[
  {
    "molid": "mol36311",
    "smiles": "O=C([O-])C[n+]1ccn(CC(=O)O)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C([O-])C[n+]1ccn(CC(=O)O)c1",
        "std_free_energy": -7.185674667358398,
        "relative_population": 0.8451908128242979
      },
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "O=C([O-])Cn1cc[n+](CC(=O)O)c1",
        "std_free_energy": -5.488261699676514,
        "relative_population": 0.15480239740937982
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])Cn1cc[n+](CC(=O)[O-])c1",
        "std_free_energy": -13.938682556152344,
        "relative_population": 0.9999997417690537
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.92000007629395,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]