[
  {
    "molid": "mol10418",
    "smiles": "O=C(O)C1=CC=CCC1C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)C1=CC=CC[C@@H]1C(=O)O",
        "std_free_energy": -1.5952763557434082,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C(O)C1=CC=CC[C@@H]1C(=O)[O-]",
        "std_free_energy": -9.463944435119629,
        "relative_population": 0.7414864984730111
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C([O-])C1=CC=CC[C@@H]1C(=O)O",
        "std_free_energy": -8.410235404968262,
        "relative_population": 0.25851350152698893
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C([O-])C1=CC=CC[C@@H]1C(=O)[O-]",
        "std_free_energy": -11.779213905334473,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.08,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 5.02,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]