[
  {
    "molid": "mol15683",
    "smiles": "CC(C)(C)c1ccc(-c2c(O)c2=O)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(C)(C)c1ccc(-c2c(O)c2=O)cc1",
        "std_free_energy": -1.42376708984375,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(C)(C)c1ccc(-c2c([O-])c2=O)cc1",
        "std_free_energy": -11.742996215820312,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.21,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      }
    ]
  }
]