[
  {
    "molid": "mol35045",
    "smiles": "CC(C)(CO)N1CCOCCOCCN(C(C)(C)CO)CCOCCOCC1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(C)(CO)N1CCOCCOCCN(C(C)(C)CO)CCOCCOCC1",
        "std_free_energy": -3.6696033477783203,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CC(C)(CO)N1CCOCCOCC[NH+](C(C)(C)CO)CCOCCOCC1",
        "std_free_energy": -7.901865005493164,
        "relative_population": 0.983538434588913
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.96000003814697,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]