[
  {
    "molid": "mol7325",
    "smiles": "CCN(CC)c1nc(C)cc(C)n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCN(CC)c1nc(C)cc(C)n1",
        "std_free_energy": -5.432501792907715,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CC[NH+](CC)c1nc(C)cc(C)n1",
        "std_free_energy": -2.797072649002075,
        "relative_population": 0.5001970529454254
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CCN(CC)c1nc(C)cc(C)[nH+]1",
        "std_free_energy": -2.7962844371795654,
        "relative_population": 0.4998029470545747
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.73,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]