[
  {
    "molid": "mol36515",
    "smiles": "CN1CCOCCNCCOCCN(C)CCOCC1",
    "microspecies": [
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "CN1CCOCC[NH2+]CCOCC[NH+](C)CCOCC1",
        "std_free_energy": -8.694475173950195,
        "relative_population": 0.298280334922402
      },
      {
        "id": "2_2",
        "charge": 2,
        "smiles": "C[NH+]1CCOCCNCCOCC[NH+](C)CCOCC1",
        "std_free_energy": -9.549975395202637,
        "relative_population": 0.7017196650775981
      },
      {
        "id": "3_1",
        "charge": 3,
        "smiles": "C[NH+]1CCOCC[NH2+]CCOCC[NH+](C)CCOCC1",
        "std_free_energy": -11.663881301879883,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.90000009536743,
        "charge_state_pre": 3,
        "charge_state_post": 2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]