smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)Nc1ccc(O)c(OS(=O)(=O)[O-])c1 ZINC000218290393 368312698 /nfs/dbraw/zinc/31/26/98/368312698.db2.gz NDPMYWVQKBUNEL-UHFFFAOYSA-N -1 0 247.228 0.532 10 70 BCIERM