[
  {
    "molid": "mol31363",
    "smiles": "CCC(C)(CC(C)C)OO",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC[C@](C)(CC(C)C)OO",
        "std_free_energy": -7.707754135131836,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC[C@](C)(CC(C)C)O[O-]",
        "std_free_energy": 7.452261924743652,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 12.8,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]