[
  {
    "molid": "mol8881",
    "smiles": "C#CCNN",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C#CCNN",
        "std_free_energy": -5.374626159667969,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C#CCN[NH3+]",
        "std_free_energy": -2.849930763244629,
        "relative_population": 0.5260116851712906
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "C#CC[NH2+]N",
        "std_free_energy": -2.7457900047302246,
        "relative_population": 0.47398831482870935
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.46,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 5.46000003814697,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]