[
  {
    "molid": "mol8360",
    "smiles": "Cn1nnc2ncncc21",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cn1nnc2ncncc21",
        "std_free_energy": -7.139072418212891,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cn1[nH+]nc2ncncc21",
        "std_free_energy": 6.1683244705200195,
        "relative_population": 0.15245392530222104
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cn1nnc2[nH+]cncc21",
        "std_free_energy": 5.271313190460205,
        "relative_population": 0.3738571233479591
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Cn1nnc2nc[nH+]cc21",
        "std_free_energy": 5.287912845611572,
        "relative_population": 0.36770244809323777
      },
      {
        "id": "1_4",
        "charge": 1,
        "smiles": "Cn1n[nH+]c2ncncc21",
        "std_free_energy": 6.531875133514404,
        "relative_population": 0.10598650325658221
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.0,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]