[
  {
    "molid": "mol15798",
    "smiles": "C1CN2C(=N1)N1CCN=C1N1CCN=C21",
    "microspecies": [
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "C1CN2C(=N1)N1CC[NH+]=C1N1CC[NH+]=C21",
        "std_free_energy": 2.693735122680664,
        "relative_population": 1.0
      },
      {
        "id": "3_1",
        "charge": 3,
        "smiles": "C1CN2C(=[NH+]1)N1CC[NH+]=C1N1CC[NH+]=C21",
        "std_free_energy": 5.138339042663574,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.8,
        "charge_state_pre": 3,
        "charge_state_post": 2,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 5.8000002,
        "charge_state_pre": 3,
        "charge_state_post": 2,
        "data_source": "OCHEM"
      }
    ]
  }
]