The propargylamides only include nine different structures shown in Figure . When considering all of them, the R 2 coefficients are 0.64 and 0.67 for the warhead-associated electrophilicity index and calculated MAAs, respectively. Excluding the red entries in Figure , viewed as outliers in the work of Hermann et al. , results in a significantly better R 2 coefficient of 0.89 for the warhead-associated electrophilicity index. Yet, the MAAs for these structures align well with the other entries. On the other hand, the blue entry is relatively far from the black regression line. This entry corresponds to a structure with bulky groups on both sides of the triple bond, and the transition vector could be pointing toward the neighboring SP-hybridized carbon atom. Unfortunately, the transition state structures are not available. Instead, we can calculate the MAA for this neighboring carbon atom resulting in a strong correlation with an R 2 coefficient of 0.85. This approach is only possible for the atom-specific MAAs as the warhead-associated electrophilicity index uses FMOs primarily localized on both SP-hybridized carbon atoms.