[
  {
    "molid": "mol825",
    "smiles": "O=C1c2cccc(O)c2C(=O)c2c(O)cccc21",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C1c2cccc(O)c2C(=O)c2c(O)cccc21",
        "std_free_energy": -4.87152099609375,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C1c2cccc([O-])c2C(=O)c2c(O)cccc21",
        "std_free_energy": -2.7539114952087402,
        "relative_population": 1.0
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C1c2cccc([O-])c2C(=O)c2c([O-])cccc21",
        "std_free_energy": 7.59405517578125,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.3,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 8.6,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 12.46,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]