[
  {
    "molid": "mol22530",
    "smiles": "O=C(O)/C=C(/O)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)/C=C(/O)C(=O)O",
        "std_free_energy": 2.695239305496216,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C(O)/C=C(/O)C(=O)[O-]",
        "std_free_energy": -7.978808879852295,
        "relative_population": 0.4818659337742245
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "O=C([O-])/C=C(/O)C(=O)O",
        "std_free_energy": -7.99373722076416,
        "relative_population": 0.4891133540946845
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C([O-])/C=C(/O)C(=O)[O-]",
        "std_free_energy": -14.403051376342773,
        "relative_population": 0.9996820569575958
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.15,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 4.06,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]