After scoring the entirety of Enamine REAL, we requested a quote for the top 10,000 ranked compounds. We then pruned the list to 5,620 compounds based on availability of starting materials and delivery constraints. We clustered the training set compounds, the 1,024 AMS compounds, and the 5,620 Enamine REAL compounds using Taylor-Butina with a 0.4 distance cutoff. We used these clusters to select a final list for purchase, seeking compounds that were predicted to be highly active, were chemically diverse, and were chemically dissimilar from known active compounds in the training set and AMS set.