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          "citation": "AW",
          "doc_type": "ALANWOOD",
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          "smiles": "C[S+](C)C",
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          "smiles": "C(C(=O)[O-])NCP(=O)([O-])[O-]",
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          "formula": "H",
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          "stereochemistry": "ACHIRAL",
          "count_amount": {
            "type": "MOL RATIO",
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            "units": "MOL RATIO",
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      "definition_level": "COMPLETE",
      "uuid": "8fb93400-0a84-4e91-8715-47b55f56881e",
      "version": "5",
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        "molfile": "\n  Marvin  01132110192D          \n\n 16 12  0  0  0  0            999 V2000\n   15.7280   -8.1277    0.0000 S   0  3  0  0  0  0  0  0  0  0  0  0\n   16.4403   -7.7154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.0112   -7.7154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.7280   -8.9524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.5066   -8.1780    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0\n    8.9247   -7.5964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.6299   -9.0625    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   10.2213   -7.7657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.9314   -8.1780    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   11.6460   -7.7657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.3607   -8.1780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.3607   -9.0027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   13.0708   -7.7657    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    8.7965   -8.5859    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    6.5768   -5.3612    0.0000 H   0  3  0  0  0  0  0  0  0  0  0  0\n    6.5768   -5.3612    0.0000 H   0  3  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  1  3  1  0  0  0  0\n  1  4  1  0  0  0  0\n  5  6  2  0  0  0  0\n  5  7  1  0  0  0  0\n  5  8  1  0  0  0  0\n  8  9  1  0  0  0  0\n  9 10  1  0  0  0  0\n 10 11  1  0  0  0  0\n 11 12  2  0  0  0  0\n 11 13  1  0  0  0  0\n  5 14  1  0  0  0  0\nM  CHG  6   1   1   7  -1  13  -1  14  -1  15   1  16   1\nM  STY  1   1 MUL\nM  SCN  1   1 HT \nM  SAL   1  2  15  16\nM  SPA   1  1  15\nM  SDI   1  4    6.1568   -5.7812    6.1568   -4.9412\nM  SDI   1  4    6.9968   -4.9412    6.9968   -5.7812\nM  SMT   1 2\nM  END",
        "smiles": "C(C(=O)[O-])NCP(=O)([O-])[O-].C[S+](C)C.[H+].[H+]",
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}