[
  {
    "molid": "mol20097",
    "smiles": "Cc1noc(/C=N\\O)n1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Cc1noc(/C=N\\O)n1",
        "std_free_energy": -6.1732177734375,
        "relative_population": 0.9999608226911926
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1noc(/C=N\\[O-])n1",
        "std_free_energy": -2.6164169311523438,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.6,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]