[
  {
    "molid": "mol32972",
    "smiles": "CCC(CC(=O)O)C(=O)O",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC[C@H](CC(=O)[O-])C(=O)O",
        "std_free_energy": -8.255706787109375,
        "relative_population": 0.41110763686933355
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC[C@H](CC(=O)O)C(=O)[O-]",
        "std_free_energy": -8.615095138549805,
        "relative_population": 0.5888923631306665
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "CC[C@H](CC(=O)[O-])C(=O)[O-]",
        "std_free_energy": -10.858640670776367,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.38,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 4.80000019073486,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]