[
  {
    "molid": "mol38621",
    "smiles": "NC(CC(O)C(=O)O)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "[NH3+][C@H](C[C@H](O)C(=O)O)C(=O)[O-]",
        "std_free_energy": -7.874259948730469,
        "relative_population": 0.8590773738165617
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "[NH3+][C@H](C[C@H](O)C(=O)[O-])C(=O)O",
        "std_free_energy": -6.063790798187256,
        "relative_population": 0.14052562291893517
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "[NH3+][C@H](C[C@H](O)C(=O)O)C(=O)O",
        "std_free_energy": 1.4696933031082153,
        "relative_population": 0.9541984641175272
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.08999991416931,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]