[
  {
    "molid": "mol24722",
    "smiles": "NN1CCCCCC1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "NN1CCCCCC1",
        "std_free_energy": -3.7032880783081055,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "[NH3+]N1CCCCCC1",
        "std_free_energy": -4.871474742889404,
        "relative_population": 0.36828066168080553
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "N[NH+]1CCCCCC1",
        "std_free_energy": -5.411074638366699,
        "relative_population": 0.6317193383191945
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.92,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]