[
  {
    "molid": "mol33021",
    "smiles": "CC(O)C(=O)OC(C)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@H](OC(=O)[C@@H](C)O)C(=O)O",
        "std_free_energy": -2.82896089553833,
        "relative_population": 1.0
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "C[C@H](OC(=O)[C@@H](C)O)C(=O)[O-]",
        "std_free_energy": -10.609770774841309,
        "relative_population": 0.998382095120436
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.95,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 2.95000004768372,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]