[
  {
    "molid": "mol12428",
    "smiles": "NCCc1nnn[nH]1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "NCCc1nnn[nH]1",
        "std_free_energy": -7.604852676391602,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "[NH3+]CCc1nnn[nH]1",
        "std_free_energy": -1.8779946565628052,
        "relative_population": 0.9465317926619687
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "NCCc1nnn[n-]1",
        "std_free_energy": -1.3677277565002441,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.57999992370606,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 3.99,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 3.99000000953674,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]