[
  {
    "molid": "mol7463",
    "smiles": "OCCNc1ncccn1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "OCCNc1ncccn1",
        "std_free_energy": -8.276073455810547,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "OCCNc1nccc[nH+]1",
        "std_free_energy": -1.1177008152008057,
        "relative_population": 0.3467111148110182
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "OCC[NH2+]c1ncccn1",
        "std_free_energy": -1.7512283325195312,
        "relative_population": 0.6532888851889819
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.53,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]