[
  {
    "molid": "mol9598",
    "smiles": "O=C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO",
    "microspecies": [
      {
        "id": "-1_6",
        "charge": -1,
        "smiles": "O=C[C-](O)[C@@H](O)[C@@H](O)[C@H](O)CO",
        "std_free_energy": -2.4493956565856934,
        "relative_population": 0.9993345493860715
      },
      {
        "id": "-2_7",
        "charge": -2,
        "smiles": "O=C[C-]([O-])[C@@H](O)[C@@H](O)[C@H](O)CO",
        "std_free_energy": 5.246662616729736,
        "relative_population": 0.5145141919979173
      },
      {
        "id": "-2_9",
        "charge": -2,
        "smiles": "O=C[C-](O)[C@@H](O)[C@@H]([O-])[C@H](O)CO",
        "std_free_energy": 6.253057479858398,
        "relative_population": 0.1880726408728762
      },
      {
        "id": "-2_11",
        "charge": -2,
        "smiles": "O=C[C-](O)[C@@H](O)[C@@H](O)[C@H](O)C[O-]",
        "std_free_energy": 7.190449237823486,
        "relative_population": 0.0736582768800738
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 12.82,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 12.35,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 12.48,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]