[
  {
    "molid": "mol21258",
    "smiles": "NCc1cc(O)no1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "[NH3+]Cc1cc([O-])no1",
        "std_free_energy": -6.5786638259887695,
        "relative_population": 0.9193585820106521
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "NCc1cc(O)no1",
        "std_free_energy": -4.144999980926514,
        "relative_population": 0.08064141798934783
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "[NH3+]Cc1cc(O)no1",
        "std_free_energy": -4.210497856140137,
        "relative_population": 0.9827976093571764
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.78,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]