We compile a dataset of 732 experimental pK a values in DMSO from two different sources, Bordwell 7 and iBonD. The Bordwell dataset contains experimental C-H pK a values in DMSO from 419 molecules. For the iBonD database, we select experimental C-H pK a values in DMSO for 313 molecules. As the iBonD database only contains an image of each molecule, we employ the tool Deep Learning for Chemical Image Recognition software (DECIMER v. 2.0), developed by Rajan et al.. While DECIMER converts molecular images into SMILES, manual intervention is required to ensure the SMILES string correctly represents the molecule. Finally, to mirror the dataset by Roszak et al., we also incorporate 43 heterocycles without experimental pK a values from Shen et al., leaving us with a dataset of 775 compounds. This dataset will be used to calculate QM pK a values using our QM workflow described in the next section.