[
  {
    "molid": "mol31161",
    "smiles": "O=CC(O)C(O)C(O)CO",
    "microspecies": [
      {
        "id": "-1_4",
        "charge": -1,
        "smiles": "O=C[C-](O)[C@@H](O)[C@H](O)CO",
        "std_free_energy": -2.9232420921325684,
        "relative_population": 0.9996371045245916
      },
      {
        "id": "-2_5",
        "charge": -2,
        "smiles": "O=C[C-](O)[C@@H](O)[C@H]([O-])CO",
        "std_free_energy": 6.210494518280029,
        "relative_population": 0.10131689408193252
      },
      {
        "id": "-2_6",
        "charge": -2,
        "smiles": "O=C[C-]([O-])[C@@H](O)[C@H](O)CO",
        "std_free_energy": 4.170834541320801,
        "relative_population": 0.7789237405765611
      },
      {
        "id": "-2_10",
        "charge": -2,
        "smiles": "O=C[C-](O)[C@@H](O)[C@H](O)C[O-]",
        "std_free_energy": 6.667599678039551,
        "relative_population": 0.06414511960885887
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 12.2,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]