[
  {
    "molid": "mol6866",
    "smiles": "CC1=NNC2(CCCC2)C1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC1=NNC2(CCCC2)C1",
        "std_free_energy": -4.63607120513916,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CC1=[NH+]NC2(CCCC2)C1",
        "std_free_energy": -1.8198816776275635,
        "relative_population": 0.20464449981194271
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CC1=N[NH2+]C2(CCCC2)C1",
        "std_free_energy": -3.177396535873413,
        "relative_population": 0.7953555001880572
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.17,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]