smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1cccc(S(=O)(=O)[O-])c1 ZINC000113259109 524652912 /nfs/dbraw/zinc/65/29/12/524652912.db2.gz BLOPPJSZVKBTSR-UHFFFAOYSA-N -1 2 358.353 1.642 10 5 FDBELM