[
  {
    "molid": "mol8025",
    "smiles": "Cc1nc2ccncc2nc1C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1nc2ccncc2nc1C",
        "std_free_energy": -9.500669479370117,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1nc2cnccc2[nH+]c1C",
        "std_free_energy": -0.6655585765838623,
        "relative_population": 0.3295977734594112
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1nc2ccncc2[nH+]c1C",
        "std_free_energy": -0.9138641357421875,
        "relative_population": 0.4224954180515043
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Cc1nc2cc[nH+]cc2nc1C",
        "std_free_energy": -0.38073843717575073,
        "relative_population": 0.24790680848908445
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.28,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 3.27999997138977,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]