[
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    "molid": "mol35238",
    "smiles": "NCC(=O)NC(COP(=O)(O)O)C(=O)O",
    "microspecies": [
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        "smiles": "[NH3+]CC(=O)N[C@@H](COP(=O)([O-])O)C(=O)O",
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    "macro_pka_values": [
      {
        "pka_value": 2.90000009536743,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]