[
  {
    "molid": "mol7917",
    "smiles": "COc1ccc2cncnc2c1C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1ccc2cncnc2c1C",
        "std_free_energy": -7.089137077331543,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "COc1ccc2c[nH+]cnc2c1C",
        "std_free_energy": 0.5457113981246948,
        "relative_population": 0.39420359121978676
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "COc1ccc2cnc[nH+]c2c1C",
        "std_free_energy": 0.11603493243455887,
        "relative_population": 0.6057964087802132
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.78,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 3.77999997138977,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]