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(Nc1ccc(O)c([N+](=O)[O-])c1)c1cccc(O)c1O ZINC000754674238 575057107 /nfs/dbraw/zinc/05/71/07/575057107.db2.gz DTAOBFUOARYERS-UHFFFAOYSA-N -2 2 290.231 1.964 10 10 CDCELL