[
  {
    "molid": "mol25372",
    "smiles": "Cc1nc([N+](=O)[O-])c(N)n1C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1nc([N+](=O)[O-])c(N)n1C",
        "std_free_energy": -7.142077445983887,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1[nH+]c([N+](=O)[O-])c(N)n1C",
        "std_free_energy": 3.6374902725219727,
        "relative_population": 0.8734798116201807
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1nc([N+](=O)[O-])c([NH3+])n1C",
        "std_free_energy": 5.569573402404785,
        "relative_population": 0.12652018837981924
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 0.33,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]