[
  {
    "molid": "mol37590",
    "smiles": "CO[C@H](C(=O)O)[C@H](OC)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CO[C@H](C(=O)O)[C@H](OC)C(=O)O",
        "std_free_energy": -0.39458566904067993,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CO[C@H](C(=O)[O-])[C@H](OC)C(=O)O",
        "std_free_energy": -8.866466522216797,
        "relative_population": 0.9996901341032649
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.75999999046326,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]