[
  {
    "molid": "mol9600",
    "smiles": "O=C[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C[C-](O)[C@@H](O)[C@H](O)[C@H](O)CO",
        "std_free_energy": -2.71590518951416,
        "relative_population": 0.9995342373763566
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "O=C[C-](O)[C@@H](O)[C@H](O)[C@H]([O-])CO",
        "std_free_energy": 6.628220081329346,
        "relative_population": 0.21818916183176285
      },
      {
        "id": "-2_5",
        "charge": -2,
        "smiles": "O=C[C-](O)[C@@H](O)[C@H]([O-])[C@H](O)CO",
        "std_free_energy": 7.419857501983643,
        "relative_population": 0.09886200419265534
      },
      {
        "id": "-2_12",
        "charge": -2,
        "smiles": "O=C[C-]([O-])[C@@H](O)[C@H](O)[C@H](O)CO",
        "std_free_energy": 6.255800724029541,
        "relative_population": 0.3166451539318117
      },
      {
        "id": "-2_13",
        "charge": -2,
        "smiles": "O=C[C-](O)[C@@H](O)[C@H](O)[C@H](O)C[O-]",
        "std_free_energy": 7.74338960647583,
        "relative_population": 0.0715354317724015
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 12.45,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 12.08,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 11.81,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]