Skip to content

CURRENT CATALOGUE DATA

Take the chemistry with you.

Download our stock and virtual catalogues as SQLite databases (.db). Each file includes chemical structures as SMILES, molecular formulas, calculated properties and an English field guide.

IN STOCK

In-stock compounds

62,590 entries

Current available-stock catalogue. Quantities and documentation are confirmed with your quotation.

20.5 MB database · 3.9 MB transfer
The file is prepared automatically. No account required.

Alternative compressed download & checksum

Download compressed database (.db.gz)

Extract the .gz archive to obtain the .db file. SHA-256 of the extracted database:

0e7f4c7bd7ebada365a8d7c768866cd1aeb00930d484849475d2a3057ed33f68
SYNTHESIS REQUIRED

Virtual library

395,999 entries

Proposed compounds for synthesis enquiries. Not held in stock. Feasibility, specifications and lead times are agreed individually.

126.0 MB database · 21.2 MB transfer
The file is prepared automatically. No account required.

Alternative compressed download & checksum

Download compressed database (.db.gz)

Extract the .gz archive to obtain the .db file. SHA-256 of the extracted database:

532070aa3bc35588798b5f43ee144f8d03462099b665b052bb1330c913f7762f

How to use the files

Open the .db file in a SQLite-compatible application, such as DB Browser for SQLite. Start with the compounds table. The data_dictionary and catalogue_metadata tables explain fields, units and the snapshot. Supplier numbers are mapped in catalogue_aliases.

Use ordinary SQL for identifier, formula and property searches. For drawing, substructure or chemical similarity searches, use our website or import SMILES into your cheminformatics software. SQLite alone does not perform chemical structure matching.

Record counts are not unique-structure counts. Missing values are stored as NULL. Calculated properties are not assay results. Customer downloads exclude private stock quantities.