[
  {
    "molid": "mol826",
    "smiles": "O=C1c2ccc(O)cc2C(=O)c2ccc(O)cc21",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C1c2ccc(O)cc2C(=O)c2ccc(O)cc21",
        "std_free_energy": -4.513064384460449,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C1c2ccc(O)cc2C(=O)c2ccc([O-])cc21",
        "std_free_energy": -2.685509204864502,
        "relative_population": 1.0
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C1c2ccc([O-])cc2C(=O)c2ccc([O-])cc21",
        "std_free_energy": 5.020164489746094,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.22,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 7.9,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 6.55,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 8.28,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]