[
  {
    "molid": "mol11254",
    "smiles": "CC(=O)C1CC(CC(=O)O)C1(C)C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(=O)[C@H]1C[C@@H](CC(=O)O)C1(C)C",
        "std_free_energy": -4.050566673278809,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(=O)[C@H]1C[C@@H](CC(=O)[O-])C1(C)C",
        "std_free_energy": -8.315303802490234,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.82,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 4.8200002,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]