[
  {
    "molid": "mol32394",
    "smiles": "NCC=CC(=O)O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "[NH3+]CC=CC(=O)[O-]",
        "std_free_energy": -11.606271743774414,
        "relative_population": 0.9999632316866208
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "[NH3+]CC=CC(=O)O",
        "std_free_energy": -4.632648468017578,
        "relative_population": 0.9994537397922368
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "NCC=CC(=O)[O-]",
        "std_free_energy": -4.226473331451416,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.6499996,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 3.54,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]