[
  {
    "molid": "mol36504",
    "smiles": "CN1CCN(CC(=O)O)CCN(C)CCN(CC(=O)O)CC1",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CN1CCN(CC(=O)[O-])CCN(C)CC[NH+](CC(=O)[O-])CC1",
        "std_free_energy": -14.113424301147461,
        "relative_population": 0.7658285155434822
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CN1CCN(CC(=O)[O-])CC[NH+](C)CCN(CC(=O)[O-])CC1",
        "std_free_energy": -12.928043365478516,
        "relative_population": 0.23405996400501847
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "CN1CCN(CC(=O)[O-])CCN(C)CCN(CC(=O)[O-])CC1",
        "std_free_energy": -4.7902631759643555,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.3800001144409,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]