[
  {
    "molid": "mol23459",
    "smiles": "CC(=O)N(CC(=O)O)c1ccccc1C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(=O)N(CC(=O)O)c1ccccc1C",
        "std_free_energy": -2.9388842582702637,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(=O)N(CC(=O)[O-])c1ccccc1C",
        "std_free_energy": -10.663911819458008,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.66,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]