[
  {
    "molid": "mol10420",
    "smiles": "COC(=O)c1cccc(O)c1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COC(=O)c1cccc(O)c1O",
        "std_free_energy": -6.948569297790527,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COC(=O)c1cccc(O)c1[O-]",
        "std_free_energy": -0.17949344217777252,
        "relative_population": 0.15527874794986718
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "COC(=O)c1cccc([O-])c1O",
        "std_free_energy": -1.873278260231018,
        "relative_population": 0.8447212520501328
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "COC(=O)c1cccc([O-])c1[O-]",
        "std_free_energy": 11.877641677856445,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.1,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 12.94,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]