smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N=C(N)n1cc2cccc([N+](=O)[O-])c2n1 ZINC000003871238 181196925 /nfs/dbraw/zinc/19/69/25/181196925.db2.gz GFYAZUABYOOPCN-UHFFFAOYSA-N 0 3 205.177 0.686 1 5 in-vivo BCBFHN