[
  {
    "molid": "mol19956",
    "smiles": "Nc1cc(C2CCNCC2)cc(OC2CCCC2)n1",
    "microspecies": [
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Nc1cc(C2CC[NH2+]CC2)cc(OC2CCCC2)n1",
        "std_free_energy": -9.450992584228516,
        "relative_population": 0.9384759312119298
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "[NH3+]c1cc(C2CC[NH2+]CC2)cc(OC2CCCC2)n1",
        "std_free_energy": -3.428652763366699,
        "relative_population": 0.34967931429969035
      },
      {
        "id": "2_2",
        "charge": 2,
        "smiles": "Nc1cc(C2CC[NH2+]CC2)cc(OC2CCCC2)[nH+]1",
        "std_free_energy": -4.042527198791504,
        "relative_population": 0.6460590608328134
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.7,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "OCHEM"
      }
    ]
  }
]