| COMPOUND NAME | RB | E (1QQG) | E (2AYR) | E(7B | E (6T41) | E (3GRF) | E (7B5O) |
| <5 | <−5 | ||||||
| Bergaptol | 0 | −7.9 | −8.4 | −8.7 | −8.9 | −8.8 | −8.6 |
| Bergapten | 1 | −7.6 | −8 | −8.9 | −9.1 | −8.9 | −8.1 |
| Isobergaptol | 0 | −8.2 | −8.6 | −8.7 | −8.6 | −8.6 | −8.6 |
| Abscisic acid | 3 | −7.9 | −7.7 | −8.9 | −8.6 | −7.9 | −7.9 |
| (-)-Abscisic acid | 3 | −8 | −7.5 | −8.9 | −8.6 | −8.5 | −7.9 |
| (+)-8’-Hydroxyabscisic acid | 4 | −7.4 | −7.3 | −8.5 | −8 | −8.1 | −8 |
| (+)-abscisic acid beta-D-glucopyranosyl ester | 6 | −9.6 | −9.2 | −9.7 | −9.4 | −8.9 | −9.5 |
| 10-Hydroxycamptothecin | 1 | −11.1 | −11.4 | −12.4 | −12.9 | −10.4 | −11.4 |
| 4-hydroxycoumarin | 0 | −7.5 | −7.4 | −8.1 | −7.5 | −7.9 | −7.4 |
| Alpha-beta-Dihydroresveratrol | 3 | −8.2 | −7.8 | −9.4 | −9.2 | −8.4 | −9 |
| Casticin | 5 | −9 | −8.4 | −8.8 | −8.7 | −8 | −9.1 |
| Scopoletin | 1 | −7 | −7.3 | −8.2 | −7.9 | −7.8 | −7.5 |
| Methylarbutin | 4 | −7.8 | −8 | −8.4 | −8.2 | −7.7 | −8.5 |
| 3’’,5’’-Dihydroxyflavanone | 1 | −9.5 | −9.3 | −10.3 | −10.4 | −9.4 | −9.9 |
| (2S)-2’,7-Dimethoxy-3’,5-dihydroxyflavanone | 3 | −8.9 | −8.9 | −9.8 | −9.9 | −8.9 | −9.3 |
| Lupanine | 0 | −8.8 | −9 | −10.1 | −10.1 | −8.4 | −9.8 |
| Flavanone | 1 | −9.4 | −9.3 | −10.4 | −10.3 | −10 | −10.2 |
| 5-Sulfosalicylate | 2 | −7.2 | −7.5 | −7.4 | −7.3 | −6.7 | −7.3 |
| Glabranin | 3 | −9.1 | −9.6 | −10.8 | −10.6 | −9.6 | −10.5 |
| Niridazole | 2 | −6.6 | −7 | −6.7 | −6.9 | −6.8 | −6.5 |
| Citrinin | 1 | −8.3 | −8.9 | −9.1 | −9.4 | −9.8 | −8.9 |
| Aspartame | 9 | −7.5 | −7.1 | −7.8 | −8.1 | −7.6 | −7.5 |
| cis-3-(3-Carboxyethenyl)-3,5- cyclohexadiene-1,2-diol | 2 | −5.3 | −5.3 | −6.3 | −5.8 | −5.5 | −5.6 |
| Glabridin | 1 | −10.2 | −11.1 | −10.8 | −12.3 | −11 | −10.7 |
| Mycocyclosin | 0 | −11.1 | −11.8 | −12.7 | −12.8 | −12.3 | −12.1 |
| 2,3-Dehydro-UWM6 | 0 | −10.3 | −10.5 | −11.6 | −11.9 | −10.7 | −11.6 |
| Prazepam | 3 | −9.4 | −9.9 | −10.5 | −10.5 | −9.3 | −10.3 |
| (-)-Phaseollinisoflavan | 1 | −10.1 | −11 | −10.3 | −12.4 | −12.1 | −10.6 |
| Phaseollidin | 2 | −9.6 | −10.1 | −10.8 | −10.8 | −10 | −10.4 |
| Diethyl pyrocarbonate | 6 | −4.9 | −5 | −4.6 | −5 | −5.1 | −5.1 |
| Eugenol quinone methide | 2 | −6.2 | −6.6 | −7.3 | −6.9 | −7.1 | −6.7 |
| Methyl cinnamate | 3 | −6.6 | −6.4 | −7 | −6.9 | −7 | −6.8 |
| p-Methoxycinnamaldehyde | 3 | −6.4 | −6.1 | −6.9 | −6.7 | −6.8 | −6.7 |
| Dibenzo[1,4]dioxin-2,3-dione | 0 | −9.4 | −9.2 | −10.6 | −9.7 | −10.7 | −9.4 |
| 3,5-Dinitroguaiacol | 3 | −6.2 | −7 | −7.1 | −6.7 | −6.8 | −6.9 |
| 2-(5’’-Methylthio)pentylmalic acid | 9 | −5.7 | −5.7 | −6 | −5.9 | −6 | −5.4 |
| 3-(5’’-Methylthio)pentylmalic acid | 9 | −4.9 | −5.4 | −6.6 | −5.9 | −6.3 | −6.3 |
| 3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile | 3 | −8.2 | −8.2 | −7.6 | −7.6 | −8.2 | −7.7 |
| Glycophymoline | 3 | −8.8 | −9.5 | −10.5 | −10.5 | −10.1 | −10.4 |
| Flindersiachromone | 3 | −9.2 | −9.4 | −11 | −10.5 | −10.1 | −10.5 |
| Arborine | 2 | −9.2 | −9.3 | −10.8 | −10 | −9.7 | −10.2 |
| Methaqualone | 1 | −8.8 | −9.6 | −10.5 | −10.3 | −10.2 | −9.9 |
| Triamiphos | 4 | −7.5 | −7.9 | −8.1 | −7.8 | −7.6 | −7.8 |
| 2-[3-Ethyl-5-(4-methoxyphenyl)-1H- pyrazol-4-yl]phenol | 4 | −8.4 | −9 | −8.5 | −9.1 | −9 | −8.5 |
| (2-Butylbenzofuran-3-yl)(4- hydroxyphenyl)ketone | 5 | −8 | −7.1 | −8.1 | −8 | −8.3 | −8.3 |
| Tutin | 1 | −8.6 | −8.9 | −9.1 | −9.5 | −8.6 | −9 |
| 3-Methoxy-4-hydroxyphenylglycolaldehyde | 3 | −6.1 | −6.7 | −6.7 | −6.5 | −6.7 | −6.5 |
| (R)-3-(4-Hydroxyphenyl)lactate | 3 | −6.8 | −6.9 | −7.3 | −7.4 | −6.9 | −7 |
| 2’’,6’’-Dihydroxy-4’’-methoxyacetophenone | 2 | −6.3 | −6.5 | −6.3 | −6.8 | −6.9 | −6.8 |
| 3-(4-Hydroxyphenyl)lactate | 3 | −6.6 | −7 | −7.3 | −7.4 | −7.2 | −7 |
| Homovanillate | 3 | −6.2 | −7.1 | −7.1 | −6.9 | −7.1 | −6.8 |