[
  {
    "molid": "mol11107",
    "smiles": "CCCCNC(C)(C)C(C)=NO",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCC[NH2+]C(C)(C)C(C)=N[O-]",
        "std_free_energy": -3.303363800048828,
        "relative_population": 0.3235823346944242
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CCCCNC(C)(C)C(C)=NO",
        "std_free_energy": -4.0407209396362305,
        "relative_population": 0.6764176653055757
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CCCC[NH2+]C(C)(C)C(C)=NO",
        "std_free_energy": -9.53586196899414,
        "relative_population": 0.9986552341188983
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.09,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]