[
  {
    "molid": "mol11393",
    "smiles": "CCc1cc([N+](=O)[O-])cc(CC)c1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCc1cc([N+](=O)[O-])cc(CC)c1O",
        "std_free_energy": -5.229743003845215,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCc1cc([N+](=O)[O-])cc(CC)c1[O-]",
        "std_free_energy": -2.4733340740203857,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.73,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 7.73000001907349,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]