smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Nc1nc(N)c(Cc2ccc([N+](=O)[O-])cc2)c[nH+]1 ZINC000013726673 343634999 /nfs/dbraw/zinc/63/49/99/343634999.db2.gz AIZLSGCCJQCUJL-UHFFFAOYSA-N 1 1 245.242 1.140 30 5 BDBCMO