[
  {
    "molid": "mol10624",
    "smiles": "Cc1cc(S(=O)(=O)O)cc(C(=O)O)c1O",
    "microspecies": [
      {
        "id": "-3_1",
        "charge": -3,
        "smiles": "Cc1cc(S(=O)(=O)[O-])cc(C(=O)[O-])c1[O-]",
        "std_free_energy": -1.4923971891403198,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Cc1cc(S(=O)(=O)O)cc(C(=O)[O-])c1O",
        "std_free_energy": -8.90585708618164,
        "relative_population": 0.996493571588873
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "Cc1cc(S(=O)(=O)[O-])cc(C(=O)[O-])c1O",
        "std_free_energy": -13.498541831970215,
        "relative_population": 0.9999024566098395
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.78,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 2.55,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 2.97000002861023,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 13.08,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 12.74,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 13.2700004577637,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "QSARToolbox"
      }
    ]
  }
]