[
  {
    "molid": "mol9337",
    "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": -2.923205852508545,
        "relative_population": 0.9996384841038
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "O=C[C-]([O-])[C@H](O)[C@@H](O)CO",
        "std_free_energy": 4.267268180847168,
        "relative_population": 0.7626617334275264
      },
      {
        "id": "-2_4",
        "charge": -2,
        "smiles": "O=C[C-](O)[C@H](O)[C@@H]([O-])CO",
        "std_free_energy": 6.975348472595215,
        "relative_population": 0.05084258565257893
      },
      {
        "id": "-2_5",
        "charge": -2,
        "smiles": "O=C[C-](O)[C@H](O)[C@@H](O)C[O-]",
        "std_free_energy": 6.181751251220703,
        "relative_population": 0.11243008086727317
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 12.11,
        "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"
      }
    ]
  }
]