To address this, we employed a Python script to extract the species' chemical names, along with their corresponding pK a values, solvent details, and publication references from the iBonD database. This information was then connected with images from iBonD indicating the molecules' dissociation sites (see Figure ). We assume here that the acidity sites identified by the iBonD curators are correct, and that the values curated (most of which are macroscopic constants) can be expressed as microscopic values (i.e. that the ionization centers of the acid are sufficiently distinct so that the experimentally-obtained pK a value can be unambiguously assigned to a specific tautomer ).