[
  {
    "molid": "mol25878",
    "smiles": "Nc1nnn(CC(=O)O)n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "[NH3+]c1nnn(CC(=O)[O-])n1",
        "std_free_energy": -0.3855704665184021,
        "relative_population": 0.13086382679641306
      },
      {
        "id": "0_4",
        "charge": 0,
        "smiles": "Nc1nnn(CC(=O)O)n1",
        "std_free_energy": -2.2753305435180664,
        "relative_population": 0.8660281115871138
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Nc1nnn(CC(=O)[O-])n1",
        "std_free_energy": -11.478836059570312,
        "relative_population": 0.99995437526613
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.6,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]