[
  {
    "molid": "mol25274",
    "smiles": "Cn1nnnc1CN",
    "microspecies": [
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Cn1nnnc1C[NH3+]",
        "std_free_energy": -0.8075462579727173,
        "relative_population": 0.9352406398372839
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "Cn1n[nH+][nH+]c1CN",
        "std_free_energy": 16.999164581298828,
        "relative_population": 0.30649492998443284
      },
      {
        "id": "2_2",
        "charge": 2,
        "smiles": "Cn1[nH+]n[nH+]c1CN",
        "std_free_energy": 16.881460189819336,
        "relative_population": 0.3447796802520817
      },
      {
        "id": "2_4",
        "charge": 2,
        "smiles": "Cn1[nH+][nH+]nc1CN",
        "std_free_energy": 16.974132537841797,
        "relative_population": 0.3142639560193476
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 0.55,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]