[
  {
    "molid": "mol10128",
    "smiles": "O=c1ccc(S(=O)(=O)O)ccc1O",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=c1ccc(S(=O)(=O)[O-])ccc1O",
        "std_free_energy": -6.3932271003723145,
        "relative_population": 0.994396922091208
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=c1ccc(S(=O)(=O)[O-])ccc1[O-]",
        "std_free_energy": -4.551682472229004,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.68,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 4.92,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]