[
  {
    "molid": "mol8359",
    "smiles": "Cn1nc2cncnc2n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cn1nc2cncnc2n1",
        "std_free_energy": -7.333070755004883,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cn1nc2c[nH+]cnc2n1",
        "std_free_energy": 3.8740828037261963,
        "relative_population": 0.36594483014789225
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cn1nc2cncnc2[nH+]1",
        "std_free_energy": 4.655533313751221,
        "relative_population": 0.16750816137642577
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Cn1nc2cnc[nH+]c2n1",
        "std_free_energy": 4.09428596496582,
        "relative_population": 0.29361794736483154
      },
      {
        "id": "1_4",
        "charge": 1,
        "smiles": "Cn1nc2ncncc2[nH+]1",
        "std_free_energy": 4.623683929443359,
        "relative_population": 0.17292906111085035
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.13,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]