[
  {
    "molid": "mol13780",
    "smiles": "N#Cc1cnc2ccccc2c1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "N#Cc1cnc2ccccc2c1O",
        "std_free_energy": -7.7342000007629395,
        "relative_population": 0.9999986748893552
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "N#Cc1c[nH+]c2ccccc2c1O",
        "std_free_energy": 12.795289993286133,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": -2.08,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": -2.0799999,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]