[
  {
    "molid": "mol586",
    "smiles": "O=C(O)c1cc(=O)c2ccccc2[nH]1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)c1cc(=O)c2ccccc2[nH]1",
        "std_free_energy": -1.6776187419891357,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])c1cc(=O)c2ccccc2[nH]1",
        "std_free_energy": -10.227677345275879,
        "relative_population": 0.9958333244479635
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.5,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]