[
  {
    "molid": "mol34875",
    "smiles": "COc1cccnc1C(N)=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1cccnc1C(N)=O",
        "std_free_energy": -7.33416223526001,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "COc1ccc[nH+]c1C(N)=O",
        "std_free_energy": 1.6179239749908447,
        "relative_population": 0.9183739113791156
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "COc1cccnc1C(N)=[OH+]",
        "std_free_energy": 4.038379669189453,
        "relative_population": 0.08162608862088433
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.0,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]