[
  {
    "molid": "mol25734",
    "smiles": "CNc1cc(O)[n+](C)cn1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CNc1cc([O-])[n+](C)cn1",
        "std_free_energy": -6.055690288543701,
        "relative_population": 0.9999544216850522
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CNc1cc([O-])[n+](C)c[nH+]1",
        "std_free_energy": 3.392819404602051,
        "relative_population": 0.15917264241355294
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "C[NH2+]c1cc([O-])[n+](C)cn1",
        "std_free_energy": 3.440483331680298,
        "relative_population": 0.15176381860317462
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "CNc1cc(O)[n+](C)cn1",
        "std_free_energy": 1.9274753332138062,
        "relative_population": 0.6890635389832724
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.0,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]