smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(NCCCN3CCOCC3)c([N+](=O)[O-])c2)cc(C(=O)[O-])c1 ZINC000013610576 553477801 /nfs/dbraw/zinc/47/78/01/553477801.db2.gz NKLFADDSQYYDKV-UHFFFAOYSA-N -3 3 508.509 1.926 50 5 KDBAHL O=C(COC(=O)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1[O-])N1CCN(C(=O)c2ccco2)CC1 ZINC000102931616 555159175 /nfs/dbraw/zinc/15/91/75/555159175.db2.gz BEYMHUBDEKUPKZ-UHFFFAOYSA-N -2 3 558.525 1.836 50 5 KDBAHL