smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCC(=O)C(=O)c1ccc(O)c(C)c1O ZINC000001561429 383905972 /nfs/dbraw/zinc/90/59/72/383905972.db2.gz SYNXDXRPOITMQJ-UHFFFAOYSA-N -2 1 236.267 2.348 40 10 BECBML