[
  {
    "molid": "mol1791",
    "smiles": "O=C(O)c1c(O)cccc1[N+](=O)[O-]",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)c1c(O)cccc1[N+](=O)[O-]",
        "std_free_energy": -1.754687786102295,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C([O-])c1c(O)cccc1[N+](=O)[O-]",
        "std_free_energy": -12.133173942565918,
        "relative_population": 0.9998715466096764
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.24,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 2.24000000953674,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]