All ITC results were collected in duplicate, with fresh solutions for each run, on a Microcal ITC200. Solutions were made up in 25 mM phosphate buffer (sodium counterion, no potassium), at pH 6.8. Experiments were run at 27℃ and used 16 injections of 2.42 µL each. In all cases, the host was in the cell and the guest in the syringe. The concentrations were adjusted for each complex to provide values of C in the preferred range of 5 to 12 . Here C =Kd/Ccell, where Kd is the host-guest dissociation constant and Ccell is the concentration of the cell reactant, here the host. Compound purities were taken into account when calculating the concentrations. The commercially sourced rimantadine and methylcyclohexanol have reported purities of 95% and 98%, respectively, and the host molecules all have purities of ≥ 95%. β-CD has a reported 8 hydration water molecules, and we assumed the same for the derivatives. The stoichiometry, N, was treated as a floating parameter during curve fitting. Experimental uncertainties were computed by Monte Carlo resampling, accounting for estimated concentration and heat uncertainties . The ITC data were analyzed with code written within the Gilson group, which is publicly available at (commit ID e9eabb0). The reported values of binding free energy, binding enthalpy, binding entropy, and their respective uncertainties, are averages of the values obtained for the duplicates. The free energy, enthalpy and entropy results from the duplicates consistently fall within the reported uncertainty ranges. The only exception is MGLab 34 with rimantidine, for which the duplicates yielded less consistent results. In this case, the reported uncertainty is half the deviation between the two values.