[
  {
    "molid": "mol37448",
    "smiles": "N[C@H](C(=O)O)[C@@H](O)C(F)(F)F",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "[NH3+][C@H](C(=O)[O-])[C@@H](O)C(F)(F)F",
        "std_free_energy": -11.128532409667969,
        "relative_population": 0.9998512487386056
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "[NH3+][C@H](C(=O)O)[C@@H](O)C(F)(F)F",
        "std_free_energy": -0.3722173571586609,
        "relative_population": 0.9787752910887949
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.54999995231628,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]