Furthermore, the MITE entry for McjB also specifies a validated reaction pair: as substrate, the full McjA leader peptide; as product, the intermediate linear core peptide. Additional reactants (ATP, water) were omitted for simplicity, and therefore, the "isBalanced" flag of the "validated_reactions" data field is set to False. To validate the reaction SMARTS, RDKit was used to computationally convert the precursor peptide to the expected linear intermediate (Figure and the code snippet under ).