We carried out autonomous reaction network explorations with ethene and ozone as well as tetramethylethene and ozone using the SCINE Chemoton module. An introduction to the terminology, the principles of CRN construction, and the characterization of CRNs is provided in Section S1 of the Supporting Information. Briefly, CRN explorations generate four datasets. (i) A structure is a single identity defined by a set of atoms distributed in the three-dimensional space with a determined spin and charge. (ii) A compound is a group of structures with same number of atoms, charge and spin but different electronic energies. (iii)