[
  {
    "molid": "mol37512",
    "smiles": "O=C1CNC(=O)[C@H](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": -0.3593776524066925,
        "relative_population": 0.8859351218240229
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "O=C1C[N-]C(=O)[C@H](Cc2ccc(O)cc2)N1",
        "std_free_energy": 2.101954698562622,
        "relative_population": 0.07558904543421187
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.47000026702881,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]