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(NCCc1nc([O-])cc(=O)[n-]1)c1ccccc1Oc1ccccc1 ZINC000218214963 526459845 /nfs/dbraw/zinc/45/98/45/526459845.db2.gz FHZHZHSWMNAEGA-UHFFFAOYSA-N -2 3 351.362 2.653 50 70 FFIAHL