smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1[nH+]c(C(C)C)ccc1CSCCCC(C)(C)C#N ZINC000419498513 329732289 /nfs/dbraw/zinc/73/22/89/329732289.db2.gz ZJWQMYNKLNRWPQ-UHFFFAOYSA-N 1 2 290.476 5.077 20 30 CKEDLO