| ID | Name | CAS | Properties |
McVol (ml/mol) |
| 83-410-4 |
3-Piperidinol, 1-acetyl-6-propyl-, (3R-trans)-
|
54751-92-7 |
2 | 158.320 |
| 83-475-3 |
9H-purine, 6-hydrazino-9-(2-hydroxycyclohexyl)-, cis-
|
|
2 | 181.820 |
| 84-654-3 |
2(3H)- benzofuranone, 3-phenyl-3-(2-piperidinoethyl)-,
|
|
2 | 254.930 |
| 85-970-1 |
N-[2-(3-methylpyrazyl)]-3-methyl-2-pyrazone
|
|
2 | 150.030 |
| 88-089-7 |
[1,2,3]Triazolo[1,5-a]pyrazine
|
|
2 | 82.310 |
| 89-892-4 |
Cyclobutanone, 2,2,4,4-tetramethyl-3-phenylimino-
|
|
2 | 180.750 |
| 89-905-9 |
9H-purine, 6-dimethylamino, 9-benzyl, 2-chloro-
|
|
2 | 207.580 |
| 91-254-9 |
7H-tetrazolo[5,1-i]purine, 7-benzyl-
|
|
2 | 171.960 |
| 92-317-8 |
As-triazine-5-carboxamidine, 6-amino-n-ethyl-
|
|
2 | 127.220 |
| 93-322-1 |
Cyclohexanol, 2-(9h-6-chloropurin-9-yl)-, trans
|
5463-96-7 |
2 | 174.100 |
| 93-706-5 |
2-(N-n-hexylamino)-3,6-dimethyl pyrazine
|
|
2 | 186.120 |
| 94-234-8 |
1-Pentanol, 2,2-dimethyl-5-(6-purinylamino)-
|
|
2 | 196.790 |
| 94-547-1 |
Phosphonothioic acid, ethyl-, O-ethyl S-phenyl ester
|
|
2 | 176.550 |
| 95-383-2 |
Hydantoin, 5-(1-ethyl-n-pentyl)-3-(trichloromethylthio)-
|
|
2 | 231.160 |
| 96-180-6 |
1,2-Propanediol, 3-(1-piperidinyl)-, bis(phenylcarbamate)
|
101-08-6 |
2 | 307.280 |
| 98-428-9 |
2-Pyrimidinecarbamonitrile, 4-amino-6-hydroxy- (keto form)
|
6112-71-6 |
2 | 104.720 |
| 98-516-1 |
Biuret, 1,5-bis(2-chloroethyl)-1-nitroso-
|
|
2 | 164.510 |
| 98-650-2 |
3-tert-Butyl-2-oxo-1,3-oxazolidine
|
40482-46-0 |
2 | 116.050 |
| 99-733-9 |
Imidazole-4-carboxamide, 1-benzyl-5-(n-benzylformamido)-
|
7178-28-1 |
2 | 254.650 |
| 99-781-6 |
2-Piperidinomethyl-8(ar)-methoxy-tetrahydro-1-acenaphthone
|
116296-21-0 |
2 | 239.650 |
| 112-955-7 |
1-Phenyl-3-acetoxy-4-methyl-2-pyrazoline
|
|
2 | 168.420 |
| 114-569-4 |
5-(3',4'-Carbonyldioxyphenyl)-3-isopropyl-2-oxazolidinone
|
|
2 | 179.280 |
| 114-738-6 |
Urea, 1-(2-chloroethyl)-3-mesityl-1-nitroso-
|
|
2 | 201.500 |
| 116-125-4 |
Nicotinamide, 1,6-dihydro-4-hydroxy-6-oxo-
|
|
2 | 104.910 |
| 117-829-2 |
1-Phenyl-2-acetyl-4-methyl-3-pyrazolidone
|
2655-48-3 |
2 | 168.420 |
| 118-020-8 |
(E)-2-Methyl-2-pentenal, PFBO # 1
|
|
2 | 186.370 |
| 118-212-5 |
4-AMINO-6-HYDROXY-2-METHYL-5-NITROSOPYRIMIDINE
|
|
2 | 104.910 |
| 118-456-5 |
2,3,3-Trichloro-n-(2-thiazole) acrylamide
|
|
2 | 146.240 |
| 118-467-3 |
1,2,4-Thiadiazole, 5-amino-3-(methylthio)-
|
6913-13-9 |
2 | 96.310 |
| 118-565-4 |
Ketone, 5-chloro-4-nitro-2-thienyl methyl
|
42456-75-7 |
2 | 123.520 |
| 118-665-3 |
Formamide, n-(4-amino-6-chloro-5-pyrimidinyl)-
|
|
2 | 111.280 |
| 119-150-3 |
ISOQUINOLINE 1,2,3,4-TETRAHYDRO-2-NITRO-
|
|
2 | 130.450 |
| 119-152-1 |
Urea, 1-(2-chloroethyl)-3-methyl-3-nitroso-
|
|
2 | 112.540 |
| 119-413-1 |
9H-purine, 6-aziridinyl-9-benzyl-2-chloro-
|
|
2 | 196.720 |
| 119-821-8 |
1,3,4-Thiadiazol-2-amine, 5-(methylthio)-
|
5319-77-7 |
2 | 96.310 |
| 120-343-7 |
1,3,4-Oxadiazole, 2-amino-5-(trifluoromethyl)-
|
768-29-6 |
2 | 74.790 |
| 120-733-4 |
4-Pyrimidinol, 6-hydrazino-5-nitro- (keto form)
|
3137-55-1 |
2 | 106.670 |
| 121-336-4 |
5-Methoxy-2(1-phenyl-5-mercaptotetrazole)-quinone
|
|
2 | 210.720 |
| 121-423-7 |
Imidazole-4-carboxamide, 5-amino-n-(2-hydroxyethyl)-
|
|
2 | 123.300 |
| 121-649-7 |
Formamide, n-(4-amino-2-chloro-5-pyrimidinyl)-
|
|
2 | 111.280 |
| 122-222-9 |
2-(2,2,4-Trimethylpentoxy)-3-methyl pyrazine
|
|
2 | 196.100 |
| 122-705-3 |
Isoquinoline, 1,2,3,4-tetrahydro-2-(trifluoroacetyl)-
|
|
2 | 148.090 |
| 124-059-9 |
2-Methyl-4-oxo-1,4a,9-triazafluorene
|
|
2 | 143.280 |
| 125-307-2 |
Phthalimide, n-[2-(2-oxo-3-oxazolidinyl)ethoxy]-
|
|
2 | 184.960 |
| 44-888-8 |
Ethane, 1,1,2-trichloro-1,2,2-trifluoro-
|
76-13-1 |
39 | 81.070 |
| 69-245-4 |
Ethane, 1,2-dichloro-1,1,2,2-tetrafluoro-
|
76-14-2 |
35 | 70.600 |
| 43-612-4 |
Ethane, 1,1,2,2-tetrachloro-1,2-difluoro-
|
76-12-0 |
29 | 91.540 |
| 32-407-4 |
2-Propanone, 1,1,1,3,3,3-hexafluoro-
|
684-16-2 |
28 | 65.320 |
| 10-007-2 |
Benzene, 1,3,5-trichloro-2,4,6-trifluoro-
|
319-88-0 |
25 | 113.670 |
| 29-254-8 |
ETHANE, 2-BROMO-2-CHLORO-1,1,1-TRIFLUORO-
|
151-67-7 |
23 | 74.090 |
| 43-087-8 |
Benzene, 1,3-bis(1,1-dimethylethyl)-5-methyl-
|
15181-11-0 |
23 | 198.450 |
| 63-984-0 |
Benzene, 1,1',1'',1'''-(1,2-ethenediylidene)tetrakis-
|
632-51-9 |
22 | 277.860 |
| 25-991-4 |
Benzene, 1,1',1'',1'''-(1,2-ethanediylidene)tetrakis-
|
632-50-8 |
21 | 282.160 |
| 45-366-6 |
1,1':4',1'':4'',1''':4''',1''''-Quinquephenyl
|
3073-05-0 |
21 | 314.760 |
| 54-436-8 |
Bicyclo[4.2.0]octa-1,3,5-triene
|
694-87-1 |
21 | 88.960 |
| 59-416-5 |
Nonane, 2,2,4,4,6,8,8-heptamethyl-
|
4390-04-9 |
21 | 236.300 |
| 19-569-0 |
Ethane, 1-bromo-2-chloro-1,1,2-trifluoro-
|
354-06-3 |
20 | 74.090 |
| 27-019-1 |
Ethane, 1,1-dichloro-1,2,2,2-tetrafluoro-
|
374-07-2 |
20 | 70.600 |
| 34-930-1 |
Dibenzo[b,e][1,4]dioxin, 2,3-dichloro-
|
|
20 | 157.780 |
| 37-440-2 |
Ethane, 1,1,1,2-tetrachloro-2,2-difluoro-
|
76-11-9 |
20 | 91.540 |
| 41-644-1 |
2,2,3,3,4,4,4-Heptafluoro-butanol
|
375-01-9 |
20 | 85.480 |
| 21-948-6 |
1-Propanamine, 2-methyl-N,N-bis(2-methylpropyl)-
|
1116-40-1 |
19 | 189.920 |
| 30-669-6 |
Benzene, 1,1'-(1-methyl-1,3-propanediyl)bis-
|
1520-44-1 |
19 | 188.780 |
| 62-593-5 |
Benzene, 1,1'-(2,2-dichloroethylidene)bis[4-ethyl-
|
72-56-0 |
19 | 241.440 |
| 70-070-6 |
Bicyclo[2.2.1]hept-2-ene, 5-ethenyl-
|
3048-64-4 |
19 | 107.350 |
| 78-424-5 |
Cyclohexane, 1,1'-(1-methyl-1,3-propanediyl)bis-
|
41851-35-8 |
19 | 214.580 |
| 123-858-3 |
1,3-Butanedione, 4,4,4-trifluoro-1-phenyl-
|
|
19 | 136.450 |
| 15-598-2 |
cis,trans-Bicyclo[4.4.0]decane, 3-ethyl
|
|
18 | 158.220 |
| 16-879-9 |
trans,trans-Bicyclo[4.4.0]decane, 3-methyl
|
|
18 | 144.130 |
| 20-538-2 |
cis,cis-Bicyclo[4.4.0]decane, 3-methyl
|
|
18 | 144.130 |
| 24-146-3 |
cis,trans-Bicyclo[4.4.0]decane, 2-methyl
|
|
18 | 144.130 |
| 24-634-1 |
Dibenzo[b,e][1,4]dioxin, 1,6-dichloro-
|
|
18 | 157.780 |
| 24-949-2 |
trans,cis-Bicyclo[4.4.0]decane, 2-methyl
|
|
18 | 144.130 |
| 26-531-3 |
trans,cis-Bicyclo[4.4.0]decane, 3-ethyl
|
|
18 | 158.220 |
| 28-766-1 |
trans,cis-Bicyclo[4.4.0]decane, 3-methyl
|
|
18 | 144.130 |
| 37-966-9 |
trans,trans-Bicyclo[4.4.0]decane, 3-ethyl
|
|
18 | 158.220 |
| 38-398-9 |
cis,trans-Bicyclo[4.4.0]decane, 3-methyl
|
|
18 | 144.130 |
| 38-762-4 |
1,2-Dibromo-1-chloro-1,2,2-trifluoroethane
|
354-51-8 |
18 | 91.590 |
| 40-614-5 |
cis,cis-Bicyclo[4.4.0]decane, 2-methyl
|
|
18 | 144.130 |
| 45-907-5 |
1,2-Benzenediol, 3,5-bis(1,1-dimethylethyl)-
|
1020-31-1 |
18 | 196.100 |
| 47-955-0 |
Benzene, 1,1',1'',1'''-(1,6-hexanediylidene)tetrakis-
|
2819-41-2 |
18 | 338.520 |
| 49-646-1 |
Benzene, 1,1'-(1-methyl-1,2-ethanediyl)bis-
|
5814-85-7 |
18 | 174.690 |
| 50-052-8 |
1-Butanamine, 3-methyl-N,N-bis(3-methylbutyl)-
|
645-41-0 |
18 | 232.190 |
| 55-966-9 |
cis,cis-Bicyclo[4.4.0]decane, 3-ethyl
|
|
18 | 158.220 |
| 59-212-1 |
trans,trans-Bicyclo[4.4.0]decane, 2-methyl
|
|
18 | 144.130 |
| 65-391-6 |
Benzene, 1,1'-(1,2-ethanediyl)bis[4-methyl-
|
538-39-6 |
18 | 188.780 |
| 74-075-7 |
Cyclohexane, 1,1'-(2-methyl-1,3-propanediyl)bis-
|
2883-08-1 |
18 | 214.580 |
| 74-343-9 |
Cyclohexane, 1,1'-(1-methyl-1,2-ethanediyl)bis-
|
41851-34-7 |
18 | 200.490 |
| 78-405-6 |
Benzene, 1,1'-(1,2-ethanediyl)bis[2-methyl-
|
952-80-7 |
18 | 188.780 |
| 85-195-2 |
1,1'-Biphenyl, 2,3,4,5,6-pentachloro-
|
18259-05-7 |
18 | 193.620 |
| 10-032-4 |
(7R,8S)-cis-7,8-epoxy-octadecane [(+)-monachalure]
|
|
17 | 259.490 |
| 10-282-7 |
[1,1'-Biphenyl]-2-ol, 3-(1,1-dimethylethyl)-
|
2416-98-0 |
17 | 194.650 |
| 11-623-7 |
Benzene, 1,5-dimethyl-2,4-bis(1-methylethyl)-
|
5186-68-5 |
17 | 184.360 |
| 12-306-8 |
1,4-Dioxane-2,5-dione, 3,6-dimethyl-
|
95-96-5 |
17 | 99.420 |
| 16-050-8 |
cis-7,10,13,16-Docosatetraenoic acid, methyl ester
|
|
17 | 325.170 |
| 21-060-1 |
2-[2-[2-(2-Hydroxyethoxy)ethoxy]ethoxy]ethyl acetate
|
|
17 | 182.680 |
| 21-896-4 |
Succinic acid, 2,4-dimethylpent-3-yl ethyl ester
|
|
17 | 208.910 |
| 22-674-9 |
1-methyl-trans-2-pentyl-cis-3-methyl-cyclopropane
|
|
17 | 140.900 |
| 24-228-2 |
E-Acetic acid 3-chloro-2-methyl-allyl ester
|
|
17 | 110.780 |
| 25-600-7 |
Cyclohexane, 1,1'-(2-propyl-1,3-propanediyl)bis-
|
|
17 | 242.760 |
|
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