[
  {
    "molid": "mol13765",
    "smiles": "O=C(O)CC1NNc2ccccc21",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C([O-])C[C@H]1[NH2+]Nc2ccccc21",
        "std_free_energy": -11.161226272583008,
        "relative_population": 0.9913022707888627
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "O=C(O)C[C@H]1[NH2+]Nc2ccccc21",
        "std_free_energy": -1.9004406929016113,
        "relative_population": 0.8761543108586983
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "O=C([O-])C[C@H]1[NH2+][NH2+]c2ccccc21",
        "std_free_energy": 0.7584301829338074,
        "relative_population": 0.061354673966989605
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "O=C(O)C[C@H]1N[NH2+]c2ccccc21",
        "std_free_energy": 0.7400787472724915,
        "relative_population": 0.06249101517431199
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.9,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 2.9000001,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]