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sortAndUniquifyToTry previously built a parallel vector of (index, string) pairs, sorted by string, erased duplicates, then rebuilt the original vector — O(N log N) with one heap allocation per candidate product. Replace with an erase-remove over a boost::unordered_flat_set<size_t> keyed on buildProductHash (boost::hash_combine over synthon IDs + reaction ID). Dedup is now O(N) average with no string allocations on the hot path. Also switch SearchResults::d_molNames from std::unordered_set<std::string> to boost::unordered_flat_set<std::string> for the same open-addressing cache locality benefit during mergeResults. Perf (42-rxn / 140B-product Freedom space, maxHits=3000, hitStart=1000, 9 queries; vanilla.log → 2unordered_flat_set.log): Benzene: 6.92s → 5.64s (−19%) Tolueneish: 6.19s → 5.07s (−18%) Acetaminophen: 4.50s → 3.63s (−19%) Allopurinol: 4.41s → 3.94s (−11%) Theophylline: 4.39s → 3.90s (−11%) Nicotine: 4.87s → 3.97s (−18%) Ciprofloxacin: 6.82s → 6.09s (−11%) Aspirin: 4.51s → 3.42s (−24%) Metoprolol: 5.11s → 4.07s (−20%) Total: 48.40s → 40.33s (−17%) Hit counts and MaxNumResults unchanged across all queries. Co-authored-by: Claude Sonnet 4.6 <noreply@anthropic.com>