[
  {
    "molid": "mol37692",
    "smiles": "N#CC[C@H](N)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "N#CC[C@H]([NH3+])C(=O)[O-]",
        "std_free_energy": -11.261212348937988,
        "relative_population": 0.9999352414972011
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "N#CC[C@H]([NH3+])C(=O)O",
        "std_free_energy": 0.45884379744529724,
        "relative_population": 0.9729282320363292
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.70000004768372,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]