smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC[C@H](O)C(=O)[O-])c1 ZINC000833737932 605025582 /nfs/dbraw/zinc/02/55/82/605025582.db2.gz OKXAFZQSDJAULA-VIFPVBQESA-N -2 3 318.307 -1.061 20 10 DACDHL