We selected common features to represent atoms and bonds, such as atomic weight, number, valence, bond type etc. The number of hydrogens was included in the atom features, so that they do not require to be explicitly transformed into the graph nodes. We calculated 8 atomic and 3 bond features for GCNNs, implemented in PyTorch Geometric Python library. For the Chempropbased model we utilized default molecule representations, which include 75 atom and 11 bond features.