Table shows the order of the queries that we used and the related 590 discount factor. If a score is returned but no InChI, leaving us unable 591 to compute corresponding Tanimoto values, we set a default value 592 of t g,i = tg,s = 0.7. In the rare case that still no match was found 593 even with the lowest constraints, we set cg = t g,i = tg,s = 0. Note 594 that if GNPS I only improves the number of hits by less than 10%, we 595 recommend sticking to the strict GNPS query (using only q(6, 0.02) 596 instead of iterating), which we have applied in the Manufactured case 597 study as GNPS I brought only two supplementary hits.