[
  {
    "molid": "mol34220",
    "smiles": "CCOC(=O)CCC(=O)CCC(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCOC(=O)CCC(=O)CCC(=O)O",
        "std_free_energy": -3.9207282066345215,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCOC(=O)CCC(=O)CCC(=O)[O-]",
        "std_free_energy": -8.656977653503418,
        "relative_population": 0.9999795216361841
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.57000017166138,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]