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[N+](=O)[O-])nc2[n-]nc(N=Nc3n[n-]c4nc(=N[N+](=O)[O-])nc(N)n34)n21 ZINC000408722010 557771380 /nfs/dbraw/zinc/77/13/80/557771380.db2.gz OENDUBVKMQYUDL-FMQUCBEESA-N -2 0 418.258 -2.200 40 10 HACBRL