We used AiZynthFinder to generate artificial alternative routes for each target molecule. The maximum number of output routes was set to 70, ensuring that up to the top 70 ranked routes were generated and selected by AiZynthFinder for each molecule. The full dataset consists of 1718004 routes, for 47303 different molecules. For the AiZynthFinder experiments, we used expansion and filter models trained on data from the US Patent and Trademark Office , and a stock of eMolecule downloaded in January 2023. On average, each target molecule has about 36 routes. Figure shows the distribution of the number of routes for each molecule. From the figure, it can be seen that the most common number of routes per molecule is 70, While only 5 % of all molecules have 5 or fewer routes associated with them. 1XPEHURIURXWHVZLWKLQDPROHFXOH &RXQW Fig. : Distribution of the number of routes for each molecule. We set the maximum number of output routes as 70 for each molecule during generation.