[
  {
    "molid": "mol11297",
    "smiles": "O=C(O)c1cnn(-c2ccccc2)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)c1cnn(-c2ccccc2)c1",
        "std_free_energy": -5.003640174865723,
        "relative_population": 0.9999189358299769
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])c1cnn(-c2ccccc2)c1",
        "std_free_energy": -10.54483699798584,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.4,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]