[
  {
    "molid": "mol10854",
    "smiles": "O=C(O)COc1ccccc1C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)COc1ccccc1C(=O)O",
        "std_free_energy": -0.6274770498275757,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C(O)COc1ccccc1C(=O)[O-]",
        "std_free_energy": -8.264904022216797,
        "relative_population": 0.2853618429727996
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C([O-])COc1ccccc1C(=O)O",
        "std_free_energy": -9.18292236328125,
        "relative_population": 0.7146381570272003
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C([O-])COc1ccccc1C(=O)[O-]",
        "std_free_energy": -12.66731071472168,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.51,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 4.36,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]