[
  {
    "molid": "mol34241",
    "smiles": "NC(C(=O)O)c1ccc(F)cc1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "[NH3+][C@@H](C(=O)[O-])c1ccc(F)cc1",
        "std_free_energy": -11.793473243713379,
        "relative_population": 0.9999759180735991
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "[NH3+][C@@H](C(=O)O)c1ccc(F)cc1",
        "std_free_energy": -1.5417468547821045,
        "relative_population": 0.9999048706926055
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.29999995231628,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]