[
  {
    "molid": "mol22476",
    "smiles": "CC1c2cccc(O)c2C(=O)C1CC(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@H]1c2cccc(O)c2C(=O)[C@H]1CC(=O)O",
        "std_free_energy": -3.867189407348633,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C[C@H]1c2cccc(O)c2C(=O)[C@H]1CC(=O)[O-]",
        "std_free_energy": -8.211402893066406,
        "relative_population": 0.9988710346664965
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "C[C@H]1c2cccc([O-])c2C(=O)[C@H]1CC(=O)[O-]",
        "std_free_energy": -1.2781100273132324,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.5,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 9.6,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]