• A subset of the USPTO database with reactions that can be used to train a one-step model • ~150K routes extracted from the USPTO database, which can be used for machine learning tasks • set-n1 consisting of a diverse set of 10,000 routes which show a similar distribution in the number of molecules and reactions as the 150K routes • set-n5 consisting of a diverse set of 10,000 routes that are longer and enriched in convergent routes • stock-n1 consisting of the 13,633 leaves molecules in set-n1 and should be used as a stock together with set-n1 • stock-n5 consisting of the 13,783 leaves molecules in set-n5 and should be used as a stock together with set-n5