RetroBioCat database files

Database files for RetroBioCat.

Update - edited column names of trial_activity_data.xlsx to work with change in github version.

building_blocks.db is an sqlite3 database containing a table with a single column, for smiles strings of buyable compounds. The data in this file has been extracted from publically available databases of buyable building blocks. Specifically, the free emolecules database (https://downloads.emolecules.com/), the 'in-stock' building blocks available in the zinc database (http://files.docking.org/bb/) and the building blocks available from molport (https://www.molport.com). smiles strings have been processed into the version returned by rdkit using the default settings.  Use source_mols.db if using retrobiocat v2.0