[
  {
    "molid": "mol13996",
    "smiles": "c1cc(N2CCCC2)ccn1",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "c1cc(N2CCCC2)cc[nH+]1",
        "std_free_energy": -7.829246520996094,
        "relative_population": 0.5173007296616481
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "c1cc([NH+]2CCCC2)ccn1",
        "std_free_energy": -7.760015964508057,
        "relative_population": 0.48269927033835197
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "c1cc([NH+]2CCCC2)cc[nH+]1",
        "std_free_energy": 8.228836059570312,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": -0.53,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": -0.52999997,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "OCHEM"
      }
    ]
  }
]