smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCC(C(=O)[O-])(C(=O)[O-])C1CCCCCC1 ZINC000001562280 567837939 /nfs/dbraw/zinc/83/79/39/567837939.db2.gz PHEVRRFIUPKION-UHFFFAOYSA-N -2 1 284.396 4.083 40 0 CIABML