[
  {
    "molid": "mol34128",
    "smiles": "CCC(NC(C(=O)O)C(=O)O)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC[C@H]([NH2+]C(C(=O)[O-])C(=O)O)C(=O)O",
        "std_free_energy": -2.372978925704956,
        "relative_population": 0.44078498857937704
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CC[C@H](NC(C(=O)O)C(=O)O)C(=O)O",
        "std_free_energy": -0.8553979992866516,
        "relative_population": 0.09663840948365753
      },
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "CC[C@H]([NH2+]C(C(=O)O)C(=O)O)C(=O)[O-]",
        "std_free_energy": -2.421233892440796,
        "relative_population": 0.4625766019369654
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CC[C@H]([NH2+]C(C(=O)O)C(=O)O)C(=O)O",
        "std_free_energy": 6.274341583251953,
        "relative_population": 0.9132116262775847
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.87999999523163,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]