[
  {
    "molid": "mol7667",
    "smiles": "Cn1cnnc1N",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cn1cnnc1N",
        "std_free_energy": -6.95172119140625,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cn1cn[nH+]c1N",
        "std_free_energy": 0.5559089779853821,
        "relative_population": 0.36544595565155163
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cn1cnnc1[NH3+]",
        "std_free_energy": 0.5193318128585815,
        "relative_population": 0.37906040382460526
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Cn1c[nH+]nc1N",
        "std_free_energy": 0.9138298630714417,
        "relative_population": 0.25549364052384305
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.38,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]