[
  {
    "molid": "mol36857",
    "smiles": "C[N+](C)(CCC[N+](C)(C)CC(=O)NO)CC(=O)NO",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[N+](C)(CCC[N+](C)(C)CC(=O)NO)CC(=O)[N-]O",
        "std_free_energy": -1.8704540729522705,
        "relative_population": 0.13636305433864745
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "C[N+](C)(CCC[N+](C)(C)CC(=O)NO)CC(=O)N[O-]",
        "std_free_energy": -3.7162857055664062,
        "relative_population": 0.8636369456613525
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "C[N+](C)(CCC[N+](C)(C)CC(=O)NO)CC(=O)NO",
        "std_free_energy": -5.654820442199707,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.19999980926514,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]