We are interested in calibrating both singlet (S 1 ) and triplet (T 1 ) excited state energies output by xTB-sTDA, but PCQC does not include triplet excitations. Calculating triplet excitations for 3.5M molecules independently would be prohibitively expensive, so it was necessary to determine which molecules in PCQC would be relevant to spectral conversion applications and therefore have interesting excited state properties. To extract such molecules from PCQC, a literature scraping workflow was developed. We used the SCO-PUS API 48 to obtain abstracts of articles tagged with "triplettriplet annihilation" or "singlet fission" keywords. Then, we used ChemDataExtractor to extract molecule names from the abstracts. We then used the PubChem API 50 to convert molecule names into PubChem CIDs and conduct a 2D Tanimoto-coefficient based similarity search among Pub-Chem molecules to expand the molecular space of interest. We then cross-referenced the identified molecules against PCQC to get the singlet energies, and triplet energies were independently generated with TD-DFT using equivalent set-tings to PCQC. Overall, this process allowed us to select 10k molecules of interest from PCQC, named SCOP-PCQC (after SCOPus-PCQC). To balance the 10k molecules in SCOP-PCQC, a 10k subset of QM-symex was randomly selected and named QM-symex-10k.