[
  {
    "molid": "mol11838",
    "smiles": "O=C(O)c1cc(N=Nc2ccc([N+](=O)[O-])cc2)ccc1O",
    "microspecies": [
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "O=C([O-])c1cc(N=Nc2ccc([N+](=O)[O-])cc2)ccc1O",
        "std_free_energy": -12.20327377319336,
        "relative_population": 0.9997746786502083
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C([O-])c1cc(N=Nc2ccc([N+](=O)[O-])cc2)ccc1[O-]",
        "std_free_energy": -2.4198975563049316,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.91,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 11.1700000762939,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 10.8999996185303,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]