[
  {
    "molid": "mol815",
    "smiles": "CC[C@@](CC(=O)OC)(Cc1ccc([N+](=O)[O-])cc1)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC[C@@](CC(=O)OC)(Cc1ccc([N+](=O)[O-])cc1)C(=O)O",
        "std_free_energy": -4.815668106079102,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC[C@@](CC(=O)OC)(Cc1ccc([N+](=O)[O-])cc1)C(=O)[O-]",
        "std_free_energy": -8.429729461669922,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.7,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Hunt"
      }
    ]
  }
]