[
  {
    "molid": "mol23403",
    "smiles": "O=C(O)C(=O)c1ccccc1C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)C(=O)c1ccccc1C(=O)O",
        "std_free_energy": 0.6152231097221375,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C(O)C(=O)c1ccccc1C(=O)[O-]",
        "std_free_energy": -8.059646606445312,
        "relative_population": 0.14366713937333955
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C([O-])C(=O)c1ccccc1C(=O)O",
        "std_free_energy": -9.844806671142578,
        "relative_population": 0.8563328606266605
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.49,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]