[
  {
    "molid": "mol34776",
    "smiles": "CC(COCC(=O)O)(COCC(=O)O)COCC(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(COCC(=O)O)(COCC(=O)O)COCC(=O)O",
        "std_free_energy": -0.29388439655303955,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(COCC(=O)[O-])(COCC(=O)O)COCC(=O)O",
        "std_free_energy": -6.629601001739502,
        "relative_population": 0.9907046289230856
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.3600001335144,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]