[
  {
    "molid": "mol14553",
    "smiles": "O=C1CNC(=O)C(Cc2ccc(O)cc2)N1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C1CNC(=O)[C@H](Cc2ccc(O)cc2)N1",
        "std_free_energy": -7.130298614501953,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C1CNC(=O)[C@H](Cc2ccc([O-])cc2)N1",
        "std_free_energy": -0.359377384185791,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.47,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 9.4700003,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]