[
  {
    "molid": "mol15521",
    "smiles": "CN(C)Cc1cnc2ccc(-c3ccccc3)nn12",
    "microspecies": [
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "C[NH+](C)Cc1cnc2ccc(-c3ccccc3)nn12",
        "std_free_energy": -7.928657054901123,
        "relative_population": 0.9451950592430541
      },
      {
        "id": "2_2",
        "charge": 2,
        "smiles": "C[NH+](C)Cc1c[nH+]c2ccc(-c3ccccc3)nn12",
        "std_free_energy": 0.7129015326499939,
        "relative_population": 0.5669359753996325
      },
      {
        "id": "2_3",
        "charge": 2,
        "smiles": "C[NH+](C)Cc1cnc2ccc(-c3ccccc3)[nH+]n12",
        "std_free_energy": 0.9828947186470032,
        "relative_population": 0.43279024724593385
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.99,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 2.99000000953674,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]