[
  {
    "molid": "mol12367",
    "smiles": "CNc1cccnc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CNc1cccnc1",
        "std_free_energy": -5.262582778930664,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[NH2+]c1cccnc1",
        "std_free_energy": -3.9004852771759033,
        "relative_population": 0.3118754676500071
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CNc1ccc[nH+]c1",
        "std_free_energy": -4.6918511390686035,
        "relative_population": 0.6881245323499929
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "C[NH2+]c1ccc[nH+]c1",
        "std_free_energy": 15.181071281433105,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.41,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 6.4099998,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
      {
        "pka_value": -2.17,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "Datawarrior"
      }
    ]
  }
]