smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CNS(=O)(=O)[N-]NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000005722979 181276885 /nfs/dbraw/zinc/27/68/85/181276885.db2.gz UHHZTHNHQGGOQT-UHFFFAOYSA-N -1 3 310.313 -1.158 1 5 DABFHM