[
  {
    "molid": "mol9015",
    "smiles": "Nc1nc(=O)cn[nH]1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1nc(=O)cn[nH]1",
        "std_free_energy": -6.713327407836914,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Nc1[nH]ncc(=O)[nH+]1",
        "std_free_energy": 0.5676321983337402,
        "relative_population": 0.48382478403082907
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Nc1nc(=O)c[nH+][nH]1",
        "std_free_energy": 0.6665972471237183,
        "relative_population": 0.43823608671082875
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "[NH3+]c1nc(=O)cn[nH]1",
        "std_free_energy": 2.3934268951416016,
        "relative_population": 0.0779391292583421
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.55,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]