smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(C(=O)Nc2ccccc2C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000009968695 557144147 /nfs/dbraw/zinc/14/41/47/557144147.db2.gz ZSNGZQISZHGIMY-UHFFFAOYSA-N -2 1 428.441 3.885 10 0 IHAEML