Applying the above-described method to the PCQM4Mv2 dataset , we generated a dataset of ground truth explanations for the HOMO-LUMO gap molecular property. This publicly available dataset on Figshare 71 contains two csv files, one for atomwise and one for bondwise attributions. Table summarizes the format of both csv files: each record of the explanation (a row of the csv) has five columns corresponding to the molecule index, the operation index (which of the four chemical operations was applied), the index of the atom or bond where the chemical operation was applied, the paired molecule index, and explanation values. The unit of the explanation values depends on the investigated chemical property; for the HOMO-LUMO gap, the unit is electronvolt (eV). Table legend: Format of the csv files containing the ground truth explanation values.