[
  {
    "molid": "mol34504",
    "smiles": "COc1ccc(C(/N=N\\O)C(F)(F)F)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1ccc([C@@H](/N=N\\O)C(F)(F)F)cc1",
        "std_free_energy": -5.554059982299805,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COc1ccc([C@@H](/N=N\\[O-])C(F)(F)F)cc1",
        "std_free_energy": -2.3573977947235107,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.84999990463257,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]