[
  {
    "molid": "mol36635",
    "smiles": "COC(=O)c1cc([N+](=O)[O-])ccc1C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COC(=O)c1cc([N+](=O)[O-])ccc1C(=O)O",
        "std_free_energy": -1.5371705293655396,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COC(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-]",
        "std_free_energy": -11.14022445678711,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.35999989509583,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]