[
  {
    "molid": "mol6638",
    "smiles": "Cn1ccnc1N",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cn1ccnc1N",
        "std_free_energy": -3.972653388977051,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cn1cc[nH+]c1N",
        "std_free_energy": -7.6799516677856445,
        "relative_population": 0.8101240091732591
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cn1ccnc1[NH3+]",
        "std_free_energy": -6.229135513305664,
        "relative_population": 0.18987599082674095
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.54,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Organic Oxygen Acids and Nitrogen Bases"
      }
    ]
  }
]