[
  {
    "molid": "mol11326",
    "smiles": "O=C1CC(c2ccccc2)C(=O)N1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C1C[C@H](c2ccccc2)C(=O)N1",
        "std_free_energy": -6.147430896759033,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C1C[C-](c2ccccc2)C(=O)N1",
        "std_free_energy": -0.7727310657501221,
        "relative_population": 0.561075319236962
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C1C[C@H](c2ccccc2)C(=O)[N-]1",
        "std_free_energy": -0.5272037386894226,
        "relative_population": 0.43892468076303814
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.73,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]