[
  {
    "molid": "mol31452",
    "smiles": "Cc1ccccc1N(O)C(=O)c1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ccccc1N(O)C(=O)c1ccccc1",
        "std_free_energy": -6.344008445739746,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1ccccc1N([O-])C(=O)c1ccccc1",
        "std_free_energy": -2.6112029552459717,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.18,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]