[
  {
    "molid": "mol22843",
    "smiles": "COc1cc(C(=O)O)cc(C(=O)O)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1cc(C(=O)O)cc(C(=O)O)c1",
        "std_free_energy": -0.6366395354270935,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COc1cc(C(=O)[O-])cc(C(=O)O)c1",
        "std_free_energy": -8.724647521972656,
        "relative_population": 1.0
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "COc1cc(C(=O)[O-])cc(C(=O)[O-])c1",
        "std_free_energy": -12.057766914367676,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.67,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 3.46,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]