smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCC(=O)O[P@@](=O)([O-])OC[C@H]1O[C@@H](n2cnc3c2nc[n-]c3=O)[C@H](O)[C@@H]1O ZINC000004097117 560194388 /nfs/dbraw/zinc/19/43/88/560194388.db2.gz OZEQQZFAGTZYSQ-FRJWGUMJSA-N -2 3 418.299 -0.801 10 0 in-vitro HBAEHL