[
  {
    "molid": "mol7981",
    "smiles": "Cn1cnc2cnccc21",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cn1cnc2cnccc21",
        "std_free_energy": -6.411466598510742,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cn1cnc2c[nH+]ccc21",
        "std_free_energy": -3.548170566558838,
        "relative_population": 0.37027064345014643
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cn1c[nH+]c2cnccc21",
        "std_free_energy": -4.079226493835449,
        "relative_population": 0.6297293565498535
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.17,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]