[
  {
    "molid": "mol25769",
    "smiles": "CCCCNc1cc(N)ncn1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCCNc1cc(N)ncn1",
        "std_free_energy": -5.844027042388916,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCCC[NH2+]c1cc(N)ncn1",
        "std_free_energy": -4.632255554199219,
        "relative_population": 0.44458374088201535
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CCCCNc1cc([NH3+])ncn1",
        "std_free_energy": -3.9339425563812256,
        "relative_population": 0.22114651216319195
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "CCCCNc1cc(N)[nH+]cn1",
        "std_free_energy": -3.6656060218811035,
        "relative_population": 0.16909977043385974
      },
      {
        "id": "1_4",
        "charge": 1,
        "smiles": "CCCCNc1cc(N)nc[nH+]1",
        "std_free_energy": -3.642092227935791,
        "relative_population": 0.16516997652093307
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.7,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]