[
  {
    "molid": "mol25398",
    "smiles": "Cn1nnnc1-c1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cn1nnnc1-c1ccccc1",
        "std_free_energy": -6.4796552658081055,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cn1[nH+]nnc1-c1ccccc1",
        "std_free_energy": 14.142217636108398,
        "relative_population": 0.24501756070281258
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cn1nn[nH+]c1-c1ccccc1",
        "std_free_energy": 13.466219902038574,
        "relative_population": 0.48170294066597236
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Cn1n[nH+]nc1-c1ccccc1",
        "std_free_energy": 14.033052444458008,
        "relative_population": 0.27327949863121503
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.5,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": -2.41,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]