
// 113.  C8H14N2O5S Negative
219.045 3329.91
249.053 983.71
51.6356 118.6
219.218 114.01
219.185 109.011
106.974 104.25
79.9591 98.2893
249.129 94.0909
219.356 75.4321
250.053 75.05
219.258 67.125
100.596 65.0801
220.036 64.3333
249.217 63.5
219.3 62.4556
219.404 61.7284
191.054 61.5956
256.285 51.6576
219.777 47.7601
219.435 46.75
80.9682 45.625
219.569 45.3393
250.155 45.1157
1652.3 42.8893
159.038 42.5
219.506 42.0714
158.096 42.0363
219.982 40.1571
314.978 39.6814
221.762 37.6806
220.662 37.2269
853.073 36.1008
222.004 35.4803
219.636 35.3603
219.941 35.2457
191.726 35.1875
743.936 35.0667
734.234 35.0043
677.369 34.8182
51.5268 34.2269
220.361 34.
1100.22 33.5682
1368.42 33.4167
1437.53 33.2269
154.252 33.1406
166.7 33.1118
156.681 33.045
892.589 33.0208
897.352 33.0139
1234.95 33.005
334.39 33.
310.379 32.8523
611.704 32.2457
269.852 32.1078
219.702 31.3491
598.078 31.3266
217.143 31.3214
1170.86 31.1078
362.671 31.0179
1219.48 31.0054
750.208 30.6544
432.262 30.4083
43.9483 30.3393
791.436 30.2269
79.9818 30.2
1499.16 30.1838
888.263 30.1157
250.634 30.0227
128.172 30.
120.539 29.7961
642.089 29.5329
196.715 29.3491
1028.43 29.338
149.551 29.338
419.316 29.1607
1648.88 29.125
646.775 29.0388
1468.19 29.0208
252.123 29.0192
1440.13 29.0167
566.972 29.
70.4684 29.
221.65 28.125
299.763 28.1157
225.445 28.0625
89.9564 28.045
42.7352 28.0321
80.0832 28.0167
1524.13 28.006
978.115 28.0046
249.568 27.75
177.02 27.5602
1190.01 27.4
683.947 27.2917
1307.14 27.2308
305.543 27.2269
554.259 27.225
277.661 27.225
817.628 27.2045
1439.85 27.1875
138.067 27.1488
1130.99 27.125
64.6938 27.125
108.821 27.0417
1165.5 27.0388
1495.86 27.0357
508.892 27.006
334.582 27.006
1678.7 27.005
1414.21 27.0043
228.951 27.
111.499 26.962
1249.67 26.9423
625.181 26.8182
54.5251 26.7961
202.052 26.6944
1152.27 26.5714
1662.85 26.4808
1596.22 26.4712
671.479 26.3224
895.758 26.2663
119.368 26.2663
1638.86 26.0833
532.499 26.0592
53.9693 26.0536
1533.97 26.025
1160.69 26.0227
1413.09 26.0192
249.999 26.0074
94.5504 26.006
152.436 26.0054
793.161 26.005
1149.86 25.9013
676.898 25.7202
481.385 25.7202
1002.2 25.625
1347.86 25.5707
654.579 25.5208
274.955 25.5
843.486 25.4803
70.5229 25.4444
484.612 25.1429
1250.17 25.125
330.026 25.125
664.921 25.0833
481.3 25.0536
310.116 25.0489
68.4419 25.0489
153.861 25.045
1295.96 25.0054
1072.88 24.75
46.9267 24.5682
870.641 24.4803
365.32 24.4803
140.619 24.4083
202.551 24.3636
1502.71 24.3603
131.044 24.2917
41.1284 24.2813
660.305 24.225
411.401 24.225
1632.37 24.1645
1120.78 24.1488
1290.5 24.1359
117.927 24.125
707.274 24.1111
1450.5 24.0909
667.953 24.0833
308.575 24.0592
1670.92 24.0536
1262.75 24.0278
776.902 24.025
685.343 24.0074
51.6587 24.0066
1099.65 24.005
1182.43 23.8929
1462.68 23.8897
1102.06 23.8897
519.116 23.7961
248.116 23.5714
699.181 23.5329
1479.28 23.5313
490.239 23.5208
225.589 23.4803
1465.56 23.4712
1588.8 23.4464
220.088 23.4083
99.0452 23.4083
250.951 23.3333
107.034 23.3333
1473.87 23.3224
1054.62 23.3224
383.999 23.3224
378.35 23.1731
721.406 23.1645
1149.34 23.1488
896.049 23.0909
854.395 23.0833
805.731 23.075
222.821 23.075
376.847 23.0662
65.8182 23.0536
373.895 23.0489
1217.3 23.0313
1280.8 23.0278
1029.82 23.025
1313.88 23.0227
703.836 23.0227
856.875 23.0208
759.154 23.0066
292.517 23.006
87.5763 23.006
1606.34 23.
1186.46 23.
551.784 23.
278.025 23.
117.098 23.
249.436 22.8897
64.3107 22.8897
811.812 22.8409
350.719 22.7961
70.2038 22.7778
1336.38 22.7202
1046.74 22.7202
63.4061 22.7202
1353.12 22.6923
1201.73 22.675
42.6831 22.6576
141.728 22.6544
1689.08 22.625
1336.97 22.625
823.98 22.4821
1224.24 22.4808
1115.69 22.4803
793.859 22.4712
1483.09 22.4083
594.412 22.3636
949.789 22.3611
142.27 22.3603
1245. 22.3224
1137.26 22.2857
220.724 22.225
279. 22.1875
149.851 22.1875
817.056 22.1429
1580.28 22.1359
642.138 22.1136
62.655 22.1
510.794 22.0489
148.003 22.0417
1159.81 22.0278
250.788 22.0278
77.5002 22.025
1476.07 22.0227
704.835 22.0083
74.9745 22.0083
267.121 22.0066
238.337 22.006
142.976 22.006
62.6324 22.006
753.278 22.
674.025 21.9
324.701 21.9
1463.18 21.8897
259.042 21.875
1608.9 21.7961
1063.57 21.7961
551.827 21.7961
223.024 21.7961
583.316 21.7813
1012.97 21.75
1595.28 21.6944
1000.54 21.6544
1463.97 21.625
219.73 21.5714
258.384 21.5682
1012.02 21.5329
1348.37 21.5313
295.342 21.5313
1507.36 21.4821
997.449 21.4444
1567.74 21.4083
56.1371 21.4
46.3242 21.4
1178.69 21.3603
255.759 21.2857
296.163 21.25
150.12 21.25
899.657 21.2404
109.853 21.2404
1327.1 21.2083
107.26 21.2083
725.891 21.2045
1259.45 21.1838
556.155 21.1429
939.454 21.125
201.212 21.125
113.266 21.125
1608.16 21.1111
131.266 21.0909
442.117 21.0313
51.7824 21.0278
1043.73 21.025
616.443 21.025
583.149 21.0083
1362.83 21.0074
1227.83 21.0074
495.631 21.0074
255.427 21.0074
976.843 21.0066
1426.39 21.
1007.36 21.
833.064 21.
492.448 21.
393.92 21.
189.653 21.
148.871 21.
1141.97 20.9185
987.303 20.8929
1201.42 20.8182
832.339 20.7961
91.4997 20.7961
668.137 20.7778
229.785 20.6944
162.587 20.6944
1025.5 20.675
620.999 20.675
250.105 20.6667
570.983 20.625
54.4436 20.625
935.7 20.6
184.256 20.5329
430.016 20.5313
253.836 20.5208
434.43 20.4821
1027.13 20.4083
811.607 20.4083
1407.34 20.4
966.505 20.4
343.067 20.4
301.541 20.4
838.046 20.3603
102.729 20.3603
656.162 20.3333
776.65 20.2841
507.169 20.25
342.951 20.25
327.244 20.25
258.319 20.25
84.1273 20.2404
80.0485 20.225
102.869 20.2083
80.0114 20.2045
1494.91 20.1838
1061.5 20.1838
1038.9 20.1838
910.166 20.1838
662.663 20.1838
363.982 20.1838
255.902 20.1838
167.813 20.1838
476.748 20.1645
1312.47 20.1488
1268.66 20.125
574.847 20.125
266.89 20.125
42.1109 20.125
151.222 20.1111
413.634 20.1
200.794 20.075
109.115 20.075
212.786 20.0662
633.383 20.0592
100.955 20.0592
62.5282 20.0592
440.403 20.0417
234.207 20.0357
53.4274 20.0357
1396.83 20.0278
1012.65 20.0278
44.5822 20.0278
1341.58 20.025
688.931 20.025
101.555 20.025
682.406 20.0227
1607.1 20.0139
295.562 20.0083
1606.73 20.0074
887.308 20.0074
88.0648 20.0074
1643.29 20.006
1513.83 20.0054
475.648 20.
67.9215 20.
301.357 19.9205
102.38 19.9205
1684.15 19.8929
1326.04 19.7813
1116.65 19.7788
742.588 19.7788
534.863 19.7788
839.842 19.6944
231.289 19.6944
707.099 19.6544
1351.44 19.625
1321.54 19.625
1302.98 19.625
525.587 19.625
465.311 19.625
57.4383 19.625
961.687 19.5956
877.748 19.5714
111.051 19.5714
1356.68 19.5682
332.026 19.5
610.828 19.4803
561.532 19.4712
83.4069 19.4712
220.765 19.3636
484.4 19.3611
837.303 19.3603
687.866 19.3603
230.288 19.3603
1060.02 19.3224
141.684 19.3224
522.078 19.3214
426.535 19.3214
1332.49 19.2857
1640.92 19.2813
1105.64 19.2813
845.626 19.2813
461.782 19.2813
264.506 19.2813
57.0248 19.2813
53.8342 19.2813
286.271 19.2663
172.785 19.25
136.122 19.25
951.431 19.2426
515.569 19.225
527.973 19.2083
140.086 19.1838
756.088 19.1635
171.63 19.1635
1059.91 19.1429
156.3 19.1429
1205.17 19.125
893.655 19.125
738.851 19.125
53.9999 19.125
414.158 19.1111
370.525 19.1111
359.189 19.1111
1667.23 19.1023
1132.97 19.0662
118.456 19.0662
263.389 19.0592
60.4218 19.0592
51.3956 19.0592
882.979 19.0536
155.924 19.0417
49.0068 19.0417
368.927 19.0313
46.4292 19.0313
929.1 19.0278
343.715 19.0278
55.5247 19.0278
235.265 19.0139
250.37 19.0096
1281.94 19.0083
519.17 19.0083
1308.67 19.0074
656.895 19.0074
125.451 19.0074
430.914 19.006
363.894 19.0054
1089.39 19.
410.854 19.
1369.42 18.9205
209.612 18.8929
1678.33 18.8897
1464.87 18.8897
226.954 18.8897
1695.09 18.8
1539.73 18.7788
716.732 18.7788
507.636 18.7788
460.053 18.7788
384.264 18.7788
524.387 18.7202
630.879 18.6944
64.8558 18.6944
1050.93 18.5956
249.938 18.5714
768.045 18.5568
954.026 18.5329
953.602 18.5329
1035.28 18.5313
304.364 18.5
118.178 18.5
1050.62 18.4712
1255.98 18.4444
798.403 18.4083
205.415 18.4083
156.364 18.4083
639.395 18.4
783.839 18.375
761.167 18.375
233.872 18.375
1484.81 18.3611
1090.13 18.3603
981.736 18.3603
409.046 18.3603
110.092 18.3603
1230.56 18.3333
855.066 18.3224
800.649 18.3224
1563.13 18.3214
743.012 18.3214
309.489 18.3214
76.3853 18.3214
1243.03 18.2857
1084.77 18.2857
339.697 18.2857
511.168 18.2813
220.493 18.2813
1152.68 18.25
605.498 18.25
400.288 18.25
191.939 18.2404
213.037 18.225
897.969 18.2083
365.491 18.2083
1327.97 18.1838
1281.48 18.1645
1454.07 18.1635
566.841 18.1635
1153.46 18.1429
55.9141 18.1429
1172.27 18.125
1022.07 18.125
474.755 18.125
386.246 18.125
76.7681 18.125
44.2398 18.125
1345.5 18.1111
653.977 18.1111
1427.21 18.1
540.672 18.1
596.372 18.0865
222.213 18.0865
1407.75 18.075
666.783 18.075
426.821 18.075
1621.23 18.0662
1075.77 18.0662
916.363 18.0662
423.172 18.0662
393.963 18.0592
320.665 18.0592
156.997 18.05
1556.4 18.0417
1423.27 18.0357
774.827 18.0313
1218.58 18.0278
53.6624 18.0278
462.436 18.0096
818.451 18.0083
249.327 18.0083
248.757 18.0083
180.759 18.0083
56.9639 18.0083
1122.58 18.0074
623.475 18.0074
147.365 18.0074
1241.58 18.0066
551.381 18.0054
1493.95 18.
1417.25 18.
1145.28 18.
571.715 18.
514.945 18.
229.898 18.
194.082 18.
156.745 18.
41.793 18.
638.564 17.9205
180.282 17.9
50.9262 17.8929
665.663 17.8897
365.354 17.8
706.576 17.7961
545.401 17.7813
113.692 17.7813
1354.71 17.7788
471.195 17.7788
422.038 17.7788
959.759 17.6806
788.315 17.675
731.056 17.625
452.862 17.5714
80.4671 17.5714
1433.18 17.5568
1051.22 17.5
1001.99 17.5
194.268 17.5
166.223 17.5
79.8635 17.5
1437.39 17.4712
819.935 17.4712
459.432 17.4712
204.831 17.4083
1530.14 17.375
720.934 17.3611
1639.4 17.3603
1477.09 17.3603
378.786 17.3603
119.018 17.3603
709.242 17.3224
398.913 17.3224
1641.78 17.3214
533.199 17.2917
284.79 17.2917
922.101 17.2857
749.593 17.2857
1525.46 17.2841
1576.66 17.2813
285.853 17.2813
166.969 17.2813
1457.04 17.25
1257.5 17.25
371.485 17.25
226.409 17.25
864.453 17.2404
322.101 17.2404
571.374 17.2083
366.389 17.2083
718.668 17.2
1380.63 17.1838
733.8 17.1838
238.992 17.1838
124.044 17.1838
1682.86 17.1667
438.714 17.1645
203.595 17.1645
953.165 17.1635
58.5687 17.1635
1491.43 17.1429
974.856 17.1429
827.585 17.1429
746.517 17.1429
212.218 17.1429
520.302 17.125
493.911 17.125
481.5 17.125
296.649 17.125
139.456 17.125
1580.03 17.1111
1447.45 17.0865
454.023 17.0865
59.5784 17.0865
840.903 17.075
380.18 17.075
227.246 17.075
129.97 17.075
1213.9 17.0662
508.001 17.0662
86.3956 17.0662
1114.27 17.0592
441.61 17.0417
257.136 17.0417
307.901 17.0357
246.695 17.0357
1161.06 17.0313
906.056 17.0313
267.28 17.0313
84.774 17.0313
177.279 17.0278
290.678 17.0096
204.938 17.0096
1457.62 17.0083
980.302 17.0083
843.945 17.0083
260.191 17.0083
1067.1 17.0074
367.927 17.0074
275.699 17.0074
1286.49 17.0066
198.793 17.0066
1056.09 17.
653.537 17.
610.274 17.
486.036 17.
212.01 17.
205.899 17.
506.654 16.9205
439.911 16.8929
249.739 16.8929
224.017 16.8929
1460.41 16.8
130.575 16.8
1152.8 16.7813
1399.28 16.7788
470.419 16.7788
894.911 16.6806
1439.76 16.6667
1037.9 16.6667
1678.88 16.625
663.203 16.5956
535.634 16.5956
64.8095 16.5956
248.514 16.5714
181.451 16.5714
150.208 16.5714
102.29 16.5714
83.6422 16.5568
171.001 16.5
1644.24 16.4712
1552.41 16.4712
1190.2 16.4712
795.973 16.4712
791.352 16.4712
349.15 16.4712
266.464 16.4712
108.754 16.4712
102.95 16.4712
500.229 16.45
163.267 16.4444
279.7 16.4083
253.429 16.4083
120.988 16.4083
258.563 16.375
303.404 16.3603
124.006 16.3603
96.1111 16.3603
192.033 16.3472
250.918 16.3333
1048.16 16.3214
395.965 16.3214
1470.97 16.2917
747.305 16.2857
53.3121 16.2857
566.388 16.2841
1308.24 16.2813
233.787 16.2813
1013.75 16.25
656.653 16.25
1540.76 16.2404
773.714 16.2404
93.2619 16.2404
296.41 16.225
1427.07 16.2083
223.419 16.2083
814.351 16.2
224.594 16.1838
62.0987 16.1838
83.6798 16.1667
1044.68 16.1635
847.534 16.1635
387.795 16.1635
305.018 16.1635
172.69 16.1635
473.926 16.1429
1510.75 16.125
1154.93 16.125
493.421 16.125
378.462 16.125
55.2952 16.125
1679.29 16.1111
900.719 16.1111
697.846 16.1111
679.327 16.1111
117.075 16.1
1295.79 16.0865
903.697 16.0865
709.745 16.0865
380.482 16.0865
94.4114 16.0865
1550.11 16.075
1390.67 16.075
1330.21 16.075
901.166 16.075
849.696 16.075
106.764 16.075
931.931 16.0662
110.645 16.0592
109.515 16.05
93.0905 16.05
97.2489 16.0417
95.1495 16.0417
1558.83 16.0357
1358.6 16.0357
378.127 16.0357
149.634 16.0357
852.856 16.0313
818.053 16.0313
953.459 16.0278
777.78 16.0278
140.419 16.0278
1638.74 16.0114
945.093 16.0096
1131.89 16.0083
853.358 16.0083
672.688 16.0083
590.944 16.0083
424.942 16.0083
402.387 16.0083
1420.2 16.0074
170.399 16.0066
1065.16 16.
1033.56 16.
1017.85 16.
899.825 16.
618.265 16.
321.846 16.
128.031 16.
622.111 15.9205
688.079 15.8929
614.301 15.8929
452.027 15.8929
41.4982 15.8929
620.291 15.8897
117.554 15.8897
517.53 15.8
238.209 15.8
112.72 15.8
55.9593 15.8
48.7553 15.8
1315.04 15.7813
375.649 15.7813
367.095 15.7788
141.631 15.7788
272.854 15.675
348.465 15.6667
265.678 15.6667
320.022 15.5568
73.2323 15.5568
70.0325 15.5568
1056.24 15.5
1246. 15.4712
855.397 15.4712
155.327 15.4712
80.4365 15.4712
1138.74 15.4083
906.649 15.4083
689.73 15.4083
203.147 15.4083
1265.97 15.375
853.673 15.375
738.35 15.375
461.904 15.375
301.39 15.375
59.0911 15.375
1003.16 15.3603
950.313 15.3603
745.25 15.3603
610.583 15.3603
1500.98 15.3214
399.232 15.3214
386.189 15.3214
790.507 15.2857
555.321 15.2857
268.645 15.2857
248.935 15.2857
433.608 15.2841
1600.15 15.2813
1240.91 15.2813
58.8295 15.2813
1449.62 15.25
734.897 15.25
631.791 15.25
173.41 15.25
133.423 15.25
84.041 15.25
957.034 15.2404
1176.3 15.2083
731.118 15.2083
209.888 15.2083
150.581 15.2083
70.7646 15.2083
480.116 15.2
340.58 15.2
1498.76 15.1838
1143.58 15.1838
941.328 15.1838
731.582 15.1838
129.441 15.1838
1565.74 15.1667
1527.24 15.1667
81.8507 15.1667
1053.79 15.1645
667.529 15.1635
52.3212 15.1635
398.329 15.1429
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1097.22 15.
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131.361 15.
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1053.16 14.9205
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896.709 12.
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399.474 12.
395.836 12.
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153.034 12.
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42.2572 12.
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327.082 11.
139.095 11.
124.83 11.
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686.918 10.
545.264 10.
529.581 10.
439.362 10.
368.356 10.
203.538 10.
201.354 10.
99.7101 10.

