[
  {
    "molid": "mol817",
    "smiles": "CC[C@@](CC(=O)O)(C(=O)OC)c1ccc([N+](=O)[O-])cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC[C@@](CC(=O)O)(C(=O)OC)c1ccc([N+](=O)[O-])cc1",
        "std_free_energy": -3.971344470977783,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC[C@@](CC(=O)[O-])(C(=O)OC)c1ccc([N+](=O)[O-])cc1",
        "std_free_energy": -9.24928092956543,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.29,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Hunt"
      }
    ]
  }
]