[
  {
    "molid": "mol7863",
    "smiles": "N#Cc1ncc2ccccc2n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "N#Cc1ncc2ccccc2n1",
        "std_free_energy": -7.154136657714844,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "N#Cc1ncc2ccccc2[nH+]1",
        "std_free_energy": 10.363838195800781,
        "relative_population": 0.5081233982232813
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "N#Cc1nc2ccccc2c[nH+]1",
        "std_free_energy": 10.396334648132324,
        "relative_population": 0.49187660177671866
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": -2.56,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": -2.55999994277954,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]