FIGURE 1 |.
The collection of substructures used to define the PFASSTRUCTv3 list. Atoms replacing hydrogen (denoted by the red “A”) are all potential sites of substitution. The trifluoromethanesulfonic acid substructure (contained in the box) was included in PFASSTRUCTv3 but excluded in the subsequent PFASSTRUCTv4 iteration.