[
  {
    "molid": "mol8159",
    "smiles": "Cc1cnc2c(n1)CNC=N2",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cnc2c(n1)CNC=N2",
        "std_free_energy": -7.276660919189453,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1c[nH+]c2c(n1)CNC=N2",
        "std_free_energy": -1.3563992977142334,
        "relative_population": 0.19444205814639304
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1cnc2c([nH+]1)CNC=N2",
        "std_free_energy": -2.209825038909912,
        "relative_population": 0.45648687959187106
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Cc1cnc2c(n1)CNC=[NH+]2",
        "std_free_energy": -1.9415405988693237,
        "relative_population": 0.3490710622617359
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.66,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]