[
  {
    "molid": "mol38309",
    "smiles": "NC1(C(=O)O)CCCNC1",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "[NH3+][C@]1(C(=O)[O-])CCC[NH2+]C1",
        "std_free_energy": -12.270879745483398,
        "relative_population": 0.9996449972408101
      },
      {
        "id": "2_3",
        "charge": 2,
        "smiles": "[NH3+][C@]1(C(=O)O)CCC[NH2+]C1",
        "std_free_energy": -1.356139898300171,
        "relative_population": 0.9999997823417301
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.39999997615814,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]