[
  {
    "molid": "mol23562",
    "smiles": "CCC(C)c1ccc(C(CC)CC(=O)O)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC[C@H](CC(=O)O)c1ccc([C@H](C)CC)cc1",
        "std_free_energy": -4.209537506103516,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC[C@H](CC(=O)[O-])c1ccc([C@H](C)CC)cc1",
        "std_free_energy": -8.343400955200195,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.7,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]