| ID | Name | CAS | Data |
McVol (ml/mol) |
| 21-086-3 |
2,3,5,6-Pyridinetetracarbonitrile
|
17638-20-9 |
3 | 129.410 |
| 22-604-6 |
2(3H)-Benzothiazolethione, 3-methyl-
|
2254-94-6 |
3 | 127.340 |
| 22-762-1 |
1-Methyl-3-piperidyl cyclopentylphenylglycolate
|
|
3 | 256.380 |
| 23-434-4 |
Carbostyril, n-methyl-6-(trifluoromethyl)-
|
2261-94-1 |
3 | 143.790 |
| 23-452-4 |
2-(4-Methylphenylthio)phenyl isothiocyanate
|
|
3 | 194.680 |
| 24-048-2 |
4-Bromo-2-trifluoromethylphenyl isothiocyanate
|
206559-46-8 |
3 | 140.360 |
| 24-476-7 |
2,4-Bis(trichloromethyl)pyridine
|
|
3 | 169.150 |
| 24-926-7 |
3«beta»,13«alpha»-Dihydroxylupanine
|
|
3 | 212.040 |
| 25-230-8 |
1,3,6,9b-Tetraazaphenalene
|
|
3 | 119.210 |
| 25-698-0 |
Dibenzepin M(Ter-nor), acetylated
|
|
3 | 268.930 |
| 25-808-7 |
[2H5]trans-Zeatin riboside, permethylated
|
|
3 | 317.830 |
| 25-981-5 |
1,2-Naphthalenedione, 1-(phenylhydrazone)
|
|
3 | 190.850 |
| 26-109-2 |
Bis-2-chloroethyl-2-chloroethylphosphonate
|
|
3 | 170.190 |
| 26-146-1 |
Acetamide, 9h-purine-9-yl
|
99595-72-9 |
3 | 122.040 |
| 26-336-0 |
Thiazole, 4-ethyl-2-propyl-
|
41981-68-4 |
3 | 130.450 |
| 26-378-4 |
3'-hydroxy-N-benzylpiperazine, diTFA
|
|
3 | 227.180 |
| 26-732-0 |
1,4,9-tribromo-dibenzofuran
|
|
3 | 179.930 |
| 27-293-7 |
Thiophene-2-carboxamide, N-tetrahydrofurfuryl-
|
|
3 | 155.210 |
| 27-372-9 |
o,o'-Dipropyl allyl phosphonothioate
|
|
3 | 181.920 |
| 27-662-7 |
1-Amino-2,6-dimethylpiperidine
|
39135-39-2 |
3 | 118.590 |
| 27-946-2 |
(S)-(-)-2-(Methoxymethyl)-1-pyrrolidinecarboxaldehyde
|
63126-45-4 |
3 | 116.050 |
| 28-123-4 |
1-(1-phenylcyclohexyl)-3-hydroxypiperidine
|
|
3 | 220.760 |
| 28-807-5 |
1,3-Cyclopentadiene, 5-diazo-
|
|
3 | 73.210 |
| 28-851-6 |
2-Pyrimidinecarbamonitrile, 4,6-dimethyl-
|
|
3 | 117.050 |
| 29-473-5 |
2,4,7-tribromo-dibenzofuran
|
|
3 | 179.930 |
| 29-915-4 |
7-Angeloyl-9-(hydroxypropenoyl) retronecine
|
|
3 | 236.710 |
| 30-238-4 |
7-Tigoyl-9-(hydroxypropenoyl) retronecine
|
|
3 | 236.710 |
| 30-708-2 |
1,2,4,5-Tetrazine
|
290-96-0 |
3 | 55.200 |
| 30-780-2 |
2,4,9-tribromo-dibenzofuran
|
|
3 | 179.930 |
| 30-908-0 |
Quinapril desethyl 3Me (Quinaprilate 3Me)
|
|
3 | 355.230 |
| 31-065-5 |
Fluvoxamine, carboxylic acid, methylated, acetylated
|
|
3 | 262.480 |
| 31-413-8 |
4-Pyrimidinethiol, 5,6-diamino-
|
|
3 | 99.730 |
| 31-546-1 |
1-Aminocyclopropanecarboxylic acid, N-dimethylaminomethylene-
|
|
3 | 121.730 |
| 31-695-6 |
2-Heptyl-4,5-dimethylthiazole
|
|
3 | 186.810 |
| 32-046-5 |
2,5-Pyrrolidinedione, 1-ethyl-
|
|
3 | 97.660 |
| 32-517-2 |
Isothipendyl M (hydroxy-ring), acetylated
|
|
3 | 209.150 |
| 33-232-7 |
Mirtazapine-M (nor-HO-) 2AC
|
|
3 | 262.370 |
| 33-269-7 |
2-(2-Thiazolylazo)-p-cresol
|
|
3 | 156.400 |
| 33-674-7 |
Zopiclone-M/artifact (alcohol) AC
|
|
3 | 196.820 |
| 33-694-5 |
4-(P-chlorophenyl) sulfonyl morpholine
|
|
3 | 173.320 |
| 34-206-5 |
3,5-Dimethyl-2-propylthiophene
|
|
3 | 134.560 |
| 34-483-8 |
3-Acetyl-2,5-dichlorothiophene
|
|
3 | 118.340 |
| 35-594-4 |
pyrazine, 2-Ethyl, 6-vinyl
|
|
3 | 115.480 |
| 36-138-9 |
Thiophene, 2,3,4-trimethyl-
|
1795-04-6 |
3 | 106.380 |
| 36-510-5 |
Butyric acid, 2-[(isopropylideneamino)oxy]-
|
5001-37-6 |
3 | 128.480 |
| 36-619-5 |
5-methyl-5(H)-cyclopentapyrazine
|
65128-99-6 |
3 | 104.620 |
| 37-154-0 |
2,2-Dimethylpropionic acid, morpholide
|
|
3 | 144.230 |
| 37-423-1 |
2-Amino-5,6-dimethylbenzimidazole
|
29096-75-1 |
3 | 128.690 |
| 37-507-8 |
2,4(1H,3H)-Pteridinedione
|
|
3 | 103.840 |
| 38-005-4 |
Nefazodone-M (desamino-HO-) AC
|
|
3 | 256.290 |
| 38-028-9 |
Acetone, methylthio, PFBO # 2
|
|
3 | 164.750 |
| 38-401-4 |
2-Hexyl-4,5-dimethylthiazole
|
|
3 | 172.720 |
| 38-571-6 |
15«beta»-Hydroxy-17-oxolupanine
|
|
3 | 207.740 |
| 38-997-4 |
Uric acid, 1,7-dimethyl
|
|
3 | 128.100 |
| 39-236-7 |
Pyridine, 4-(fluoren-9-ylidenemethyl)-
|
|
3 | 202.110 |
| 40-007-9 |
10-Undecynoic acid, picolinyl ester
|
|
3 | 235.450 |
| 41-685-6 |
Californine-M (nor-demethylene) 3AC
|
|
3 | 293.000 |
| 41-933-0 |
2-Chloro-5-trifluoromethylphenyl isothiocyanate
|
|
3 | 135.100 |
| 41-938-5 |
1,4,7-trimethyl-dibenzothiophene
|
|
3 | 180.180 |
| 42-089-7 |
1-isopentyl-2(1H)-pyrazinone
|
|
3 | 139.740 |
| 42-151-7 |
5-Fluoro-2-methylphenyl isothiocyanate
|
|
3 | 119.320 |
| 42-594-6 |
5-ethyl-2-hexyl-thiazole
|
|
3 | 172.720 |
| 42-808-8 |
3(2H)-Isothiazolone, 2-octyl-
|
26530-20-1 |
3 | 178.590 |
| 43-079-7 |
9-(Butyryl-2-ene) supinidine
|
|
3 | 167.040 |
| 43-734-9 |
2-butyl-4,5-diethyloxazole
|
|
3 | 162.240 |
| 43-763-7 |
Benazepril desethyl 3Me (Benazeprilate 3Me)
|
|
3 | 341.140 |
| 44-509-8 |
7-Amino-4-(methoxymethyl)coumarin
|
175205-10-4 |
3 | 150.220 |
| 44-702-3 |
L-Phe-L-Pro lactam
|
|
3 | 185.740 |
| 44-911-1 |
Cyclopenta[def]pyren-4-one
|
|
3 | 167.560 |
| 44-986-9 |
Paroxetine, demethylenyl-3-methyl, diacetyl
|
|
3 | 309.050 |
| 45-353-0 |
13-cis-Cinnamoyloxy-17-oxolupanine
|
|
3 | 308.060 |
| 46-411-4 |
Benzo(b)thiophene-2-carboxamide
|
6314-42-7 |
3 | 126.650 |
| 46-779-7 |
3,7-Dihydroxy-6-tigloyloxytropane
|
|
3 | 183.080 |
| 47-996-5 |
Propane, 2-isothiocyanato-2-methyl-
|
590-42-1 |
3 | 99.040 |
| 48-230-3 |
5-Hydroxytryptamine, methyl, 2-PFP
|
|
3 | 258.140 |
| 48-536-4 |
2-hexyl-5-methyl-thiazole
|
|
3 | 158.630 |
| 48-647-1 |
2,4,6-Trimethylphenyl isothiocyanate
|
|
3 | 145.730 |
| 48-879-4 |
Purin-2-ol, 6-dimethylamino-
|
24391-36-4 |
3 | 126.340 |
| 49-193-4 |
3,3-Dimethyl-1-isopropyldiaziridine
|
|
3 | 104.500 |
| 50-028-5 |
11,12-Dehydro-«alpha»-isolupanine
|
|
3 | 196.000 |
| 50-054-6 |
2,4-Imidazolidinedione, 3-methyl-
|
|
3 | 79.460 |
| 50-895-3 |
5,6-Dehydro-17-oxosparteine
|
|
3 | 196.000 |
| 51-033-8 |
Dibenzofuran, 1,4,9-trichloro
|
|
3 | 164.150 |
| 51-406-4 |
2,4-Diazido-6-methylpyrimidine
|
1680-11-1 |
3 | 120.190 |
| 51-684-6 |
Cyclohexane,1-chloro-1-nitroso-
|
|
3 | 108.330 |
| 51-894-3 |
5-Hydroxytryptophan, methyl, 3-PFP
|
|
3 | 346.450 |
| 52-491-9 |
DILTIAZEM, M(DESAMINO-HO-), AC
|
|
3 | 311.110 |
| 53-572-8 |
2-Benzothiazolinethione, 3-(o-chloroanilinomethyl)-
|
116400-95-4 |
3 | 210.340 |
| 53-641-1 |
1,3,7-Trimethylxanthine, TMS
|
|
3 | 140.620 |
| 53-876-1 |
Moexipril desethyl 3Me (Moexprilate 3Me)
|
|
3 | 395.150 |
| 54-327-9 |
Purine, 2,6,8-trimethyl
|
|
3 | 124.580 |
| 54-841-8 |
Phosphorodichloridothioic acid, O-methyl ester
|
|
3 | 92.110 |
| 54-907-5 |
Perindopril desethyl 3Me (Perindoprilate 3Me)
|
|
3 | 307.350 |
| 55-821-9 |
Mequitazine M (hydroxy-sulfoxide), acetylated
|
|
3 | 290.360 |
| 56-125-1 |
Isothipendyl M (nor-hydroxy-), acetylated
|
|
3 | 275.490 |
| 56-179-2 |
Noxiptyline M(Nor-HO), acetylated
|
|
3 | 293.000 |
| 56-626-5 |
4,6-Dihydroxypyrimidine, bis(heptafluorobutyrate)
|
|
3 | 215.800 |
| 57-051-2 |
3,4,8-tribromo-dibenzofuran
|
|
3 | 179.930 |
| 57-591-3 |
Nomifensine M(HO-methoxy), diacetylated
|
|
3 | 283.210 |
| 57-781-2 |
4-Methoxy-2-methylphenyl isothiocyanate
|
|
3 | 137.510 |
|
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