smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])N1CC(N=NC2=NC(=O)C(=O)[N-]2)C1 ZINC000834288681 606008263 /nfs/dbraw/zinc/00/82/63/606008263.db2.gz HWZGOXSPKQJEFM-UHFFFAOYSA-N -2 1 225.164 -2.062 20 30 BAEDML