[
  {
    "molid": "mol37414",
    "smiles": "NCCCC[C@H](NC=O)C(=O)O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "[NH3+]CCCC[C@H](NC=O)C(=O)[O-]",
        "std_free_energy": -12.143536567687988,
        "relative_population": 0.9999965771089849
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "NCCCC[C@H](NC=O)C(=O)[O-]",
        "std_free_energy": -3.849123477935791,
        "relative_population": 0.9997195162588355
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.6000003814697,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]