and Hungarian pairing algorithms described in Section 3.0.1. These results are available for all submissions on the SAMPL6 GitHub repository However, here, we have chosen to focus on analysis of directly measured microscopic predictions rather than microscopic predictions with presumed correspondence to macroscopic measurements. While many macroscopic transitions are likely dominated by a single microscopic transition, including those in section 3.1.1, we cannot know for sure that this is true for every molecule in this set. These results are highly dependent on the particular matching algorithm and no rigorous analysis of the microscopic pK a predictions would be possible. Without evidence of which transition is dominant, this pairing does not provide constructive feedback for improving our model, thus we have chosen not to share those results here.