| 4 | 13-Docosenamide, (Z)- | −7.38 | −4.42 |
| 5 | Flavone 4’-OH-di-O-glucoside | −7.22 | −9.28 |
| 6 | 4-hydroxychroman | −7.07 | −7.21 |
| 7 | Caffeine | −7.00 | −6.09 |
| 8 | Buxandonine | −6.63 | −4.02 |
| 9 | 17.alfa.,21a-28,30-Bionorhopane | −6.62 | −5.48 |
| 10 | Pestalone | −6.46 | −9.28 |
| 11 | Vitamin E | −6.21 | −7.79 |
| 12 | 3,3,4-Trimethyl-1,3-dihydro-pyrrole-2-thione | −6.13 | −5.67 |
| 13 | Trans caryophyllene | −6.04 | −5.76 |
| 14 | Cyclohexanecarboxylic acid | −5.94 | −7.16 |
| 15 | 9,19-Cyclolanostan-3-ol,acetate | −5.41 | −4.83 |
| 16 | Iso-propyl phenyl ether | −5.24 | −6.54 |
| 17 | Geranyl-a-terpinene | −5.20 | −3.40 |
| 18 | Transgeranyl geraniol | −4.61 | −3.85 |
| 19 | 2,3-Dihydro -3,5-dihydro xy-6-methy l-4H-pyran-4-one | −4.47 | −6.33 |
| 20 | Epoxugedunin | −4.39 | − |
| 21 | Geranyl-a-terpinene | −4.35 | −3.40 |
| 22 | Desulphosinigrin | −4.29 | −6.79 |
| 23 | 1-Propanol-3dimethylamino | −4.19 | −2.48 |
| 24 | 1,2,3-Propanetriol | −2.45 | −1.68 |
| 25 | (cis)-2-nonadecene | −2.07 | 0.56 |
| 26 | Tetradecanoic acid | −0.86 | −2.02 |