[
  {
    "molid": "mol32395",
    "smiles": "NC(=O)C(N)C(O)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "NC(=O)[C@@H]([NH3+])[C@H](O)C(=O)[O-]",
        "std_free_energy": -11.302462577819824,
        "relative_population": 0.9999102229384325
      },
      {
        "id": "1_4",
        "charge": 1,
        "smiles": "NC(=O)[C@@H]([NH3+])[C@H](O)C(=O)O",
        "std_free_energy": -1.6501846313476562,
        "relative_population": 0.9906654612873661
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "NC(=O)[C@@H](N)[C@H](O)C(=O)[O-]",
        "std_free_energy": -10.268685340881348,
        "relative_population": 0.9999887015445972
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.1700001,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 2.3099999,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 2.30999994277954,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]