[
  {
    "molid": "mol12304",
    "smiles": "O=C(Cc1ccccc1)C1C(=O)N(c2ccccc2)N(c2ccc(O)cc2)C1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(Cc1ccccc1)[C@@H]1C(=O)N(c2ccccc2)N(c2ccc(O)cc2)C1=O",
        "std_free_energy": -5.157622337341309,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C(Cc1ccccc1)[C@@H]1C(=O)N(c2ccccc2)N(c2ccc([O-])cc2)C1=O",
        "std_free_energy": -1.9215830564498901,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]