| Compound ID | EN300-1608992_1 | 
| ΔG / kcal M-1 | −10.7 ± 0.3 | 
| IC50 / µM | TBD | 
| pIC50 | TBD | 
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN463 | MAT-POS-b3e365b9-1_1 |  | EN300-1608992_1_1 |  | −2.4 ± 0.3 |   |   | ||||