smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCCN3CCOCC3)cc2)cc1 ZINC000218408235 568480048 /nfs/dbraw/zinc/48/00/48/568480048.db2.gz CUVNKMQTZIUHTE-UHFFFAOYSA-N -1 1 417.531 2.248 40 70 HEIBMM