[
  {
    "molid": "mol9266",
    "smiles": "O=c1cc(S(=O)(=O)O)[nH]c(=O)[nH]1",
    "microspecies": [
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=c1cc(S(=O)(=O)[O-])[nH]c(=O)[nH]1",
        "std_free_energy": -8.557455062866211,
        "relative_population": 0.9699491080079725
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "O=c1cc(S(=O)(=O)[O-])[nH]c(=O)[n-]1",
        "std_free_energy": -4.330932140350342,
        "relative_population": 0.1122759022416852
      },
      {
        "id": "-2_3",
        "charge": -2,
        "smiles": "O=c1cc(S(=O)(=O)[O-])[n-]c(=O)[nH]1",
        "std_free_energy": -6.39851188659668,
        "relative_population": 0.8876158084099426
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.26,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 7.2600002,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "OCHEM"
      }
    ]
  }
]