[
  {
    "molid": "mol9956",
    "smiles": "O=c1ccc(O)ccc1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=c1ccc(O)ccc1O",
        "std_free_energy": -3.6621310710906982,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=c1ccc(O)ccc1[O-]",
        "std_free_energy": -2.890087604522705,
        "relative_population": 0.38909237932919083
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=c1ccc([O-])ccc1O",
        "std_free_energy": -3.341216564178467,
        "relative_population": 0.6109076206708092
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=c1ccc([O-])ccc1[O-]",
        "std_free_energy": 3.8999674320220947,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.47,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 6.4699998,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 10.1,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]