[
  {
    "molid": "mol22609",
    "smiles": "CC(C(=O)O)C(C(=O)O)c1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@@H](C(=O)O)[C@H](C(=O)O)c1ccccc1",
        "std_free_energy": -2.261794090270996,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C[C@@H](C(=O)[O-])[C@H](C(=O)O)c1ccccc1",
        "std_free_energy": -8.630016326904297,
        "relative_population": 0.3690148088758482
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "C[C@@H](C(=O)O)[C@H](C(=O)[O-])c1ccccc1",
        "std_free_energy": -9.166461944580078,
        "relative_population": 0.6309851911241517
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.53,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]