table s2 - university of california, san...
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Table S2. The Values Of Oral Bioavailability and the Studied Properties for 768 Compounds in the Database
No Name %F MW logP logD Nrot TPSA NHBA NHBD NHB
1 Carbimazole 0 186.23 0.34 0.34 3 64.87 4 0 4
2 Cefacetrile 0 339.32 -4.20 0.85 9 162.10 9 2 11
3 Cefodizime 0 584.67 -2.23 2.55 13 304.48 13 5 18
4 Cefoxitin 0 427.45 -3.08 0.63 10 201.80 10 4 14
5 Cefpodoxime_proxetil 0 557.60 2.09 2.17 14 234.51 14 3 17
6 Ceftazidime 0 547.58 -3.28 -2.84 12 241.93 13 5 18
7 Ceftizoxime 0 383.40 -3.11 0.59 7 200.75 10 4 14
8 Ceftriaxone 0 554.58 -5.02 -0.24 11 291.31 15 5 20
9 Cephalothin 0 396.44 -2.26 1.45 9 166.55 8 2 10
10 Cephapirin 0 423.46 -2.91 0.79 10 176.50 9 2 11
11 Alcuronium 0 666.89 -3.07 -3.07 8 46.94 6 2 8
12 Dimercaprol 0 124.22 0.63 0.64 5 97.83 1 1 2
13 Edrophonium 0 166.24 -2.33 -2.58 3 20.23 2 1 3
14 Epirubicin 0 557.55 1.00 2.63 11 206.07 12 7 19
15 Gentamicin_C1 0 477.60 -7.66 -1.89 10 199.73 12 11 23
16 Gentamicin_C1a 0 448.55 -5.21 -0.63 9 187.70 11 10 21
17 Amdinocillin_pivoxil 0 439.57 2.20 2.97 8 113.81 8 0 8
18 Amikacin 0 585.60 -8.67 -3.34 19 331.94 18 17 35
19 Isoproterenol 0 197.23 0.27 0.44 6 72.72 4 4 8
20 Lucifer_Yellow_CH 0 460.40 -7.30 -2.81 8 268.08 15 9 24
21 Meropenem 0 383.46 -5.21 -2.59 8 135.48 8 3 11
22 Mivacurium 0 1029.26 0.37 0.37 30 144.90 16 0 16
23 Ampiroxicam 0 447.46 3.12 3.12 9 132.51 10 1 11
24 Pancuronium 0 572.86 0.74 0.74 6 52.60 6 0 6
25 Pentamidine 0 340.42 -0.53 2.47 10 118.20 6 6 12
26 Arbekacin 0 552.62 -10.43 -4.00 16 297.27 16 16 32
27 Raffinose 0 504.44 -2.50 -2.50 19 268.68 16 11 27
28 Atracurium 0 929.14 1.04 1.04 26 126.44 14 0 14
29 Ticarcillin 0 386.44 -3.39 1.32 9 189.20 8 4 12
30 Vecuronium 0 557.83 0.91 1.79 6 55.84 6 0 6
31 Azlocillin 0 461.49 -4.06 -0.34 9 173.45 11 4 15
32 Vidarabine 0 267.24 -1.02 -1.02 5 139.54 9 5 14
33 Clodronate 1 244.89 -7.92 -2.38 6 140.34 6 4 10
34 Alendronic_acid 1 249.10 -7.92 -3.52 10 180.93 8 7 15
35 Alfentanil 1 416.52 0.42 0.44 10 81.05 9 0 9
36 Diacetylmorphine 1 383.44 1.04 2.04 4 65.07 6 0 6
37 Dihydroergotamine 1 583.68 2.05 3.52 6 118.21 10 3 13
38 Emepronium 1 282.44 -1.58 -1.58 6 0.00 1 0 1
39 Fentanyl 1 336.47 2.53 3.89 7 23.55 3 0 3
40 Fluticasone_propionate 1 500.57 3.73 3.73 7 105.97 5 1 6
41 HI-240 1 367.24 1.59 1.59 3 62.96 4 1 5
42 Ibandronate 1 319.23 -5.06 -0.65 14 158.15 8 5 13
43 Imipenem 1 299.35 -4.79 -2.29 8 141.52 7 4 11
44 Kanamycin 1 526.54 -5.30 -2.96 15 285.69 16 14 30
45 Lactulose 1 342.30 -3.21 -3.22 13 189.53 11 8 19
46 Nystatin 1 926.09 -0.49 2.08 14 319.61 18 13 31
47 Ouabain 1 584.65 -1.64 -1.64 12 206.60 12 8 20
48 Oxitropium 1 332.41 -2.36 -2.36 7 59.06 5 1 6
49 Pamidronate 1 235.07 -7.87 -3.40 9 180.93 8 7 15
50 Acarbose 1 645.60 -4.17 -4.16 22 321.17 19 14 33
51 Risedronic_acid 1 283.11 -8.32 -2.94 9 167.80 8 5 13
52 Streptomycin 1 581.57 -6.43 -2.53 18 331.43 19 16 35
53 Terfenadine 1 471.67 4.38 6.51 11 43.70 3 2 5
54 Tobramycin 1 467.51 -8.72 -3.41 11 268.17 14 15 29
55 Aztreonam 1 435.43 -5.47 -0.66 10 238.20 13 5 18
56 Barnidipine 1 477.51 1.96 2.39 8 113.69 9 1 10
57 Benzthiazide 1 431.94 2.21 2.22 5 151.96 7 2 9
58 Buspirone 2 385.50 3.37 3.43 6 69.64 7 0 7
59 Cimetropium 2 358.45 -2.23 -2.23 8 59.06 5 1 6
60 Cyclic-HPMPC 2 261.17 No No 3 124.26 0 0 0
61 Ergotamine 2 581.66 3.17 3.58 6 118.21 10 3 13
62 Fenoterol 2 303.35 0.63 1.09 10 92.95 5 5 10
63 Naloxone 2 327.37 1.34 1.45 4 70.00 5 2 7
64 Neostigmine 2 223.29 -3.03 -3.03 4 29.54 4 0 4
65 Octreotide 2 1019.24 -2.23 0.77 22 382.82 20 15 35
66 Olsalazine 2 302.24 -0.21 3.94 8 139.78 8 4 12
67 Paromomycin 2 615.63 -8.49 -3.27 17 347.32 19 18 37
68 Raloxifene 2 473.58 5.49 6.80 9 98.24 5 2 7
69 TRH 2 362.38 -3.17 -3.01 8 150.28 10 5 15
70 Zanamivir 2 332.31 -6.63 -4.13 12 198.22 11 9 20
71 Coumarin 3 146.14 1.39 1.39 0 26.30 2 0 2
72 Cromoglycate 3 468.37 -2.45 2.30 11 165.89 11 3 14
73 Estradiol_17-valerate 3 356.50 6.62 6.62 6 46.53 3 1 4
74 Fluphenazine 3 437.52 4.71 4.84 7 55.25 4 1 5
75 Ipratropium 3 332.46 -2.21 -2.21 7 46.53 4 1 5
76 Moxalactam 3 520.47 -3.88 0.87 13 234.43 15 4 19
77 Nedocromil 3 371.34 -1.99 2.76 7 121.21 8 2 10
78 Amphotericin_B 3 940.08 -1.51 1.07 15 339.84 19 14 33
79 Neomycin 3 628.67 -10.90 -4.41 17 353.11 19 19 38
80 Norepinephrine 3 169.18 -2.44 -0.88 5 86.71 4 5 9
81 Prifinium_bromide 3 306.46 1.68 1.68 4 0 1 0 1
82 Simvastatin 3 418.57 4.42 4.42 8 72.83 5 1 6
83 Saquinavir 4 670.84 4.02 4.44 17 166.75 11 6 17
84 Testosterone 4 288.42 3.48 3.48 1 37.30 2 1 3
85 Acetylcysteine 5 163.19 -3.85 -0.15 6 105.20 4 2 6
86 Clofibrate 5 242.70 3.32 3.32 5 35.53 3 0 3
87 Desogestrel 5 310.47 6.59 6.59 3 20.23 1 1 2
88 Doxorubicin 5 543.52 1.37 3.07 10 206.07 12 7 19
89 Estradiol 5 272.38 4.13 4.13 2 40.46 2 2 4
90 Etidronate 5 206.03 -8.86 -3.53 7 154.91 7 5 12
91 Ganciclovir 5 254.24 -1.29 -1.29 7 122.10 8 5 13
92 Amdinocillin 5 325.43 -0.94 1.59 4 98.51 6 1 7
93 Lovastatin 5 404.54 4.07 4.07 8 72.83 5 1 6
94 Melagatran 5 429.51 -1.84 1.08 12 148.61 9 6 15
95 Nisoldipine 5 388.41 4.38 4.38 7 110.45 8 1 9
96 Norfenefrine 5 153.18 -1.92 -0.28 4 66.48 3 4 7
97 Probucol 5 516.84 10.27 10.27 10 91.06 2 2 4
98 Astemizole 5 458.57 4.02 5.80 8 42.32 5 1 6
99 Tetrabenazine 5 317.42 3.43 3.48 4 38.77 4 0 4
100 Bromocriptine 5 638.64 2.18 2.30 6 84.99 8 2 10
101 Oxybutynin 6 357.49 4.29 5.19 11 49.77 4 1 5
102 Dixyrazine 7 427.60 3.28 3.41 10 64.48 5 1 6
103 Oxalic_acid 7 90.03 -5.94 -1.19 3 74.60 4 2 6
104 Praziquantel 7 312.41 2.44 2.44 2 40.62 4 0 4
105 Proquazone 7 278.35 3.13 3.13 2 32.67 3 0 3
106 Proscillaridin 7 530.65 3.90 3.90 7 125.68 8 4 12
107 Vinpocetine 7 348.44 5.59 5.60 4 34.47 4 0 4
108 Xamoterol 7 339.39 -1.56 -0.49 12 103.29 8 4 12
109 Distigmine 8 416.51 -5.15 -5.15 13 66.84 8 0 8
110 Epanolol 8 369.41 -0.12 0.50 14 114.61 7 4 11
111 Femoxetine 8 311.42 2.40 3.96 5 21.70 3 0 3
112 Alprenolol 8 249.35 1.04 2.88 9 41.49 3 2 5
113 Ibutilide 8 384.58 1.75 4.17 15 78.02 5 2 7
114 Irinotecan 8 588.69 1.54 3.24 7 111.98 10 1 11
115 Uridine 8 244.20 -4.07 -1.55 6 122.82 8 4 12
116 Meptazinol 9 233.35 1.61 3.70 3 23.47 2 1 3
117 Carnitine 10 204.24 -3.55 -4.15 7 63.60 5 1 6
118 Dihydroergosine 10 549.66 1.68 3.15 6 118.21 10 3 13
119 Dirithromycin 10 835.07 1.99 2.84 16 196.33 16 5 21
120 Medroxyprogesterone_acetate 10 386.52 4.11 4.11 3 60.44 4 0 4
121 Apomorphine 10 253.30 0.68 2.15 2 52.49 3 3 6
122 Physostigmine 10 261.32 0.05 0.74 3 44.81 5 1 6
123 Selegiline 10 187.28 2.58 2.95 5 3.24 1 0 1
124 Atovaquone 10 366.84 3.82 6.17 3 54.37 3 1 4
125 Tetrahydrocannabinol 10 314.46 7.68 7.68 5 29.46 2 1 3
126 Trandolapril 10 430.54 0.45 3.97 12 95.94 7 2 9
127 Trospium_chloride 10 408.55 0.92 0.92 7 46.53 4 1 5
128 Azosemide 10 370.84 1.20 3.19 5 163.27 8 4 12
129 Zotepine 10 331.86 5.24 6.57 4 37.77 2 0 2
130 Acamprosate 11 181.21 -6.13 -2.63 6 91.85 5 2 7
131 Nimodipine 11 376.36 -0.41 1.52 8 130.68 9 2 11
132 Tegaserod_maleate 11 301.39 2.39 2.91 9 85.29 6 4 10
133 Budesonide 12 430.53 3.14 3.14 6 93.06 6 2 8
134 Adefovir 12 273.19 -7.89 -3.98 7 146.19 9 4 13
135 Dilevalol 12 327.42 1.17 2.87 10 69.56 4 3 7
136 GI-147211 12 502.56 0.40 0.85 3 84.44 9 0 9
137 Melatonin 12 232.28 -0.16 -0.16 5 50.69 4 1 5
138 Mercaptopurine 12 152.18 0.31 0.31 0 85.16 4 2 6
139 Propafenone 12 341.44 1.97 3.93 12 58.56 4 2 6
140 Chlorothiazide 13 295.72 -1.49 -0.22 1 135.45 7 3 10
141 Eprosartan 13 424.51 1.37 4.96 12 120.66 6 2 8
142 Foscarnet 13 126.01 -7.54 -2.53 4 104.64 5 3 8
143 Methysergide 13 353.46 1.78 2.07 6 57.50 5 2 7
144 Bifemelane 13 269.38 1.36 4.19 8 21.26 2 1 3
145 Lisuride 14 338.45 2.44 3.28 5 51.37 5 2 7
146 Nilvadipine 14 385.37 1.72 1.72 7 134.24 9 1 10
147 Nitrendipine 14 360.36 3.50 3.50 6 110.45 8 1 9
148 Pirenzepine 14 351.40 -0.45 -0.08 3 68.78 7 1 8
149 Pyridostigmine 14 181.21 -4.31 -4.31 3 33.42 4 0 4
150 Atorvastatin 14 558.64 1.03 4.13 16 111.79 7 4 11
151 Sumatriptan 14 295.40 -1.21 0.67 6 73.58 5 2 7
152 Terbutaline 14 225.28 -1.40 0.48 7 72.72 4 4 8
153 Domperidone 15 440.93 1.94 3.47 6 79.95 8 3 11
154 Felodipine 15 384.25 4.83 4.83 6 64.63 5 1 6
155 Alprostadil 15 354.48 -0.35 2.24 16 94.83 5 3 8
156 Medroxyprogesterone 15 344.49 3.38 3.38 2 54.37 3 1 4
157 Methylphenidate 15 233.31 -0.28 2.54 4 38.33 3 1 4
158 Prochlorperazine 15 373.94 3.88 4.61 4 35.02 3 0 3
159 Rapamycin 15 914.17 3.58 3.58 9 195.43 14 3 17
160 Iloprost 16 360.49 0.34 2.94 12 77.76 4 3 7
161 Mannitol 16 182.17 -4.67 -4.67 11 121.38 6 6 12
162 Nalbuphine 16 357.44 1.38 1.79 5 73.16 5 3 8
163 Nitroglycerine 16 227.09 2.32 2.32 5 165.15 12 0 12
164 Glycopyrrolate 17 318.43 0.38 0.38 6 46.53 4 1 5
165 Indoramin 18 347.45 1.16 2.85 6 48.13 4 2 6
166 Lacidipine 18 455.54 5.48 5.48 11 90.93 7 1 8
167 Pentazocine 18 285.42 2.99 4.54 3 23.47 2 1 3
168 Pravastatin 18 424.53 -1.65 1.44 15 124.29 7 4 11
169 Gallopamil 19 484.63 2.04 3.60 15 73.18 7 0 7
170 Isradipine 19 371.39 3.59 3.59 6 103.55 8 1 9
171 Acyclovir 20 225.20 -1.76 -1.76 5 114.76 8 4 12
172 Cinacalcet 20 357.41 3.96 5.74 6 12.03 1 1 2
173 Cytarabine 20 243.22 -1.94 -1.94 5 128.61 8 5 13
174 Dihydrocodeine 20 301.38 0.26 1.39 2 41.93 4 1 5
175 Flunisolide 20 434.50 2.16 2.16 4 93.06 6 2 8
176 Guanethidine 20 198.31 -2.52 1.05 4 65.14 4 4 8
177 Hesperidin 20 610.56 1.33 1.78 15 234.29 15 8 23
178 Hypericin 20 504.44 7.64 8.39 6 155.52 8 6 14
179 Indinavir 20 613.79 2.87 2.88 16 118.03 9 4 13
180 Ketamine 20 237.73 1.46 1.99 2 29.10 2 1 3
181 Lorcainide 20 370.92 3.13 4.90 6 23.55 3 0 3
182 Methapyrilene 20 261.39 0.52 2.51 6 47.61 3 0 3
183 Metopimazine 20 445.60 1.68 2.87 6 117.39 6 2 8
184 Naringin 20 580.53 2.30 2.73 14 225.06 14 8 22
185 Nefazodone 20 470.01 3.43 3.50 10 51.62 7 0 7
186 Phenoperidine 20 367.48 2.23 3.10 9 49.77 4 1 5
187 Rifabutin 20 847.00 0.35 2.87 8 205.55 15 5 20
188 Rosuvastatin 20 481.54 -2.71 0.42 13 149.30 9 3 12
189 Terguride 20 340.46 1.44 3.31 5 51.37 5 2 7
190 Auranofin 20 364.37 1.16 1.95 10 153.23 9 0 9
191 Vincamine 20 356.46 1.33 2.40 4 53.01 5 1 6
192 Flumazenil 21 303.29 0.87 0.87 3 64.43 6 0 6
193 Medifoxamine 21 257.33 3.40 3.69 6 21.70 3 0 3
194 Streptozocin 21 265.22 -1.34 -1.33 9 151.92 10 5 15
195 Tacrolimus 21 804.02 3.96 3.96 10 178.36 13 3 16
196 Tizanidine 21 253.71 0.62 0.65 2 90.44 5 2 7
197 Verapamil 21 444.73 12.77 12.77 15 0 0 0 0
198 ximelagatran 21 473.57 0.02 2.08 15 143.85 10 5 15
199 Cefdinir 22 395.41 -4.33 -0.62 8 211.75 10 5 15
200 Isosorbide_dinitrate 22 236.14 0.90 0.90 2 128.56 10 0 10
201 Mebendazole 22 295.29 2.82 2.83 5 84.08 6 2 8
202 Mianserin 22 264.36 3.29 3.67 0 6.48 2 0 2
203 Naltrexone 22 341.40 1.35 1.80 4 70.00 5 2 7
204 Tiapamil 22 555.70 0.65 2.14 12 125.20 9 0 9
205 Hydralazine 23 160.18 0.99 1.00 1 63.83 4 3 7
206 Metergoline 23 403.52 2.70 4.72 6 46.50 5 1 6
207 Nicardipine 23 493.55 3.98 4.17 10 113.69 9 1 10
208 Triamcinolone_acetonide 23 420.47 2.02 2.02 4 93.06 6 2 8
209 Valsartan 23 435.52 0.01 4.74 12 112.07 8 2 10
210 Bretylium 23 243.16 -1.17 -1.17 3 0.00 1 0 1
211 Fluvastatin 24 411.47 0.51 3.62 11 85.52 5 3 8
212 Morphine 24 285.34 -0.40 0.43 2 52.93 4 2 6
213 Carvedilol 25 406.47 4.61 4.88 11 75.74 6 3 9
214 Chlorpromazine 25 318.86 2.87 4.82 4 31.78 2 0 2
215 Clomethiazole 25 161.65 1.56 1.56 2 41.13 1 0 1
216 Labetalol 25 328.41 0.56 2.31 10 95.58 5 5 10
217 Lincomycin 25 406.54 -0.20 0.91 12 147.79 8 5 13
218 Methyldopa 25 211.21 -2.39 0.12 6 103.78 5 5 10
219 Miconazole 25 416.13 5.86 5.93 6 27.05 3 0 3
220 Phenacetin 25 179.22 1.63 1.63 4 38.33 3 1 4
221 Progesterone 25 314.46 4.04 4.04 1 34.14 2 0 2
222 Promethazine 25 284.42 3.30 4.78 3 31.78 2 0 2
223 Sodium_oxybate 25 104.10 -3.41 -0.70 5 57.53 3 2 5
224 Spironolactone 25 416.57 3.12 3.12 2 85.74 4 0 4
225 Sulfasalazine 25 398.39 0.03 3.18 8 149.69 9 3 12
226 Tenofovir 25 287.21 -7.56 -3.64 7 146.19 9 4 13
227 Cilazaprilat 26 389.45 -3.95 -0.15 9 110.18 8 3 11
228 Glucosamine 26 179.17 -3.20 -2.09 5 116.17 6 6 12
229 Lisinopril 26 405.49 -1.80 1.19 15 132.96 8 5 13
230 Metaproterenol 26 211.26 -1.75 0.13 7 72.72 4 4 8
231 Metolazone 26 365.83 3.25 3.25 2 100.88 6 3 9
232 Penicillin_G 26 334.39 -2.06 1.67 6 114.84 6 2 8
233 Pipotiazine 26 475.67 1.66 3.61 9 97.77 6 1 7
234 Encainide 27 352.47 2.06 4.35 7 41.57 4 1 5
235 Frovatriptan 27 243.30 -2.02 0.85 2 70.91 4 4 8
236 Idarubicin 27 497.49 1.47 2.95 7 176.61 10 6 16
237 Nomifensin 27 238.33 1.46 2.15 1 29.26 2 2 4
238 Scopolamine 27 303.35 0.05 0.76 6 62.30 5 1 6
239 Sulpiride 27 341.43 -1.89 0.65 7 110.11 7 3 10
240 Tacrine 27 198.26 1.05 2.63 0 38.91 2 2 4
241 Venlafaxine 27 277.40 1.19 2.91 6 32.70 3 1 4
242 Buprenorphine 28 467.64 2.46 3.43 7 62.16 5 2 7
243 Fluorouracil 28 130.08 -0.89 -0.78 0 58.20 4 2 6
244 Papaverine 28 339.39 3.71 3.74 6 49.81 5 0 5
245 Doxepin 29 281.39 0.89 3.10 4 12.47 2 0 2
246 alpha-Lipoic_acid 29 206.33 -0.46 2.16 6 87.90 2 1 3
247 Zimeldine 29 317.22 4.00 4.63 4 16.13 2 0 2
248 Bucindolol 30 363.45 1.31 3.19 10 81.07 5 3 8
249 Chlortetracycline 30 478.88 -3.36 -0.33 7 181.62 10 7 17
250 Cyclosporine_A 30 1202.61 3.35 3.35 16 278.80 23 5 28
251 Fexofenadine 30 501.66 2.30 4.80 13 81.00 5 3 8
252 Flurazepam 30 387.88 1.69 4.04 6 35.91 4 0 4
253 Lynestrenol 30 284.44 5.83 5.83 2 20.23 1 1 2
254 Nadolol 30 309.40 -0.55 1.29 9 81.95 5 4 9
255 Nafcillin 30 414.47 -0.21 3.52 7 124.07 7 2 9
256 Nicotine 30 162.23 -0.47 0.72 1 16.13 2 0 2
257 Noscapine 30 413.42 2.79 2.83 4 75.69 8 0 8
258 Pentoxifylline 30 278.31 0.32 0.32 5 75.51 7 0 7
259 Propoxyphene 30 339.47 3.66 5.44 9 29.54 3 0 3
260 Propranolol 30 243.34 1.10 3.16 5 32.26 2 2 4
261 Biperiden 30 311.46 1.71 4.01 6 23.47 2 1 3
262 Topotecan 31 421.45 0.76 1.39 5 103.20 8 2 10
263 Zaleplon 31 305.33 0.87 0.87 5 74.29 6 0 6
264 Rosaramicin 32 581.74 0.34 1.08 8 135.13 10 2 12
265 Isotretinoin 33 300.44 4.14 6.83 6 37.30 2 1 3
266 Lidocaine 33 234.34 1.57 2.36 6 32.34 3 1 4
267 Losartan 33 422.91 1.59 3.56 9 92.51 7 2 9
268 Moxestrol 33 326.43 3.64 3.64 4 49.69 3 2 5
269 Oxacillin 33 401.44 -1.67 2.05 6 138.04 8 2 10
270 Prenalterol 33 225.28 -0.85 1.04 8 61.72 4 3 7
271 Propiomazine 33 340.48 2.33 3.85 5 48.85 3 0 3
272 Yohimbine 33 356.42 1.39 2.29 3 74.79 6 2 8
273 Cefuroxime 34 424.39 -3.28 0.47 10 199.06 12 4 16
274 Fosinopril 34 563.66 2.63 6.09 17 120.02 8 1 9
275 Ketobemidone 34 247.33 0.45 1.58 4 40.54 3 1 4
276 Levodopa 34 197.19 -2.73 -0.22 6 103.78 5 5 10
277 Amsalog 34 464.54 0.46 0.46 7 117.80 8 3 11
278 Tranexamic_acid 34 157.21 -2.19 0.32 3 63.32 3 3 6
279 Vinorelbine 34 778.93 4.55 4.69 11 133.87 12 2 14
280 Chlorpheniramine 35 275.78 0.62 2.51 5 19.37 3 0 3
281 Diacetolol 35 378.46 -0.96 0.81 13 95.94 7 2 9
282 Didanosine 35 236.23 -1.35 -1.33 3 88.74 7 2 9
283 Erythromycin 35 733.93 2.08 2.83 12 193.91 14 5 19
284 Nabumetone 35 228.29 2.82 2.82 4 26.30 2 0 2
285 Norfloxacin 35 319.33 -0.98 1.48 4 72.88 6 2 8
286 Perphenazine 35 403.97 4.21 4.34 7 55.25 4 1 5
287 Phenylephrine 35 167.21 -1.92 -0.03 5 52.49 3 3 6
288 Ritodrine 35 287.35 -0.30 1.61 9 72.72 4 4 8
289 Spiramycin 35 843.05 1.72 3.21 15 195.38 16 4 20
290 Amoxapine 36 313.78 1.78 2.36 1 36.86 4 1 5
291 Nefopam 36 253.34 1.69 3.44 1 12.47 2 0 2
292 Azithromycin 36 748.98 1.40 3.33 12 180.08 14 5 19
293 Clemastine 37 343.89 3.04 5.69 6 12.47 2 0 2
294 Fosfomycin 37 138.06 -6.86 -2.98 3 79.87 4 2 6
295 Acebutolol 37 336.43 0.15 1.95 12 87.66 6 3 9
296 Benazepril 37 424.49 0.31 3.86 11 95.94 7 2 9
297 Chenodiol 38 392.57 2.05 4.66 7 77.76 4 3 7
298 Desipramine 38 266.38 1.43 4.13 4 15.27 2 1 3
299 Medroxalol 38 372.42 0.43 2.18 10 114.04 7 5 12
300 Moricizine 38 427.52 2.56 2.67 8 96.41 7 1 8
301 Pergolide 38 314.49 2.17 4.49 4 44.33 2 1 3
302 Adinazolam 39 351.83 2.20 2.49 3 46.31 5 0 5
303 Sildenafil 39 474.58 2.26 2.28 7 117.51 10 1 11
304 Bromopride 40 344.25 0.49 2.67 8 67.59 5 3 8
305 Celiprolol 40 379.49 0.13 1.92 13 90.90 7 3 10
306 Cisapride 40 465.95 2.52 3.12 10 86.05 7 3 10
307 Cloxacillin 40 435.88 -1.20 2.53 6 138.04 8 2 10
308 Entacapone 40 305.29 0.36 2.38 8 130.38 8 2 10
309 Flupentixol 40 434.52 4.42 4.51 6 52.01 3 1 4
310 KNI-272 40 667.84 5.20 5.20 19 200.56 11 4 15
311 Levoprotiline 40 293.40 1.25 3.45 5 32.26 2 2 4
312 Loperamide 40 477.04 3.53 4.26 9 43.78 4 1 5
313 Mitotane 40 320.04 5.39 5.39 3 0.00 0 0 0
314 Nalmefene 40 339.43 2.09 2.65 4 52.93 4 2 6
315 Pimozide 40 447.52 5.06 6.49 6 35.58 4 1 5
316 Rivastigmine 40 250.34 0.93 2.14 6 32.78 4 0 4
317 Thioridazine 40 370.57 3.91 6.13 4 57.08 2 0 2
318 Trimipramine 40 294.43 3.21 5.15 4 6.48 2 0 2
319 Bendamustine 40 358.26 0.05 2.69 10 58.36 5 1 6
320 Benperidol 40 381.44 2.79 4.09 6 52.65 5 1 6
321 Chlorprothixene 41 315.86 4.41 6.05 3 28.54 1 0 1
322 Teniposide 41 670.68 2.25 2.25 9 189.07 13 3 16
323 Candesartan 42 440.45 0.97 5.02 8 118.81 9 2 11
324 Exemestane 42 296.40 3.11 3.11 0 34.14 2 0 2
325 Famotidine 42 337.45 -1.02 -0.40 7 237.75 9 8 17
326 YM087 42 498.57 4.17 4.40 6 78.09 6 2 8
327 Cladribine 43 297.74 1.42 1.42 4 82.53 6 3 9
328 Telmisartan 43 516.63 4.16 6.66 8 70.72 6 1 7
329 Diltiazem 44 386.65 9.85 9.85 6 20.23 1 1 2
330 Metoprolol 44 267.36 -0.06 1.79 10 50.72 4 2 6
331 Midazolam 44 325.77 3.92 3.93 1 30.18 3 0 3
332 Oxprenolol 44 265.35 0.44 2.29 10 50.72 4 2 6
333 Quinapril 44 438.52 1.08 4.63 12 95.94 7 2 9
334 Imipramine 45 280.41 2.79 4.80 4 6.48 2 0 2
335 Ribavirin 45 244.20 -2.26 -2.26 6 143.72 9 5 14
336 Trimetrexate 45 370.41 -0.19 -0.10 6 130.43 9 5 14
337 Troglitazone 45 441.54 3.90 4.94 6 110.16 6 2 8
338 Zolmitriptan 45 287.36 -0.31 1.64 5 57.36 5 2 7
339 Bufuralol 46 259.39 3.18 5.27 6 32.26 2 2 4
340 Amiodarone 46 645.31 6.94 8.89 11 42.68 4 0 4
341 Cefixime 47 465.46 -6.03 -1.24 11 245.89 12 5 17
342 Hydromorphone 47 285.34 0.01 1.06 1 49.77 4 1 5
343 Omeprazole 47 345.42 2.16 2.17 5 96.31 6 1 7
344 Ramipril 47 416.51 -0.12 3.41 12 95.94 7 2 9
345 Rizatriptan 47 269.34 -1.01 0.96 5 49.74 5 1 6
346 Amisulpride 48 369.48 -0.23 1.60 8 110.11 7 3 10
347 Amitriptyline 48 277.40 3.15 4.92 3 3.24 1 0 1
348 Molsidomine 48 243.24 0.00 0.00 5 80.71 0 0 0
349 Nifedipine 48 346.33 2.27 2.27 5 110.45 8 1 9
350 Tulobuterol 48 227.73 0.85 2.53 5 32.26 2 2 4
351 Aminocamptothecin 49 361.39 1.34 1.35 2 96.52 6 3 9
352 Penclomedine 49 325.40 4.24 4.24 2 31.35 3 0 3
353 Alafosfalin 50 196.14 -6.00 -2.89 6 122.46 6 5 11
354 Codeine 50 299.36 0.27 1.20 2 41.93 4 1 5
355 Colchicine 50 399.44 0.92 0.92 6 83.09 7 1 8
356 Dipyridamole 50 504.63 -3.00 -1.90 16 145.44 12 4 16
357 Eletriptan 50 382.52 0.29 3.08 6 61.55 4 1 5
358 Ergonovine 50 327.42 -0.18 1.17 5 68.36 5 3 8
359 Fenflumizole 50 392.40 6.33 6.33 5 47.14 4 1 5
360 Fructose 50 180.16 -0.33 -0.33 6 110.38 6 5 11
361 Hydroflumethiazide 50 331.29 0.33 0.36 1 135.12 7 4 11
362 Amiloride 50 229.63 2.89 2.89 2 159.29 8 8 16
363 Ketanserin 50 395.43 2.78 3.21 5 69.72 6 1 7
364 Mesna 50 142.20 -4.70 -1.20 4 104.38 3 1 4
365 Methotrexate 50 454.44 -6.34 -1.63 12 210.54 13 7 20
366 Methotrimeprazine 50 328.47 3.04 4.94 5 41.01 3 0 3
367 Metoclopramide 50 299.80 0.04 2.22 8 67.59 5 3 8
368 Mirtazapine 50 265.35 2.10 2.75 0 19.37 3 0 3
369 Nebivolol 50 405.43 2.34 3.67 8 70.95 5 3 8
370 Nelfinavir 50 567.78 6.79 6.98 14 127.20 7 4 11
371 Paroxetine 50 329.37 1.19 3.89 4 39.72 4 1 5
372 Penicillamine 50 149.21 -1.58 0.93 4 102.12 3 3 6
373 Reserpine 50 608.68 2.58 2.61 10 114.35 11 0 11
374 Ropinirole 50 275.39 0.33 2.07 8 53.16 4 3 7
375 Atropine 50 289.37 -0.94 1.53 6 49.77 4 1 5
376 Triazolam 50 343.21 1.44 3.44 1 39.99 4 1 5
377 Bosentan 50 551.61 -0.20 1.15 12 154.03 11 2 13
378 Albuterol 51 253.29 -0.73 1.78 8 89.79 5 4 9
379 Clomipramine 51 314.85 3.54 5.53 4 6.48 2 0 2
380 Enalapril 51 348.39 -2.35 1.54 11 106.94 7 3 10
381 Ethinyl_Estradiol 51 296.40 4.52 4.52 3 40.46 2 2 4
382 Maprotiline 51 277.40 1.65 4.51 4 12.03 1 1 2
383 Bencyclane 51 289.46 3.02 5.00 7 12.47 2 0 2
384 Etoposide 52 588.56 0.30 0.30 8 160.83 13 3 16
385 Meperidine 52 247.33 1.15 2.35 4 29.54 3 0 3
386 Rabeprazole 52 359.44 1.82 1.83 8 96.31 6 1 7
387 Ranitidine 52 301.37 -1.16 0.40 9 132.71 8 3 11
388 Fluvoxamine 53 318.33 1.15 3.11 9 56.84 4 2 6
389 Homocysteine 53 135.18 -2.28 0.22 5 102.12 3 3 6
390 Metformin 53 129.16 -4.31 -2.31 3 88.99 5 5 10
391 Atenolol 53 266.34 -1.74 0.10 9 84.58 5 4 9
392 Azathioprine 53 277.26 -1.16 -0.99 2 143.40 9 1 10
393 Diclofenac 54 296.15 1.08 4.15 5 49.33 3 2 5
394 Enoximone 54 248.30 3.72 3.72 3 83.50 4 2 6
395 Floxacillin 54 453.87 -1.13 2.60 6 138.04 8 2 10
396 Triamterene 54 255.28 -1.04 -1.04 1 128.23 7 7 14
397 Clarithromycin 55 747.95 2.41 3.16 12 182.91 14 4 18
398 Clozapine 55 326.82 3.35 3.48 1 30.87 4 1 5
399 Cyclobenzaprine 55 275.39 3.26 5.00 3 3.24 1 0 1
400 Delapril 55 452.54 1.17 4.76 14 95.94 7 2 9
401 Alfuzosin 55 389.45 -2.33 -1.00 9 111.83 9 3 12
402 Dicloxacillin 55 470.33 -0.71 3.02 6 138.04 8 2 10
403 Eflornithine 55 182.17 -2.25 0.30 6 89.34 4 5 9
404 Alosetron 55 294.35 0.72 0.88 2 53.92 5 1 6
405 Gabapentin 55 157.21 -1.66 0.84 3 63.32 3 3 6
406 Itraconazole 55 705.63 4.29 4.35 11 100.79 12 0 12
407 Nortriptyline 55 263.38 3.17 5.65 3 12.03 1 1 2
408 Talinolol 55 363.49 1.35 3.20 11 82.62 6 4 10
409 Moclobemide 56 268.74 0.71 0.84 5 41.57 4 1 5
410 Clofazimine 57 473.40 6.40 7.50 4 39.99 4 1 5
411 Cocaine 57 303.35 1.51 3.08 5 55.84 5 0 5
412 Telithromycin 57 812.00 3.79 4.52 12 171.85 15 1 16
413 Bevantolol 57 345.43 2.00 3.38 11 59.95 5 2 7
414 Drotaverine 58 397.51 6.12 6.15 9 48.95 5 1 6
415 Griseofulvin 58 352.77 3.53 3.53 3 71.06 6 0 6
416 Amezinium 58 201.22 0.14 0.63 2 48.68 4 1 5
417 Methacycline 58 444.48 1.21 1.70 6 161.39 9 6 15
418 Oxytetracycline 58 460.43 -2.99 -0.13 8 201.85 11 8 19
419 Pentopril 58 333.38 -0.69 2.84 9 83.91 6 1 7
420 Artemether 58 298.37 3.07 3.07 1 46.15 5 0 5
421 Acitretin 59 326.43 3.03 5.73 7 46.53 3 1 4
422 Erlotinib 59 393.44 2.39 2.39 11 74.73 7 1 8
423 Gefitinib 59 446.90 3.85 4.11 8 68.74 7 1 8
424 Cerivastatin 60 459.55 0.60 3.70 14 99.88 6 3 9
425 Cimetidine 60 252.34 -0.25 0.07 8 114.19 6 3 9
426 Diphenhydramine 60 255.35 2.29 3.66 6 12.47 2 0 2
427 Fluoxetine 60 309.33 1.56 4.09 6 21.26 2 1 3
428 Granisetron 60 312.41 -1.42 1.47 3 50.16 5 1 6
429 Haloperidol 60 375.86 2.08 3.01 7 40.54 3 1 4
430 Aminolevulinic_acid 60 131.13 -3.55 -0.93 5 80.39 4 3 7
431 Methylergonovine 60 339.43 1.21 1.68 6 68.36 5 3 8
432 Olanzapine 60 312.43 2.50 3.30 1 59.11 4 1 5
433 Ondansetron 60 279.34 1.91 2.00 2 39.82 4 0 4
434 Oxycodone 60 315.36 1.21 1.67 2 59.00 5 1 6
435 Penicillin_V 60 350.39 -1.85 1.88 7 121.24 7 2 9
436 Pentaerythritol_tetranitrate 60 316.14 4.57 4.57 8 220.20 16 0 16
437 Ramixotidine 60 321.39 -0.36 -0.36 8 96.24 6 1 7
438 Repaglinide 60 452.59 1.80 4.69 12 78.87 6 2 8
439 Tolfenamic_acid 60 261.70 2.71 5.77 4 49.33 3 2 5
440 Azidocillin 60 375.40 -1.42 2.31 7 124.37 9 2 11
441 Ziprasidone 60 412.94 3.07 4.00 4 76.71 5 1 6
442 Calcitriol 61 416.64 6.12 6.12 9 60.69 3 3 6
443 Trimazosin 61 435.47 -1.72 -1.69 9 132.50 11 3 14
444 Bepridil 61 366.54 3.89 6.18 10 15.71 3 0 3
445 Ampicillin 62 349.40 -2.00 1.35 6 138.03 7 4 11
446 Riluzole 62 234.20 2.84 2.84 1 76.38 3 2 5
447 Timolol 62 316.42 -1.43 0.06 8 107.98 7 2 9
448 Tolcapone 62 273.24 1.89 4.15 4 103.35 6 2 8
449 Doxazosin 63 451.48 0.60 0.65 5 112.27 10 2 12
450 Almitrine 63 477.55 2.75 2.84 10 69.21 7 2 9
451 Amiprilose 63 305.37 -1.05 0.88 9 80.62 7 2 9
452 Paracetamol 63 151.16 -0.57 1.08 3 52.82 3 2 5
453 Tiopronin 63 163.19 -3.98 -0.33 6 105.20 4 2 6
454 Chlorthalidone 64 338.77 -0.74 -0.74 3 117.87 6 4 10
455 Doxapram 64 378.51 2.80 3.23 6 32.78 4 0 4
456 Montelukast 64 586.18 5.19 7.80 14 95.72 4 2 6
457 Norethindrone 64 298.42 3.38 3.38 2 37.30 2 1 3
458 Prazosin 64 383.40 -0.93 -0.88 5 106.95 9 2 11
459 Buflomedil 65 307.38 -0.13 2.47 8 48.00 5 0 5
460 Cabergoline 65 451.60 -0.01 2.43 11 71.68 7 2 9
461 Levamisole 65 204.29 -0.06 1.84 1 40.90 2 0 2
462 Mizolastine 65 432.49 2.47 3.42 5 65.76 7 1 8
463 Pimexone 65 323.39 2.01 3.05 3 38.77 4 0 4
464 Risperidone 65 410.48 2.29 2.89 4 61.94 6 0 6
465 Thyroxine 65 776.87 2.91 5.93 7 92.78 5 4 9
466 Zidovudine 65 267.24 -0.53 -0.53 4 91.23 9 2 11
467 Cefatrizine 66 462.50 -3.02 0.11 10 225.13 11 6 17
468 Demeclocycline 66 464.85 -3.90 -0.87 7 181.62 10 7 17
469 Allopurinol 66 136.11 -0.48 -0.48 0 70.14 5 2 7
470 Furosemide 66 330.74 -0.54 2.59 6 131.01 7 4 11
471 Perindopril 66 368.47 -0.15 3.36 11 95.94 7 2 9
472 Tropisetron 66 298.38 1.04 3.53 3 34.47 4 0 4
473 Methamphetamine 67 149.23 -0.79 1.94 3 12.03 1 1 2
474 Bromfenac 67 334.16 0.10 3.17 5 80.39 4 3 7
475 Depamide 68 143.23 1.77 1.77 5 43.09 2 2 4
476 L-Arginine 68 174.20 -4.78 -1.29 6 127.72 6 7 13
477 Piritrexim 68 325.37 1.25 1.65 4 109.17 7 4 11
478 Captopril 69 217.29 -3.13 0.27 6 96.41 4 1 5
479 Amlodipine 69 408.88 2.64 4.16 10 99.88 7 3 10
480 Mifepristone 69 417.58 5.25 5.26 4 40.54 3 1 4
481 Naratriptan 69 335.46 -1.07 1.35 5 73.58 5 2 7
482 Brotizolam 70 393.69 2.34 2.34 1 71.31 4 0 4
483 Bupropion 70 239.74 3.12 3.31 4 29.10 2 1 3
484 Busulfan 70 246.30 -0.52 -0.52 7 103.50 6 0 6
485 Carbamazepine 70 236.27 2.67 2.67 1 46.33 3 2 5
486 Ciprofloxacin 70 331.34 1.15 2.92 4 73.74 6 1 7
487 Digoxin 70 780.94 0.85 0.85 13 203.06 14 6 20
488 Almotriptan 70 335.46 -0.02 1.89 6 64.79 5 1 6
489 Finasteride 70 372.54 3.24 3.24 3 58.20 4 2 6
490 Fludarabine 70 365.21 -5.40 -1.15 8 195.88 12 6 18
491 Irbesartan 70 428.53 2.54 4.51 7 87.13 7 1 8
492 L-5-hydroxytryptophan 70 220.22 -2.64 -0.13 5 99.34 5 5 10
493 Mephobarbital 70 246.26 1.67 1.77 2 66.48 5 1 6
494 Nicainoprol 70 369.46 -0.10 1.75 9 74.69 6 2 8
495 Aspirin 70 180.16 -1.89 1.19 4 63.60 4 1 5
496 Rifampin 70 822.94 -1.43 1.09 10 220.15 16 6 22
497 Ritonavir 70 720.94 5.28 5.28 23 202.26 11 4 15
498 Tramadol 70 263.38 0.49 2.51 5 32.70 3 1 4
499 Viloxazine 70 237.29 0.29 1.10 5 39.72 4 1 5
500 Zolpidem 70 363.50 4.98 5.05 8 37.61 4 0 4
501 Baclofen 70 213.66 -0.73 1.77 5 63.32 3 3 6
502 Gemifloxacin_mesylate 71 389.38 -1.44 1.04 6 121.35 9 3 12
503 Hydrochlorothiazide 71 297.74 -0.09 -0.07 1 135.12 7 4 11
504 Melphalan 71 305.20 -0.71 1.80 9 66.56 4 3 7
505 Phencyclidine 72 243.39 4.01 4.88 2 3.24 1 0 1
506 Sobrerol 72 170.25 1.16 1.16 3 40.46 2 2 4
507 Tertatolol 72 295.44 1.61 3.42 7 66.79 3 2 5
508 Betamethasone 72 392.46 1.87 1.87 5 94.83 5 3 8
509 Nateglinide 73 317.42 0.61 4.21 8 66.40 4 2 6
510 Xipamide 73 354.81 0.45 2.50 5 117.87 6 4 10
511 Cyclophosphamide 74 261.09 0.23 0.23 5 51.38 4 1 5
512 Hydroxychloroquine 74 321.85 1.02 2.39 9 48.39 4 2 6
513 Lumiracoxib 74 293.72 0.82 3.90 5 49.33 3 2 5
514 Clavulanic_acid 75 199.16 -5.33 -1.98 4 87.07 6 2 8
515 Clindamycin 75 424.98 0.75 1.83 11 127.56 7 4 11
516 Droperidol 75 379.43 3.11 3.51 6 52.65 5 1 6
517 Endralazine 75 269.30 -0.22 -0.21 2 83.08 6 3 9
518 Folic_acid 75 441.40 -7.56 -2.46 12 208.99 13 7 20
519 Lormetazepam 75 335.18 2.36 2.36 2 52.90 4 1 5
520 Mesalamine 75 153.14 -2.67 0.46 3 83.55 4 4 8
521 Mibefradil 75 479.63 5.04 6.99 11 58.22 5 1 6
522 Procyclidine 75 287.44 1.15 3.93 6 23.47 2 1 3
523 Quinidine 75 324.42 1.60 3.44 5 45.59 4 1 5
524 Rolipram 75 275.34 1.43 1.43 4 47.56 4 1 5
525 Trazodone 75 371.86 1.61 1.66 5 42.39 6 0 6
526 3-Ketodesogestrel 76 324.46 4.23 4.23 3 37.30 2 1 3
527 Ethambutol 77 204.31 -2.33 -0.05 11 64.52 4 4 8
528 Famciclovir 77 321.33 -1.40 -1.40 9 122.22 9 2 11
529 Ambroxol 77 378.10 1.53 2.92 4 58.28 3 4 7
530 Glyburide 77 494.00 1.79 3.75 11 121.98 8 3 11
531 Pantoprazole 77 383.37 1.58 1.69 7 105.54 7 1 8
532 Penciclovir 77 253.26 -2.03 -2.03 7 125.76 8 5 13
533 Cilazapril 78 417.50 -2.73 0.73 10 99.18 8 2 10
534 Dexamethasone 78 392.46 1.87 1.87 5 94.83 5 3 8
535 Fenbufen 78 254.28 0.34 3.13 6 54.37 3 1 4
536 Nitrazepam 78 281.27 2.18 2.18 1 87.28 6 1 7
537 Phenylbutyrate 78 164.20 -0.19 2.42 5 37.30 2 1 3
538 Tetracycline 78 444.43 -3.25 -0.43 7 181.62 10 7 17
539 Urapidil 78 387.48 0.18 2.28 7 68.36 8 1 9
540 Hydroxyurea 79 76.05 -1.80 -1.80 2 75.35 4 4 8
541 Atomoxetine 79 255.35 0.71 3.28 6 21.26 2 1 3
542 Citalopram 80 324.39 0.39 2.51 6 36.26 3 0 3
543 Cycloserine 80 102.09 -1.85 -1.84 0 64.35 4 3 7
544 dOTC 80 229.26 -1.35 -1.35 3 113.45 6 3 9
545 Ethanol 80 46.07 -0.19 -0.19 1 20.23 1 1 2
546 Etofylline 80 224.22 -0.55 -0.55 3 78.67 7 1 8
547 Fenoprofen 80 242.27 0.75 3.84 5 46.53 3 1 4
548 Glibenclamide 80 494.00 1.78 3.75 11 121.98 8 3 11
549 Isoniazid 80 137.14 -0.89 -0.89 2 68.01 4 3 7
550 Mefloquine 80 378.31 0.47 2.87 3 45.15 3 2 5
551 Methadone 80 309.45 2.56 4.20 7 20.31 2 0 2
552 Misoprostol 80 382.53 2.91 2.91 16 83.83 5 2 7
553 Aprepitant 80 534.43 4.23 4.23 6 75.19 7 2 9
554 Quinine 80 324.42 1.60 3.44 5 45.59 4 1 5
555 Torsemide 80 348.42 1.53 3.52 7 108.57 7 3 10
556 Zopiclone 80 388.81 0.65 0.74 4 91.76 9 0 9
557 Guanfacine 81 246.09 1.60 1.61 3 81.47 4 4 8
558 Piroximone 81 217.22 2.14 2.14 3 71.09 5 2 7
559 Prednisolone 81 360.44 1.49 1.49 5 94.83 5 3 8
560 Chlorambucil 82 304.21 0.55 3.10 10 40.54 3 1 4
561 Chloramphenicol 82 323.13 1.02 1.02 8 115.38 7 3 10
562 Mepindolol 82 262.35 0.52 2.43 7 57.28 4 3 7
563 Stavudine 82 223.23 -0.81 -0.81 3 88.15 6 3 9
564 Terodiline 82 281.44 1.38 4.17 6 12.03 1 1 2
565 Disopyramide 83 339.47 0.41 2.86 8 59.22 4 2 6
566 Fenfluramine 83 231.26 0.45 3.05 4 12.03 1 1 2
567 Fluocortolone 83 376.46 1.86 1.86 4 74.60 4 2 6
568 Lansoprazole 83 369.36 2.76 2.76 5 87.08 5 1 6
569 Abacavir 83 286.33 0.66 0.72 5 101.88 7 4 11
570 N-acetylprocainamide 83 277.36 -0.95 1.29 9 61.44 5 2 7
571 Pioglitazone 83 370.47 2.64 2.64 8 93.59 5 1 6
572 Pirmenol 83 338.49 1.06 3.45 7 36.36 3 1 4
573 Procainamide 83 235.33 -1.18 1.10 7 58.36 4 3 7
574 Valdecoxib 83 314.36 1.70 1.71 3 94.57 5 2 7
575 Alizapride 84 315.37 0.40 1.67 7 83.14 7 2 9
576 Flucytosine 84 129.09 -1.78 -1.78 0 67.48 4 3 7
577 Milnacipran 84 246.35 -1.52 1.23 6 46.33 3 2 5
578 Saccharin 84 183.18 -1.09 0.91 0 71.62 4 1 5
579 Delavirdine 85 378.47 -2.53 -1.41 5 90.28 7 4 11
580 Flecainide 85 414.34 0.19 2.90 8 59.59 5 2 7
581 Flunitrazepam 85 313.28 1.25 1.25 1 78.49 6 0 6
582 Ibuprofen 85 206.28 0.80 3.72 5 37.30 2 1 3
583 Indobufen 85 295.33 0.42 3.30 5 57.61 4 1 5
584 Ketoprofen 85 254.28 -0.25 2.81 5 54.37 3 1 4
585 Lamivudine 85 231.27 -2.57 -2.57 3 113.45 6 3 9
586 Methylprednisolone 85 374.47 1.99 1.99 5 94.83 5 3 8
587 Oxyfedrine 85 313.39 2.04 2.91 9 58.56 4 2 6
588 Aprindine 85 322.49 3.06 5.77 8 6.48 2 0 2
589 Propylthiouracil 85 170.23 1.30 1.37 2 73.22 3 2 5
590 Protriptyline 85 263.38 2.21 5.06 4 12.03 1 1 2
591 Tolmesoxide 85 214.28 0.95 0.95 3 54.74 3 0 3
592 Acetaminophen 85 151.16 0.34 0.34 3 49.33 3 2 5
593 Betaxolol 85 307.43 0.84 2.69 12 50.72 4 2 6
594 Cibenzoline 86 262.35 1.83 3.81 3 24.39 2 1 3
595 Milrinone 86 211.22 0.20 0.41 2 65.78 4 1 5
596 Terazosin 86 387.43 -1.01 -0.96 5 103.04 9 2 11
597 Chloroquine 87 319.87 1.88 5.08 8 19.37 3 0 3
598 Enoxacin 87 320.32 -0.63 1.21 4 85.77 7 2 9
599 Mexiletine 87 179.26 0.96 2.16 3 35.25 2 2 4
600 Benzydamine 87 309.41 1.86 3.78 7 30.29 4 0 4
601 Carteolol 88 292.37 -0.46 1.35 7 70.59 5 3 8
602 Moxonidine 88 241.68 -0.42 0.84 3 71.43 6 2 8
603 Pindolol 88 248.32 0.07 1.97 7 57.28 4 3 7
604 Sulindac 88 356.41 0.55 3.59 5 73.58 3 1 4
605 Topiramate 88 339.36 2.97 2.97 3 123.92 9 2 11
606 Zalcitabine 88 211.22 -1.30 -1.30 3 88.15 6 3 9
607 Chloroxine 89 214.05 1.80 3.75 1 33.12 2 1 3
608 Glyceryl-1-nitrate 89 137.09 -0.65 -0.65 5 95.51 6 2 8
609 Sitafloxacin 89 409.81 -0.73 1.53 4 86.87 6 3 9
610 Tolbutamide 89 270.35 0.39 2.34 7 83.65 5 2 7
611 Carbazepine-10,11-epoxide 90 252.27 1.26 1.26 1 58.86 4 2 6
612 Bumetanide 90 364.42 -0.19 2.78 9 127.10 7 4 11
613 Acipimox 90 154.12 -4.52 -1.38 2 75.65 5 1 6
614 Cefaclor 90 367.81 -3.05 0.10 6 138.03 7 4 11
615 Cefazolin 90 454.51 -2.58 1.13 9 234.93 12 2 14
616 Cefprozil 90 389.43 -3.23 0.06 8 158.26 8 5 13
617 Cephalexin 90 347.39 -2.67 0.65 6 138.03 7 4 11
618 Cetirizine 90 388.89 -1.09 2.17 9 53.01 5 1 6
619 Clinafloxacin 90 365.79 -0.61 1.63 4 86.87 6 3 9
620 Clonazepam 90 315.71 2.34 2.34 1 87.28 6 1 7
621 Diazoxide 90 230.67 1.08 1.08 0 66.91 4 1 5
622 Diflunisal 90 250.20 1.29 4.44 4 57.53 3 2 5
623 Digitoxin 90 764.94 2.44 2.44 12 182.83 13 5 18
624 Diprophylline 90 254.24 -1.10 -1.10 5 98.90 8 2 10
625 Dolasetron 90 324.37 2.79 2.82 3 62.40 5 1 6
626 Etodolac 90 319.35 -2.76 1.89 7 95.86 6 3 9
627 Felbamate 90 238.24 1.20 1.20 7 104.64 6 4 10
628 Alprazolam 90 308.76 2.50 2.50 1 43.07 4 0 4
629 Fenspiride 90 260.33 0.59 2.57 3 41.57 4 1 5
630 Flupirtine 90 304.32 1.98 1.98 7 89.27 6 4 10
631 Amantadine 90 151.25 -0.69 2.22 0 26.02 1 2 3
632 Indapamide 90 365.83 1.41 1.41 4 109.67 6 4 10
633 Amoxicillin 90 365.40 -2.73 0.61 7 158.26 8 5 13
634 Nicorandil 90 211.17 0.72 0.72 5 97.04 7 1 8
635 Orphenadrine 90 269.38 2.78 4.12 6 12.47 2 0 2
636 Pefloxacin 90 333.36 -0.18 2.17 4 64.09 6 1 7
637 Phenylbutazone 90 308.37 3.90 3.90 5 40.62 4 0 4
638 Phenytoin 90 252.27 2.25 2.27 2 58.20 4 2 6
639 Quetiapine 90 383.51 1.55 1.57 7 73.60 5 1 6
640 Sulfadiazine 90 250.28 -0.66 -0.12 3 106.35 6 3 9
641 Toliprolol 90 223.31 0.46 2.33 7 41.49 3 2 5
642 Bendroflumethiazide 90 421.41 2.04 2.07 3 135.12 7 4 11
643 Bisoprolol 90 325.44 0.31 2.14 13 59.95 5 2 7
644 Clorazepate 91 332.74 0.03 3.70 5 102.15 6 4 10
645 2-phenyl-2-ethylmalondiamide 91 206.24 0.13 0.13 4 86.18 4 4 8
646 Fusidic_acid 91 516.71 3.21 6.41 9 104.06 6 3 9
647 Moxifloxacin 91 415.46 0.06 2.61 6 90.90 7 3 10
648 Nitrofurantoin 91 238.16 -0.58 -0.40 2 120.73 9 1 10
649 Temazepam 91 300.74 2.20 2.20 2 52.90 4 1 5
650 Trovafloxacin 91 416.35 -0.97 1.08 4 99.76 7 3 10
651 Flurbiprofen 92 244.26 0.61 3.63 4 37.30 2 1 3
652 Nevirapine 92 265.31 2.31 2.31 1 45.23 4 1 5
653 Piretanide 92 362.40 -1.09 1.84 6 118.31 7 3 10
654 Primidone 92 218.25 0.40 0.40 2 58.20 4 2 6
655 Roxithromycin 92 837.05 2.98 3.73 18 216.89 17 5 22
656 Sparfloxacin 92 392.40 1.13 2.90 4 98.90 7 4 11
657 Suprofen 92 260.31 -0.67 2.42 5 82.61 3 1 4
658 Tiagabine 92 375.55 3.17 5.68 7 97.02 3 1 4
659 Dapsone 93 249.29 0.67 1.38 3 88.77 4 3 7
660 Donepezil 93 379.49 3.30 4.71 6 38.77 4 0 4
661 Doxycycline 93 444.43 -3.48 -0.54 7 181.62 10 7 17
662 Gestodene 93 310.43 3.66 3.66 3 37.30 2 1 3
663 Lorazepam 93 321.16 2.47 2.47 2 61.69 4 2 6
664 Methimazole 93 114.17 -0.34 -0.34 0 47.36 2 1 3
665 Amrinone 93 187.20 -0.55 -0.54 1 68.01 4 3 7
666 Penbutolol 93 291.43 2.33 4.17 8 41.49 3 2 5
667 Pipemidic_acid 93 303.32 -1.66 0.99 4 98.66 8 2 10
668 Pramipexole 93 211.33 -0.53 1.42 3 79.18 3 3 6
669 Rofecoxib 93 314.36 1.34 1.34 3 68.82 4 0 4
670 Sotalol 93 302.39 -0.90 0.94 9 96.04 6 3 9
671 Warfarin 93 308.33 0.61 3.42 5 63.60 4 1 5
672 Cephradine 94 349.40 -2.02 0.98 6 138.03 7 4 11
673 Dienogest 94 311.42 1.96 1.96 3 61.09 3 1 4
674 Levonorgestrel 94 312.45 3.92 3.92 3 37.30 2 1 3
675 Loracarbef 94 335.79 -3.06 -0.55 6 95.66 6 4 10
676 Norgestrel 94 310.43 3.70 3.70 3 37.30 2 1 3
677 Reboxetine 94 313.39 1.80 2.82 6 39.72 4 1 5
678 Cefadroxil 95 363.39 -3.37 -0.09 7 158.26 8 5 13
679 Chorpropamide 95 276.74 0.32 2.30 6 83.65 5 2 7
680 Diazepam 95 284.74 2.96 2.96 1 32.67 3 0 3
681 Fluconazole 95 306.27 0.50 0.50 6 81.65 7 1 8
682 Gitoxin 95 780.94 1.23 1.23 13 203.06 14 6 20
683 Glipizide 95 445.54 0.14 2.01 10 138.53 9 3 12
684 Hexobarbital 95 236.27 -2.42 1.04 2 69.97 5 1 6
685 Ketorolac 95 255.27 -0.95 2.08 4 59.30 4 1 5
686 Amobarbital 95 226.27 -1.72 1.79 6 82.25 5 2 7
687 Metronidazole 95 171.15 -0.01 -0.01 3 83.87 6 1 7
688 Minoxidil 95 194.23 -2.19 -2.19 1 67.61 5 2 7
689 Naproxen 95 230.26 0.47 3.00 4 46.53 3 1 4
690 Nizatidine 95 331.46 0.97 1.18 9 139.55 7 2 9
691 Oxcarbazepine 95 251.28 -0.58 0.03 1 70.18 4 3 7
692 Phenylpropanolamine 95 151.21 -1.07 0.81 3 46.25 2 3 5
693 Sulfamethazine 95 278.33 0.59 0.80 3 106.35 6 3 9
694 Temafloxacin 95 417.38 1.19 3.37 4 72.88 6 2 8
695 Tocainide 95 192.26 0.32 0.76 3 55.12 3 3 6
696 Tolmetin 95 257.28 -1.52 1.55 5 59.30 4 1 5
697 Gatifloxacin 96 375.39 -0.78 1.51 5 82.11 7 2 9
698 Ifosfamide 96 261.09 0.23 0.23 5 51.38 4 1 5
699 Primaquine 96 259.35 -1.22 1.50 6 60.17 4 3 7
700 Sulfisoxazole 96 283.37 0.98 1.07 3 121.70 5 3 8
701 Temozolomide 96 194.15 -3.33 -2.39 1 116.80 8 3 11
702 Theophylline 96 180.16 -0.20 -0.17 0 69.30 6 1 7
703 Trapidil 96 205.26 1.45 1.45 3 46.32 5 0 5
704 Voriconazole 96 349.31 0.93 0.93 6 76.72 6 1 7
705 Clonidine 97 230.09 1.07 1.54 1 36.42 3 2 5
706 Cotinine 97 176.22 -0.23 -0.23 1 33.20 3 0 3
707 Galantamine 97 287.35 1.12 1.75 2 41.93 4 1 5
708 Gliclazide 97 323.41 -0.40 1.56 5 86.89 6 2 8
709 Lomefloxacin 97 351.35 -0.09 2.37 4 72.88 6 2 8
710 Meloxicam 97 351.40 -0.17 2.71 4 136.22 7 2 9
711 Minocycline 97 457.48 -3.37 -0.55 7 164.63 10 6 16
712 Oxazepam 97 286.71 2.31 2.31 2 61.69 4 2 6
713 Phenindione 97 222.24 2.58 2.75 1 34.14 2 0 2
714 Proxyphylline 97 238.24 -0.20 -0.20 3 78.67 7 1 8
715 Treosulfan 97 278.30 -1.64 -1.64 9 143.96 8 2 10
716 Valproic_acid 97 144.21 0.16 2.72 6 37.30 2 1 3
717 Caffeine 98 194.19 -0.13 -0.13 0 58.44 6 0 6
718 Dofetilide 98 441.56 0.65 1.56 11 121.57 8 2 10
719 Gemfibrozil 98 250.33 1.77 4.39 7 46.53 3 1 4
720 Imatinib 98 493.60 1.76 2.48 8 86.28 8 2 10
721 Lamotrigine 98 256.09 -0.19 -0.19 1 90.71 5 4 9
722 Oxaprozin 98 293.32 1.12 4.19 6 63.33 4 1 5
723 Tinidazole 98 247.27 -0.27 -0.27 4 106.16 7 0 7
724 Trimethoprim 98 290.32 0.58 0.79 5 105.51 7 4 11
725 Chlordiazepoxide 99 299.75 2.36 2.36 2 53.14 4 1 5
726 Ciprofibrate 99 289.15 -0.72 2.87 5 46.53 3 1 4
727 Desmethyldiazepam 99 270.71 3.15 3.15 1 41.46 3 1 4
728 Dextromoramide 99 392.53 3.61 3.79 7 32.78 4 0 4
729 Dextrose 99 180.16 -1.88 -1.88 6 110.38 6 5 11
730 Fluorescein 99 332.31 2.95 2.98 2 75.99 5 2 7
731 Indomethacin 99 309.32 -1.11 1.88 6 68.53 5 1 6
732 Isosorbide-2-mononitrate 99 191.14 -0.51 -0.51 2 93.74 7 1 8
733 Pentobarbital 99 226.27 1.93 2.05 4 75.27 5 2 7
734 Antipyrine 99 188.23 0.27 0.27 1 23.55 3 0 3
735 Pheniramine 99 240.34 0.67 2.79 5 16.13 2 0 2
736 Phenobarbital 99 232.24 1.47 1.67 2 75.27 5 2 7
737 Piroxicam 99 331.35 -1.16 1.71 4 107.98 7 2 9
738 Practolol 99 236.31 -1.54 0.45 7 61.36 4 3 7
739 Rosiglitazone 99 357.43 1.47 2.56 7 96.83 6 1 7
740 Salicylic_acid 99 138.12 -1.09 2.06 3 57.53 3 2 5
741 Thiocyanate 99 185.24 4.47 4.47 1 44.45 1 0 1
742 Tianeptine 99 422.93 0.62 3.23 8 86.30 6 1 7
743 Azelastine 99 383.91 1.65 3.69 3 35.58 4 1 5
744 Acetazolamide 99 222.25 -0.48 -0.26 3 151.66 7 3 10
745 Bezafibrate 99 327.37 -0.90 2.69 9 75.63 5 2 7
746 Biotin 99 244.31 -2.52 0.11 6 103.73 5 3 8
747 Cicaprost 100 374.47 -1.61 1.94 13 86.99 5 3 8
748 Cyclopenthiazide 100 380.87 -1.63 0.24 3 138.36 8 4 12
749 Genaconazole 100 331.34 0.97 0.97 6 93.46 6 1 7
750 Glimepiride 100 490.62 0.97 2.94 11 133.06 9 3 12
751 Letrozole 100 285.30 1.92 1.92 5 78.29 5 0 5
752 Levetiracetam 100 170.21 -0.67 -0.67 3 63.40 4 2 6
753 Linezolid 100 337.35 0.42 0.43 5 71.11 7 1 8
754 Amosulalol 100 380.46 0.31 1.01 10 119.26 7 4 11
755 Ofloxacin 100 361.37 -0.65 1.61 3 73.32 7 1 8
756 Anastrozole 100 293.37 0.97 0.97 6 78.29 5 0 5
757 Probenecid 100 285.36 0.26 3.30 8 83.06 5 1 6
758 Pseudoephedrine 100 165.23 -0.96 1.05 4 32.26 2 2 4
759 Pyrimethamine 100 248.71 2.66 2.75 2 77.82 4 4 8
760 Sulfamethoxazole 100 253.28 -0.20 0.89 3 106.60 6 3 9
761 Sulfinpyrazone 100 404.48 -1.40 2.30 6 76.90 5 0 5
762 Tamoxifen 100 371.51 6.58 7.88 8 12.47 2 0 2
763 Tamsulosin 100 408.51 0.79 2.24 11 108.26 7 3 10
764 Tenoxicam 100 321.37 2.51 2.51 3 115.99 6 1 7
765 Toremifene 100 405.96 6.51 7.81 9 12.47 2 0 2
766 Trihexyphenidyl 100 301.47 2.17 4.49 6 23.47 2 1 3
767 Vigabatrin 100 129.16 -2.60 -0.10 5 63.32 3 3 6
768 Zonisamide 100 212.23 -0.10 -0.10 2 94.57 5 2 7