smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])CN1C(=O)N/C(=C/c2cccc([N+](=O)[O-])c2O)C1=O ZINC000408593495 304066959 /nfs/dbraw/zinc/06/69/59/304066959.db2.gz QAVOPLHFBPOVAS-QPJJXVBHSA-N -1 2 307.218 0.278 40 5 DCBBLM O=C([O-])CN1C(=O)N/C(=C/c2cc([N+](=O)[O-])ccc2O)C1=O ZINC000408592402 239273867 /nfs/dbraw/zinc/27/38/67/239273867.db2.gz MIONBZWURXPIHC-XBXARRHUSA-N -1 2 307.218 0.278 40 5 DCBBLM Nc1nc(-c2cccc(S(=O)(=O)[O-])c2)c([N+](=O)[O-])c(=O)[nH]1 ZINC000005479335 181247858 /nfs/dbraw/zinc/24/78/58/181247858.db2.gz ITLIGYCKLAMYLL-UHFFFAOYSA-N -1 2 312.263 0.586 40 5 DCBBLM O=C([O-])CN1C(=O)N/C(=C/c2ccc(O)c([N+](=O)[O-])c2)C1=O ZINC000408593296 239273715 /nfs/dbraw/zinc/27/37/15/239273715.db2.gz MHDBLOXFKCLERY-XVNBXDOJSA-N -1 2 307.218 0.278 40 5 DCBBLM