| ID | Name | CAS | Properties |
McVol (ml/mol) |
| 57-618-3 |
5-«beta»-Pregnan-3,11-dione, MO
|
|
3 | 314.590 |
| 57-955-9 |
Bis(4-tert-butylphenyl) 4-cyclohexylphenyl phosphate
|
|
3 | 423.540 |
| 58-244-7 |
Methanimine, 1-(1-piperidinyl), N-(4-bromophenyl)
|
|
3 | 178.480 |
| 58-448-1 |
1,3,4,8,9-pentabromo-dibenzofuran
|
|
3 | 214.930 |
| 58-891-9 |
Isonipecotic acid, N-(4-nitrobenzoyl)-, nonyl ester
|
|
3 | 322.630 |
| 58-912-5 |
Poligodial + Phe (methyl ester) adduct, (S)
|
|
3 | 311.290 |
| 59-147-4 |
Nomifensine M(HO), diacetylated, isomer # 1
|
|
3 | 263.250 |
| 59-168-1 |
2,3,4,7,8-pentabromo-dibenzofuran
|
|
3 | 214.930 |
| 59-187-0 |
N,N-Dimethyl-N'-(4-methylphenyl)-pivalamidine
|
|
3 | 200.020 |
| 59-252-7 |
N,N-Dimethyl-N'-(3-bromophenyl)-propionamidine
|
|
3 | 175.250 |
| 59-327-4 |
4'-hydroxy-1-(3-trifluoromethylphenyl)piperazine, diTFA
|
|
3 | 232.490 |
| 59-391-3 |
1,2,4,6,8-pentabromo-dibenzofuran
|
|
3 | 214.930 |
| 59-574-0 |
Isonipecotic acid, N-(3-methylbutyryl)-, isohexyl ester
|
|
3 | 258.520 |
| 59-598-4 |
N,N-Dimethyl-N'-decyl-p-chlorobenzamidine
|
|
3 | 282.710 |
| 59-955-7 |
N,N-Dimethyl-N'-pentyl-p-chlorobenzamidine
|
|
3 | 212.260 |
| 60-096-9 |
Isonipecotic acid, N-(4-fluorobenzoyl)-, isobutyl ester
|
|
3 | 236.530 |
| 60-120-1 |
5-ethyl-2-isobutyl-4-methyl-thiazole
|
|
3 | 158.630 |
| 60-320-9 |
5-«beta»-Pregnan-11,20-dione, MO
|
|
3 | 314.590 |
| 60-412-7 |
Isonipecotic acid, N-(2-furoyl)-, isohexyl ester
|
|
3 | 244.930 |
| 60-851-0 |
4H-1,2,4-Triazole, 4-methyl-
|
|
3 | 63.610 |
| 60-944-7 |
1,2,4,6,9-pentabromo-dibenzofuran
|
|
3 | 214.930 |
| 61-623-2 |
Trandolapril desethyl - H2O Me (Trandolaprilate - H2O Me)
|
|
3 | 309.130 |
| 61-665-6 |
Methanimine, 1-(4-morpholino), N-(4-chlorophenyl)
|
|
3 | 165.000 |
| 62-005-7 |
5-ethyl-2-heptyl-4-methyl-thiazole
|
|
3 | 200.900 |
| 62-200-0 |
1-Propenylamine, 2-methyl-N-(2-methylpropylidene)
|
|
3 | 124.960 |
| 62-213-6 |
1-(1-Methoxycarbonylcyclohexyl)-2-butoxydiazen-1-oxide
|
|
3 | 203.920 |
| 62-713-1 |
Dibenzofuran, 1,2,3,7,8-pentabromo
|
|
3 | 214.930 |
| 62-813-0 |
1,2,3,4,8-pentabromo-dibenzofuran
|
|
3 | 214.930 |
| 62-905-8 |
N,N-Dimethyl-N'-cyclohexyl-p-chlorobenzamidine
|
|
3 | 215.490 |
| 63-212-6 |
Isonipecotic acid, N-(3-methylbenzoyl)-, isobutyl ester
|
|
3 | 248.850 |
| 63-551-0 |
4-ethyl-5-methyl-2-pentyl-thiazole
|
|
3 | 172.720 |
| 64-255-8 |
Glutarimide, N-(3,5-di(trifluoromethyl)benzyl)-
|
|
3 | 197.240 |
| 64-302-5 |
1-[(1H-Benzotriazol-L-yl)methyl]pyridinium
|
|
3 | 159.330 |
| 64-366-5 |
DL-2-fluorophenylglycine, N-dimethylaminomethylene-, ethyl ester
|
|
3 | 195.140 |
| 64-651-8 |
2(1H)-Pyrimidinethione, tetrahydro-1,3-dimethyl-
|
16597-35-6 |
3 | 116.550 |
| 65-794-9 |
1-Acetyl-4,5-dihydro-1H-pyrazole
|
|
3 | 87.680 |
| 65-874-0 |
2-Oxazolidinone, 3-(2-hydroxypropyl)-5-methyl-
|
3375-84-6 |
3 | 121.920 |
| 65-946-0 |
N,N-Dimethyl-N'-butyl-p-chlorobenzamidine
|
|
3 | 198.170 |
| 66-175-5 |
Isonipecotic acid, N-(3-methylbenzoyl)-, isohexyl ester
|
|
3 | 277.030 |
| 66-204-2 |
D-(+)-Xylose, tetrakis(trifluoroacetate), methyloxime (syn)
|
|
3 | 270.670 |
| 66-534-6 |
1,2,4,7,9-pentabromo-dibenzofuran
|
|
3 | 214.930 |
| 66-784-9 |
1,2-Naphthalenedione, 1-[(4-acetylphenyl)hydrazone]
|
|
3 | 220.600 |
| 66-929-8 |
2-Pyrrolidinone, 1-(1-(4-methylbenzoyl)ethyl)
|
|
3 | 186.620 |
| 66-952-2 |
3-Mercapto-2-pentanone, PFBO # 2
|
|
3 | 192.930 |
| 66-956-8 |
Isonipecotic acid, N-(2-furoyl)-, dodecyl ester
|
|
3 | 329.470 |
| 67-759-6 |
1H-Pyrazole-4-carboxaldehyde, 1,5-dimethyl-
|
25711-30-2 |
3 | 97.470 |
| 68-187-0 |
Perindopril desethyl - H2) Me (Perindoprilate - H2O Me)
|
|
3 | 262.440 |
| 68-987-2 |
N,N-Dimethyl-N'-benzyl-p-chlorobenzamidine
|
|
3 | 216.680 |
| 69-042-9 |
Isonipecotic acid, N-(4-methylbenzoyl)-, isobutyl ester
|
|
3 | 248.850 |
| 69-170-7 |
3(4)-methylpyrrolo(1,2-a)pyrazine
|
|
3 | 104.620 |
| 69-461-4 |
4-ethyl-2-isobutyl-5-methyl-thiazole
|
|
3 | 158.630 |
| 70-330-7 |
D-(+)-Galactose, pentakis(trifluoroacetate), methyloxime (anti)
|
|
3 | 325.690 |
| 70-332-5 |
D-(+)-Mannose, pentakis(trifluoroacetate), methyloxime (anti)
|
|
3 | 325.690 |
| 70-342-4 |
D-(+)-Glucose, pentakis(trifluoroacetate), methyloxime (anti)
|
|
3 | 325.690 |
| 70-429-8 |
Phosphorodithioic acid, O,O,S-trimethyl ester
|
2953-29-9 |
3 | 118.030 |
| 70-625-0 |
D-(+)-Xylose, tetrakis(trifluoroacetate), methyloxime (anti)
|
|
3 | 270.670 |
| 70-854-6 |
L-(-)-Fucose, tetrakis(trifluoroacetate), benzyloxime (isomer 2)
|
|
3 | 345.540 |
| 72-353-0 |
Benz[a]indeno[2,1-c]naphthalene
|
193-27-1 |
3 | 232.260 |
| 73-986-7 |
Dibenzo[a,e]cyclooctene,5,6-didehydro-
|
|
3 | 165.020 |
| 74-434-8 |
Benzamide, 2,5-di(trifluoromethyl)-N-ethyl-
|
|
3 | 164.260 |
| 75-788-5 |
Cyclopent[i]indeno[5,6-a]anthracene
|
222-88-8 |
3 | 232.260 |
| 76-294-2 |
2-(1-Methylethenyl)-5-(1-methylethyl)pyrazine
|
|
3 | 143.660 |
| 76-757-8 |
Aziridinone, 1,3-bis(1,1-dimethylethyl)-
|
14387-89-4 |
3 | 152.450 |
| 77-636-1 |
2-(P-nonylphenoxy)-6-(5-nonyl) pyrazine
|
|
3 | 383.690 |
| 80-150-6 |
1-Methoxy-2,2,3-trimethylaziridine (sin)
|
|
3 | 100.390 |
| 80-795-1 |
1H-1,2,4-Triazole, 3-propyl-
|
|
3 | 91.790 |
| 81-099-3 |
2-Pyrazoline, 5-ethyl-1,4-dimethyl-
|
14339-23-2 |
3 | 114.290 |
| 81-224-3 |
3,5-Diamino-1,2,4-triazole
|
1455-77-2 |
3 | 69.480 |
| 81-329-7 |
5-formyl-2,3-dihydro-1H-pyrrolizine
|
|
3 | 104.810 |
| 81-356-7 |
2-furyl-4-methyl-1,3-dioxolane
|
|
3 | 110.870 |
| 81-936-3 |
1-Cyclopropanecarboxamide, 2-phenyl-N-2-ethylhexyl-
|
|
3 | 241.410 |
| 82-249-5 |
Ergoline, 8,9-didehydro-6,8-dimethyl-
|
|
3 | 191.320 |
| 83-028-9 |
L-Proline, N-(3-cyclopentylpropionyl)-, butyl ester
|
|
3 | 247.660 |
| 83-035-1 |
L-Proline, N-(3-cyclopentylpropionyl)-, isobutyl ester
|
|
3 | 247.660 |
| 83-129-7 |
2-Ethyl-6-(1-methylpropyl)phenyl isothiocyanate
|
|
3 | 188.000 |
| 83-493-3 |
Cyclohexanol, 2-(9h-purin-9-yl)-, trans-
|
100057-61-2 |
3 | 161.860 |
| 83-638-2 |
1-Aminocyclopentanecarboxylic acid, N-(allyloxycarbonyl)-, pentyl ester
|
|
3 | 231.910 |
| 84-060-2 |
L-Proline, N-(furoyl-2)-, tetradecyl ester
|
|
3 | 343.560 |
| 84-635-4 |
L-Proline, N-(furoyl-2)-, undecyl ester
|
|
3 | 301.290 |
| 84-922-5 |
Benzamide, 2,5-di(trifluoromethyl)-N-hexyl-
|
|
3 | 220.620 |
| 85-273-5 |
1,2,4,7,8-pentabromo-dibenzofuran
|
|
3 | 214.930 |
| 85-274-4 |
2,3,4,7,9-pentabromo-dibenzofuran
|
|
3 | 214.930 |
| 85-276-2 |
2,3,4,6,8-pentabromo-dibenzofuran
|
|
3 | 214.930 |
| 85-392-3 |
N-acetyl-4-Iodo-2,5-dimethoxyphenethylamine
|
|
3 | 205.290 |
| 86-074-5 |
3-sec-Butyl-2-methoxy-5-methylpyrazine
|
|
3 | 153.830 |
| 89-860-9 |
Benzamide, 3-chloro-2-fluoro-N-heptyl-
|
|
3 | 209.920 |
| 89-881-6 |
Cyclopenta[c]pyran-4-ylmethyl 3-methylbutanoate
|
|
3 | 182.510 |
| 91-152-2 |
Pentanal, 2,4,6-trichlorophenyl hydrazone, #2
|
|
3 | 194.470 |
| 91-154-0 |
Pentanal, 2,4,6-trichlorophenyl hydrazone, #1
|
|
3 | 194.470 |
| 91-231-4 |
l-Leucine, N-(3-cyclopentylpropionyl)-, methyl ester
|
|
3 | 230.340 |
| 91-238-7 |
1-Aminocyclopentanecarboxylic acid, N-(isobutoxycarbonyl)-, butyl ester
|
|
3 | 236.210 |
| 91-242-2 |
Glycine, 2-cyclohexyl-N-propoxycarbonyl-, propyl ester
|
|
3 | 236.210 |
| 91-426-8 |
Benzamide, 3-trifluoromethyl-2-fluoro-N-octadecyl-
|
|
3 | 372.070 |
| 92-173-8 |
1-(5-methyl-2-furanyl)-2-butanone
|
|
3 | 125.650 |
| 92-191-8 |
2-(5-methyl-2-furyl)-1-pyroline
|
|
3 | 118.900 |
| 92-628-3 |
Benzamide, 3-chloro-2-fluoro-N-nonyl-
|
|
3 | 238.100 |
| 93-235-8 |
1-Aminocyclopentanecarboxylic acid, N-(neopentyloxycarbonyl)-, pentyl ester
|
|
3 | 264.390 |
| 93-236-7 |
Glycine, 2-cyclohexyl-N-isobutoxycarbonyl-, butyl ester
|
|
3 | 264.390 |
| 93-332-0 |
4-(N-heptylsulfonylmethyl)-4-thiazoline-2-thione
|
91356-11-5 |
3 | 217.160 |
| 93-337-5 |
N-[2-Amino-4-(trifluoromethyl)phenyl]morpholin
|
|
3 | 162.370 |
|
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