[
  {
    "molid": "mol20547",
    "smiles": "Nc1ccc(C(=O)O)cc1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1ccc(C(=O)O)cc1O",
        "std_free_energy": -4.546290397644043,
        "relative_population": 0.6904774567977261
      },
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "[NH3+]c1ccc(C(=O)[O-])cc1O",
        "std_free_energy": -3.7438714504241943,
        "relative_population": 0.3095019453132648
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Nc1ccc(C(=O)[O-])cc1O",
        "std_free_energy": -9.223224639892578,
        "relative_population": 0.9995094399767861
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.59,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]