smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCC[n+]1ccc(CC(O)(P(=O)([O-])O)[P@@](=O)([O-])O)cc1 ZINC000043307893 205084016 /nfs/dbraw/zinc/08/40/16/205084016.db2.gz FVKPSVPJCRPCEA-UHFFFAOYSA-O -1 2 382.310 1.489 10 30 GDEELM CCCCCCC[n+]1ccc(CC(O)(P(=O)([O-])O)[P@](=O)([O-])O)cc1 ZINC000043307893 205084021 /nfs/dbraw/zinc/08/40/21/205084021.db2.gz FVKPSVPJCRPCEA-UHFFFAOYSA-O -1 2 382.310 1.489 10 30 GDEELM