smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1nc2c3ccccc3c3ccccc3c2c[n-]1 ZINC000498049228 226330149 /nfs/dbraw/zinc/33/01/49/226330149.db2.gz CIVBGLMVZGQCJN-UHFFFAOYSA-N -1 3 246.269 3.642 10 5 BHBEHM