[
  {
    "molid": "mol32975",
    "smiles": "CCCC(C)(CC(=O)O)CC(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCC(C)(CC(=O)O)CC(=O)O",
        "std_free_energy": -2.8563919067382812,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCCC(C)(CC(=O)[O-])CC(=O)O",
        "std_free_energy": -8.31546401977539,
        "relative_population": 1.0
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "CCCC(C)(CC(=O)[O-])CC(=O)[O-]",
        "std_free_energy": -10.206764221191406,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.63000011444092,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 3.93,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "OCHEM"
      }
    ]
  }
]