[
  {
    "molid": "mol37267",
    "smiles": "C[C@H](N)C(=O)N[C@H](C)C(=O)N[C@@H](C)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@H]([NH3+])C(=O)N[C@H](C)C(=O)N[C@@H](C)C(=O)[O-]",
        "std_free_energy": -11.32779312133789,
        "relative_population": 0.9999376662748994
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "C[C@H]([NH3+])C(=O)N[C@H](C)C(=O)N[C@@H](C)C(=O)O",
        "std_free_energy": -2.7551238536834717,
        "relative_population": 0.9645461526974863
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.30999994277954,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]