[
  {
    "molid": "mol37897",
    "smiles": "CC(Nc1ccc([N+](=O)[O-])cc1)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@@H](Nc1ccc([N+](=O)[O-])cc1)C(=O)O",
        "std_free_energy": -4.966510772705078,
        "relative_population": 0.9914312172652825
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C[C@@H](Nc1ccc([N+](=O)[O-])cc1)C(=O)[O-]",
        "std_free_energy": -10.83753490447998,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.53999996185303,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]