| ID | Name | CAS | Data |
McVol (ml/mol) |
| 98-381-1 |
3-Methoxypropyl isothiocyanate
|
|
3 | 104.910 |
| 98-411-7 |
Thiazole, 5-ethoxy-
|
25115-63-3 |
3 | 94.050 |
| 98-420-7 |
Pyrimidine, 2-(methylthio)-
|
823-09-6 |
3 | 93.860 |
| 98-439-7 |
Purine, 2-chloro-
|
|
3 | 94.550 |
| 98-705-1 |
Sulfur diimide, dimethyl-
|
|
3 | 71.050 |
| 98-723-1 |
4,5-Dichloroimidazole
|
15965-30-7 |
3 | 78.110 |
| 105-704-3 |
2-(phenylhydrazinylidene)propanedinitrile
|
|
3 | 132.330 |
| 113-798-1 |
1-hydroxy-tacrine
|
|
3 | 165.780 |
| 113-998-9 |
Leucine, n-amino-
|
89937-51-9 |
3 | 122.800 |
| 114-706-1 |
13-Propionyloxy-lupanine
|
|
3 | 250.010 |
| 115-114-7 |
Mofebutazone, bis-methylated
|
|
3 | 210.690 |
| 115-217-3 |
Propionylecgonine methyl ester
|
|
3 | 197.170 |
| 115-260-5 |
9-O-senecioylplatynecine
|
|
3 | 191.300 |
| 115-385-7 |
4''-Methoxy fentanyl
|
|
3 | 303.950 |
| 115-797-0 |
Methylphenidate, N-trifluoroacetyl-
|
27765-90-8 |
3 | 225.980 |
| 117-628-5 |
4'-Chloro fentanyl
|
|
3 | 296.230 |
| 117-723-9 |
Pentafluorobenzoic acid, morpholide
|
|
3 | 157.500 |
| 118-187-4 |
2-(MORPHOLINOTHIO)BENZOTHIAZOLE
|
|
3 | 174.600 |
| 118-495-2 |
cis-Zeatin, permethylated
|
|
3 | 206.580 |
| 118-498-9 |
Glutamine, n-hydroxy-
|
|
3 | 116.150 |
| 123-337-1 |
Viloxazine, N-acetyl-
|
33585-04-5 |
3 | 216.750 |
| 124-297-5 |
4-hydroxy-midazolam
|
59468-85-8 |
3 | 232.160 |
| 13-819-8 |
Imidosulfurous difluoride, (trifluoromethyl)-
|
1512-14-7 |
2 | 60.130 |
| 14-450-6 |
Mequitazine M (sulfoxide)
|
|
2 | 254.740 |
| 15-369-6 |
METHANONE, DICYCLOPROPYL-, OXIME
|
|
2 | 99.320 |
| 16-159-8 |
Delta-camphor oxime
|
|
2 | 141.590 |
| 17-027-3 |
Rhodanine, 3-benzylideneamino
|
|
2 | 162.770 |
| 17-099-4 |
Tryptophan, 6-fluoro-
|
7730-20-3 |
2 | 156.100 |
| 18-128-0 |
Purine, 6-propoxy-
|
5417-86-7 |
2 | 130.450 |
| 19-166-7 |
3-Chloroisatoic anhydride
|
|
2 | 120.190 |
| 23-528-0 |
Indoline, n-trifluoroacetyl-
|
|
2 | 134.000 |
| 23-721-5 |
7-O-Senecioylplatinecine
|
|
2 | 191.300 |
| 24-077-0 |
3-Heptyl isothiocyanate
|
206761-66-2 |
2 | 141.310 |
| 24-294-9 |
Rhodanine, n-diacetylamino-
|
|
2 | 151.700 |
| 27-556-5 |
Glyoxylic acid semicarbazone
|
|
2 | 87.780 |
| 29-858-8 |
Uracil, 6-(trifluoromethyl)-
|
|
2 | 94.560 |
| 35-997-7 |
Purine, 8-(methylsulfonyl)-
|
10179-91-6 |
2 | 124.490 |
| 39-754-2 |
Purine, 6-(methylthiomethylthio)-
|
|
2 | 143.190 |
| 39-833-4 |
Purine, 2-hydrazino-
|
|
2 | 102.270 |
| 40-567-8 |
Cyclohexyl methyl ethylphosphonate
|
|
2 | 164.880 |
| 40-608-2 |
3-(Benzylamino)quinuclidine
|
|
2 | 182.600 |
| 41-574-9 |
2-Pentane isothiocyanate
|
|
2 | 113.130 |
| 41-695-5 |
Phosgard b52r (monsanto)
|
|
2 | 403.220 |
| 42-733-1 |
Ammonium phosphate, dibasic
|
|
2 | 74.760 |
| 43-148-0 |
Isothiocyanatoacetaldehyde dimethyl acetal
|
75052-04-9 |
2 | 110.780 |
| 43-668-3 |
13.alpha.-Acetyloxylupanine
|
|
2 | 235.920 |
| 45-377-4 |
Thiopurine, 8-methyl-
|
|
2 | 112.750 |
| 45-701-3 |
Succinimide, n-acetoxy-
|
|
2 | 105.100 |
| 46-432-1 |
Morpholine, 4-(triphenylmethyl)-
|
1420-06-0 |
2 | 268.640 |
| 46-466-4 |
Ammonium phosphate, monobasic
|
7722-76-1 |
2 | 64.780 |
| 47-086-5 |
Diethyl-5-hydantolylylphosphonate
|
95378-36-2 |
2 | 159.800 |
| 47-643-6 |
Acetone beta-mercaptopropionhydrazone
|
689-42-9 |
2 | 128.980 |
| 52-083-2 |
2,6-Pyridinedimethanol
|
1195-59-1 |
2 | 107.450 |
| 57-054-9 |
2(3H)-Benzothiazolone
|
934-34-9 |
2 | 102.770 |
| 57-153-9 |
Purine, 1-ethyl-
|
7496-45-9 |
2 | 110.490 |
| 57-739-9 |
2-Chloroallyl isothiocyanate
|
|
2 | 92.890 |
| 57-958-6 |
N-t-Butylpyrrole
|
24764-40-7 |
2 | 114.100 |
| 59-670-3 |
4-Trichloroacetyl morpholine
|
|
2 | 144.550 |
| 61-295-7 |
Mirtazapine-M (oxo-)
|
|
2 | 212.660 |
| 61-525-1 |
Rhodanine, 3-salicylideneamino-
|
|
2 | 168.640 |
| 62-228-0 |
Pentafluoropropionic acid, morpholide
|
|
2 | 124.900 |
| 62-717-7 |
Purine, 6-(ethylthio)-
|
5417-84-5 |
2 | 126.840 |
| 63-295-5 |
Nicotinaldehyde, 6-purinylhydrazone
|
|
2 | 168.730 |
| 63-927-3 |
Trifluoroacetic acid, morpholide
|
|
2 | 107.270 |
| 64-780-5 |
Dodecahydrocarbazole, N-trifluoroacetyl-
|
|
2 | 192.400 |
| 65-457-3 |
N-(Cyclohexyl)succinimide
|
|
2 | 143.160 |
| 66-462-6 |
Inosine, tetramethyl ether
|
|
2 | 227.610 |
| 77-727-0 |
Purine, 2-azido-
|
|
2 | 103.650 |
| 77-728-9 |
Purine, 6-iodo-
|
|
2 | 108.130 |
| 80-822-0 |
2,6-Diaminopurine
|
1904-98-9 |
2 | 102.270 |
| 81-204-5 |
Acetyl chloride, dichlorophosphinyl-
|
|
2 | 103.660 |
| 83-645-4 |
Purine, 6-(decylthio)-
|
6974-90-9 |
2 | 239.560 |
| 85-591-2 |
Purine, 6-benzylthio-
|
|
2 | 173.530 |
| 85-875-7 |
Hypoxanthine, 7-cyclopentyl
|
|
2 | 147.770 |
| 88-210-1 |
4-NH2-pyrazole
|
|
2 | 63.610 |
| 88-318-2 |
Imidosulfurous difluoride, (fluorocarbonyl)-
|
|
2 | 58.160 |
| 90-955-2 |
Ecgonidine, methyl ester
|
127379-24-2 |
2 | 143.160 |
| 92-353-8 |
3-Pentane isothiocyanate
|
|
2 | 113.130 |
| 93-588-7 |
N-Benzylisatoic anhydride
|
|
2 | 182.820 |
| 94-397-8 |
4-P-hydroxyphenylmorpholine
|
6291-23-2 |
2 | 138.860 |
| 96-433-5 |
Piretanide + TMAH
|
|
2 | 295.640 |
| 96-634-2 |
Acetamide, n-(cyanomethyl)-
|
4814-80-6 |
2 | 80.150 |
| 96-786-4 |
Purine, 2-(trifluoromethyl)-
|
|
2 | 101.710 |
| 96-864-7 |
Diallyl hydrogen phosphite
|
23679-20-1 |
2 | 124.870 |
| 96-900-6 |
Purine-8-methanol
|
|
2 | 102.270 |
| 98-502-6 |
6-Aminohexanoic acid
|
|
2 | 112.820 |
| 102-006-1 |
4-morpholinepropanesulfonic acid
|
|
2 | 148.440 |
| 107-483-7 |
pyridoxal 5-phosphate
|
|
2 | 161.180 |
| 116-575-5 |
2,6-Diacetoacetamidopyridine
|
63896-86-6 |
2 | 206.490 |
| 118-819-2 |
Hydrouracil, 1-nitroso-
|
16813-36-8 |
2 | 91.010 |
| 119-682-3 |
Methamphetamine, TPC derivative
|
21772-62-3 |
2 | 244.180 |
| 120-054-8 |
DIMETHYLOL ETHYLENE UREA
|
|
2 | 103.720 |
| 59-408-4 |
Acetic acid, methyl ester
|
79-20-9 |
47 | 60.570 |
| 48-904-5 |
Acetic acid, butyl ester
|
123-86-4 |
42 | 102.840 |
| 57-625-5 |
Ethane, 1,2-dichloro-
|
107-06-2 |
42 | 63.520 |
| 50-704-4 |
Pentane, 2,4-dimethyl-
|
108-08-7 |
41 | 109.490 |
| 60-920-3 |
Pentane, 3,3-dimethyl-
|
562-49-2 |
41 | 109.490 |
| 15-697-2 |
Pentane, 2,2-dimethyl-
|
590-35-2 |
40 | 109.490 |
| 37-185-6 |
Di-n-propyl ether
|
111-43-3 |
40 | 101.270 |
| 29-455-5 |
Methylamine, N,N-dimethyl-
|
75-50-3 |
39 | 63.110 |
|
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