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tobigithub/AMG20121014-errors

Created October 17, 2012 02:55
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AMG20121014 error check (copy/paste into EXCEL or OO Calc)
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AMG20121014-errors
ID# global num formula AMG count formula AMG isomers AMG time [sec] CHECK CHECK Formula No. Isomers MOLGEN check formula check isomer num C H Br Cl F N O P S Si Exist Lewis Check SeniorMax DU # e- #Atoms LEWIS Sum H/C H/C OK N/C O/C P/C S/C NOPS Check HNOPS Probab accurate mass M M+1 M+2 M+3
1 2 2 C2 0 C2 2 0.33 TRUE TRUE C2 0 TRUE TRUE 2 0 0 0 0 0 0 0 0 0 NO YES YES 3 8 2 8 0.00 NO 0.00 0.00 0.00 0.00 YES NO 24.00000000 100.00 0.00 0.00 0.00
2 3 3 C2H2 1 C2H2 3 0.32 TRUE TRUE C2H2 1 TRUE TRUE 2 2 0 0 0 0 0 0 0 0 YES YES YES 2 10 4 10 1.00 YES 0.00 0.00 0.00 0.00 YES YES 26.01564920 100.00 0.00 0.00 0.00
3 4 4 C2H4 1 C2H4 4 0.32 TRUE TRUE C2H4 1 TRUE TRUE 2 4 0 0 0 0 0 0 0 0 YES YES YES 1 12 6 12 2.00 YES 0.00 0.00 0.00 0.00 YES YES 28.03129840 100.00 0.00 0.00 0.00
4 5 5 CH2O 1 CH2O 5 0.32 TRUE TRUE CH2O 1 TRUE TRUE 1 2 0 0 0 0 1 0 0 0 YES YES YES 1 12 4 8 2.00 YES 0.00 1.00 0.00 0.00 YES YES 30.01056420 100.00 1.15 0.21 0.00
5 6 6 C2H6 1 C2H6 6 0.33 TRUE TRUE C2H6 1 TRUE TRUE 2 6 0 0 0 0 0 0 0 0 YES YES YES 0 14 8 14 3.00 YES 0.00 0.00 0.00 0.00 YES YES 30.04694760 100.00 0.00 0.00 0.00
6 7 7 CH4O 1 CH4O 7 0.33 TRUE TRUE CH4O 1 TRUE TRUE 1 4 0 0 0 0 1 0 0 0 NO YES YES 0 14 6 10 4.00 YES 0.00 1.00 0.00 0.00 YES NO 32.02621340 100.00 1.18 0.21 0.00
7 8 8 C3 1 C3 8 0.47 TRUE TRUE C3 1 TRUE TRUE 3 0 0 0 0 0 0 0 0 0 NO YES YES 4 12 3 12 0.00 NO 0.00 0.00 0.00 0.00 YES NO 36.00000000 100.00 3.24 0.04 0.00
8 9 9 C3H2 2 C3H2 9 0.47 TRUE TRUE C3H2 2 TRUE TRUE 3 2 0 0 0 0 0 0 0 0 YES YES YES 3 14 5 14 0.67 YES 0.00 0.00 0.00 0.00 YES YES 38.01564920 100.00 3.27 0.04 0.00
9 10 10 C2O 1 C2O 10 0.37 TRUE TRUE C2O 1 TRUE TRUE 2 0 0 0 0 0 1 0 0 0 NO YES YES 3 14 3 10 0.00 NO 0.00 0.50 0.00 0.00 YES NO 39.99491500 100.00 2.20 0.22 0.00
10 11 11 C3H4 3 C3H4 11 0.45 TRUE TRUE C3H4 3 TRUE TRUE 3 4 0 0 0 0 0 0 0 0 YES YES YES 2 16 7 16 1.33 YES 0.00 0.00 0.00 0.00 YES YES 40.03129840 100.00 3.30 0.04 0.00
11 12 12 C2H2O 3 C2H2O 12 0.37 TRUE TRUE C2H2O 3 TRUE TRUE 2 2 0 0 0 0 1 0 0 0 YES YES YES 2 16 5 12 1.00 YES 0.00 0.50 0.00 0.00 YES YES 42.01056420 100.00 2.23 0.22 0.00
12 13 13 C3H6 2 C3H6 13 0.50 TRUE TRUE C3H6 2 TRUE TRUE 3 6 0 0 0 0 0 0 0 0 YES YES YES 1 18 9 18 2.00 YES 0.00 0.00 0.00 0.00 YES YES 42.04694760 100.00 3.33 0.04 0.00
13 14 14 CO2 1 CO2 14 0.36 TRUE TRUE CO2 1 TRUE TRUE 1 0 0 0 0 0 2 0 0 0 NO YES YES 2 16 3 8 0.00 NO 0.00 2.00 0.00 0.00 YES NO 43.98983000 100.00 1.16 0.41 0.00
14 15 15 C2H4O 3 C2H4O 15 0.36 TRUE TRUE C2H4O 3 TRUE TRUE 2 4 0 0 0 0 1 0 0 0 YES YES YES 1 18 7 14 2.00 YES 0.00 0.50 0.00 0.00 YES YES 44.02621340 100.00 2.26 0.22 0.00
15 16 16 C3H8 1 C3H8 16 0.55 TRUE TRUE C3H8 1 TRUE TRUE 3 8 0 0 0 0 0 0 0 0 YES YES YES 0 20 11 20 2.67 YES 0.00 0.00 0.00 0.00 YES YES 44.06259680 100.00 3.36 0.04 0.00
16 17 17 CH2O2 2 CH2O2 17 0.36 TRUE TRUE CH2O2 2 TRUE TRUE 1 2 0 0 0 0 2 0 0 0 NO YES YES 1 18 5 10 2.00 YES 0.00 2.00 0.00 0.00 YES NO 46.00547920 100.00 1.19 0.41 0.00
17 18 18 C2H6O 1 C2H6O 18 0.37 TRUE TRUE C2H6O 2 TRUE FALSE 2 6 0 0 0 0 1 0 0 0 YES YES YES 0 20 9 16 3.00 YES 0.00 0.50 0.00 0.00 YES YES 46.04186260 100.00 2.29 0.22 0.00
18 19 19 CH4O2 2 CH4O2 19 0.35 TRUE TRUE CH4O2 2 TRUE TRUE 1 4 0 0 0 0 2 0 0 0 NO YES YES 0 20 7 12 4.00 YES 0.00 2.00 0.00 0.00 YES NO 48.02112840 100.00 1.22 0.41 0.00
19 20 20 C4 3 C4 20 1.01 TRUE TRUE C4 3 TRUE TRUE 4 0 0 0 0 0 0 0 0 0 NO YES YES 5 16 4 16 0.00 NO 0.00 0.00 0.00 0.00 YES NO 48.00000000 100.00 4.33 0.07 0.00
20 21 21 C4H2 7 C4H2 21 0.67 TRUE TRUE C4H2 7 TRUE TRUE 4 2 0 0 0 0 0 0 0 0 YES YES YES 4 18 6 18 0.50 YES 0.00 0.00 0.00 0.00 YES YES 50.01564920 100.00 4.36 0.07 0.00
21 22 22 C3O 2 C3O 22 0.71 TRUE TRUE C3O 2 TRUE TRUE 3 0 0 0 0 0 1 0 0 0 NO YES YES 4 18 4 14 0.00 NO 0.00 0.33 0.00 0.00 YES NO 51.99491500 100.00 3.28 0.24 0.01
22 23 23 C4H4 11 C4H4 23 0.69 TRUE TRUE C4H4 11 TRUE TRUE 4 4 0 0 0 0 0 0 0 0 YES YES YES 3 20 8 20 1.00 YES 0.00 0.00 0.00 0.00 YES YES 52.03129840 100.00 4.39 0.07 0.00
23 24 24 C3H2O 9 C3H2O 24 0.61 TRUE TRUE C3H2O 9 TRUE TRUE 3 2 0 0 0 0 1 0 0 0 YES YES YES 3 20 6 16 0.67 YES 0.00 0.33 0.00 0.00 YES YES 54.01056420 100.00 3.31 0.24 0.01
24 25 25 C4H6 9 C4H6 25 0.69 TRUE TRUE C4H6 9 TRUE TRUE 4 6 0 0 0 0 0 0 0 0 YES YES YES 2 22 10 22 1.50 YES 0.00 0.00 0.00 0.00 YES YES 54.04694760 100.00 4.42 0.07 0.00
25 26 26 C2O2 3 C2O2 26 0.48 TRUE TRUE C2O2 3 TRUE TRUE 2 0 0 0 0 0 2 0 0 0 NO YES YES 3 20 4 12 0.00 NO 0.00 1.00 0.00 0.00 YES NO 55.98983000 100.00 2.24 0.42 0.01
26 27 27 C3H4O 12 C3H4O 27 0.61 TRUE TRUE C3H4O 13 TRUE FALSE 3 4 0 0 0 0 1 0 0 0 YES YES YES 2 22 8 18 1.33 YES 0.00 0.33 0.00 0.00 YES YES 56.02621340 100.00 3.34 0.24 0.01
27 28 28 C4H8 5 C4H8 28 0.65 TRUE TRUE C4H8 5 TRUE TRUE 4 8 0 0 0 0 0 0 0 0 YES YES YES 1 24 12 24 2.00 YES 0.00 0.00 0.00 0.00 YES YES 56.06259680 100.00 4.45 0.08 0.00
28 29 29 C2H2O2 9 C2H2O2 29 0.47 TRUE TRUE C2H2O2 9 TRUE TRUE 2 2 0 0 0 0 2 0 0 0 YES YES YES 2 22 6 14 1.00 YES 0.00 1.00 0.00 0.00 YES YES 58.00547920 100.00 2.27 0.43 0.01
29 30 30 C3H6O 8 C3H6O 30 0.59 TRUE TRUE C3H6O 9 TRUE FALSE 3 6 0 0 0 0 1 0 0 0 YES YES YES 1 24 10 20 2.00 YES 0.00 0.33 0.00 0.00 YES YES 58.04186260 100.00 3.37 0.24 0.01
30 31 31 C4H10 2 C4H10 31 0.66 TRUE TRUE C4H10 2 TRUE TRUE 4 10 0 0 0 0 0 0 0 0 YES YES YES 0 26 14 26 2.50 YES 0.00 0.00 0.00 0.00 YES YES 58.07824600 100.00 4.48 0.08 0.00
31 32 32 CO3 1 CO3 32 0.41 TRUE TRUE CO3 1 TRUE TRUE 1 0 0 0 0 0 3 0 0 0 NO YES YES 2 22 4 10 0.00 NO 0.00 3.00 0.00 0.00 YES NO 59.98474500 100.00 1.20 0.62 0.01
32 33 33 C2H4O2 8 C2H4O2 33 0.46 TRUE TRUE C2H4O2 10 TRUE FALSE 2 4 0 0 0 0 2 0 0 0 YES YES YES 1 24 8 16 2.00 YES 0.00 1.00 0.00 0.00 YES YES 60.02112840 100.00 2.30 0.43 0.01
33 34 34 C3H8O 2 C3H8O 34 0.61 TRUE TRUE C3H8O 3 TRUE FALSE 3 8 0 0 0 0 1 0 0 0 YES YES YES 0 26 12 22 2.67 YES 0.00 0.33 0.00 0.00 YES YES 60.05751180 100.00 3.40 0.25 0.01
34 35 35 C5 6 C5 35 1.74 TRUE TRUE C5 6 TRUE TRUE 5 0 0 0 0 0 0 0 0 0 NO YES YES 6 20 5 20 0.00 NO 0.00 0.00 0.00 0.00 YES NO 60.00000000 100.00 5.41 0.12 0.00
35 36 36 CH2O3 4 CH2O3 36 0.41 TRUE TRUE CH2O3 4 TRUE TRUE 1 2 0 0 0 0 3 0 0 0 NO YES YES 1 24 6 12 2.00 YES 0.00 3.00 0.00 0.00 YES NO 62.00039420 100.00 1.23 0.62 0.01
36 37 37 C2H6O2 3 C2H6O2 37 0.47 TRUE TRUE C2H6O2 5 TRUE FALSE 2 6 0 0 0 0 2 0 0 0 YES YES YES 0 26 10 18 3.00 YES 0.00 1.00 0.00 0.00 YES YES 62.03677760 100.00 2.33 0.43 0.01
37 38 38 C5H2 21 C5H2 38 1.83 TRUE TRUE C5H2 21 TRUE TRUE 5 2 0 0 0 0 0 0 0 0 YES YES YES 5 22 7 22 0.40 YES 0.00 0.00 0.00 0.00 YES YES 62.01564920 100.00 5.44 0.12 0.00
38 39 39 CH4O3 3 CH4O3 39 0.41 TRUE TRUE CH4O3 3 TRUE TRUE 1 4 0 0 0 0 3 0 0 0 NO YES YES 0 26 8 14 4.00 YES 0.00 3.00 0.00 0.00 YES NO 64.01604340 100.00 1.26 0.62 0.01
39 40 40 C4O 6 C4O 40 1.11 TRUE TRUE C4O 7 TRUE FALSE 4 0 0 0 0 0 1 0 0 0 NO YES YES 5 22 5 18 0.00 NO 0.00 0.25 0.00 0.00 YES NO 63.99491500 100.00 4.36 0.28 0.01
40 41 41 C5H4 40 C5H4 41 1.82 TRUE TRUE C5H4 40 TRUE TRUE 5 4 0 0 0 0 0 0 0 0 YES YES YES 4 24 9 24 0.80 YES 0.00 0.00 0.00 0.00 YES YES 64.03129840 100.00 5.47 0.12 0.00
41 42 42 C4H2O 30 C4H2O 42 1.07 TRUE TRUE C4H2O 36 TRUE FALSE 4 2 0 0 0 0 1 0 0 0 YES YES YES 4 24 7 20 0.50 YES 0.00 0.25 0.00 0.00 YES YES 66.01056420 100.00 4.39 0.28 0.01
42 43 43 C5H6 40 C5H6 43 1.74 TRUE TRUE C5H6 40 TRUE TRUE 5 6 0 0 0 0 0 0 0 0 YES YES YES 3 26 11 26 1.20 YES 0.00 0.00 0.00 0.00 YES YES 66.04694760 100.00 5.50 0.12 0.00
43 44 44 C3O2 7 C3O2 44 1.03 TRUE TRUE C3O2 7 TRUE TRUE 3 0 0 0 0 0 2 0 0 0 NO YES YES 4 24 5 16 0.00 NO 0.00 0.67 0.00 0.00 YES NO 67.98983000 100.00 3.32 0.45 0.01
44 45 45 C4H4O 54 C4H4O 45 1.04 TRUE TRUE C4H4O 62 TRUE FALSE 4 4 0 0 0 0 1 0 0 0 YES YES YES 3 26 9 22 1.00 YES 0.00 0.25 0.00 0.00 YES YES 68.02621340 100.00 4.42 0.28 0.01
45 46 46 C5H8 26 C5H8 46 1.64 TRUE TRUE C5H8 26 TRUE TRUE 5 8 0 0 0 0 0 0 0 0 YES YES YES 2 28 13 28 1.60 YES 0.00 0.00 0.00 0.00 YES YES 68.06259680 100.00 5.53 0.12 0.00
46 47 47 C3H2O2 32 C3H2O2 47 1.05 TRUE TRUE C3H2O2 34 TRUE FALSE 3 2 0 0 0 0 2 0 0 0 YES YES YES 3 26 7 18 0.67 YES 0.00 0.67 0.00 0.00 YES YES 70.00547920 100.00 3.35 0.45 0.01
47 48 48 C4H6O 43 C4H6O 48 1.04 TRUE TRUE C4H6O 55 TRUE FALSE 4 6 0 0 0 0 1 0 0 0 YES YES YES 2 28 11 24 1.50 YES 0.00 0.25 0.00 0.00 YES YES 70.04186260 100.00 4.45 0.28 0.01
48 49 49 C5H10 10 C5H10 49 1.82 TRUE TRUE C5H10 10 TRUE TRUE 5 10 0 0 0 0 0 0 0 0 YES YES YES 1 30 15 30 2.00 YES 0.00 0.00 0.00 0.00 YES YES 70.07824600 100.00 5.56 0.13 0.00
49 50 50 C2O3 5 C2O3 50 0.78 TRUE TRUE C2O3 5 TRUE TRUE 2 0 0 0 0 0 3 0 0 0 NO YES YES 3 26 5 14 0.00 NO 0.00 1.50 0.00 0.00 YES NO 71.98474500 100.00 2.28 0.63 0.01
50 51 51 C3H4O2 44 C3H4O2 51 1.32 TRUE TRUE C3H4O2 52 TRUE FALSE 3 4 0 0 0 0 2 0 0 0 YES YES YES 2 28 9 20 1.33 YES 0.00 0.67 0.00 0.00 YES YES 72.02112840 100.00 3.38 0.45 0.01
51 52 52 C4H8O 19 C4H8O 52 1.12 TRUE TRUE C4H8O 26 TRUE FALSE 4 8 0 0 0 0 1 0 0 0 YES YES YES 1 30 13 26 2.00 YES 0.00 0.25 0.00 0.00 YES YES 72.05751180 100.00 4.48 0.28 0.01
52 53 53 C5H12 3 C5H12 53 1.79 TRUE TRUE C5H12 3 TRUE TRUE 5 12 0 0 0 0 0 0 0 0 YES YES YES 0 32 17 32 2.40 YES 0.00 0.00 0.00 0.00 YES YES 72.09389520 100.00 5.59 0.13 0.00
53 54 54 C6 19 C6 54 3.63 TRUE TRUE C6 19 TRUE TRUE 6 0 0 0 0 0 0 0 0 0 NO YES YES 7 24 6 24 0.00 NO 0.00 0.00 0.00 0.00 YES NO 72.00000000 100.00 6.49 0.18 0.00
54 55 55 C2H2O3 17 C2H2O3 55 0.77 TRUE TRUE C2H2O3 20 TRUE FALSE 2 2 0 0 0 0 3 0 0 0 NO YES YES 2 28 7 16 1.00 YES 0.00 1.50 0.00 0.00 YES NO 74.00039420 100.00 2.31 0.63 0.01
55 56 56 C3H6O2 24 C3H6O2 56 1.09 TRUE TRUE C3H6O2 34 TRUE FALSE 3 6 0 0 0 0 2 0 0 0 YES YES YES 1 30 11 22 2.00 YES 0.00 0.67 0.00 0.00 YES YES 74.03677760 100.00 3.41 0.45 0.01
56 57 57 C4H10O 4 C4H10O 57 0.98 TRUE TRUE C4H10O 7 TRUE FALSE 4 10 0 0 0 0 1 0 0 0 YES YES YES 0 32 15 28 2.50 YES 0.00 0.25 0.00 0.00 YES YES 74.07316100 100.00 4.51 0.28 0.01
57 58 58 C6H2 85 C6H2 58 3.48 TRUE TRUE C6H2 85 TRUE TRUE 6 2 0 0 0 0 0 0 0 0 YES YES YES 6 26 8 26 0.33 YES 0.00 0.00 0.00 0.00 YES YES 74.01564920 100.00 6.52 0.18 0.00
58 59 59 CO4 2 CO4 59 0.51 TRUE TRUE CO4 2 TRUE TRUE 1 0 0 0 0 0 4 0 0 0 NO YES YES 2 28 5 12 0.00 NO 0.00 4.00 0.00 0.00 NO NO 75.97966000 100.00 1.23 0.82 0.01
59 60 60 C2H4O3 16 C2H4O3 60 0.84 TRUE TRUE C2H4O3 22 TRUE FALSE 2 4 0 0 0 0 3 0 0 0 NO YES YES 1 30 9 18 2.00 YES 0.00 1.50 0.00 0.00 YES NO 76.01604340 100.00 2.34 0.63 0.01
60 61 61 C3H8O2 6 C3H8O2 61 1.07 TRUE TRUE C3H8O2 11 TRUE FALSE 3 8 0 0 0 0 2 0 0 0 YES YES YES 0 32 13 24 2.67 YES 0.00 0.67 0.00 0.00 YES YES 76.05242680 100.00 3.44 0.45 0.01
61 62 62 C5O 18 C5O 62 2.35 TRUE TRUE C5O 21 TRUE FALSE 5 0 0 0 0 0 1 0 0 0 NO YES YES 6 26 6 22 0.00 NO 0.00 0.20 0.00 0.00 YES NO 75.99491500 100.00 5.45 0.32 0.01
62 63 63 C6H4 185 C6H4 63 3.49 TRUE TRUE C6H4 185 TRUE TRUE 6 4 0 0 0 0 0 0 0 0 YES YES YES 5 28 10 28 0.67 YES 0.00 0.00 0.00 0.00 YES YES 76.03129840 100.00 6.55 0.18 0.00
63 64 64 CH2O4 6 CH2O4 64 0.52 TRUE TRUE CH2O4 6 TRUE TRUE 1 2 0 0 0 0 4 0 0 0 NO YES YES 1 30 7 14 2.00 YES 0.00 4.00 0.00 0.00 NO NO 77.99530920 100.00 1.26 0.82 0.01
64 65 65 C2H6O3 5 C2H6O3 65 0.77 TRUE TRUE C2H6O3 10 TRUE FALSE 2 6 0 0 0 0 3 0 0 0 NO YES YES 0 32 11 20 3.00 YES 0.00 1.50 0.00 0.00 YES NO 78.03169260 100.00 2.37 0.63 0.01
65 66 66 C5H2O 121 C5H2O 66 2.29 TRUE TRUE C5H2O 151 TRUE FALSE 5 2 0 0 0 0 1 0 0 0 YES YES YES 5 28 8 24 0.40 YES 0.00 0.20 0.00 0.00 YES YES 78.01056420 100.00 5.48 0.33 0.01
66 67 67 C6H6 217 C6H6 67 3.46 TRUE TRUE C6H6 217 TRUE TRUE 6 6 0 0 0 0 0 0 0 0 YES YES YES 4 30 12 30 1.00 YES 0.00 0.00 0.00 0.00 YES YES 78.04694760 100.00 6.58 0.18 0.00
67 68 68 CH4O4 5 CH4O4 68 0.52 TRUE TRUE CH4O4 5 TRUE TRUE 1 4 0 0 0 0 4 0 0 0 NO YES YES 0 32 9 16 4.00 YES 0.00 4.00 0.00 0.00 NO NO 80.01095840 100.00 1.29 0.82 0.01
68 69 69 C4O2 22 C4O2 69 1.82 TRUE TRUE C4O2 28 TRUE FALSE 4 0 0 0 0 0 2 0 0 0 NO YES YES 5 28 6 20 0.00 NO 0.00 0.50 0.00 0.00 YES NO 79.98983000 100.00 4.40 0.48 0.02
69 70 70 C5H4O 241 C5H4O 70 2.44 TRUE TRUE C5H4O 318 TRUE FALSE 5 4 0 0 0 0 1 0 0 0 YES YES YES 4 30 10 26 0.80 YES 0.00 0.20 0.00 0.00 YES YES 80.02621340 100.00 5.51 0.33 0.01
70 71 71 C6H8 159 C6H8 71 3.49 TRUE TRUE C6H8 159 TRUE TRUE 6 8 0 0 0 0 0 0 0 0 YES YES YES 3 32 14 32 1.33 YES 0.00 0.00 0.00 0.00 YES YES 80.06259680 100.00 6.61 0.18 0.00
71 72 72 C4H2O2 131 C4H2O2 72 1.93 TRUE TRUE C4H2O2 163 TRUE FALSE 4 2 0 0 0 0 2 0 0 0 YES YES YES 4 30 8 22 0.50 YES 0.00 0.50 0.00 0.00 YES YES 82.00547920 100.00 4.43 0.49 0.02
72 73 73 C5H6O 249 C5H6O 73 2.28 TRUE TRUE C5H6O 337 TRUE FALSE 5 6 0 0 0 0 1 0 0 0 YES YES YES 3 32 12 28 1.20 YES 0.00 0.20 0.00 0.00 YES YES 82.04186260 100.00 5.54 0.33 0.01
73 74 74 C6H10 77 C6H10 74 3.51 TRUE TRUE C6H10 77 TRUE TRUE 6 10 0 0 0 0 0 0 0 0 YES YES YES 2 34 16 34 1.67 YES 0.00 0.00 0.00 0.00 YES YES 82.07824600 100.00 6.64 0.19 0.00
74 75 75 C3O3 15 C3O3 75 1.63 TRUE TRUE C3O3 16 TRUE FALSE 3 0 0 0 0 0 3 0 0 0 NO YES YES 4 30 6 18 0.00 NO 0.00 1.00 0.00 0.00 YES NO 83.98474500 100.00 3.36 0.66 0.02
75 76 76 C4H4O2 228 C4H4O2 76 1.84 TRUE TRUE C4H4O2 301 TRUE FALSE 4 4 0 0 0 0 2 0 0 0 YES YES YES 3 32 10 24 1.00 YES 0.00 0.50 0.00 0.00 YES YES 84.02112840 100.00 4.46 0.49 0.02
76 77 77 C5H8O 147 C5H8O 77 2.27 TRUE TRUE C5H8O 205 TRUE FALSE 5 8 0 0 0 0 1 0 0 0 YES YES YES 2 34 14 30 1.60 YES 0.00 0.20 0.00 0.00 YES YES 84.05751180 100.00 5.57 0.33 0.01
77 78 78 C6H12 25 C6H12 78 3.54 TRUE TRUE C6H12 25 TRUE TRUE 6 12 0 0 0 0 0 0 0 0 YES YES YES 1 36 18 36 2.00 YES 0.00 0.00 0.00 0.00 YES YES 84.09389520 100.00 6.67 0.19 0.00
78 79 79 C7 50 C7 79 18.00 TRUE TRUE C7 50 TRUE TRUE 7 0 0 0 0 0 0 0 0 0 NO YES YES 8 28 7 28 0.00 NO 0.00 0.00 0.00 0.00 YES NO 84.00000000 100.00 7.57 0.25 0.00
79 80 80 C3H2O3 85 C3H2O3 80 1.71 TRUE TRUE C3H2O3 98 TRUE FALSE 3 2 0 0 0 0 3 0 0 0 YES YES YES 3 32 8 20 0.67 YES 0.00 1.00 0.00 0.00 YES YES 86.00039420 100.00 3.39 0.66 0.02
80 81 81 C4H6O2 178 C4H6O2 81 1.89 TRUE TRUE C4H6O2 263 TRUE FALSE 4 6 0 0 0 0 2 0 0 0 YES YES YES 2 34 12 26 1.50 YES 0.00 0.50 0.00 0.00 YES YES 86.03677760 100.00 4.49 0.49 0.02
81 82 82 C5H10O 48 C5H10O 82 2.34 TRUE TRUE C5H10O 74 TRUE FALSE 5 10 0 0 0 0 1 0 0 0 YES YES YES 1 36 16 32 2.00 YES 0.00 0.20 0.00 0.00 YES YES 86.07316100 100.00 5.60 0.33 0.01
82 83 83 C6H14 5 C6H14 83 3.56 TRUE TRUE C6H14 5 TRUE TRUE 6 14 0 0 0 0 0 0 0 0 YES YES YES 0 38 20 38 2.33 YES 0.00 0.00 0.00 0.00 YES YES 86.10954440 100.00 6.70 0.19 0.00
83 84 84 C7H2 358 C7H2 84 18.31 TRUE TRUE C7H2 356 TRUE FALSE 7 2 0 0 0 0 0 0 0 0 YES YES YES 7 30 9 30 0.29 YES 0.00 0.00 0.00 0.00 YES YES 86.01564920 100.00 7.60 0.25 0.00
84 85 85 C2O4 8 C2O4 85 1.09 TRUE TRUE C2O4 10 TRUE FALSE 2 0 0 0 0 0 4 0 0 0 NO YES YES 3 32 6 16 0.00 NO 0.00 2.00 0.00 0.00 YES NO 87.97966000 100.00 2.32 0.84 0.02
85 86 86 C3H4O3 112 C3H4O3 86 1.65 TRUE TRUE C3H4O3 152 TRUE FALSE 3 4 0 0 0 0 3 0 0 0 YES YES YES 2 34 10 22 1.33 YES 0.00 1.00 0.00 0.00 YES YES 88.01604340 100.00 3.42 0.66 0.02
86 87 87 C4H8O2 67 C4H8O2 87 1.87 TRUE TRUE C4H8O2 122 TRUE FALSE 4 8 0 0 0 0 2 0 0 0 YES YES YES 1 36 14 28 2.00 YES 0.00 0.50 0.00 0.00 YES YES 88.05242680 100.00 4.52 0.49 0.02
87 88 88 C5H12O 8 C5H12O 88 2.23 TRUE TRUE C5H12O 14 TRUE FALSE 5 12 0 0 0 0 1 0 0 0 YES YES YES 0 38 18 34 2.40 YES 0.00 0.20 0.00 0.00 YES YES 88.08881020 100.00 5.63 0.33 0.01
88 89 89 C6O 50 C6O 89 9.11 TRUE TRUE C6O 85 TRUE FALSE 6 0 0 0 0 0 1 0 0 0 NO YES YES 7 30 7 26 0.00 NO 0.00 0.17 0.00 0.00 YES NO 87.99491500 100.00 6.53 0.38 0.02
89 90 90 C7H4 920 C7H4 90 18.19 TRUE TRUE C7H4 920 TRUE TRUE 7 4 0 0 0 0 0 0 0 0 YES YES YES 6 32 11 32 0.57 YES 0.00 0.00 0.00 0.00 YES YES 88.03129840 100.00 7.63 0.25 0.00
90 91 91 C2H2O4 33 C2H2O4 91 1.08 TRUE TRUE C2H2O4 41 TRUE FALSE 2 2 0 0 0 0 4 0 0 0 NO YES YES 2 34 8 18 1.00 YES 0.00 2.00 0.00 0.00 YES NO 89.99530920 100.00 2.35 0.84 0.02
91 92 92 C3H6O3 60 C3H6O3 92 1.62 TRUE TRUE C3H6O3 102 TRUE FALSE 3 6 0 0 0 0 3 0 0 0 YES YES YES 1 36 12 24 2.00 YES 0.00 1.00 0.00 0.00 YES YES 90.03169260 100.00 3.45 0.66 0.02
92 93 93 C4H10O2 13 C4H10O2 93 1.68 TRUE TRUE C4H10O2 28 TRUE FALSE 4 10 0 0 0 0 2 0 0 0 YES YES YES 0 38 16 30 2.50 YES 0.00 0.50 0.00 0.00 YES YES 90.06807600 100.00 4.55 0.49 0.02
93 94 94 C6H2O 475 C6H2O 94 8.89 TRUE TRUE C6H2O 738 TRUE FALSE 6 2 0 0 0 0 1 0 0 0 YES YES YES 6 32 9 28 0.33 YES 0.00 0.17 0.00 0.00 YES YES 90.01056420 100.00 6.56 0.39 0.02
94 95 95 C7H6 1,230 C7H6 95 17.86 TRUE TRUE C7H6 1,230 TRUE TRUE 7 6 0 0 0 0 0 0 0 0 YES YES YES 5 34 13 34 0.86 YES 0.00 0.00 0.00 0.00 YES YES 90.04694760 100.00 7.66 0.25 0.00
95 96 96 CO5 2 CO5 96 0.61 TRUE TRUE CO5 2 TRUE TRUE 1 0 0 0 0 0 5 0 0 0 NO YES YES 2 34 6 14 0.00 NO 0.00 5.00 0.00 0.00 NO NO 91.97457500 100.00 1.27 1.03 0.01
96 97 97 C2H4O4 31 C2H4O4 97 1.16 TRUE TRUE C2H4O4 48 TRUE FALSE 2 4 0 0 0 0 4 0 0 0 NO YES YES 1 36 10 20 2.00 YES 0.00 2.00 0.00 0.00 YES NO 92.01095840 100.00 2.38 0.84 0.02
97 98 98 C3H8O3 12 C3H8O3 98 1.62 TRUE TRUE C3H8O3 28 TRUE FALSE 3 8 0 0 0 0 3 0 0 0 YES YES YES 0 38 14 26 2.67 YES 0.00 1.00 0.00 0.00 YES YES 92.04734180 100.00 3.48 0.66 0.02
98 99 99 C5O2 70 C5O2 99 8.14 TRUE TRUE C5O2 98 TRUE FALSE 5 0 0 0 0 0 2 0 0 0 NO YES YES 6 32 7 24 0.00 NO 0.00 0.40 0.00 0.00 YES NO 91.98983000 100.00 5.48 0.53 0.02
99 100 100 C6H4O 1,196 C6H4O 100 9.43 TRUE TRUE C6H4O 1,823 TRUE FALSE 6 4 0 0 0 0 1 0 0 0 YES YES YES 5 34 11 30 0.67 YES 0.00 0.17 0.00 0.00 YES YES 92.02621340 100.00 6.59 0.39 0.02
100 101 101 C7H8 1,031 C7H8 101 17.95 TRUE TRUE C7H8 1,031 TRUE TRUE 7 8 0 0 0 0 0 0 0 0 YES YES YES 4 36 15 36 1.14 YES 0.00 0.00 0.00 0.00 YES YES 92.06259680 100.00 7.69 0.25 0.00
101 102 102 CH2O5 9 CH2O5 102 0.61 TRUE TRUE CH2O5 9 TRUE TRUE 1 2 0 0 0 0 5 0 0 0 NO YES YES 1 36 8 16 2.00 YES 0.00 5.00 0.00 0.00 NO NO 93.99022420 100.00 1.30 1.03 0.01
102 103 103 C2H6O4 10 C2H6O4 103 1.11 TRUE TRUE C2H6O4 20 TRUE FALSE 2 6 0 0 0 0 4 0 0 0 NO YES YES 0 38 12 22 3.00 YES 0.00 2.00 0.00 0.00 YES NO 94.02660760 100.00 2.41 0.84 0.02
103 104 104 C5H2O2 537 C5H2O2 104 7.85 TRUE TRUE C5H2O2 812 TRUE FALSE 5 2 0 0 0 0 2 0 0 0 YES YES YES 5 34 9 26 0.40 YES 0.00 0.40 0.00 0.00 YES YES 94.00547920 100.00 5.51 0.53 0.02
104 105 105 C6H6O 1,442 C6H6O 105 8.83 TRUE TRUE C6H6O 2,237 TRUE FALSE 6 6 0 0 0 0 1 0 0 0 YES YES YES 4 36 13 32 1.00 YES 0.00 0.17 0.00 0.00 YES YES 94.04186260 100.00 6.62 0.39 0.02
105 106 106 C7H10 575 C7H10 106 17.94 TRUE TRUE C7H10 575 TRUE TRUE 7 10 0 0 0 0 0 0 0 0 YES YES YES 3 38 17 38 1.43 YES 0.00 0.00 0.00 0.00 YES YES 94.07824600 100.00 7.72 0.26 0.00
106 107 107 CH4O5 6 CH4O5 107 0.62 TRUE TRUE CH4O5 6 TRUE TRUE 1 4 0 0 0 0 5 0 0 0 NO YES YES 0 38 10 18 4.00 YES 0.00 5.00 0.00 0.00 NO NO 96.00587340 100.00 1.33 1.03 0.01
107 108 108 C4O3 52 C4O3 108 4.86 TRUE TRUE C4O3 72 TRUE FALSE 4 0 0 0 0 0 3 0 0 0 NO YES YES 5 34 7 22 0.00 NO 0.00 0.75 0.00 0.00 YES NO 95.98474500 100.00 4.44 0.69 0.03
108 109 109 C5H4O2 1,148 C5H4O2 109 7.69 TRUE TRUE C5H4O2 1,821 TRUE FALSE 5 4 0 0 0 0 2 0 0 0 YES YES YES 4 36 11 28 0.80 YES 0.00 0.40 0.00 0.00 YES YES 96.02112840 100.00 5.54 0.54 0.02
109 110 110 C6H8O 1,031 C6H8O 110 9.19 TRUE TRUE C6H8O 1,623 TRUE FALSE 6 8 0 0 0 0 1 0 0 0 YES YES YES 3 38 15 34 1.33 YES 0.00 0.17 0.00 0.00 YES YES 96.05751180 100.00 6.65 0.39 0.02
110 111 111 C7H12 222 C7H12 111 17.97 TRUE TRUE C7H12 222 TRUE TRUE 7 12 0 0 0 0 0 0 0 0 YES YES YES 2 40 19 40 1.71 YES 0.00 0.00 0.00 0.00 YES YES 96.09389520 100.00 7.75 0.26 0.00
112 113 113 C4H2O3 403 C4H2O3 113 5.23 TRUE TRUE C4H2O3 551 TRUE FALSE 4 2 0 0 0 0 3 0 0 0 YES YES YES 4 36 9 24 0.50 YES 0.00 0.75 0.00 0.00 YES YES 98.00039420 100.00 4.47 0.69 0.03
113 114 114 C5H6O2 1,166 C5H6O2 114 7.70 TRUE TRUE C5H6O2 1,938 TRUE FALSE 5 6 0 0 0 0 2 0 0 0 YES YES YES 3 38 13 30 1.20 YES 0.00 0.40 0.00 0.00 YES YES 98.03677760 100.00 5.57 0.54 0.02
114 115 115 C6H10O 450 C6H10O 115 8.95 TRUE TRUE C6H10O 747 TRUE FALSE 6 10 0 0 0 0 1 0 0 0 YES YES YES 2 40 17 36 1.67 YES 0.00 0.17 0.00 0.00 YES YES 98.07316100 100.00 6.68 0.39 0.02
115 116 116 C7H14 56 C7H14 116 18.54 TRUE TRUE C7H14 56 TRUE TRUE 7 14 0 0 0 0 0 0 0 0 YES YES YES 1 42 21 42 2.00 YES 0.00 0.00 0.00 0.00 YES YES 98.10954440 100.00 7.78 0.26 0.00
117 118 118 C3O4 31 C3O4 118 4.18 TRUE TRUE C3O4 36 TRUE FALSE 3 0 0 0 0 0 4 0 0 0 NO YES YES 4 36 7 20 0.00 NO 0.00 1.33 0.00 0.00 YES NO 99.97966000 100.00 3.40 0.86 0.03
118 119 119 C4H4O3 723 C4H4O3 119 5.48 TRUE TRUE C4H4O3 1,073 TRUE FALSE 4 4 0 0 0 0 3 0 0 0 YES YES YES 3 38 11 26 1.00 YES 0.00 0.75 0.00 0.00 YES YES 100.01604340 100.00 4.50 0.69 0.03
119 120 120 C5H8O2 630 C5H8O2 120 7.91 TRUE TRUE C5H8O2 1,168 TRUE FALSE 5 8 0 0 0 0 2 0 0 0 YES YES YES 2 40 15 32 1.60 YES 0.00 0.40 0.00 0.00 YES YES 100.05242680 100.00 5.60 0.54 0.02
120 121 121 C6H12O 120 C6H12O 121 8.75 TRUE TRUE C6H12O 211 TRUE FALSE 6 12 0 0 0 0 1 0 0 0 YES YES YES 1 42 19 38 2.00 YES 0.00 0.17 0.00 0.00 YES YES 100.08881020 100.00 6.71 0.40 0.02
121 122 122 C7O 191 C7O 122 61.64 TRUE TRUE C7O 356 TRUE FALSE 7 0 0 0 0 0 1 0 0 0 NO YES YES 8 34 8 30 0.00 NO 0.00 0.14 0.00 0.00 YES NO 99.99491500 100.00 7.61 0.45 0.02
122 123 123 C7H16 9 C7H16 123 18.34 TRUE TRUE C7H16 9 TRUE TRUE 7 16 0 0 0 0 0 0 0 0 YES YES YES 0 44 23 44 2.29 YES 0.00 0.00 0.00 0.00 YES YES 100.12519360 100.00 7.81 0.26 0.01
124 125 125 C3H2O4 190 C3H2O4 125 3.51 TRUE TRUE C3H2O4 246 TRUE FALSE 3 2 0 0 0 0 4 0 0 0 NO YES YES 3 38 9 22 0.67 YES 0.00 1.33 0.00 0.00 YES NO 101.99530920 100.00 3.43 0.86 0.03
125 126 126 C4H6O3 533 C4H6O3 126 5.54 TRUE TRUE C4H6O3 949 TRUE FALSE 4 6 0 0 0 0 3 0 0 0 YES YES YES 2 40 13 28 1.50 YES 0.00 0.75 0.00 0.00 YES YES 102.03169260 100.00 4.53 0.70 0.03
126 127 127 C5H10O2 191 C5H10O2 127 8.00 TRUE TRUE C5H10O2 400 TRUE FALSE 5 10 0 0 0 0 2 0 0 0 YES YES YES 1 42 17 34 2.00 YES 0.00 0.40 0.00 0.00 YES YES 102.06807600 100.00 5.63 0.54 0.02
127 128 128 C6H14O 16 C6H14O 128 9.09 TRUE TRUE C6H14O 32 TRUE FALSE 6 14 0 0 0 0 1 0 0 0 YES YES YES 0 44 21 40 2.33 YES 0.00 0.17 0.00 0.00 YES YES 102.10445940 100.00 6.74 0.40 0.02
128 129 129 C7H2O 2,139 C7H2O 129 61.95 TRUE TRUE C7H2O 3,971 TRUE FALSE 7 2 0 0 0 0 1 0 0 0 YES YES YES 7 36 10 32 0.29 YES 0.00 0.14 0.00 0.00 YES YES 102.01056420 100.00 7.64 0.46 0.02
130 131 131 C2O5 11 C2O5 131 1.67 TRUE TRUE C2O5 14 TRUE FALSE 2 0 0 0 0 0 5 0 0 0 NO YES YES 3 38 7 18 0.00 NO 0.00 2.50 0.00 0.00 YES NO 103.97457500 100.00 2.35 1.04 0.02
131 132 132 C3H4O4 258 C3H4O4 132 3.44 TRUE TRUE C3H4O4 401 TRUE FALSE 3 4 0 0 0 0 4 0 0 0 NO YES YES 2 40 11 24 1.33 YES 0.00 1.33 0.00 0.00 YES NO 104.01095840 100.00 3.46 0.86 0.03
132 133 133 C4H8O3 191 C4H8O3 133 6.25 TRUE TRUE C4H8O3 425 TRUE FALSE 4 8 0 0 0 0 3 0 0 0 YES YES YES 1 42 15 30 2.00 YES 0.00 0.75 0.00 0.00 YES YES 104.04734180 100.00 4.56 0.70 0.03
133 134 134 C5H12O2 29 C5H12O2 134 7.82 TRUE TRUE C5H12O2 69 TRUE FALSE 5 12 0 0 0 0 2 0 0 0 YES YES YES 0 44 19 36 2.40 YES 0.00 0.40 0.00 0.00 YES YES 104.08372520 100.00 5.66 0.54 0.02
134 135 135 C6O2 235 C6O2 135 68.91 TRUE TRUE C6O2 459 TRUE FALSE 6 0 0 0 0 0 2 0 0 0 NO YES YES 7 36 8 28 0.00 NO 0.00 0.33 0.00 0.00 YES NO 103.98983000 100.00 6.57 0.59 0.03
135 136 136 C7H4O 6,120 C7H4O 136 62.16 TRUE TRUE C7H4O 11,332 TRUE FALSE 7 4 0 0 0 0 1 0 0 0 YES YES YES 6 38 12 34 0.57 YES 0.00 0.14 0.00 0.00 YES YES 104.02621340 100.00 7.67 0.46 0.02
137 138 138 C2H2O5 52 C2H2O5 138 1.60 TRUE TRUE C2H2O5 74 TRUE FALSE 2 2 0 0 0 0 5 0 0 0 NO YES YES 2 40 9 20 1.00 YES 0.00 2.50 0.00 0.00 YES NO 105.99022420 100.00 2.38 1.04 0.02
138 139 139 C3H6O4 131 C3H6O4 139 3.36 TRUE TRUE C3H6O4 263 TRUE FALSE 3 6 0 0 0 0 4 0 0 0 NO YES YES 1 42 13 26 2.00 YES 0.00 1.33 0.00 0.00 YES NO 106.02660760 100.00 3.49 0.87 0.03
139 140 140 C4H10O3 30 C4H10O3 140 6.28 TRUE TRUE C4H10O3 88 TRUE FALSE 4 10 0 0 0 0 3 0 0 0 YES YES YES 0 44 17 32 2.50 YES 0.00 0.75 0.00 0.00 YES YES 106.06299100 100.00 4.59 0.70 0.03
140 141 141 C6H2O2 2,341 C6H2O2 141 75.41 TRUE TRUE C6H2O2 4,636 TRUE FALSE 6 2 0 0 0 0 2 0 0 0 YES YES YES 6 38 10 30 0.33 YES 0.00 0.33 0.00 0.00 YES YES 106.00547920 100.00 6.60 0.59 0.03
141 142 142 C7H6O 8,643 C7H6O 142 62.50 TRUE TRUE C7H6O 15,804 TRUE FALSE 7 6 0 0 0 0 1 0 0 0 YES YES YES 5 40 14 36 0.86 YES 0.00 0.14 0.00 0.00 YES YES 106.04186260 100.00 7.70 0.46 0.02
143 144 144 CO6 3 CO6 144 0.82 TRUE TRUE CO6 3 TRUE TRUE 1 0 0 0 0 0 6 0 0 0 NO YES YES 2 40 7 16 0.00 NO 0.00 6.00 0.00 0.00 NO NO 107.96949000 100.00 1.31 1.24 0.02
144 145 145 C2H4O5 52 C2H4O5 145 1.55 TRUE TRUE C2H4O5 88 TRUE FALSE 2 4 0 0 0 0 5 0 0 0 NO YES YES 1 42 11 22 2.00 YES 0.00 2.50 0.00 0.00 YES NO 108.00587340 100.00 2.41 1.05 0.02
145 146 146 C3H8O4 26 C3H8O4 146 3.38 TRUE TRUE C3H8O4 71 TRUE FALSE 3 8 0 0 0 0 4 0 0 0 NO YES YES 0 44 15 28 2.67 YES 0.00 1.33 0.00 0.00 YES NO 108.04225680 100.00 3.52 0.87 0.03
146 147 147 C5O3 193 C5O3 147 41.61 TRUE TRUE C5O3 327 TRUE FALSE 5 0 0 0 0 0 3 0 0 0 NO YES YES 6 38 8 26 0.00 NO 0.00 0.60 0.00 0.00 YES NO 107.98474500 100.00 5.52 0.74 0.04
147 148 148 C6H4O2 6,006 C6H4O2 148 72.70 TRUE TRUE C6H4O2 12,098 TRUE FALSE 6 4 0 0 0 0 2 0 0 0 YES YES YES 5 40 12 32 0.67 YES 0.00 0.33 0.00 0.00 YES YES 108.02112840 100.00 6.63 0.60 0.03
148 149 149 C7H8O 7,292 C7H8O 149 61.80 TRUE TRUE C7H8O 13,177 TRUE FALSE 7 8 0 0 0 0 1 0 0 0 YES YES YES 4 42 16 38 1.14 YES 0.00 0.14 0.00 0.00 YES YES 108.05751180 100.00 7.73 0.46 0.02
151 152 152 CH2O6 12 CH2O6 152 0.80 TRUE TRUE CH2O6 12 TRUE TRUE 1 2 0 0 0 0 6 0 0 0 NO YES YES 1 42 9 18 2.00 YES 0.00 6.00 0.00 0.00 NO NO 109.98513920 100.00 1.34 1.24 0.02
152 153 153 C2H6O5 15 C2H6O5 153 1.59 TRUE TRUE C2H6O5 35 TRUE FALSE 2 6 0 0 0 0 5 0 0 0 NO YES YES 0 44 13 24 3.00 YES 0.00 2.50 0.00 0.00 YES NO 110.02152260 100.00 2.44 1.05 0.02
153 154 154 C5H2O3 1,888 C5H2O3 154 40.57 TRUE TRUE C5H2O3 3,292 TRUE FALSE 5 2 0 0 0 0 3 0 0 0 YES YES YES 5 40 10 28 0.40 YES 0.00 0.60 0.00 0.00 YES YES 110.00039420 100.00 5.55 0.74 0.04
154 155 155 C6H6O2 7,283 C6H6O2 155 69.75 TRUE TRUE C6H6O2 15,066 TRUE FALSE 6 6 0 0 0 0 2 0 0 0 YES YES YES 4 42 14 34 1.00 YES 0.00 0.33 0.00 0.00 YES YES 110.03677760 100.00 6.66 0.60 0.03
155 156 156 C7H10O 3,953 C7H10O 156 61.93 TRUE TRUE C7H10O 7,166 TRUE FALSE 7 10 0 0 0 0 1 0 0 0 YES YES YES 3 44 18 40 1.43 YES 0.00 0.14 0.00 0.00 YES YES 110.07316100 100.00 7.76 0.47 0.02
158 159 159 CH4O6 9 CH4O6 159 0.77 TRUE TRUE CH4O6 9 TRUE TRUE 1 4 0 0 0 0 6 0 0 0 NO YES YES 0 44 11 20 4.00 YES 0.00 6.00 0.00 0.00 NO NO 112.00078840 100.00 1.37 1.24 0.02
159 160 160 C4O4 133 C4O4 160 24.01 TRUE TRUE C4O4 194 TRUE FALSE 4 0 0 0 0 0 4 0 0 0 NO YES YES 5 40 8 24 0.00 NO 0.00 1.00 0.00 0.00 YES NO 111.97966000 100.00 4.48 0.90 0.04
160 161 161 C5H4O3 4,204 C5H4O3 161 40.88 TRUE TRUE C5H4O3 7,744 TRUE FALSE 5 4 0 0 0 0 3 0 0 0 YES YES YES 4 42 12 30 0.80 YES 0.00 0.60 0.00 0.00 YES YES 112.01604340 100.00 5.58 0.74 0.04
161 162 162 C6H8O2 5,024 C6H8O2 162 66.30 TRUE TRUE C6H8O2 10,893 TRUE FALSE 6 8 0 0 0 0 2 0 0 0 YES YES YES 3 44 16 36 1.33 YES 0.00 0.33 0.00 0.00 YES YES 112.05242680 100.00 6.69 0.60 0.03
162 163 163 C7H12O 1,394 C7H12O 163 61.82 TRUE TRUE C7H12O 2,589 TRUE FALSE 7 12 0 0 0 0 1 0 0 0 YES YES YES 2 46 20 42 1.71 YES 0.00 0.14 0.00 0.00 YES YES 112.08881020 100.00 7.79 0.47 0.02
166 167 167 C4H2O4 1,097 C4H2O4 167 25.58 TRUE TRUE C4H2O4 1,635 TRUE FALSE 4 2 0 0 0 0 4 0 0 0 YES YES YES 4 42 10 26 0.50 YES 0.00 1.00 0.00 0.00 YES YES 113.99530920 100.00 4.51 0.90 0.04
167 168 168 C5H6O3 4,104 C5H6O3 168 41.85 TRUE TRUE C5H6O3 8,397 TRUE FALSE 5 6 0 0 0 0 3 0 0 0 YES YES YES 3 44 14 32 1.20 YES 0.00 0.60 0.00 0.00 YES YES 114.03169260 100.00 5.61 0.74 0.04
168 169 169 C6H10O2 2,080 C6H10O2 169 59.67 TRUE TRUE C6H10O2 4,869 TRUE FALSE 6 10 0 0 0 0 2 0 0 0 YES YES YES 2 46 18 38 1.67 YES 0.00 0.33 0.00 0.00 YES YES 114.06807600 100.00 6.72 0.60 0.03
169 170 170 C7H14O 307 C7H14O 170 62.53 TRUE TRUE C7H14O 596 TRUE FALSE 7 14 0 0 0 0 1 0 0 0 YES YES YES 1 48 22 44 2.00 YES 0.00 0.14 0.00 0.00 YES YES 114.10445940 100.00 7.82 0.47 0.02
173 174 174 C3O5 52 C3O5 174 8.75 TRUE TRUE C3O5 68 TRUE FALSE 3 0 0 0 0 0 5 0 0 0 NO YES YES 4 42 8 22 0.00 NO 0.00 1.67 0.00 0.00 YES NO 115.97457500 100.00 3.44 1.07 0.04
174 175 175 C4H4O4 1,943 C4H4O4 175 25.13 TRUE TRUE C4H4O4 3,328 TRUE FALSE 4 4 0 0 0 0 4 0 0 0 YES YES YES 3 44 12 28 1.00 YES 0.00 1.00 0.00 0.00 YES YES 116.01095840 100.00 4.54 0.90 0.04
175 176 176 C5H8O3 2,123 C5H8O3 176 41.26 TRUE TRUE C5H8O3 4,986 TRUE FALSE 5 8 0 0 0 0 3 0 0 0 YES YES YES 2 46 16 34 1.60 YES 0.00 0.60 0.00 0.00 YES YES 116.04734180 100.00 5.64 0.75 0.04
176 177 177 C6H12O2 515 C6H12O2 177 60.10 TRUE TRUE C6H12O2 1,313 TRUE FALSE 6 12 0 0 0 0 2 0 0 0 YES YES YES 1 48 20 40 2.00 YES 0.00 0.33 0.00 0.00 YES YES 116.08372520 100.00 6.75 0.60 0.03
177 178 178 C7O2 831 C7O2 178 484.91 TRUE TRUE C7O2 2,254 TRUE FALSE 7 0 0 0 0 0 2 0 0 0 NO YES YES 8 40 9 32 0.00 NO 0.00 0.29 0.00 0.00 YES NO 115.98983000 100.00 7.65 0.66 0.04
178 179 179 C7H16O 35 C7H16O 179 61.58 TRUE TRUE C7H16O 72 TRUE FALSE 7 16 0 0 0 0 1 0 0 0 YES YES YES 0 50 24 46 2.29 YES 0.00 0.14 0.00 0.00 YES YES 116.12010860 100.00 7.85 0.47 0.02
181 182 182 C3H2O5 373 C3H2O5 182 8.42 TRUE TRUE C3H2O5 547 TRUE FALSE 3 2 0 0 0 0 5 0 0 0 NO YES YES 3 44 10 24 0.67 YES 0.00 1.67 0.00 0.00 YES NO 117.99022420 100.00 3.47 1.07 0.04
182 183 183 C4H6O4 1,420 C4H6O4 183 23.79 TRUE TRUE C4H6O4 2,958 TRUE FALSE 4 6 0 0 0 0 4 0 0 0 YES YES YES 2 46 14 30 1.50 YES 0.00 1.00 0.00 0.00 YES YES 118.02660760 100.00 4.57 0.90 0.04
183 184 184 C5H10O3 606 C5H10O3 184 40.83 TRUE TRUE C5H10O3 1,656 TRUE FALSE 5 10 0 0 0 0 3 0 0 0 YES YES YES 1 48 18 36 2.00 YES 0.00 0.60 0.00 0.00 YES YES 118.06299100 100.00 5.67 0.75 0.04
184 185 185 C6H14O2 63 C6H14O2 185 58.84 TRUE TRUE C6H14O2 179 TRUE FALSE 6 14 0 0 0 0 2 0 0 0 YES YES YES 0 50 22 42 2.33 YES 0.00 0.33 0.00 0.00 YES YES 118.09937440 100.00 6.78 0.61 0.03
185 186 186 C7H2O2 10,287 C7H2O2 186 487.73 TRUE TRUE C7H2O2 28,770 TRUE FALSE 7 2 0 0 0 0 2 0 0 0 YES YES YES 7 42 11 34 0.29 YES 0.00 0.29 0.00 0.00 YES YES 118.00547920 100.00 7.68 0.66 0.04
188 189 189 C2O6 16 C2O6 189 1.94 TRUE TRUE C2O6 23 TRUE FALSE 2 0 0 0 0 0 6 0 0 0 NO YES YES 3 44 8 20 0.00 NO 0.00 3.00 0.00 0.00 YES NO 119.96949000 100.00 2.39 1.25 0.03
189 190 190 C3H4O5 512 C3H4O5 190 9.04 TRUE TRUE C3H4O5 915 TRUE FALSE 3 4 0 0 0 0 5 0 0 0 NO YES YES 2 46 12 26 1.33 YES 0.00 1.67 0.00 0.00 YES NO 120.00587340 100.00 3.50 1.07 0.04
190 191 191 C4H8O4 480 C4H8O4 191 24.89 TRUE TRUE C4H8O4 1,310 TRUE FALSE 4 8 0 0 0 0 4 0 0 0 YES YES YES 1 48 16 32 2.00 YES 0.00 1.00 0.00 0.00 YES YES 120.04225680 100.00 4.60 0.90 0.04
191 192 192 C5H12O3 78 C5H12O3 192 40.15 TRUE TRUE C5H12O3 258 TRUE FALSE 5 12 0 0 0 0 3 0 0 0 YES YES YES 0 50 20 38 2.40 YES 0.00 0.60 0.00 0.00 YES YES 120.07864020 100.00 5.70 0.75 0.04
192 193 193 C6O3 726 C6O3 193 394.28 TRUE TRUE C6O3 1,796 TRUE FALSE 6 0 0 0 0 0 3 0 0 0 NO YES YES 7 42 9 30 0.00 NO 0.00 0.50 0.00 0.00 YES NO 119.98474500 100.00 6.60 0.80 0.04
193 194 194 C7H4O2 31,208 C7H4O2 194 488.45 TRUE TRUE C7H4O2 86,246 TRUE FALSE 7 4 0 0 0 0 2 0 0 0 YES YES YES 6 44 13 36 0.57 YES 0.00 0.29 0.00 0.00 YES YES 120.02112840 100.00 7.71 0.67 0.04
197 198 198 C2H2O6 83 C2H2O6 198 2.02 TRUE TRUE C2H2O6 127 TRUE FALSE 2 2 0 0 0 0 6 0 0 0 NO YES YES 2 46 10 22 1.00 YES 0.00 3.00 0.00 0.00 YES NO 121.98513920 100.00 2.42 1.25 0.03
198 199 199 C3H6O5 260 C3H6O5 199 9.26 TRUE TRUE C3H6O5 608 TRUE FALSE 3 6 0 0 0 0 5 0 0 0 NO YES YES 1 48 14 28 2.00 YES 0.00 1.67 0.00 0.00 YES NO 122.02152260 100.00 3.53 1.07 0.04
199 200 200 C4H10O4 72 C4H10O4 200 24.74 TRUE TRUE C4H10O4 255 TRUE FALSE 4 10 0 0 0 0 4 0 0 0 YES YES YES 0 50 18 34 2.50 YES 0.00 1.00 0.00 0.00 YES YES 122.05790600 100.00 4.63 0.91 0.04
200 201 201 C6H2O3 8,785 C6H2O3 201 386.97 TRUE TRUE C6H2O3 21,641 TRUE FALSE 6 2 0 0 0 0 3 0 0 0 YES YES YES 6 44 11 32 0.33 YES 0.00 0.50 0.00 0.00 YES YES 122.00039420 100.00 6.63 0.80 0.04
201 202 202 C7H6O2 45,117 C7H6O2 202 487.06 TRUE TRUE C7H6O2 122,391 TRUE FALSE 7 6 0 0 0 0 2 0 0 0 YES YES YES 5 46 15 38 0.86 YES 0.00 0.29 0.00 0.00 YES YES 122.03677760 100.00 7.74 0.67 0.04
203 204 204 C9H14 7,244 C9H14 204 2513.77 TRUE TRUE C9H14 7,244 TRUE TRUE 9 14 0 0 0 0 0 0 0 0 YES YES YES 3 50 23 50 1.56 YES 0.00 0.00 0.00 0.00 YES YES 122.10954440 100.00 9.94 0.44 0.01
205 206 206 CO7 3 CO7 206 0.97 TRUE TRUE CO7 3 TRUE TRUE 1 0 0 0 0 0 7 0 0 0 NO YES YES 2 46 8 18 0.00 NO 0.00 7.00 0.00 0.00 NO NO 123.96440500 100.00 1.35 1.44 0.02
206 207 207 C2H4O6 84 C2H4O6 207 1.91 TRUE TRUE C2H4O6 157 TRUE FALSE 2 4 0 0 0 0 6 0 0 0 NO YES YES 1 48 12 24 2.00 YES 0.00 3.00 0.00 0.00 YES NO 124.00078840 100.00 2.45 1.25 0.03
207 208 208 C3H8O5 47 C3H8O5 208 8.89 TRUE TRUE C3H8O5 154 TRUE FALSE 3 8 0 0 0 0 5 0 0 0 NO YES YES 0 50 16 30 2.67 YES 0.00 1.67 0.00 0.00 YES NO 124.03717180 100.00 3.56 1.07 0.04
208 209 209 C5O4 520 C5O4 209 198.12 TRUE TRUE C5O4 1,015 TRUE FALSE 5 0 0 0 0 0 4 0 0 0 NO YES YES 6 44 9 28 0.00 NO 0.00 0.80 0.00 0.00 YES NO 123.97966000 100.00 5.56 0.95 0.05
209 210 210 C6H4O3 23,430 C6H4O3 210 401.51 TRUE TRUE C6H4O3 59,327 TRUE FALSE 6 4 0 0 0 0 3 0 0 0 YES YES YES 5 46 13 34 0.67 YES 0.00 0.50 0.00 0.00 YES YES 124.01604340 100.00 6.66 0.80 0.04
210 211 211 C7H8O2 37,662 C7H8O2 211 486.97 TRUE TRUE C7H8O2 102,139 TRUE FALSE 7 8 0 0 0 0 2 0 0 0 YES YES YES 4 48 17 40 1.14 YES 0.00 0.29 0.00 0.00 YES YES 124.05242680 100.00 7.77 0.67 0.04
212 213 213 C9O 3,778 C9O 213 8097.22 TRUE TRUE C9O 10,064 TRUE FALSE 9 0 0 0 0 0 1 0 0 0 NO YES YES 10 42 10 38 0.00 NO 0.00 0.11 0.00 0.00 YES NO 123.99491500 100.00 9.77 0.63 0.03
213 214 214 C9H16 1,902 C9H16 214 2060.76 TRUE TRUE C9H16 1,902 TRUE TRUE 9 16 0 0 0 0 0 0 0 0 YES YES YES 2 52 25 52 1.78 YES 0.00 0.00 0.00 0.00 YES YES 124.12519360 100.00 9.97 0.45 0.01
215 216 216 CH2O7 16 CH2O7 216 0.96 TRUE TRUE CH2O7 16 TRUE TRUE 1 2 0 0 0 0 7 0 0 0 NO YES YES 1 48 10 20 2.00 YES 0.00 7.00 0.00 0.00 NO NO 125.98005420 100.00 1.38 1.44 0.02
216 217 217 C2H6O6 26 C2H6O6 217 1.98 TRUE TRUE C2H6O6 61 TRUE FALSE 2 6 0 0 0 0 6 0 0 0 NO YES YES 0 50 14 26 3.00 YES 0.00 3.00 0.00 0.00 YES NO 126.01643760 100.00 2.48 1.25 0.03
217 218 218 C5H2O4 5,678 C5H2O4 218 198.72 TRUE TRUE C5H2O4 11,291 TRUE FALSE 5 2 0 0 0 0 4 0 0 0 YES YES YES 5 46 11 30 0.40 YES 0.00 0.80 0.00 0.00 YES YES 125.99530920 100.00 5.59 0.95 0.05
218 219 219 C6H6O3 28,362 C6H6O3 219 391.96 TRUE TRUE C6H6O3 75,331 TRUE FALSE 6 6 0 0 0 0 3 0 0 0 YES YES YES 4 48 15 36 1.00 YES 0.00 0.50 0.00 0.00 YES YES 126.03169260 100.00 6.69 0.81 0.04
219 220 220 C7H10O2 19,912 C7H10O2 220 479.89 TRUE TRUE C7H10O2 54,641 TRUE FALSE 7 10 0 0 0 0 2 0 0 0 YES YES YES 3 50 19 42 1.43 YES 0.00 0.29 0.00 0.00 YES YES 126.06807600 100.00 7.80 0.67 0.04
221 222 222 C9H2O 62,024 C9H2O 222 7466.59 TRUE TRUE C9H2O 160,114 TRUE FALSE 9 2 0 0 0 0 1 0 0 0 YES YES YES 9 44 12 40 0.22 YES 0.00 0.11 0.00 0.00 YES YES 126.01056420 100.00 9.80 0.63 0.03
222 223 223 C9H18 338 C9H18 223 2096.30 TRUE TRUE C9H18 338 TRUE TRUE 9 18 0 0 0 0 0 0 0 0 YES YES YES 1 54 27 54 2.00 YES 0.00 0.00 0.00 0.00 YES YES 126.14084280 100.00 10.00 0.45 0.01
224 225 225 CH4O7 11 CH4O7 225 0.99 TRUE TRUE CH4O7 11 TRUE TRUE 1 4 0 0 0 0 7 0 0 0 NO YES YES 0 50 12 22 4.00 YES 0.00 7.00 0.00 0.00 NO NO 127.99570340 100.00 1.41 1.44 0.02
225 226 226 C4O5 272 C4O5 226 83.40 TRUE TRUE C4O5 429 TRUE FALSE 4 0 0 0 0 0 5 0 0 0 NO YES YES 5 46 9 26 0.00 NO 0.00 1.25 0.00 0.00 YES NO 127.97457500 100.00 4.52 1.11 0.05
226 227 227 C5H4O4 12,784 C5H4O4 227 198.15 TRUE TRUE C5H4O4 27,721 TRUE FALSE 5 4 0 0 0 0 4 0 0 0 YES YES YES 4 48 13 32 0.80 YES 0.00 0.80 0.00 0.00 YES YES 128.01095840 100.00 5.62 0.95 0.05
227 228 228 C6H8O3 19,045 C6H8O3 228 385.24 TRUE TRUE C6H8O3 54,343 TRUE FALSE 6 8 0 0 0 0 3 0 0 0 YES YES YES 3 50 17 38 1.33 YES 0.00 0.50 0.00 0.00 YES YES 128.04734180 100.00 6.72 0.81 0.04
228 229 229 C7H12O2 6,711 C7H12O2 229 487.20 TRUE TRUE C7H12O2 19,154 TRUE FALSE 7 12 0 0 0 0 2 0 0 0 YES YES YES 2 52 21 44 1.71 YES 0.00 0.29 0.00 0.00 YES YES 128.08372520 100.00 7.83 0.68 0.04
234 235 235 C4H2O5 2,492 C4H2O5 235 78.57 TRUE TRUE C4H2O5 4,228 TRUE FALSE 4 2 0 0 0 0 5 0 0 0 NO YES YES 4 48 11 28 0.50 YES 0.00 1.25 0.00 0.00 YES NO 129.99022420 100.00 4.55 1.11 0.05
235 236 236 C5H6O4 12,366 C5H6O4 236 197.60 TRUE TRUE C5H6O4 30,434 TRUE FALSE 5 6 0 0 0 0 4 0 0 0 YES YES YES 3 50 15 34 1.20 YES 0.00 0.80 0.00 0.00 YES YES 130.02660760 100.00 5.65 0.95 0.05
236 237 237 C6H10O3 7,591 C6H10O3 237 389.54 TRUE TRUE C6H10O3 23,838 TRUE FALSE 6 10 0 0 0 0 3 0 0 0 YES YES YES 2 52 19 40 1.67 YES 0.00 0.50 0.00 0.00 YES YES 130.06299100 100.00 6.75 0.81 0.04
237 238 238 C7H14O2 1,387 C7H14O2 238 488.99 TRUE TRUE C7H14O2 4,177 TRUE FALSE 7 14 0 0 0 0 2 0 0 0 YES YES YES 1 54 23 46 2.00 YES 0.00 0.29 0.00 0.00 YES YES 130.09937440 100.00 7.86 0.68 0.04
242 243 243 C3O6 88 C3O6 243 20.59 TRUE TRUE C3O6 130 TRUE FALSE 3 0 0 0 0 0 6 0 0 0 NO YES YES 4 48 9 24 0.00 NO 0.00 2.00 0.00 0.00 YES NO 131.96949000 100.00 3.47 1.28 0.04
243 244 244 C4H4O5 4,574 C4H4O5 244 76.00 TRUE TRUE C4H4O5 8,952 TRUE FALSE 4 4 0 0 0 0 5 0 0 0 NO YES YES 3 50 13 30 1.00 YES 0.00 1.25 0.00 0.00 YES NO 132.00587340 100.00 4.58 1.11 0.05
244 245 245 C5H8O4 6,273 C5H8O4 245 196.20 TRUE TRUE C5H8O4 18,023 TRUE FALSE 5 8 0 0 0 0 4 0 0 0 YES YES YES 2 52 17 36 1.60 YES 0.00 0.80 0.00 0.00 YES YES 132.04225680 100.00 5.68 0.95 0.05
245 246 246 C6H12O3 1,763 C6H12O3 246 389.18 TRUE TRUE C6H12O3 6,171 TRUE FALSE 6 12 0 0 0 0 3 0 0 0 YES YES YES 1 54 21 42 2.00 YES 0.00 0.50 0.00 0.00 YES YES 132.07864020 100.00 6.78 0.81 0.04
246 247 247 C7O3 2,778 C7O3 247 3346.06 TRUE TRUE C7O3 10,604 TRUE FALSE 7 0 0 0 0 0 3 0 0 0 NO YES YES 8 46 10 34 0.00 NO 0.00 0.43 0.00 0.00 YES NO 131.98474500 100.00 7.69 0.87 0.05
247 248 248 C7H16O2 143 C7H16O2 248 510.17 TRUE TRUE C7H16O2 463 TRUE FALSE 7 16 0 0 0 0 2 0 0 0 YES YES YES 0 56 25 48 2.29 YES 0.00 0.29 0.00 0.00 YES YES 132.11502360 100.00 7.89 0.68 0.04
252 253 253 C3H2O6 668 C3H2O6 253 20.07 TRUE TRUE C3H2O6 1,115 TRUE FALSE 3 2 0 0 0 0 6 0 0 0 NO YES YES 3 50 11 26 0.67 YES 0.00 2.00 0.00 0.00 YES NO 133.98513920 100.00 3.50 1.28 0.04
253 254 254 C4H6O5 3,285 C4H6O5 254 69.21 TRUE TRUE C4H6O5 8,070 TRUE FALSE 4 6 0 0 0 0 5 0 0 0 NO YES YES 2 52 15 32 1.50 YES 0.00 1.25 0.00 0.00 YES NO 134.02152260 100.00 4.61 1.11 0.05
254 255 255 C5H10O4 1,696 C5H10O4 255 198.89 TRUE TRUE C5H10O4 5,841 TRUE FALSE 5 10 0 0 0 0 4 0 0 0 YES YES YES 1 54 19 38 2.00 YES 0.00 0.80 0.00 0.00 YES YES 134.05790600 100.00 5.71 0.96 0.05
255 256 256 C6H14O3 188 C6H14O3 256 387.13 TRUE TRUE C6H14O3 772 TRUE FALSE 6 14 0 0 0 0 3 0 0 0 YES YES YES 0 56 23 44 2.33 YES 0.00 0.50 0.00 0.00 YES YES 134.09428940 100.00 6.81 0.81 0.04
261 262 262 C2O7 20 C2O7 262 3.00 TRUE TRUE C2O7 31 TRUE FALSE 2 0 0 0 0 0 7 0 0 0 NO YES YES 3 50 9 22 0.00 NO 0.00 3.50 0.00 0.00 NO NO 135.96440500 100.00 2.43 1.46 0.03
262 263 263 C3H4O6 953 C3H4O6 263 21.46 TRUE TRUE C3H4O6 1,945 TRUE FALSE 3 4 0 0 0 0 6 0 0 0 NO YES YES 2 52 13 28 1.33 YES 0.00 2.00 0.00 0.00 YES NO 136.00078840 100.00 3.53 1.28 0.04
263 264 264 C4H8O5 1,085 C4H8O5 264 68.78 TRUE TRUE C4H8O5 3,528 TRUE FALSE 4 8 0 0 0 0 5 0 0 0 NO YES YES 1 54 17 34 2.00 YES 0.00 1.25 0.00 0.00 YES NO 136.03717180 100.00 4.64 1.11 0.05
264 265 265 C5H12O4 203 C5H12O4 265 199.14 TRUE TRUE C5H12O4 869 TRUE FALSE 5 12 0 0 0 0 4 0 0 0 YES YES YES 0 56 21 40 2.40 YES 0.00 0.80 0.00 0.00 YES YES 136.07355520 100.00 5.74 0.96 0.05
265 266 266 C6O4 2,214 C6O4 266 2041.48 TRUE TRUE C6O4 6,361 TRUE FALSE 6 0 0 0 0 0 4 0 0 0 NO YES YES 7 48 10 32 0.00 NO 0.00 0.67 0.00 0.00 YES NO 135.97966000 100.00 6.64 1.01 0.06
266 267 267 C7H4O3 128,491 C7H4O3 267 3946.76 TRUE TRUE C7H4O3 481,262 TRUE FALSE 7 4 0 0 0 0 3 0 0 0 YES YES YES 6 50 14 38 0.57 YES 0.00 0.43 0.00 0.00 YES YES 136.01604340 100.00 7.75 0.88 0.05
272 273 273 C2H2O7 118 C2H2O7 273 3.28 TRUE TRUE C2H2O7 202 TRUE FALSE 2 2 0 0 0 0 7 0 0 0 NO YES YES 2 52 11 24 1.00 YES 0.00 3.50 0.00 0.00 NO NO 137.98005420 100.00 2.46 1.46 0.03
273 274 274 C3H6O6 480 C3H6O6 274 20.46 TRUE TRUE C3H6O6 1,294 TRUE FALSE 3 6 0 0 0 0 6 0 0 0 NO YES YES 1 54 15 30 2.00 YES 0.00 2.00 0.00 0.00 YES NO 138.01643760 100.00 3.56 1.28 0.04
274 275 275 C4H10O5 146 C4H10O5 275 69.25 TRUE TRUE C4H10O5 655 TRUE FALSE 4 10 0 0 0 0 5 0 0 0 NO YES YES 0 56 19 36 2.50 YES 0.00 1.25 0.00 0.00 YES NO 138.05282100 100.00 4.67 1.11 0.05
275 276 276 C6H2O4 28,619 C6H2O4 276 2049.24 TRUE TRUE C6H2O4 84,414 TRUE FALSE 6 2 0 0 0 0 4 0 0 0 YES YES YES 6 50 12 34 0.33 YES 0.00 0.67 0.00 0.00 YES YES 137.99530920 100.00 6.67 1.01 0.06
276 277 277 C7H6O3 186,753 C7H6O3 277 3878.91 TRUE TRUE C7H6O3 696,019 TRUE FALSE 7 6 0 0 0 0 3 0 0 0 YES YES YES 5 52 16 40 0.86 YES 0.00 0.43 0.00 0.00 YES YES 138.03169260 100.00 7.78 0.88 0.05
282 283 283 CO8 4 CO8 283 1.15 TRUE TRUE CO8 4 TRUE TRUE 1 0 0 0 0 0 8 0 0 0 NO YES YES 2 52 9 20 0.00 NO 0.00 8.00 0.00 0.00 NO NO 139.95932000 100.00 1.39 1.65 0.02
283 284 284 C2H4O7 127 C2H4O7 284 3.36 TRUE TRUE C2H4O7 256 TRUE FALSE 2 4 0 0 0 0 7 0 0 0 NO YES YES 1 54 13 26 2.00 YES 0.00 3.50 0.00 0.00 NO NO 139.99570340 100.00 2.49 1.46 0.04
284 285 285 C3H8O6 87 C3H8O6 285 21.00 TRUE TRUE C3H8O6 324 TRUE FALSE 3 8 0 0 0 0 6 0 0 0 NO YES YES 0 56 17 32 2.67 YES 0.00 2.00 0.00 0.00 YES NO 140.03208680 100.00 3.59 1.28 0.04
285 286 286 C5O5 1,239 C5O5 286 813.14 TRUE TRUE C5O5 2,711 TRUE FALSE 5 0 0 0 0 0 5 0 0 0 NO YES YES 6 50 10 30 0.00 NO 0.00 1.00 0.00 0.00 YES NO 139.97457500 100.00 5.60 1.16 0.06
286 287 287 C6H4O4 78,156 C6H4O4 287 1849.62 TRUE TRUE C6H4O4 240,785 TRUE FALSE 6 4 0 0 0 0 4 0 0 0 YES YES YES 5 52 14 36 0.67 YES 0.00 0.67 0.00 0.00 YES YES 140.01095840 100.00 6.70 1.01 0.06
287 288 288 C7H8O3 155,255 C7H8O3 288 3400.10 TRUE TRUE C7H8O3 582,423 TRUE FALSE 7 8 0 0 0 0 3 0 0 0 YES YES YES 4 54 18 42 1.14 YES 0.00 0.43 0.00 0.00 YES YES 140.04734180 100.00 7.81 0.88 0.05
294 295 295 CH2O8 20 CH2O8 295 1.16 TRUE TRUE CH2O8 20 TRUE TRUE 1 2 0 0 0 0 8 0 0 0 NO YES YES 1 54 11 22 2.00 YES 0.00 8.00 0.00 0.00 NO NO 141.97496920 100.00 1.42 1.65 0.02
295 296 296 C2H6O7 37 C2H6O7 296 3.44 TRUE TRUE C2H6O7 98 TRUE FALSE 2 6 0 0 0 0 7 0 0 0 NO YES YES 0 56 15 28 3.00 YES 0.00 3.50 0.00 0.00 NO NO 142.01135260 100.00 2.52 1.46 0.04
296 297 297 C5H2O5 14,626 C5H2O5 297 804.00 TRUE TRUE C5H2O5 33,662 TRUE FALSE 5 2 0 0 0 0 5 0 0 0 YES YES YES 5 52 12 32 0.40 YES 0.00 1.00 0.00 0.00 YES YES 141.99022420 100.00 5.63 1.16 0.06
297 298 298 C6H6O4 94,437 C6H6O4 298 1776.98 TRUE TRUE C6H6O4 310,776 TRUE FALSE 6 6 0 0 0 0 4 0 0 0 YES YES YES 4 54 16 38 1.00 YES 0.00 0.67 0.00 0.00 YES YES 142.02660760 100.00 6.73 1.01 0.06
298 299 299 C7H10O3 79,901 C7H10O3 299 3350.08 TRUE TRUE C7H10O3 308,660 TRUE FALSE 7 10 0 0 0 0 3 0 0 0 YES YES YES 3 56 20 44 1.43 YES 0.00 0.43 0.00 0.00 YES YES 142.06299100 100.00 7.84 0.88 0.05
305 306 306 CH4O8 15 CH4O8 306 1.14 TRUE TRUE CH4O8 15 TRUE TRUE 1 4 0 0 0 0 8 0 0 0 NO YES YES 0 56 13 24 4.00 YES 0.00 8.00 0.00 0.00 NO NO 143.99061840 100.00 1.45 1.65 0.02
306 307 307 C4O6 521 C4O6 307 219.48 TRUE TRUE C4O6 932 TRUE FALSE 4 0 0 0 0 0 6 0 0 0 NO YES YES 5 52 10 28 0.00 NO 0.00 1.50 0.00 0.00 YES NO 143.96949000 100.00 4.55 1.31 0.06
307 308 308 C5H4O5 33,877 C5H4O5 308 810.07 TRUE TRUE C5H4O5 85,857 TRUE FALSE 5 4 0 0 0 0 5 0 0 0 YES YES YES 4 54 14 34 0.80 YES 0.00 1.00 0.00 0.00 YES YES 144.00587340 100.00 5.66 1.16 0.06
308 309 309 C6H8O4 62,413 C6H8O4 309 1786.69 TRUE TRUE C6H8O4 224,720 TRUE FALSE 6 8 0 0 0 0 4 0 0 0 YES YES YES 3 56 18 40 1.33 YES 0.00 0.67 0.00 0.00 YES YES 144.04225680 100.00 6.76 1.02 0.06
309 310 310 C7H12O3 25,894 C7H12O3 310 3304.50 TRUE TRUE C7H12O3 105,625 TRUE FALSE 7 12 0 0 0 0 3 0 0 0 YES YES YES 2 58 22 46 1.71 YES 0.00 0.43 0.00 0.00 YES YES 144.07864020 100.00 7.87 0.89 0.05
317 318 318 C4H2O6 5,232 C4H2O6 318 218.47 TRUE TRUE C4H2O6 9,986 TRUE FALSE 4 2 0 0 0 0 6 0 0 0 NO YES YES 4 54 12 30 0.50 YES 0.00 1.50 0.00 0.00 YES NO 145.98513920 100.00 4.58 1.31 0.06
318 319 319 C5H6O5 32,919 C5H6O5 319 812.26 TRUE TRUE C5H6O5 95,870 TRUE FALSE 5 6 0 0 0 0 5 0 0 0 YES YES YES 3 56 16 36 1.20 YES 0.00 1.00 0.00 0.00 YES YES 146.02152260 100.00 5.69 1.16 0.06
319 320 320 C6H10O4 24,223 C6H10O4 320 1765.25 TRUE TRUE C6H10O4 97,394 TRUE FALSE 6 10 0 0 0 0 4 0 0 0 YES YES YES 2 58 20 42 1.67 YES 0.00 0.67 0.00 0.00 YES YES 146.05790600 100.00 6.79 1.02 0.06
320 321 321 C7H14O3 5,056 C7H14O3 321 3379.20 TRUE TRUE C7H14O3 22,151 TRUE FALSE 7 14 0 0 0 0 3 0 0 0 YES YES YES 1 60 24 48 2.00 YES 0.00 0.43 0.00 0.00 YES YES 146.09428940 100.00 7.90 0.89 0.05
327 328 328 C3O7 130 C3O7 328 48.06 TRUE TRUE C3O7 217 TRUE FALSE 3 0 0 0 0 0 7 0 0 0 NO YES YES 4 54 10 26 0.00 NO 0.00 2.33 0.00 0.00 YES NO 147.96440500 100.00 3.51 1.48 0.05
328 329 329 C4H4O6 9,748 C4H4O6 329 218.29 TRUE TRUE C4H4O6 21,975 TRUE FALSE 4 4 0 0 0 0 6 0 0 0 NO YES YES 3 56 14 32 1.00 YES 0.00 1.50 0.00 0.00 YES NO 148.00078840 100.00 4.61 1.32 0.06
329 330 330 C5H8O5 16,356 C5H8O5 330 799.15 TRUE TRUE C5H8O5 56,687 TRUE FALSE 5 8 0 0 0 0 5 0 0 0 YES YES YES 2 58 18 38 1.60 YES 0.00 1.00 0.00 0.00 YES YES 148.03717180 100.00 5.72 1.16 0.06
330 331 331 C6H12O4 5,360 C6H12O4 331 1788.98 TRUE TRUE C6H12O4 24,562 TRUE FALSE 6 12 0 0 0 0 4 0 0 0 YES YES YES 1 60 22 44 2.00 YES 0.00 0.67 0.00 0.00 YES YES 148.07355520 100.00 6.82 1.02 0.06
339 340 340 C3H2O7 1,112 C3H2O7 340 46.86 TRUE TRUE C3H2O7 2,113 TRUE FALSE 3 2 0 0 0 0 7 0 0 0 NO YES YES 3 56 12 28 0.67 YES 0.00 2.33 0.00 0.00 YES NO 149.98005420 100.00 3.54 1.48 0.05
340 341 341 C4H6O6 7,036 C4H6O6 341 220.65 TRUE TRUE C4H6O6 20,050 TRUE FALSE 4 6 0 0 0 0 6 0 0 0 NO YES YES 2 58 16 34 1.50 YES 0.00 1.50 0.00 0.00 YES NO 150.01643760 100.00 4.64 1.32 0.06
341 342 342 C5H10O5 4,232 C5H10O5 342 809.58 TRUE TRUE C5H10O5 18,092 TRUE FALSE 5 10 0 0 0 0 5 0 0 0 YES YES YES 1 60 20 40 2.00 YES 0.00 1.00 0.00 0.00 YES YES 150.05282100 100.00 5.75 1.16 0.06
342 343 343 C6H14O4 535 C6H14O4 343 1772.01 TRUE TRUE C6H14O4 2,922 TRUE FALSE 6 14 0 0 0 0 4 0 0 0 YES YES YES 0 62 24 46 2.33 YES 0.00 0.67 0.00 0.00 YES YES 150.08920440 100.00 6.85 1.02 0.06
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