The second data set that we used were the 19 F NMR chemical shifts of a combination of diverse fluorinated fragments available from Enamine. Enamine provides two separate plated sets of fluorinated fragments called: "FDS-1000" and "FFL-d6" containing 1000 and 1280 compounds, respectively (Version: 21 May 2021). Both sets have an overlap with the LEF5500, which was used to analyze how consistent the 19 F NMR chemical shifts were across data sets measured by two different institutions and two different protocols (See section Experimental Details).