[
  {
    "molid": "mol36846",
    "smiles": "CC[N+](CC)(CC)CC(=O)NO",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC[N+](CC)(CC)CC(=O)[N-]O",
        "std_free_energy": -1.8153448104858398,
        "relative_population": 0.14549397935005617
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CC[N+](CC)(CC)CC(=O)N[O-]",
        "std_free_energy": -3.585733652114868,
        "relative_population": 0.8545060206499437
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CC[N+](CC)(CC)CC(=O)NO",
        "std_free_energy": -7.110076427459717,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.59999990463257,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]