[
  {
    "molid": "mol25882",
    "smiles": "C(c1nnn[nH]1)c1nnn[nH]1",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C(c1nnn[n-]1)c1nnn[nH]1",
        "std_free_energy": -8.674562454223633,
        "relative_population": 0.9998703514684317
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "C(c1nnn[n-]1)c1nnn[n-]1",
        "std_free_energy": -10.663630485534668,
        "relative_population": 0.9999999621122089
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.42000007629395,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 5.3,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 3.42,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]