[
  {
    "molid": "mol7968",
    "smiles": "Nc1nccn2cncc12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1nccn2cncc12",
        "std_free_energy": -6.76873779296875,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Nc1[nH+]ccn2cncc12",
        "std_free_energy": -3.7957162857055664,
        "relative_population": 0.30837568540387156
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Nc1nccn2c[nH+]cc12",
        "std_free_energy": -3.9431142807006836,
        "relative_population": 0.3573503926590043
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "[NH3+]c1nccn2cncc12",
        "std_free_energy": -3.8763582706451416,
        "relative_population": 0.33427392193712413
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.55,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]