[
  {
    "molid": "mol4308",
    "smiles": "Cc1cccc(-n2nnnc2N)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cccc(-n2nnnc2N)c1",
        "std_free_energy": -7.152460098266602,
        "relative_population": 1.0
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Cc1cccc(-n2nnnc2[NH3+])c1",
        "std_free_energy": 5.662656307220459,
        "relative_population": 0.6696494137949383
      },
      {
        "id": "1_4",
        "charge": 1,
        "smiles": "Cc1cccc(-n2nn[nH+]c2N)c1",
        "std_free_energy": 6.650443077087402,
        "relative_population": 0.2493774326478968
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.08,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 1.08000004291534,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]