[
  {
    "molid": "mol7278",
    "smiles": "Cn1cc(N)c(N)nc1=N",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cn1cc(N)c(N)nc1=N",
        "std_free_energy": -1.6871874332427979,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cn1cc(N)c(N)[nH+]c1=N",
        "std_free_energy": -8.935688018798828,
        "relative_population": 0.3447530410123414
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cn1cc(N)c(N)nc1=[NH2+]",
        "std_free_energy": -8.742097854614258,
        "relative_population": 0.2840749674922659
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Cn1cc(N)c([NH3+])nc1=N",
        "std_free_energy": -8.348695755004883,
        "relative_population": 0.19168167890064883
      },
      {
        "id": "1_4",
        "charge": 1,
        "smiles": "Cn1cc([NH3+])c(N)nc1=N",
        "std_free_energy": -8.282980918884277,
        "relative_population": 0.1794903125947439
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 13.66,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]