[
  {
    "molid": "mol10833",
    "smiles": "O=C(O)c1cc(C(=O)O)c(C(=O)O)cc1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)c1cc(C(=O)O)c(C(=O)O)cc1O",
        "std_free_energy": 4.896979331970215,
        "relative_population": 1.0
      },
      {
        "id": "-3_2",
        "charge": -3,
        "smiles": "O=C([O-])c1cc(C(=O)[O-])c(C(=O)[O-])cc1O",
        "std_free_energy": -15.45422649383545,
        "relative_population": 0.9997534080481525
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C(O)c1cc(C(=O)O)c(C(=O)[O-])cc1O",
        "std_free_energy": -5.725732326507568,
        "relative_population": 0.33319599481925244
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "O=C([O-])c1cc(C(=O)O)c(C(=O)O)cc1O",
        "std_free_energy": -5.8358235359191895,
        "relative_population": 0.37197330810082474
      },
      {
        "id": "-1_4",
        "charge": -1,
        "smiles": "O=C(O)c1cc(C(=O)[O-])c(C(=O)O)cc1O",
        "std_free_energy": -5.586968898773193,
        "relative_population": 0.29002509744093785
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "O=C([O-])c1cc(C(=O)O)c(C(=O)[O-])cc1O",
        "std_free_energy": -12.293827056884766,
        "relative_population": 0.3555914035428744
      },
      {
        "id": "-2_3",
        "charge": -2,
        "smiles": "O=C([O-])c1cc(C(=O)[O-])c(C(=O)O)cc1O",
        "std_free_energy": -12.737532615661621,
        "relative_population": 0.5541790822164513
      },
      {
        "id": "-2_6",
        "charge": -2,
        "smiles": "O=C(O)c1cc(C(=O)[O-])c(C(=O)[O-])cc1O",
        "std_free_energy": -10.899192810058594,
        "relative_population": 0.08815953598013401
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.86,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 1.86000001430511,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 3.39,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 5.3,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 3.4,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 3.39000010490417,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 5.30000019073486,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "QSARToolbox"
      }
    ]
  }
]