[
  {
    "molid": "mol34007",
    "smiles": "O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C(=O)O",
        "std_free_energy": -2.716451406478882,
        "relative_population": 1.0
      },
      {
        "id": "-1_4",
        "charge": -1,
        "smiles": "O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C(=O)[O-]",
        "std_free_energy": -9.546809196472168,
        "relative_population": 0.9979938890814551
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.1800000667572,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 3.20000004768372,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]