smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc2nc(C)cc(Nc3ccc([N+](=O)[O-])cc3)c2c1 ZINC000004894792 170037516 /nfs/dbraw/zinc/03/75/16/170037516.db2.gz UJKFQZSNQANFHU-UHFFFAOYSA-N 0 3 293.326 4.503 50 5 CJBAHN