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        "molfile": "\n  Marvin  01132103562D          \n\n 23 22  0  0  0  0            999 V2000\n   17.2482   -7.0350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   17.9873   -7.4231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   17.9873   -8.2575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   18.6891   -8.6757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   18.6891   -9.5101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   19.3933   -9.9285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   20.0952   -9.5404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   20.7970   -9.9378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.0449   -9.1035    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   16.1558   -8.6850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   15.4075  -10.1842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   20.7970  -10.7651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.7677   -9.4637    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n   20.0860  -11.1626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.7584  -11.0859    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   16.4789   -9.8820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   19.3840  -10.7443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.4789  -10.7070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   17.6643   -9.9378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   18.1499   -9.9378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   18.6613  -11.1533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   17.2087  -11.1440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   17.9315  -10.7256    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n  2  1  1  0  0  0  0\n  3  2  1  0  0  0  0\n  4  3  1  0  0  0  0\n  5  4  1  0  0  0  0\n  6  5  1  0  0  0  0\n  7  6  1  0  0  0  0\n  8  7  1  0  0  0  0\n 12  8  1  0  0  0  0\n 13  9  1  0  0  0  0\n 13 10  2  0  0  0  0\n 13 11  2  0  0  0  0\n 14 12  1  0  0  0  0\n 16 13  1  0  0  0  0\n 17 14  1  0  0  0  0\n 18 15  1  0  0  0  0\n 18 16  1  0  0  0  0\n 21 17  1  0  0  0  0\n 22 18  1  0  0  0  0\n 23 19  1  0  0  0  0\n 23 20  1  0  0  0  0\n 23 21  1  0  0  0  0\n 23 22  1  0  0  0  0\nM  CHG  2   9  -1  23   1\nM  END",
        "smiles": "CCCCCCCCCCCC[N+](C)(C)CC(CS(=O)(=O)[O-])O",
        "formula": "C17H37NO4S",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "RACEMIC",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "351.5467",
        "optical_activity": "( + / - )",
        "references": [
          "1d2673c8-0fd9-48b3-96c3-dc559b438ea9",
          "6ffb2ae8-c775-4124-9f01-03a61628488a"
        ],
        "stereo_centers": 1
      },
      "unii": "176KKP31OZ"
    }
  ]
}