[
  {
    "molid": "mol38310",
    "smiles": "NC1(C(=O)O)CCNCC1",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "[NH3+]C1(C(=O)[O-])CC[NH2+]CC1",
        "std_free_energy": -13.19577693939209,
        "relative_population": 0.9998875374689491
      },
      {
        "id": "2_3",
        "charge": 2,
        "smiles": "[NH3+]C1(C(=O)O)CC[NH2+]CC1",
        "std_free_energy": -1.6775708198547363,
        "relative_population": 0.9999998559762245
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.0,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]