[
  {
    "molid": "mol22242",
    "smiles": "C/C(O)=C/C(=O)C(=O)O",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C/C(O)=C/C(=O)C(=O)[O-]",
        "std_free_energy": -11.116228103637695,
        "relative_population": 0.9930034735546494
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "C/C([O-])=C/C(=O)C(=O)[O-]",
        "std_free_energy": -2.570608615875244,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.85,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]