[
  {
    "molid": "mol809",
    "smiles": "CC[C@@](CC(=O)O)(C(=O)OC)c1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC[C@@](CC(=O)O)(C(=O)OC)c1ccccc1",
        "std_free_energy": -4.336453437805176,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC[C@@](CC(=O)[O-])(C(=O)OC)c1ccccc1",
        "std_free_energy": -8.946144104003906,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.46,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Hunt"
      }
    ]
  }
]