The predictive validity of the generated FR network was evaluated by checking if compounds detected in references and 49 could be explained by this workflow. To do so, the molecules detected were rendered into sdf format. These reported species (henceforth referred to as the "test set") were then imported into our workflow using RDKit and matched against the compounds generated in our workflow by performing isomorphism tests using the VF2 algorithm in MØD . Molecules are isomorphic if all the atoms in one molecule are bonded in exactly the same fashion as another, despite their initial arbitrary labeling. We did not represent aromaticity explicitly in our reaction rules, aromatic compounds would need to be identified from their Kekulé forms. Since there are multiple Kekulé representations for a single aromatic species, compounds in the test set were kekulized to a canonical representation using RDKit before comparison.