Table 1. Dataset Examples: i.e., Free Energy Barrier (in kcal/mol) of N₂ Release (without BCl₃, Pathways C and O), ΔG^‡_C – ΔG^‡_O, Relative Stability of the B–O Adduct (in kcal/mol), NPA Charge on Backbone Carbons, and HOMO Energy Level (in eV) for Each Diazo Substrate.