[
  {
    "molid": "mol7512",
    "smiles": "O=NCNc1ccncn1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=NCNc1ccncn1",
        "std_free_energy": -6.0876240730285645,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "O=NC[NH2+]c1ccncn1",
        "std_free_energy": -1.6176468133926392,
        "relative_population": 0.1806170114790133
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "O=NCNc1cc[nH+]cn1",
        "std_free_energy": -2.434739589691162,
        "relative_population": 0.4089004006039288
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "O=NCNc1ccnc[nH+]1",
        "std_free_energy": -2.438601493835449,
        "relative_population": 0.4104825879170579
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.62,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]