[
  {
    "molid": "mol34373",
    "smiles": "COc1cc(/N=N/c2ccc([N+](=O)[O-])cc2)ccc1O",
    "microspecies": [
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "COc1cc(/N=N/c2ccc([N+](=O)[O-])cc2)ccc1O",
        "std_free_energy": -5.576948642730713,
        "relative_population": 0.9999996314668597
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COc1cc(/N=N/c2ccc([N+](=O)[O-])cc2)ccc1[O-]",
        "std_free_energy": -2.5325231552124023,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.69000005722046,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]