[
  {
    "molid": "mol36834",
    "smiles": "CCCCCCCCCCCCCCCC[N+](C)(C)CCCC(=O)NO",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCCCCCCCCCCCCCC[N+](C)(C)CCCC(=O)N[O-]",
        "std_free_energy": -2.254237174987793,
        "relative_population": 0.658496748369893
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CCCCCCCCCCCCCCCC[N+](C)(C)CCCC(=O)[N-]O",
        "std_free_energy": -1.5976347923278809,
        "relative_population": 0.341503251630107
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCCCCCCCCCCCCCCC[N+](C)(C)CCCC(=O)NO",
        "std_free_energy": -6.995707988739014,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.10000038146973,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]