Table 1S: Experimentally derived values for milk to plasma (M/P) ratio of the data set under study

Number / Compound / M/P / Reference
1 / Abacavir / 0,85 / 1
2 / Acebutalol / 7,1 / 2
3 / Acetazolamide / 0,3 / 3
4 / Acitretin / 0,18 / 4
5 / Acyclovir / 2,35 / 3
6 / Albendazole / 0,9 / 5
7 / Albendazole sufloxide / 0,6 / 5
8 / Allopurinol / 1,15 / 6
9 / Alprazolam / 0,36 / 3
10 / p-Aminosalicylic acid / 0,016 / 7
11 / Amiodarone / 5,7 / 8
12 / Amisulpride / 19,5 / 9
13 / Amitriptyline / 0,83 / 3
14 / Amlodipine / 0,85 / 10
15 / Amoxapine 8 Hydroxy / 0,66 / 11
16 / Amoxycillin / 0,028 / 3
17 / Amphetamine / 4,98 / 3
18 / Ampicillin / 0,295 / 3
19 / Antipyrine / 1 / 12
20 / Aripiprazole / 0,04 / 13
21 / Aspirin / 1,63 / 3
22 / Astemizole / 4,4 / 3
23 / Atazanavir / 0,09 / 14
24 / Atenolol / 2,1 / 3
25 / Aztreonam / 0,007 / 3
26 / Azapropazone / 0,1 / 15
27 / Azithromycin / 2,86 / 3
28 / Baclofen / 0,82 / 3
29 / Benazepril / 0,01 / 16
30 / Benznidazole / 0,52 / 11
31 / Benzylpenicillin / 0,43 / 17
32 / Budesonide / 0,46 / 18
33 / Bupivacaine / 0,34 / 3
34 / Bupropion / 1,3 / 19
35 / Butorphanol / 2,2 / 20
36 / Caffeine / 0,71 / 21
37 / Cannabis / 4,24 / 21
38 / Canrenone / 0,62 / 22
39 / Captopril / 0,031 / 3
40 / Carbamazepine 10,11-epoxide / 0,79 / 3
41 / Carbamazepine / 0,465 / 3
42 / Carbenicillin / 0,02 / 3
43 / a-Carotene / 0,06 / 23
44 / b-Carotene / 0,11 / 23
45 / Cefadroxil / 0,011 / 11
46 / Cefaloridine / 0,01 / 24
47 / Cefamandole / 0,02 / 11
48 / Cefazodone / 0,01 / 25
49 / Cefepime / 0,8 / 11
50 / Cefonicid / 0,002 / 11
51 / Cefotaxime / 0,16 / 3
52 / Cefotetan / 0,06 / 11
53 / Cefoxitin / 0 / 3
54 / Cefpodoxine / 0,16 / 11
55 / Cefprozil / 0,628 / 11
56 / Ceftriaxone / 0,045 / 3
57 / Ceftibuten / 0,035 / 3
58 / Celecoxib / 0,18 / 26
59 / Cephalexin / 0,012 / 3
60 / Cephalothin / 0,14 / 3
61 / Cephapirin Sodium / 0,13 / 11
62 / Cephazolin / 0,02 / 11
63 / Cephradin / 0,2 / 11
64 / Cerivastatin / 1,3 / 11
65 / Chloramphenicol / 0,655 / 3
66 / Chlormethiazole / 0,73 / 3
67 / Chloroquine / 1,4 / 3
68 / Chlorpromazine / 0,5 / 11
69 / Chlorprothixene / 1,48 / 3
70 / Chlortetracycline / 0,4 / 11
71 / Chlorthalidone / 0,05 / 27
72 / Cimetidine / 1,7 / 3
73 / Ciprofloxacin / 1,495 / 3
74 / Cisapride / 0,063 / 11
75 / Citalopram / 1,8 / 3
76 / Clarithromycin / 0,22 / 17
77 / Clindamycin / 1,55 / 3
78 / Clemastine / 0,375 / 3
79 / Clobazam / 0,25 / 24
80 / Clofazimine / 1,35 / 21
81 / Clomipramine / 1,03 / 3
82 / Clonazepam / 0,33 / 3
83 / Clonidine / 1,5 / 11
84 / Clorazepate / 0,2 / 11
85 / Clozapine / 2,79 / 3
86 / Codeine / 2,16 / 3
87 / Colchicine / 0,95 / 11
88 / Colistimethate / 0,18 / 11
89 / Cotinine / 0,78 / 3
90 / Cycloserine / 0,71 / 28
91 / Cyclosporine / 0,84 / 3
92 / Cyproterone / 0,39 / 11
93 / Dapsone / 0,34 / 3
94 / Daptomycin / 0,0012 / 29
95 / Descarboethoxyloratadine / 0,8 / 3
96 / Demeclocycline / 0,52 / 24
97 / Demethylcitalopram / 1,75 / 21
98 / Desethylamiodarone / 2,3 / 8
99 / Desmethylescitalopram / 2,2 / 30
100 / Desmethylmirtazapine / 0,6 / 31
101 / Desipramine / 0,915 / 3
102 / Desmethyldoxepin / 1,275 / 3
103 / Dexamphetamine / 3,3 / 32
104 / Diacetolol / 12,2 / 2
105 / Diazepam / 0,16 / 3
106 / Dieldrin / 6 / 3
107 / Digoxin / 0,55 / 3
108 / Diltiazem / 0,98 / 3
109 / Dicyclamide / 2,2 / 11
110 / Diphylline / 2,08 / 33
111 / Disopyramide / 0,9 / 3
112 / Domperidone / 0,4 / 34
113 / Dothiepin / 1,59 / 3
114 / Dothiepsulfoxide / 1,18 / 3
115 / Doxazosin mesylate / 0,1 / 35
116 / Doxepin / 1,37 / 3
117 / Doxorubicin / 1,19 / 3
118 / Doxycycline / 0,34 / 3
119 / Drospirenone / 0,23 / 3
120 / Duloxetine / 0,25 / 36
121 / Enalapril / 0,013 / 37
122 / Efavirenz / 0,78 / 38
123 / Eletriptan / 0,25 / 39
124 / Epicillin / 0,18 / 40
125 / Erythromycin / 0,455 / 3
126 / Ethambutol / 1,0 / 11
127 / Ethanol / 0,9 / 3
128 / Ethinyl estradiol / 0,25 / 11
129 / Ethosuximide / 0,8 / 3
130 / Escitalopram / 2,2 / 30
131 / Estradiol / 0,18 / 11
132 / Famotidine / 1,17 / 11
133 / Fenbufen / 0 / 41
134 / Fenoprofen / 0,017 / 42
135 / Fentanyl / 2,45 / 3
136 / Fexofenadine / 0,21 / 43
137 / Flecainide / 2,54 / 3
138 / Fleroxacin / 0,63 / 44
139 / Fluconazole / 0,74 / 3
140 / Flufenamic acid / 0,01 / 45
141 / Flunitrazepam / 0,54 / 3
142 / Fluoxetine / 0,68 / 3
143 / Flupenthixol / 1,3 / 46
144 / Flurbiprofen / 0,019 / 3
145 / Fluvoxamine / 1,32 / 3
146 / Gabapentin / 1 / 47
147 / Gentamicin D / 0,44 / 21
148 / Glutethimide / 0,15 / 11
149 / Haloperidol / 0,64 / 3
150 / Heptachlor epoxide / 3,92 / 3
151 / Hexachlorobenzene / 20 / 3
152 / Hexamine / 1,03 / 48
153 / Hydralazine / 0,25 / 49
154 / Hydrochlorothiazide / 0,5 / 50
155 / Hydromorphone / 2,57 / 3
156 / Ibuprofen / 0 / 3
157 / Imipramine / 0,76 / 3
158 / Indomethacin / 0,19 / 3
159 / Indoprofen / 0,026 / 11
160 / Isoniazid / 0,89 / 51
161 / Itraconazole / 1,61 / 11
162 / Ivermectin / 0,51 / 52
163 / Kanamycin / 0,23 / 11
164 / Ketobemidone / 8,9 / 45
165 / Ketorolac / 0,026 / 3
166 / Labetalol / 1,5 / 53
167 / Lamivudine / 2,96 / 54
168 / Lamotrigine / 0,425 / 3
169 / Levetiracetam / 1,05 / 55
170 / Levobupivacaine / 0,34 / 56
171 / Levodopa / 0,3 / 3
172 / Levonorgestrel / 0,8 / 57
173 / Lidocaine / 1,07 / 3
174 / Lincomycin / 0,4 / 11
175 / Loperamide / 0,41 / 11
176 / Lopinavir / 0,16 / 11
177 / Loratadine / 1,2 / 3
178 / Lorazepam / 0,205 / 3
179 / Lormetazepam / 0,06 / 58
180 / Lutein / 0,3 / 23
181 / Lycopene / 0,28 / 23
182 / Lynestrenol / 0,16 / 11
183 / Maprotiline / 1,4 / 59
184 / 4-Menaquinone / 14,83 / 11
185 / Medroxyprogesterone / 0,72 / 3
186 / Mefenamic acid / 0,18 / 60
187 / Mefloquine / 0,145 / 3
188 / Megestrol / 0,7 / 11
189 / Metformin / 0,49 / 61
190 / Meperidine / 1,07 / 62
191 / Mepindolol / 2,6 / 3
192 / Meprobamate / 3,0 / 11
193 / Mesalamine / 0,13 / 11
194 / Metaclazepam / 0,31 / 63
195 / Metaclazepam Desmethyl / 0,22 / 63
196 / Methadone / 0,83 / 3
197 / Methimazole / 1,03 / 3
198 / Methotrexate / 0,04 / 3
199 / Methyldopa / 0,265 / 3
200 / Methylergometrine / 0,18 / 64
201 / Methylphenidate / 1,1 / 3
202 / Metoclopramide / 0,915 / 3
203 / Metoprolol / 2,55 / 3
204 / Metronidazole / 0,98 / 3
205 / Mexiletine / 1,48 / 3
206 / Mianserin / 2,2 / 3
207 / Midazolam / 0,09 / 3
208 / Minoxidil / 0,76 / 3
209 / Mirtazapine / 1,1 / 31
210 / Misoprostol / 0,06 / 64
211 / Moclobemide / 0,72 / 3
212 / Morphine / 2,46 / 3
213 / Moxidectin / 1,77 / 65
214 / Nalidixic acid / 0,11 / 11
215 / Nadolol / 4,6 / 3
216 / Naproxen / 0,16 / 3
217 / N-desmethylsertraline / 1,64 / 3
218 / N-desmethyldoxepin / 1,275 / 66
219 / Nelfinavir / 0,12 / 67
220 / Nelfinavir Hydroxy-tert-Butylamide / 0,03 / 67
221 / Nefazodone / 0,27 / 68
222 / Nefopam / 1,2 / 3
223 / Nevirapine / 0,74 / 11
224 / Nicardipine / 0,3 / 69
225 / Nicotine / 2,25 / 3
226 / Nitrazepam / 0,27 / 3
227 / Nitrendipine / 0,35 / 3
228 / Nizatidine / 3 / 11
229 / Nitrofuranthoin / 2,25 / 3
230 / Nordothiepin / 0,85 / 21
231 / Nordothiepsulfoxide / 1,86 / 21
232 / Norethindrone / 0,19 / 3
233 / Norethisterone / 0,175 / 11
234 / Norfluoxetine / 0,56 / 3
235 / Norgestrel / 0,15 / 11
236 / Norpropoxyphene / 0,38 / 70
237 / Nortriptyline / 0,65 / 3
238 / Noscapine / 0,29 / 3
239 / Novobiocin / 0,18 / 11
240 / O-desmethylvenlafaxine / 2,7 / 71
241 / o,p'- DDE / 3 / 3
242 / o,p'- DDT / 15,2 / 3
243 / Ochratoxin A / 0,25 / 72
244 / Ofloxacin / 1,19 / 3
245 / Olanzapine / 0,38 / 3
246 / Oxazepam / 0,1 / 3
247 / Oxcarbazepine / 0,05 / 11
248 / Oxprenolol / 0,37 / 3
249 / Oxychlordane / 9 / 73
250 / Oxycodone / 3,2 / 74
251 / Oxypurinol / 3,1 / 6
252 / p,p'-DDD / 23,5 / 3
253 / p,p'-DDE / 7,37 / 3
254 / p,p'-DDT / 11,58 / 3
255 / Pantoprazol / 0,022 / 75
256 / Paracetamol / 0,88 / 3
257 / Parecoxib / 0,5 / 76
258 / Paroxetine / 0,75 / 3
259 / PCB 114 / 4,35 / 3
260 / PCB 118 / 1,816 / 3
261 / PCB 138 / 1,91 / 3
262 / PCB 146 / 2,009 / 3
263 / PCB 153 / 1,901 / 3
264 / PCB 156 / 1,866 / 3
265 / PCB 170 / 1,618 / 3
266 / PCB 180 / 1,549 / 3
267 / PCB 194 / 1,199 / 3
268 / PCB 199 / 1,371 / 3
269 / PCB 202 / 6,08 / 3
270 / PCB 206 / 0,729 / 3
271 / PCB 209 / 0,505 / 3
272 / PCB 33 / 0,64 / 3
273 / PCB 52 / 2,11 / 3
274 / PCB 74 / 1,963 / 3
275 / PCB 99 / 2,023 / 3
276 / Pefloxacin / 0,96 / 3
277 / Penicillin V / 0,37 / 3
278 / Penicillin G / 0,315 / 3
279 / Pentoxifylline / 0,87 / 77
280 / Perphenazine / 0,9 / 3
281 / Pethidine / 1,25 / 3
282 / Phenacetine / 0,67 / 3
283 / Phenobarbitone / 0,5 / 3
284 / Phenylbutazone / 0,13 / 45
285 / Phenytoin / 0,363 / 21
286 / Phylloquinone / 3,97 / 11
287 / Pinazepam / 0,55 / 11
288 / Piroxicam / 0,02 / 3
289 / Prazepam / 0,1 / 11
290 / Praziquantel / 0,24 / 11
291 / Prednisolone / 0,13 / 3
292 / Piperaquine / 0,58 / 78
293 / Primidone / 0,8 / 79
294 / Procainamide / 3,2 / 3
295 / Procainamide N-Acetyl / 3,6 / 11
296 / Propranolol / 0,36 / 3
297 / Propoxyphene / 0,42 / 70
298 / Propylthiouracil / 0,23 / 3
299 / Pseudoephedrine / 2,5 / 3
300 / Pyrazinamide / 0,036 / 11
301 / Pyridostigmine / 0,66 / 80
302 / Pyrimethamine / 0,56 / 3
303 / Quazepam / 4,13 / 3
304 / Quetiapine / 0,29 / 81
305 / Quinapril / 0,12 / 3
306 / Quinidine / 0,71 / 11
307 / Quinine / 0,35 / 82
308 / Ranitidine / 4,3 / 11
309 / Reboxetine / 0,06 / 83
310 / Retinol / 0,45 / 23
311 / Rifampicin / 0,2 / 11
312 / Risperidone / 0,26 / 3
313 / Ritonavir / 0,16 / 11
314 / Rofecoxib / 0,25 / 3
315 / Ropivacaine / 0,25 / 84
316 / Rosaramicin / 0,12 / 3
317 / Roxatidine / 2,2 / 11
318 / Roxithromycin / 0,035 / 3
319 / Saccharin / 0,629 / 11
320 / Salicylic acid / 0,05 / 11
321 / Sotalol / 3,74 / 3
322 / Sertraline / 1,76 / 3
323 / Stavudine / 1,73 / 54
324 / Streptomycin / 0,75 / 11
325 / Sulfacetamide / 0,08 / 11
326 / Sulfadiazine / 0,21 / 11
327 / Sulfamethoxazole / 0,1 / 3
328 / Sulfanilamide / 0,6 / 11
329 / Sulfapyridine / 0,63 / 85
330 / Sulfasalazine / 0,4 / 85
331 / Sulfathiazole / 0,43 / 11
332 / Sulfisoxazole / 0,06 / 86
333 / Sumatriptan / 4,9 / 3
334 / Suprofen / 0,014 / 3
335 / T3 / 0,36 / 87
336 / Tacrolimus / 2,2 / 11
337 / Temazepam / 0,14 / 3
338 / Tenoxicam / 0,017 / 88
339 / Tenoxicam 5-Hydroxy / 0,044 / 88
340 / Terbutafine / 7,0 / 11
341 / Terbutaline / 1,04 / 3
342 / Terfenadine / 0,2 / 43
343 / Tetrachloroethylene / 3 / 3
344 / Tetracycline / 0,95 / 3
345 / Theobromine / 0,82 / 3
346 / Theophylline / 0,7 / 3
347 / Thiopental / 0,42 / 11
348 / Tiapamil / 0,44 / 3
349 / Timolol / 0,8 / 3
350 / Tinidazole / 1,005 / 3
351 / a-Tocopherol / 0,33 / 23
352 / g-Tocopherol / 0,21 / 23
353 / Tolbutamide / 0,25 / 89
354 / Tolmetin / 0,005 / 3
355 / Topiramate / 0,86 / 90
356 / Tramadol / 2,2 / 3
357 / Tranexamic acid / 0,01 / 11
358 / Trazodone / 0,53 / 3
359 / Trimethoprim / 1,25 / 91
360 / Triprolidine / 0,53 / 3
361 / Valdecoxib / 0,14 / 76
362 / Valproic acid / 0,053 / 3
363 / Vancomycin / 1 / 3
364 / Venlafaxine / 2,5 / 71
365 / Verapamil / 0,6 / 3
366 / Vigabatrin / 1 / 3
367 / Vitamin E / 0,97 / 11
368 / Warfarin / 0 / 92
369 / Zeaxanthin / 0,289 / 23
370 / Zaleplon / 0,5 / 93
371 / Zidovudine / 1,45 / 3
372 / Zolpidem / 0,16 / 3
373 / Zonisamide / 0,93 / 3
374 / Zopiclone / 0,555 / 3
375 / Zuclopenthixol / 0,34 / 94

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