
// 129.  C8H16N2O5S Negative
251.07 9227.07
79.9588 775.945
251.203 405.524
252.075 333.364
251.287 223.532
106.987 168.288
251.832 163.013
251.626 149.238
80.9648 147.883
251.394 142.524
251.53 117.564
223.068 112.723
71.8669 89.5734
252.297 87.3224
252.237 84.7788
251.458 84.6125
251.925 84.1985
251.754 84.0036
251.575 83.8897
193.065 77.6694
252.15 73.4464
252.349 73.2367
251.883 68.6955
251.963 60.2917
253.747 58.5652
80.0267 55.1424
150.021 55.0417
291.066 51.5625
634.573 50.0139
80.0483 48.0833
136.003 45.5707
224.071 45.0304
251.683 43.3333
253.808 41.3676
1520.68 40.375
258.006 40.1324
233.056 39.8897
252.981 39.125
252.488 39.0662
100.062 38.5
122.77 38.4556
1328.93 38.4464
253.663 38.0714
108.995 38.0066
970.364 37.9013
255.862 35.9013
632.259 35.1078
221.063 35.0208
41.9155 35.0036
450.74 34.375
318.635 34.375
257.096 34.2841
235.989 33.5208
81.0432 33.4545
658.335 33.2893
271.949 33.225
256.163 32.8182
222.957 32.6429
255.455 32.405
1095.3 32.375
1029.95 32.35
368.554 32.25
88.0701 32.245
130.254 32.125
253.389 32.
1067.89 31.7656
187.117 31.4083
177.547 31.1653
250.308 31.125
809.018 31.025
754.063 31.0043
91.5119 31.0038
1609.69 30.8182
410.639 30.645
1658.11 30.5602
925.745 30.5577
1215.79 30.4083
253.02 30.375
63.9501 30.1875
558.61 30.1118
91.9727 30.0417
832.263 29.8929
1112.85 29.3077
880.732 29.3077
361.615 29.2857
206.867 29.2426
1203.71 29.1488
922.267 29.045
1177.75 29.
824.142 29.
73.8371 28.9185
472.145 28.875
252.671 28.875
260.013 28.675
304.635 28.6713
1206.11 28.4808
439.687 28.4464
751.866 28.2813
1494.63 28.25
1676.05 28.2045
169.056 28.1359
466.337 28.0833
957.052 28.0046
1392.29 27.9013
995.62 27.8182
105.329 27.7961
627.767 27.7778
253.105 27.7202
374.819 27.6875
368.756 27.5208
274.172 27.4464
1127.81 27.4402
608.788 27.4402
718.728 27.4083
852.79 27.3636
286.929 27.1111
403.18 27.0489
560.432 26.9423
131.8 26.9423
368.488 26.7284
110.845 26.605
185.393 26.4821
126.127 26.4464
80.4395 26.4083
1627.74 26.4
139.219 26.3636
674.969 26.3611
491.147 26.3611
213.506 26.3333
421.371 26.3077
805.826 26.2663
252.432 26.25
264.533 26.2045
82.5009 26.2045
136.985 26.1359
81.0223 26.125
1695.74 26.1136
1356.79 26.1136
1005.57 26.0833
975.267 26.0833
90.9936 26.
316.882 25.9698
472.945 25.962
1133.56 25.8897
649.148 25.7961
858.277 25.7778
253.901 25.75
916.753 25.6544
350.005 25.6544
44.6995 25.6544
945.141 25.5956
195.152 25.5208
50.9136 25.4545
714.258 25.445
113.397 25.4444
346.002 25.3333
53.5328 25.3333
1584.62 25.3224
336.645 25.2813
138.088 25.25
1127.08 25.2083
218.244 25.1875
764.536 25.1488
44.5202 25.1118
1096.77 25.0833
252.759 25.0833
1037.71 25.0662
554.748 25.0662
235.08 25.0417
902.015 25.025
121.383 25.0083
377.927 25.0074
1641.73 25.006
258.872 25.006
743.061 25.0054
1019.57 25.
812.148 25.
346.426 24.7961
336.9 24.75
1132.67 24.7202
899.672 24.6576
259.511 24.6
262.189 24.5956
196.235 24.5
1063.89 24.4821
411.936 24.4821
486.837 24.4803
42.4884 24.4402
158.651 24.4
1334.48 24.3393
480.386 24.3393
739.177 24.2917
267.528 24.2727
810.826 24.2663
1248.81 24.25
77.1284 24.2308
388.184 24.2083
306.976 24.1488
42.1607 24.1359
853.561 24.1136
664.492 24.1111
724.07 24.0909
257.491 24.0536
255.583 24.0536
1042.32 24.0227
657.703 24.0083
47.442 24.0074
1656.85 24.
677.421 24.
103.534 23.845
474.341 23.7202
844.845 23.6576
140.399 23.605
1414.33 23.5714
1571.12 23.5707
100.034 23.5625
265.182 23.5313
80.7697 23.5313
1028.54 23.5208
867.844 23.5208
305.93 23.4803
808.379 23.4444
552.818 23.4083
80.4687 23.4083
515.153 23.405
1070.12 23.4
252.824 23.3224
425.561 23.2857
906.641 23.25
253.999 23.25
1005.92 23.2426
319.835 23.225
275.987 23.225
60.1164 23.225
1104.36 23.1667
1604.78 23.1645
1108.94 23.1645
255.079 23.1488
204.653 23.1136
257.683 23.1118
136.27 23.1118
121.657 23.0833
981.969 23.0592
752.79 23.0536
614.325 23.0536
550.883 23.0489
509.513 23.0489
772.692 23.0278
315.943 23.0278
267.649 23.025
243.995 23.025
958.595 23.0192
845.261 23.0083
1378.84 23.0066
1414.44 23.
666.044 23.
980.99 22.9013
1620.83 22.8897
447.846 22.8182
307.56 22.8182
481.226 22.7961
83.6975 22.7961
62.7515 22.7961
347.119 22.7813
254.967 22.7813
594.586 22.7778
311.491 22.625
62.0679 22.625
55.0272 22.625
1377.67 22.5329
1247.07 22.5329
173.993 22.5329
1459.49 22.4083
721.817 22.3611
1215.16 22.3603
876.524 22.3603
191.21 22.3603
64.3358 22.3603
40.6599 22.3603
356.991 22.3393
419.164 22.2917
80.1502 22.245
1412.89 22.2269
1281.89 22.1645
767.336 22.1645
340.875 22.1645
56.1154 22.1645
320.306 22.1488
605.298 22.1429
99.2628 22.125
611.28 22.1118
1294.14 22.1111
1345.33 22.1
1253.6 22.075
100.088 22.075
276.346 22.0592
140.317 22.0592
280.619 22.0536
268.405 22.045
885.935 22.0417
234.743 22.0278
63.1325 22.0278
88.0382 22.025
1084.6 22.0074
358.289 22.0074
77.5409 22.0074
504.302 22.0066
45.6637 22.0066
563.941 22.
291.147 22.
111.848 22.
49.3549 22.
581.119 21.8897
315.712 21.8897
108.928 21.8897
50.2392 21.8897
339.07 21.8182
1595.7 21.8
1259.31 21.7961
935.603 21.7961
976.954 21.7813
833.168 21.7202
199.797 21.7202
508.282 21.675
152.081 21.6667
388.698 21.6544
85.4101 21.6
397.094 21.5956
220.687 21.5956
378.102 21.5714
893.119 21.5682
734.783 21.5313
1158.23 21.5
912.288 21.5
109.042 21.5
80.4228 21.4444
874.251 21.4402
670.621 21.4
836.802 21.3603
501.872 21.3603
268.502 21.3472
1150.2 21.3214
1123.42 21.3214
1252.83 21.2917
253.416 21.2813
203.351 21.2663
210.872 21.2426
780.895 21.2404
94.3826 21.2404
1150.14 21.225
685.298 21.225
1676.17 21.2083
1322.42 21.1645
617.339 21.1645
326.907 21.1635
180.196 21.1429
507.601 21.1359
654.825 21.125
263.221 21.125
170.376 21.125
854.297 21.1136
144.886 21.1111
763.47 21.1023
1110.6 21.1
234.655 21.1
223.137 21.1
1440.72 21.0662
924.879 21.0662
150.062 21.0662
133.792 21.0592
942.769 21.0536
519.434 21.0417
329.294 21.0417
154.808 21.0313
468.554 21.0278
256.765 21.025
1421.47 21.0227
452.889 21.0227
1149.85 21.0179
253.709 21.0096
822.74 21.0083
526.895 21.006
496.039 21.006
1014.67 21.
598.486 20.9
1189.75 20.8897
599.834 20.8897
344.13 20.8182
563.7 20.7813
92.1665 20.7813
318.051 20.7788
501.011 20.675
1362.13 20.5956
359.523 20.5714
464.582 20.5682
311.238 20.5329
226.186 20.5329
139.336 20.5329
1215.95 20.5
744.496 20.5
115.818 20.5
138.249 20.4821
595.975 20.4712
124.557 20.4545
317.995 20.4444
262.746 20.4083
71.1016 20.4083
626.683 20.3636
1540.68 20.3611
662.506 20.3611
662.591 20.3603
961.314 20.3393
835.93 20.3393
328.2 20.3393
269.325 20.2813
1576.29 20.2663
1262.58 20.2663
301.033 20.25
72.8033 20.225
83.3294 20.2083
1201.3 20.1838
817.314 20.1838
607.996 20.1838
183.496 20.1838
89.9609 20.1607
1553.45 20.1429
52.2881 20.125
376.915 20.1111
253.856 20.1023
172.176 20.1
568.323 20.0909
385.076 20.075
311.308 20.0662
179.268 20.0662
174.597 20.0662
1484.86 20.0592
486.352 20.0592
323.152 20.0592
1321.64 20.0417
255.546 20.0357
1299.67 20.0313
1394.91 20.0278
260.589 20.0278
256.967 20.0278
42.2202 20.0278
1556.91 20.0096
1535.72 20.0083
485.114 20.0083
421.786 20.0083
113.604 20.0083
324.441 20.0066
144.494 20.0066
854.144 20.006
58.1331 20.006
1276.46 20.
463.201 19.9
247.489 19.9
1032.24 19.8897
259.132 19.8897
1005.13 19.8
501.381 19.8
150.812 19.7788
1169.79 19.7778
257.633 19.7778
165.068 19.75
103.332 19.75
459.249 19.6944
432.664 19.6576
760.723 19.6544
467.48 19.6544
71.4478 19.6544
223.373 19.625
292.901 19.5956
243.351 19.5682
782.879 19.5568
981.72 19.5329
444.445 19.5329
481.531 19.5313
117.786 19.5313
1654.11 19.5
1624.45 19.5
917.457 19.5
889.836 19.4444
660.587 19.4444
600.716 19.4444
1554.3 19.4083
852.561 19.4083
1628.45 19.375
290.426 19.3393
254.887 19.3224
711.336 19.3214
285.959 19.3214
584.151 19.2917
1477.37 19.2813
956.813 19.25
182.384 19.25
161.398 19.25
601.077 19.2404
762.171 19.225
441.526 19.225
310.64 19.2083
259.074 19.2083
78.2947 19.2083
250.977 19.1667
1303.31 19.1645
403.986 19.1645
507.854 19.1635
1663.37 19.125
1327.81 19.125
784.216 19.125
153.074 19.125
45.4716 19.125
946.047 19.1118
113.448 19.1118
1531.85 19.1111
992.608 19.1111
566.945 19.1111
487.414 19.1111
363.742 19.1111
289.43 19.1111
116.624 19.1
1581.34 19.0865
970.193 19.075
587.617 19.075
324.4 19.075
1091.11 19.0662
336.058 19.0662
191.575 19.0662
994.622 19.0417
456.381 19.0417
255.797 19.0417
276.099 19.0313
219.677 19.0313
50.6349 19.0313
1256.72 19.0278
1183.16 19.0278
1013.23 19.0278
890.501 19.0278
527.776 19.025
1239.86 19.0227
302.985 19.0083
67.2281 19.0083
1479.57 19.0074
1397.99 19.0074
1102.38 19.0074
910.735 19.0074
273.393 19.0074
266.083 19.0074
720.747 19.006
1073.27 19.
1002.51 19.
483.174 19.
288.616 19.
94.0056 19.
73.2094 19.
863.858 18.9205
495.99 18.9
107.281 18.8897
99.6773 18.8897
107.063 18.8
687.46 18.7961
484.145 18.7961
421.596 18.7961
676.817 18.7813
172.761 18.7813
909.722 18.7778
995.824 18.7202
583.21 18.7202
54.9932 18.6944
505.914 18.675
261.804 18.6667
223.217 18.6667
311.032 18.625
198.609 18.5956
893.348 18.5313
884.381 18.5313
874.02 18.5313
45.9872 18.5313
968.299 18.4712
79.2591 18.4712
1450.52 18.4444
640.729 18.4444
369.534 18.4444
224.106 18.4444
234.377 18.4083
516.359 18.375
1412.51 18.3611
841.605 18.3611
41.7314 18.3611
1370.11 18.3603
473.316 18.3603
1352.17 18.3214
539.246 18.3214
1423.27 18.2813
1293.71 18.2813
1280.02 18.25
635.836 18.25
448.936 18.25
387.126 18.25
114.282 18.25
572.377 18.2426
143.149 18.2426
965.705 18.2404
253.472 18.225
836.455 18.2083
331.381 18.2083
325.69 18.2083
232.126 18.2083
81.4378 18.2083
1599.43 18.2
641.772 18.1838
1599.91 18.1635
312.112 18.1635
1341.22 18.125
492.521 18.125
360.2 18.125
1062.51 18.1118
938.889 18.1118
1527.79 18.1111
295.562 18.1111
180.32 18.1111
68.2243 18.1111
1396.04 18.1
1059.54 18.1
223.549 18.0865
106.846 18.0865
61.603 18.0865
686.377 18.075
316.973 18.075
271.407 18.075
1526.23 18.0662
577.771 18.0662
504.495 18.0662
252.606 18.0662
173.75 18.0662
1038.46 18.0536
220.356 18.05
876.786 18.0417
492.989 18.0417
741.313 18.0313
54.7804 18.0313
200.753 18.025
856.791 18.0096
621.445 18.0096
147.614 18.0096
1597.76 18.0083
885.141 18.0083
533.116 18.0083
324.307 18.0083
367.268 18.0074
332.727 18.0074
252.861 18.0074
1406.33 18.0066
761.254 18.0066
80.9264 18.0066
40.8872 18.0066
1189. 18.0054
856.875 18.
639.453 18.
1030.84 17.9205
195.892 17.9205
420.933 17.8929
307.686 17.8929
241.965 17.8929
1536.63 17.8897
147.562 17.8897
575.077 17.7961
1137.62 17.7788
379.377 17.7202
1453.62 17.6944
1288.28 17.6944
47.1353 17.6944
258.61 17.6806
155.997 17.6806
995.501 17.675
1050.27 17.6667
1062.15 17.625
550.051 17.625
1313.42 17.5956
203.973 17.5956
398.648 17.5714
499.341 17.5625
180.883 17.5329
300.938 17.5313
114.949 17.5313
69.9977 17.5313
1381.34 17.5
504.587 17.5
216.652 17.5
123.497 17.5
80.1066 17.5
506.188 17.45
103.306 17.4444
58.8299 17.4444
1394.59 17.4083
157.11 17.4083
113.302 17.4083
1125.53 17.375
753.463 17.375
270.005 17.3611
272.475 17.3603
157.984 17.3333
980.877 17.3214
521.189 17.3214
495.186 17.3214
430.592 17.3214
254.831 17.3214
200.371 17.3214
1138.42 17.2857
636.261 17.2857
329.126 17.2857
1661.71 17.2813
295.642 17.2813
1075.74 17.25
667.701 17.25
115.067 17.25
1312.1 17.2426
1414.83 17.2404
922.2 17.2404
987.541 17.2083
708.249 17.2083
575.022 17.2083
479.089 17.2083
534.56 17.2
1285.79 17.1838
1103.62 17.1838
186.307 17.1838
103.242 17.1838
1056.2 17.1667
254.237 17.1667
76.1342 17.1667
71.0831 17.1645
858.839 17.1429
542.098 17.1429
253.27 17.1429
240.073 17.1429
1496.18 17.125
928.384 17.125
275.019 17.125
97.5445 17.125
52.0593 17.125
1187.62 17.1111
528.802 17.0865
740.284 17.075
345.363 17.075
627.127 17.0662
367.532 17.0662
1065.4 17.0592
395.26 17.0592
49.9361 17.0592
1207.34 17.0417
1150.52 17.0417
92.6133 17.0417
80.6258 17.0417
753.843 17.0357
553.67 17.0357
379.577 17.0357
279.421 17.0357
1545.17 17.0313
541.525 17.0278
1657.39 17.0139
1443.33 17.0096
1266.49 17.0096
403.768 17.0083
134.031 17.0083
104.433 17.0083
249.873 17.0066
1542.95 17.
1324.26 17.
1203.11 17.
413.227 17.
301.859 17.
254.914 17.
252.528 17.
57.5602 17.
766.948 16.9205
451.508 16.9205
280.309 16.9205
731.323 16.8929
111.886 16.8897
1407.19 16.7961
1442.98 16.7813
934.349 16.7813
769.974 16.7813
281.714 16.7813
83.5995 16.75
1474.53 16.6944
1173.52 16.6806
828.648 16.6806
94.0589 16.6806
1124.85 16.675
81.5056 16.675
78.7068 16.6667
1009.32 16.5956
546.51 16.5956
1268.83 16.5714
835.244 16.5714
644.681 16.5714
288.863 16.5714
253.218 16.5714
1216.75 16.5568
850.543 16.5568
171.34 16.5568
98.9893 16.5568
55.4341 16.5568
602.167 16.5313
350.324 16.5313
1111.55 16.5
158.511 16.5
1447.84 16.4712
1076.4 16.4712
199.973 16.4712
235.36 16.45
240.429 16.4444
876.265 16.4083
632.322 16.4083
68.5909 16.4083
1679.59 16.375
1377.41 16.375
1492.38 16.3603
77.7126 16.3603
396.355 16.3224
651.607 16.3214
92.722 16.3214
71.6062 16.3214
306.451 16.2857
804.913 16.2841
289.896 16.2841
1357.17 16.2813
698.557 16.2813
598.905 16.2813
440.72 16.2813
1363.41 16.25
589.18 16.25
329.22 16.25
1416.98 16.2404
566.643 16.2404
1679.05 16.2083
868.13 16.2083
575.267 16.2083
464.693 16.2083
425.356 16.2083
254.21 16.2083
193.307 16.2083
169.749 16.2083
243.153 16.2
1186.46 16.1838
341.257 16.1667
297.08 16.1667
1314.76 16.1635
80.3112 16.1635
1001.62 16.125
307.81 16.1111
909.938 16.1023
552.146 16.1023
378.463 16.1023
1021.93 16.0865
454.976 16.0865
100.789 16.0865
1298.29 16.075
1116.46 16.0662
275.899 16.0662
54.4545 16.0662
263.158 16.0625
727.791 16.0417
535.816 16.0417
70.3635 16.0417
1550.83 16.0357
1037.93 16.0357
105.636 16.0357
611.461 16.0313
307.89 16.0313
235.946 16.0313
51.6879 16.0313
76.3402 16.0179
735.522 16.0114
1660.72 16.0096
1033.04 16.0096
471.571 16.0096
1298.97 16.0083
837.434 16.0083
598.82 16.0083
361.712 16.0083
590.383 16.0074
182.984 16.0074
983.64 16.
709.608 16.
609.154 16.
588.881 16.
308.886 16.
207.032 15.9205
879.293 15.8929
92.4113 15.8929
249.046 15.8
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1533.96 13.
1512.03 13.
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737.217 13.
641.156 13.
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483.967 13.
406.015 13.
389.196 13.
343.678 13.
215.885 13.
43.6484 13.
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1135.71 12.
933.4 12.
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793.515 12.
626.209 12.
371.667 12.
350.17 12.
261.987 12.
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878.77 10.625
214.7 10.625
861.924 10.5625
349.556 10.5625
232.184 10.5625
156.98 10.5625
1669.59 10.5568
938.748 10.5568
721.747 10.5568
720.532 10.5568
635.781 10.5568
275.206 10.5568
114.194 10.5568
712.066 10.4712
602.554 10.4712
983.068 10.45
968.888 10.45
688.437 10.45
142.355 10.45
759.148 10.4464
684.662 10.4464
538.627 10.4464
70.3349 10.4464
48.9199 10.4464
1272.88 10.375
725.743 10.375
435.23 10.375
127.773 10.375
1284.64 10.3472
974.406 10.3472
431.094 10.3472
425.696 10.3472
376.423 10.3472
249.476 10.3472
502.571 10.3333
1565.62 10.3214
1250.03 10.2841
722.746 10.2841
264.45 10.2841
208.332 10.2841
121.077 10.2841
86.748 10.2841
1687.25 10.25
1406.93 10.25
987.365 10.25
918.447 10.25
609.962 10.25
1170.76 10.2404
703.593 10.2404
258.503 10.2404
214.26 10.2404
1564.67 10.2
1510.89 10.2
849.513 10.2
790.773 10.2
635.259 10.2
415.116 10.2
372.489 10.2
300.041 10.2
161.842 10.2
67.4837 10.2
55.1119 10.2
1697.2 10.1667
745.515 10.1667
89.0733 10.1667
1029.05 10.1429
1603.52 10.125
1472. 10.125
1343.17 10.125
1294.44 10.125
731.536 10.125
665.098 10.125
257.196 10.125
221.906 10.125
205.148 10.125
49.989 10.125
1077.46 10.1023
1020.1 10.1023
708.677 10.1023
382.037 10.1023
90.5881 10.1023
1315.85 10.0865
1202.29 10.0865
424.481 10.0865
181.961 10.0833
149.038 10.0833
104.545 10.0833
125.073 10.0625
1666.66 10.05
1255.45 10.05
669.508 10.05
383.011 10.05
352.199 10.05
279.239 10.05
268.856 10.05
193.363 10.05
177.355 10.05
137.307 10.05
100.163 10.05
1463.62 10.0417
1299.28 10.0417
289.001 10.0417
277.013 10.0417
170.84 10.0417
128.706 10.0417
45.5786 10.0417
396.493 10.025
1236.48 10.0179
313.503 10.0179
265.372 10.0179
260.617 10.0179
1054.14 10.0139
1007.59 10.0139
966.96 10.0139
740.58 10.0139
258.291 10.0139
205.562 10.0139
830.469 10.0114
723.994 10.0114
691.459 10.0114
573.401 10.0114
292.929 10.0114
117.417 10.0114
334.506 10.0096
1082.3 10.0083
274.388 10.0083
1489.71 10.
1402.69 10.
1358.12 10.
1297.67 10.
1240.93 10.
1139.78 10.
1101.51 10.
1056.95 10.
1025.21 10.
942.523 10.
719.362 10.
708.814 10.
688.63 10.
389.575 10.
346.983 10.
346.114 10.
298.059 10.
259.859 10.
257.891 10.
242.828 10.
204.16 10.
198.782 10.
160.802 10.
140.046 10.
125.921 10.
120.786 10.
116.71 10.

