smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H](O[P@@](=O)([O-])O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000002584030 557734063 /nfs/dbraw/zinc/73/40/63/557734063.db2.gz OKIKUSCYAJQLRR-DIFFPNOSSA-N -2 2 421.342 2.476 10 0 HEAELL C[C@@H](O[P@](=O)([O-])O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000002584030 557734065 /nfs/dbraw/zinc/73/40/65/557734065.db2.gz OKIKUSCYAJQLRR-DIFFPNOSSA-N -2 2 421.342 2.476 10 0 HEAELL