 5.54 29.44 14.51 267.832 metribolone H 9.53 16.27 4.92 0.08 6.63 28.59 15.61 252.147 mibolerone H 9.32 15.44 4.72 0.11 5.11 28.03 13.75 288.319 nandrolone H 9.49 15.67 4.89 1.4 5.49 27.5 14.36 250.832 19-norandrostenedione H 9.53 15.55 6.1 0 2.76 24.62 8.18 251.371 norboletone H 9.27 15.35 4.7 0.21 5.05 27.3 13.31 302.352 norclostebol H 9.67 15.72 4.81 1.34 5.31 25.65 13.92 262.688 oxabolone H 9.56 16.03 5.83 3.36 8.27 34.4 22.19 249.728 oxandrolone H 9.4 15.01 6.62 0 5.54 27.04 15.55 290.716 oxymesterone H 9.4 15.9 5.81 1.12 7.92 34.5 21.26 288.073 oxymetholone H 9.33 15.64 5.83 1.32 7.13 30.38 19.93 308.462 prostanozol H 9.26 15.33 4.25 0.48 3.07 31.71 7.24 370.789 quinbolone H 9.29 15.44 3.83 0 3.4 18.01 6.78 333.181 stanozolol H 9.31 15.77 5.26 1.22 5.11 38.78 14.49 307.968 stenbolone H 9.32 15.29 4.61 0.38 4.96 25.22 13.37 292.665 1-testosterone H 9.4 15.26 5.06 0.4 4.99 26.68 14.03 277.125 tetrahydrogestrinone H 9.38 15.85 4.63 0.15 6 26.46 14.25 286.668 trenbolone H 9.54 16.12 3.67 0 3.86 16.04 6.89 232.918 androstenediol H 9.34 15.31 4.06 2.36 7.32 27.16 19.61 278.201 dihydrotestosterone H 9.34 15.29 4.98 0.44 4.86 26.4 13.6 280.829 prasterone H 9.39 15.58 5.03 0.39 5.36 25.4 14.12 273.797 testosterone H 9.4 15.54 4.88 0.44 5.39 26.47 14.1 272.178 Buprenorphine N 9.33 15.57 3.18 0.48 5.19 64.1 34.05 408.266 dextromoramide N 9.33 15.91 4.59 0 4.51 31.95 7.07 355.83 diamorphine N 9.83 15.63 3.77 0 6.14 78.16 28.87 294.337 fentanyl N 9.29 15.82 5.62 0 5.06 32.81 8.05 316.573 hydromorphone N 10 16.87 5.73 0.61 6.23 96.39 50.42 219.858 methadone N 9.22 14.8 2.61 0 2.7 24.05 4.3 319.27 morphine N 10 16.54 4.7 2.86 8.66 98.8 57.35 220.558 oxycodone N 9.95 16.99 6.99 0 8.56 98.94 40.81 238.845 oxymorphone N 10.06 17.24 7.35 1.45 9.31 105.41 58.58 220.214 pentazocine N 9.31 15.38 3.34 2.19 4.43 26.23 18.6 281.796 pethidine N 9.57 14.66 3.94 0 5.51 29.46 7.53 244.499 Trimetazidine  TMZD 9.71 15.65 6.37 0 8.83 37.92 23.02 238.855 Dipyridamole DPDM 9.27 17.69 11.47 6.45 11.62 97.33 29.58 406.154 Dilazep DLZP 9.32 15.37 7.31 0 7.46 30.2 18.27 507.818 Trapidil TRPD 9.8 16.45 8.89 3.15 6 86.74 14 186.639 Nicorandil NICRD 10.48 15.72 14.07 3.53 9.37 105.04 24.67 153.631 Isosorbide ISOSB 10.81 15.03 10.6 8.91 16.19 69.89 44 108.291

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