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| compd | GScore | H bond | vdW | Coul | Emodel | CvdW | Intern |
|---|---|---|---|---|---|---|---|
| BPTPE | –11.96 | –1.5 | –44.7 | –5.9 | –85.4 | –50.6 | 2.1 |
| 3OHTPE | –12.76 | –2.2 | –37 | –14.7 | –86.4 | –51.7 | 2.9 |
| ZFRMethoxy | –12.76 | –1.5 | –48.2 | –4.8 | –89.4 | –53 | 3.6 |
| ZFREthoxy | –12.35 | –1.3 | –39.5 | –9.9 | –90.7 | –49.4 | 3 |
| EFRMethoxy | –10.8 | –1 | –37.1 | –2.4 | –67.6 | –39.5 | 0 |
| EFREthoxy | –10.41 | –0.7 | –30.1 | 0.7 | –44.2 | –29.4 | 6.9 |
