smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1[nH]nc(CNc2nc3ccccn3c(=O)c2[N+](=O)[O-])[nH]1 ZINC000301556759 382356871 /nfs/dbraw/zinc/35/68/71/382356871.db2.gz IUNUZQUDMFMHHG-UHFFFAOYSA-N 0 2 303.238 -0.374 10 5 DBBELN