[
  {
    "molid": "mol29612",
    "smiles": "CC(C(=O)O)c1ccc(C(F)C(C)C)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(C)[C@@H](F)c1ccc([C@H](C)C(=O)O)cc1",
        "std_free_energy": -4.091869354248047,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC(C)[C@@H](F)c1ccc([C@H](C)C(=O)[O-])cc1",
        "std_free_energy": -9.21739387512207,
        "relative_population": 0.9999999854133418
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.23,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]