[
  {
    "molid": "mol23910",
    "smiles": "CC(=O)CC(=O)Nc1ccccc1Cl",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(=O)CC(=O)Nc1ccccc1Cl",
        "std_free_energy": -6.575628280639648,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC(=O)[CH-]C(=O)Nc1ccccc1Cl",
        "std_free_energy": 1.4174609184265137,
        "relative_population": 0.9079641804599099
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "CC(=O)CC(=O)[N-]c1ccccc1Cl",
        "std_free_energy": 4.051211357116699,
        "relative_population": 0.06519967539398054
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.71,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]