Figure shows the performance of the four tested force fields across the eleven compounds as the fraction of NOE distances for which the violation is greater than 0.05 nm. While some compounds are well described by all force fields (e.g., lorlatinib and roxythromycin), others show larger differences. For some compounds, all force fields produce significant deviations (e.g., NLeu5S). Overall, OpenFF 2 generates ensembles with the lowest number of NOE violations. With this force field, we do not find a single violation above 0.05 nm for compounds BC1, BC2, E2-enant lorlatinib, and roxithromycin (although the latter two are reproduced by all four force fields).