| ID | Name | CAS | Data |
McVol (ml/mol) |
| 35-539-5 |
Dodecahydro-1H,6H,11H-tripyrido[1,2-a:1',2'-c:1",2"-e][1,3,5]triazine
|
522-33-8 |
4 | 208.710 |
| 35-612-3 |
5.beta.-Androstan-3.alpha.,11.beta.-diol-17-one (Androsterone), MO
|
|
4 | 272.510 |
| 35-907-6 |
P-phenylenediamine, n,n-dimethyl, n',n'-bis(3,4-dimethylphenyl sulfonyl)-
|
|
4 | 353.880 |
| 36-406-1 |
2,6-Methano-1,4-benzodioxocin-5(6h)-one, 2,3-dihydro-6-phenyl-
|
|
4 | 194.460 |
| 36-924-6 |
1,3-Cyclobutanedicarbonitrile, 1,3-dihydroxy-2,2,4,4-tetramethyl-
|
|
4 | 155.400 |
| 37-160-3 |
2H-PYRIMIDO[1,2-A]PYRIMIDINE, 1,3,4,6,7,8-HEXAHYDRO-
|
|
4 | 113.410 |
| 37-781-4 |
Eburnamenine-14-carboxylic acid, 14,15-dihydro-14-hydroxy-, methyl ester, (3«alpha»,14«alpha»,16«alpha»)-
|
6835-99-0 |
4 | 268.520 |
| 38-281-8 |
Bicyclo[2.2.1]hept-5-ene-2-carboxaldehyde, 1,4,5,6,7,7-hexachloro-
|
39234-24-7 |
4 | 172.570 |
| 38-312-3 |
3-Hydroxy-2-phenyl-propionic acid 6-hydroxy-8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester
|
|
4 | 234.070 |
| 38-685-0 |
Urea, 1-(2-chloroethyl)-3-(3,5,7-trimethyl-1-adamantyl)-
|
33021-59-9 |
4 | 237.490 |
| 39-396-0 |
3-Tetrazene-2-carboximidamide, 4-(1H-tetrazol-5-yl)-,monohydrate
|
31330-63-9 |
4 | 110.780 |
| 40-191-5 |
2-Propanone, [(9-beta-d-ribofuranosyl-9h-purin-6-yl)thio]-
|
|
4 | 225.570 |
| 40-587-6 |
Cinchonan-9-ol, 10,11-dihydro-6'-methoxy-, (8«alpha»,9R)-
|
522-66-7 |
4 | 259.420 |
| 40-883-7 |
1-Phenyl-1,4-dicyano-1,2,3,4-tetrahydronaphthalene
|
25679-87-2 |
4 | 208.860 |
| 40-956-6 |
2-Imidazolidinone, 3-[5-(1,1-dimethylethyl)-1,3,4-thiadiazol-2-yl]-4-hydroxy-1-methyl-
|
55511-98-3 |
4 | 185.150 |
| 41-123-9 |
1,3-Cyclopentadiene, 1,2,3,4-tetrachloro-5,5-dimethoxy-
|
2207-27-4 |
4 | 150.730 |
| 41-252-6 |
l-Tyrosine, N,O-bis(2,3,4-trifluorobenzoyl)-, methyl ester
|
|
4 | 314.790 |
| 41-267-0 |
Bicyclo[2.2.1]hepta-2,5-diene, 1,2,3,4,7,7-hexachloro-
|
|
4 | 152.610 |
| 41-789-1 |
1-Azabicyclo[2.2.2]octane-4-ol acetate(ester)
|
26458-76-4 |
4 | 133.370 |
| 41-840-3 |
3-Cyclohexene-1-ethanol, «alpha»-ethenyl-«alpha»,3-dimethyl-6-(1-methylethylidene)-
|
55780-93-3 |
4 | 204.320 |
| 41-928-6 |
1,5-Pentanediamine, N-(6-methoxy-8-quinolinyl)-N'-(1-methylethyl)-
|
86-78-2 |
4 | 257.070 |
| 42-379-5 |
2H-Pyrimido[1,2-a]pyrimidine, 1,3,4,6,7,8-hexahydro-1-methyl-
|
84030-20-6 |
4 | 127.500 |
| 42-392-0 |
4H-1-Benzopyran-4-one, 5-hydroxy-6,7-dimethoxy-2-(4-methoxyphenyl)-
|
19103-54-9 |
4 | 232.720 |
| 43-021-0 |
Phosphoro diamidic acid, n,n'-bis (2,4-dimethyl phenyl), ethyl ester
|
|
4 | 269.120 |
| 43-060-7 |
7-Chloro-3-methyl-quinoline-8-carboxylic acid, butyl ester
|
|
4 | 208.650 |
| 43-197-6 |
5-O-benzoyl-n-benzyl-2,3-o-(1-methylethylidene)-n-(trifluoroacetyl)pentofuranosylamine
|
|
4 | 321.690 |
| 43-198-5 |
P-toluenesulfonamide, n,n'-(1,4-cyclohexylene)bis[n-(2-hydroxyethyl)-, diacetate
|
|
4 | 438.020 |
| 43-867-2 |
5-(2-ethyl,5-methylheptanyl)-3-methyl-2H-pyran-2-one
|
|
4 | 224.280 |
| 43-935-6 |
N-tert-Butyl-N'-acetyl-6-chloro-1,3,5-triazine-2,4-diamine
|
|
4 | 177.620 |
| 44-014-7 |
Butyric acid,4-hydroxy-2-(o-hydroxyphenyl)-2-phenyl-,gamma-lactone
|
93011-89-3 |
4 | 191.230 |
| 44-273-0 |
1H-Isoindole-1,3(2H)-dione, 2-(2,6-dioxo-3-piperidinyl)-
|
50-35-1 |
4 | 174.790 |
| 44-414-3 |
1,3,5-Triazin-2(1H)-one, 4,6-diamino-
|
645-92-1 |
4 | 85.140 |
| 44-786-1 |
4-Nonen-3-one, 1,1,2,2-tetrafluoro-5-mercapto-
|
|
4 | 158.370 |
| 44-815-8 |
6-Chloro-N,N'-(cyclopropyl)-[1,3,5]triazine-2,4-diamine
|
|
4 | 154.330 |
| 44-853-6 |
4,7-Methanobenzofuran, 2,2'-oxybis[octahydro-7,8,8-trimethyl-, [2«alpha»(2'R*,3'aS*,4'R*,7'R*,7'aS*),3a«alpha»,4«alpha»,7«alpha»,7a«alpha»]-
|
|
4 | 301.470 |
| 44-903-0 |
Urea, 1-(2-chloroethyl)-3-tricyclo[2.2.1.0^2^,^6]hept-3-yl-
|
33298-50-9 |
4 | 152.950 |
| 44-918-4 |
2-Butanol, 4-dimethylamino-3-methyl-1,2-diphenyl-, propionate
|
77-50-9 |
4 | 290.740 |
| 45-215-3 |
6-Chloro-2-methyl-7-sulfamyl-3,4-dihydro-1,2,4-benzothiadiazine-1,1-dioxide
|
90606-97-6 |
4 | 187.320 |
| 45-542-0 |
Cyclopropanecarboxylic acid, 3-(3-methoxy-2-methyl-3-oxo-1-propenyl)-2,2-dimethyl-, 2-methyl-4-oxo-3-(2-pentenyl)-2-cyclopenten-1-yl ester, [1R-[1«alpha»[S*(Z)],3«beta»(E)]]-
|
1172-63-0 |
4 | 302.670 |
| 45-639-3 |
1,3,5-Dithiazine, perhydro-6-butyl-2,4-dimethyl
|
|
4 | 169.490 |
| 45-864-3 |
2,4-Dimethyl-5,6-dithia-2,7-nonadienal, 5-oxide
|
|
4 | 169.210 |
| 46-137-9 |
Pyrrolo[1,2-a]pyrazine-1,4-dione, hexahydro-3-(2-methylpropyl)-
|
|
4 | 167.230 |
| 46-416-9 |
5«beta»-Androstan-3«alpha»-ol-11,17-dione, MO
|
|
4 | 292.280 |
| 46-726-5 |
Cyclohexanemalonic acid, 4,4-dimethyl-alpha-hydroxy-2-(1-hydroxyethyl)-,gamma,delta-dilactone
|
|
4 | 176.330 |
| 47-380-8 |
3-Buten-2-one, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl), PFBO # 1
|
|
4 | 269.840 |
| 47-657-1 |
3,5-Pyrazolidinedione, 4-butyl-1-(4-hydroxyphenyl)-2-phenyl-
|
|
4 | 249.160 |
| 47-807-4 |
Cholest-8-en-3-ol, 14-methyl-, (3.beta.,5.alpha.)-
|
|
4 | 363.510 |
| 48-027-9 |
Benzamide, 2,5-dichloro-n-cyanomethyl-n-ethyl-3-nitro-
|
|
4 | 196.920 |
| 48-043-1 |
O,O-Dimethyl O-(2,4,5-trichloro)phenyl phosphate
|
3983-45-7 |
4 | 180.480 |
| 48-051-2 |
Spiro[8,8-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2,2'-cyclohexanone-1]
|
|
4 | 215.080 |
| 48-387-0 |
7-isopropyl-1,5,7-triazabicyclo[4.4.0]dec-5-ene (ITBD)
|
|
4 | 155.680 |
| 48-545-4 |
Carbamic acid, dimethyl-, 2-(formylmethylamino)-5,6-dimethyl-4-pyrimidinyl ester
|
27218-04-8 |
4 | 191.020 |
| 48-699-4 |
Furan-2(3h)-one, 5- (bromomethyl)-4,5-dihydro-3-(o-hydroxyphenyl)-3-phenyl-
|
94574-85-3 |
4 | 222.820 |
| 48-744-3 |
2-Methoxy-4,6-bis(2-fluoro-2,2-dinitroethoxy)-1,3,5-triazine
|
|
4 | 220.590 |
| 48-768-7 |
1,2-DIHYDRO-4-METHOXYMETHYL-6-METHYL-2-OXO-3-PYRIDINECARBONITRILE
|
|
4 | 137.010 |
| 49-242-9 |
5-Amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfinyl)pyrazole-3-carbonitrile
|
|
4 | 225.360 |
| 49-527-3 |
3,7-Diphenyl-5-(p-dimethylaminophenyl)-1,2(4H)-diazepine
|
|
4 | 298.010 |
| 49-780-2 |
2,3A-ethanoindan, 3a,4,5,6-tetrahydro-1,1,4,4-tetramethyl-
|
17015-38-2 |
4 | 185.330 |
| 49-927-9 |
3,3,7,11-TETRAMETHYLTRICYCLO[5.4.0.0(4,11)]UNDECAN-1-OL
|
|
4 | 195.500 |
| 50-109-5 |
2H-1-Benzopyran-2-one, 4-hydroxy-3-(1,2,3,4-tetrahydro-1-naphthalenyl)-
|
5836-29-3 |
4 | 218.340 |
| 51-050-9 |
7, 7-Dimethoxy-1, 4, 5, 6-tetrachlorobicyclo [2. 2. 1]-5-heptene-2-carboxylic acid
|
124715-79-3 |
4 | 193.880 |
| 51-399-3 |
Nonanedioic acid, bis(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl) ester
|
100996-43-8 |
4 | 374.470 |
| 51-567-6 |
1,2,4a,6a,6b,9-Hexamethyl-1,2,3,4,4 a,5,6,6a,6b,7,8,12b,13,14b-tetradecahydro-picene
|
|
4 | 333.880 |
| 52-095-9 |
4H-Pyrido[1,2-a]pyrimidin-4-one, 3,6-dimethyl-
|
|
4 | 134.370 |
| 52-267-8 |
Trichothec-9-ene-3,4,8,15-tetrol, 12,13-epoxy-, 15-acetate 8-(3-methylbutanoate), (3«alpha»,4«beta»,8«alpha»)-
|
|
4 | 311.460 |
| 53-503-4 |
Methyl 17A-hydroxy-3-oxoandrost-4-ene-17B-carboxylate, 3-MO
|
|
4 | 297.960 |
| 54-704-0 |
2-Cyclopenten-1-one, 2-(2-butenyl)-4-hydroxy-3-methyl-, (Z)-
|
|
4 | 139.740 |
| 54-822-9 |
2,6-Difluoro-3-methylbenzoic acid, 3,4-dichlorophenyl ester
|
|
4 | 196.060 |
| 54-943-5 |
O-methyl,o-(2,4,5,-trichlorophenyl)-tert-butyl phosphoramidothioate
|
16805-76-8 |
4 | 237.340 |
| 55-107-2 |
1H-Inden-4,7-diol, 2,4,5,6,7,7a-hexahydro-2,7-dimethyl-5-methylene-6-cyclopropano-4a,2-oxamethyleno
|
|
4 | 192.080 |
| 55-165-8 |
Cyclohexane, 1-methyl-4-(1-methylethyl)-1,2-bis-(methylthio)
|
|
4 | 201.780 |
| 55-885-9 |
Glutaric acid, 2-methylhex-3-yl 3-nitro-4-methoxybenzyl ester
|
|
4 | 307.070 |
| 56-352-9 |
21H,23H-Porphine-2,7,12,17-tetrapropanoic acid, 3,8,13,18-tetramethyl-, tetramethyl ester
|
25767-20-8 |
4 | 542.540 |
| 56-449-2 |
1,3-Di(p-nitrobenzyl)-5-amyl-5-ethylbarbituric acid
|
116465-41-9 |
4 | 364.240 |
| 56-689-6 |
Bicyclo[2.2.1]hept-5-en-2-ol, 2-ethenyl-, (exo)-
|
|
4 | 113.220 |
| 56-707-5 |
3-Cyano-5-(cyanofurazanyl)-1,2,4-oxadiazole N-oxide
|
|
4 | 116.770 |
| 56-753-4 |
7,14-Methano-4H,6H-dipyrido[1,2-a:1',2'-e][1,5]diazocin-4-one, dodecahydro-, [7S-(7«alpha»,7a«alpha»,14«alpha»,14a«alpha»)]-
|
486-87-3 |
4 | 200.300 |
| 57-025-1 |
L-Ethionine, N(O,S)-ethoxycarbonyl, (S)-(+)-3-methyl-2-butyl ester
|
|
4 | 249.330 |
| 57-095-4 |
3H-Cyclopenta[a]pentalen-3-one-1,2,3a,5,6,6a,7,7a-octahydro-3a,5,5-trimethyl-(3a.«alpha»,6a.«beta»,7a.«alpha»)
|
|
4 | 172.810 |
| 57-129-6 |
2H-1,3,5-Thiadiazine-2-thione, tetrahydro-3,5-dimethyl-
|
|
4 | 118.810 |
| 57-449-1 |
2,4,6-Tris(2-fluoro-2,2-dinitroethoxy)-1,3,5-triazine
|
28820-59-9 |
4 | 271.290 |
| 58-070-0 |
Bicyclo[2.4.0]octan-2-one, 3,3-dimethyl-5-oxa-
|
|
4 | 123.390 |
| 58-182-6 |
2-Thiopheneacetic acid, 2-methyloct-5-yn-4-yl ester
|
|
4 | 217.940 |
| 58-327-5 |
(1,4,5,6,7,7-Hexachlorobicyclo[2.2.1]hept-5-en-2-yl)methanol
|
|
4 | 176.870 |
| 58-411-1 |
Acetamide, N-[2-[3,4-bis(acetyloxy)phenyl]-2-hydroxyethyl]-N-methyl-
|
55712-68-0 |
4 | 230.750 |
| 59-004-2 |
2-Butanone, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl), PFBO # 1
|
|
4 | 274.140 |
| 59-016-9 |
3,3-Dimethyl-5-0xa bicyclo[2.4.0]octan-2-ol
|
|
4 | 127.690 |
| 59-197-9 |
2,7-Dimethylbenzo-[1,2-d,5,4-d]bisoxazole
|
|
4 | 129.380 |
| 59-250-9 |
6,6,12,12-Tetramethyl-1,4,8,11-tetroxadispiro-[4.1.4.1]dodecane
|
|
4 | 170.840 |
| 59-414-7 |
1-Benzoxepin-5-carboxylic acid,2,3,4,5-tetrahydro-3-hydroxy-5-phenyl-,gamma-lactone
|
94540-95-1 |
4 | 194.460 |
| 59-692-9 |
2H-Imidazo[4,5-b]pyridin-2-one, 1,3-dihydro-
|
|
4 | 92.290 |
| 59-731-5 |
Isonipecotic acid, N-(2,4,5-trifluoro-3-methoxybenzoyl)-, ethyl ester
|
|
4 | 231.850 |
| 59-846-8 |
3H-Pyrazol-3-one, 2,4-dihydro-2-methyl-5-phenyl-
|
41927-50-8 |
4 | 134.370 |
| 59-946-7 |
1,3,5-Cyclohexanetriol, 2,2,4,4,6,6-hexamethyl-
|
|
4 | 186.690 |
| 60-247-1 |
2,6-Pyridinedicarboxylic acid, 4-bromo-2-methoxybenzyl ethyl ester
|
|
4 | 251.100 |
| 60-509-0 |
2-Thiopheneacetic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester
|
|
4 | 241.820 |
| 60-846-6 |
9H-purine, 6-chloro-9-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-
|
39824-26-5 |
4 | 209.030 |
| 60-850-1 |
Phosphorothioic acid, O,O-diethyl O-(p-methylsulfonyl)phenyl ester
|
14255-72-2 |
4 | 224.600 |
| 60-914-0 |
7-ethyl-1,5,7-triazabicyclo[4.4.0]dec-5-ene (ETBD)
|
|
4 | 141.590 |
| 61-252-4 |
2-Butanone, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl), PFBO # 2
|
|
4 | 274.140 |
|
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