[
  {
    "molid": "mol7391",
    "smiles": "CN(C)c1cncnc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN(C)c1cncnc1",
        "std_free_energy": -9.225336074829102,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CN(C)c1cnc[nH+]c1",
        "std_free_energy": -1.1912024021148682,
        "relative_population": 0.7886549914996418
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "C[NH+](C)c1cncnc1",
        "std_free_energy": 0.12563464045524597,
        "relative_population": 0.21134500850035823
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.96,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]