[
  {
    "molid": "mol7459",
    "smiles": "CCCCCCNc1ncccn1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCCCCNc1ncccn1",
        "std_free_energy": -7.230484485626221,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCCCCC[NH2+]c1ncccn1",
        "std_free_energy": -1.667209267616272,
        "relative_population": 0.5202468723703461
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CCCCCCNc1nccc[nH+]1",
        "std_free_energy": -1.5861774682998657,
        "relative_population": 0.479753127629654
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.13,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]