[
  {
    "molid": "mol9601",
    "smiles": "OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO",
        "std_free_energy": -7.5246429443359375,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-][C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO",
        "std_free_energy": 7.269001007080078,
        "relative_population": 0.4161068304793747
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "[O-][C@H](CO)[C@@H](O)[C@H](O)[C@H](O)CO",
        "std_free_energy": 7.752219200134277,
        "relative_population": 0.2566527074842206
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "[O-]C[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO",
        "std_free_energy": 7.509247779846191,
        "relative_population": 0.32724046203640467
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 13.29,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 13.5,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]