[
  {
    "molid": "mol9336",
    "smiles": "O=C[C@@H](O)[C@H](O)[C@H](O)CO",
    "microspecies": [
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C[C-](O)[C@H](O)[C@H](O)CO",
        "std_free_energy": -3.0727005004882812,
        "relative_population": 0.9996765908764422
      },
      {
        "id": "-2_4",
        "charge": -2,
        "smiles": "O=C[C-](O)[C@H](O)[C@H](O)C[O-]",
        "std_free_energy": 6.4370598793029785,
        "relative_population": 0.06626159788784383
      },
      {
        "id": "-2_8",
        "charge": -2,
        "smiles": "O=C[C-]([O-])[C@H](O)[C@H](O)CO",
        "std_free_energy": 3.89375376701355,
        "relative_population": 0.8429575697505516
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 12.79,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 12.34,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 12.54,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]