smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N+](C)(C)CC(=O)N/N=C(/Cc1cc(=O)oc2cc([O-])ccc12)C(=O)Nc1ccc(Cl)cc1 ZINC000017214959 717112786 /nfs/dbraw/zinc/11/27/86/717112786.db2.gz DURDJQUMKKROLK-UHFFFAOYSA-O 0 1 471.921 2.512 40 50 JFGBMN