smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCOc1cc(CC(P(=O)([O-])O)[P@@](=O)([O-])O)c[n+](C)c1 ZINC000049881452 205129829 /nfs/dbraw/zinc/12/98/29/205129829.db2.gz GGWWUDKWRXFYLP-UHFFFAOYSA-O -1 2 396.337 2.084 1 30 GEEFLM CCCCCCCOc1cc(CC(P(=O)([O-])O)[P@](=O)([O-])O)c[n+](C)c1 ZINC000049881452 205129833 /nfs/dbraw/zinc/12/98/33/205129833.db2.gz GGWWUDKWRXFYLP-UHFFFAOYSA-O -1 2 396.337 2.084 1 30 GEEFLM