[
  {
    "molid": "mol14066",
    "smiles": "CCC(C)(C)NC(C)(C)CC",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCC(C)(C)NC(C)(C)CC",
        "std_free_energy": 1.1212201118469238,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCC(C)(C)[NH2+]C(C)(C)CC",
        "std_free_energy": -10.678661346435547,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.6,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 11.6000003814697,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]