HTS chemical catalogue — October 2026

These .db files use SQLite, an open database format. Open them with DB Browser for SQLite or another SQLite-compatible tool. Use the compounds table; all column names and guidance are in English. The data_dictionary table explains fields and units. The catalogue_metadata table records the snapshot, record count and methodology.

Stock download: available stock entries, including the Excel supplement dated 5 October 2026. Virtual download: proposed compounds that require synthesis. Counts are catalogue records, not unique molecular structures. Some compounds may occur in both catalogues. Quantities, specifications, documentation, prices and lead times are confirmed by email.

Example SQL (stock):
SELECT compound_id, molecular_formula, molecular_weight_g_mol, canonical_smiles
FROM compounds WHERE molecular_weight_g_mol BETWEEN 200 AND 400 LIMIT 100;

Find a supplier number:
SELECT * FROM catalogue_aliases WHERE supplier_catalogue_number = 'S433-0612';

SQLite does not provide substructure or similarity matching by itself. For these searches, use the HTS website or import canonical_smiles into a compatible cheminformatics tool. Formula and property searches work with ordinary SQL. NULL denotes missing data, never zero. Calculated descriptors are not biological activity or experimental assay results.

The customer databases contain no private stock quantities or browser/customer information. The separately supplied INTERNAL file is for HTS only and must not be hosted publicly. It contains all stock records (including unavailable entries), the virtual library and original private quantities. Source column D from the Excel supplement is preserved without assigning a unit.

Enquiries: m.ivkin@hts-biochemie.de