smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc([N+](=O)[O-])cc(/C=C/C=O)c1O ZINC000216763998 178269631 /nfs/dbraw/zinc/26/96/31/178269631.db2.gz QFBUBFLKUHYCNP-NSCUHMNNSA-N 0 1 207.185 1.821 40 50 BDGBMN