[
  {
    "molid": "mol25346",
    "smiles": "CC(C)c1c(N)n[nH]c1O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CC(C)c1c(N)n[nH]c1O",
        "std_free_energy": -6.450069427490234,
        "relative_population": 0.9989930907713429
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CC(C)c1c(O)[nH][nH+]c1N",
        "std_free_energy": 0.5548142790794373,
        "relative_population": 0.5699340990248076
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CC(C)c1c([NH3+])n[nH]c1O",
        "std_free_energy": 0.8365074396133423,
        "relative_population": 0.43001821913212185
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.8,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]