[
  {
    "molid": "mol6798",
    "smiles": "Nc1ccnn1-c1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1ccnn1-c1ccccc1",
        "std_free_energy": -7.365882873535156,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Nc1cc[nH+]n1-c1ccccc1",
        "std_free_energy": 1.0199923515319824,
        "relative_population": 0.28310749351793163
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "[NH3+]c1ccnn1-c1ccccc1",
        "std_free_energy": 0.09089310467243195,
        "relative_population": 0.7168925064820685
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.09,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]