[
  {
    "molid": "mol31763",
    "smiles": "N[C@H](CO)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "[NH3+][C@H](CO)C(=O)[O-]",
        "std_free_energy": -11.96975326538086,
        "relative_population": 0.99995335828386
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "N[C@H](CO)C(=O)[O-]",
        "std_free_energy": -6.671723365783691,
        "relative_population": 0.9999997988312931
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.21,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 9.14999961853027,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]