[
  {
    "molid": "mol36514",
    "smiles": "CN1CCOCCN(C)CCN(C)CC1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN1CCOCCN(C)CCN(C)CC1",
        "std_free_energy": -1.956068754196167,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CN1CCOCCN(C)CC[NH+](C)CC1",
        "std_free_energy": -8.61240005493164,
        "relative_population": 0.7158430032527859
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CN1CCOCC[NH+](C)CCN(C)CC1",
        "std_free_energy": -7.6884660720825195,
        "relative_population": 0.284156996747214
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "CN1CC[NH+](C)CCOCC[NH+](C)CC1",
        "std_free_energy": -11.42931079864502,
        "relative_population": 0.9895078101342242
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.9700002670288,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 8.28999996185303,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]