[
  {
    "molid": "mol37430",
    "smiles": "CCCCCCCCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCCCCCCCC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-]",
        "std_free_energy": -9.959319114685059,
        "relative_population": 0.9988105387681117
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "CCCCCCCCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-]",
        "std_free_energy": -9.614944458007812,
        "relative_population": 0.9999946633183483
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.34999990463257,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]