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compound

temp_wom
1 C2H5NO2 glycine  75.032028412.88110.1021/acssynbio.5b00236     
2 C3H7NO3 serine  105.042593113.40510.1021/acssynbio.5b00236     
3 C5H9NO2 proline  115.06332859.42810.1021/acssynbio.5b00236     
4 C5H11NO2 valine  117.07897869.65910.1021/acssynbio.5b00236     
5 C4H9NO3 threonine/homoserine  119.058243212.12210.1021/acssynbio.5b00236     
6 C5H9NO3 4-hydroxy-L-proline  131.058243211.610.1021/acssynbio.5b00236     
7 C6H13NO2 leucine  131.09462878.09710.1021/acssynbio.5b00236     
8 C6H13NO2 isoleucine  131.09462878.50310.1021/acssynbio.5b00236     
9 C4H8N2O3 asparagine  132.053492113.37110.1021/acssynbio.5b00236     
10 C4H7NO4 aspartate  133.037507714.77210.1021/acssynbio.5b00236     
11 C5H10N2O3 glutamine  146.069142212.88110.1021/acssynbio.5b00236     
12 C6H14N2O2 lysine  146.105527722.34210.1021/acssynbio.5b00236     
13 C5H9NO4 glutamate  147.053157814.30610.1021/acssynbio.5b00236     
14 C6H9N3O2 histidine  155.069476514.69610.1021/acssynbio.5b00236     
15 C9H11NO2 phenylalanine  165.07897868.1310.1021/acssynbio.5b00236     
16 C6H14N4O2 arginine  174.111675722.69510.1021/acssynbio.5b00236     
17 C6H13N3O3 citrulline  175.095691313.74710.1021/acssynbio.5b00236     
18 C9H11NO3 tyrosine  181.073893210.69410.1021/acssynbio.5b00236     
19 C11H12N2O2 tryptophan  204.08987769.10410.1021/acssynbio.5b00236     
20 C5H11NO2S methionine  149.05104969.20310.1021/acssynbio.5b00236     
21 C6H12N2O4S2 cystine  240.023848916.7210.1021/acssynbio.5b00236     
22 C8H16N2O4S2 homocystine  268.05514915.52310.1021/acssynbio.5b00236     
23 C3H7NO2S cysteine  121.01974950.010.1021/acssynbio.5b00236     
24 C7H14N2O4S cystathionine  222.067427916.63610.1021/acssynbio.5b00236     
25 C8H14N2O5S glutamylcysteine  250.062342613.26310.1021/acssynbio.5b00236     
26 C10H17N3O6S glutathione  307.083806312.71810.1021/acssynbio.5b00236     
27 C20H32N6O12S2 glutathione disulfide  612.151962518.19110.1021/acssynbio.5b00236     
28 C3H3O3S mercaptopyruvate  118.980290.010.1021/acssynbio.5b00236     
29 C4H9NO2S homocysteine  135.03539950.010.1021/acssynbio.5b00236     
30 C15H22N6O5S adenosylmethionine  398.137238810.51710.1021/acssynbio.5b00236     
31 C13H22N4O8S2 glutathionyl-cysteine  426.08790570.010.1021/acssynbio.5b00236     
32 S cysteine or other cys or SH containing metabolite  1.01.010.1021/acssynbio.5b00236     
33 NA Adenine  0.010.1707167610.1038/ncomms9289 GFFGJBXGBJISGV-UHFFFAOYSA-N   
34 NA Xanthine  0.013.6391869810.1038/ncomms9289     
35 NA Unk_728.1891p_726.1732n_28.7_RB_BiocrustExp  0.028.6558421710.1038/ncomms9289     
36 NA 7Hex+C7H16O7  0.024.0637124510.1038/ncomms9289     
37 NA 6Hex+C7H16O7  0.023.7628315210.1038/ncomms9289     
38 NA 5Hex+C7H16O7  0.023.3623184510.1038/ncomms9289     
39 NA Trihexose  0.021.9725794110.1038/ncomms9289     
40 NA 4Hex+C7H16O7  0.022.9251364910.1038/ncomms9289     
41 NA Unk_812.4166p_810.3997n_22.8_RB_BiocrustExp  0.022.8226060510.1038/ncomms9289     
42 NA Unk_679.2675p_677.258n_23.5_RB_BiocrustExp  0.023.4686693110.1038/ncomms9289     
43 C7H16O7 C7H16O7_213.0931p_211.073n_22.6_RB_BiocrustExp  0.022.6040947610.1038/ncomms9289     
44 NA 3Hex+C7H16O7  0.022.3796162210.1038/ncomms9289     
45 NA Dihexose  0.021.0706808410.1038/ncomms9289     
46 NA 2Hex+glycerol  0.021.2425331510.1038/ncomms9289     
47 NA Unk_255.1013p_253.0852n_20_RB_BiocrustExp  0.020.0189192310.1038/ncomms9289     
48 C9H18NO10S C9H18NO10S_336.0972p_317.0548n_19.7_RB_BiocrustExp  0.019.6931212910.1038/ncomms9289     
49 NA Hexosylglycerol  0.018.9981344210.1038/ncomms9289     
50 C19H30N2O12 C19H30N2O12_479.1877p_477.1774n_18.5_RB_BiocrustExp  0.018.5499599110.1038/ncomms9289     
51 NA Unk_694.2936p_692.2762n_16.4_RB_BiocrustExp  0.016.3940946810.1038/ncomms9289     
52 NA Unk_251.1647p_249.1486n_6.8_RB_BiocrustExp  0.06.82636840510.1038/ncomms9289     
53 NA Unk_504.3268p_485.2825n_3.2_RB_BiocrustExp  0.03.23163390410.1038/ncomms9289     
54 NA Unk_836.5569p_817.5176n_3.9_RB_BiocrustExp  0.03.93706882210.1038/ncomms9289     
55 C18H36O2 C18:0 fatty acid  0.05.08354298210.1038/ncomms9289     
56 C16H32O2 C16:0 fatty acid  0.04.28817196910.1038/ncomms9289     
57 C14H28O2 C14:0 fatty acid  0.04.34850613910.1038/ncomms9289     
58 NA Unk_0p_426.9698n_4.5_RB_BiocrustExp  0.04.47680473210.1038/ncomms9289     
59 NA Unk_0p_213.963n_7.4_RB_BiocrustExp  0.07.40303717310.1038/ncomms9289     
60 C10H20O2 C10:0 fatty acid  0.06.78855445210.1038/ncomms9289     
61 C7H8O3S C7H8O3S  0.07.90135516410.1038/ncomms9289     
62 C7H6O3 Hydroxybenzoic acid  0.07.88631385310.1038/ncomms9289     
63 C6H8O7 Citrate/Isocitrate  0.020.442055210.1038/ncomms9289     
64 C18H33O19P 3Hex phosphate  0.020.9758589710.1038/ncomms9289     
65 C4H6O4 Succinate  0.019.6178689210.1038/ncomms9289     
66 C4H6O5 Malate  0.019.8210215610.1038/ncomms9289     
67 C7H12O5 2-isopropylmalate  0.015.2644345610.1038/ncomms9289     
68 C5H8O5 Citramalic acid  0.019.6672677710.1038/ncomms9289     
69 C5H6O6S C5H6O6S_0p_192.9804n_18.5_RB_BiocrustExp  0.018.500531410.1038/ncomms9289     
70 C9H10O4 C9H10O4_0p_181.0496n_19.4_RB_BiocrustExp  0.019.3767871110.1038/ncomms9289     
71 C9H18O10S C9H18O10S_0p_317.0547n_19.5_RB_BiocrustExp  0.019.5139675410.1038/ncomms9289     
72 C9H18O11S C9H18O11S_0p_333.0505n_18.5_RB_BiocrustExp  0.018.4505682610.1038/ncomms9289     
73 NA Unk_0p_565.1012n_20.1_RB_BiocrustExp  0.020.1414394610.1038/ncomms9289     
74 C9H16O9 Hexosylglycerate  0.019.5032219510.1038/ncomms9289     
75 C15H22O3 C15H22O3_0p_249.149n_6_RB_BiocrustExp  0.05.96984613710.1038/ncomms9289     
76 NA Unk_0p_297.1528n_6.7_RB_BiocrustExp  0.06.73392962110.1038/ncomms9289     
77 C6H12N2O3 Ala-Ala  0.021.1890091710.1038/ncomms9289     
78 NA (Glu-Val)  0.019.3853536110.1038/ncomms9289     
79 NA (Glu-Leu/Ile)  0.018.9128756110.1038/ncomms9289     
80 C8H14N2O5 (Glu-Ala)  0.020.0790479610.1038/ncomms9289     
81 NA acetylglutamate  0.019.5127013710.1038/ncomms9289     
82 NA Adenosine  0.011.1985806510.1038/ncomms9289     
83 NA Cytosine  0.015.0841174510.1038/ncomms9289     
84 NA Glycerophosphocholine  0.022.9516797410.1038/ncomms9289     
85 NA Guanine  0.016.163602310.1038/ncomms9289     
86 NA Hypoxanthine  0.013.1669989810.1038/ncomms9289     
87 C4H4N2O2 Uracil  0.08.17950109310.1038/ncomms9289     
88 NA Unk_268.9986p_0n_43.8_RB_BiocrustExp  0.043.8119464110.1038/ncomms9289     
89 C9H20N2O2 C9H20N2O2_189.1596p_0n_33.5_RB_BiocrustExp  0.033.4588370710.1038/ncomms9289     
90 C11H23N3O2 C11H23N3O2_230.1837p_0n_30.7_RB_BiocrustExp  0.030.652465410.1038/ncomms9289     
91 C7H15NO2 C7H15NO2_146.1187p_0n_25.5_RB_BiocrustExp  0.025.497016310.1038/ncomms9289     
92 NA Unk_507.2632p_0n_30.1_RB_BiocrustExp  0.030.0792921210.1038/ncomms9289     
93 C10H20N4O4 C10H20N4O4_261.1555p_0n_27.8_RB_BiocrustExp  0.027.7984182210.1038/ncomms9289     
94 NA Unk_729.3423p_0n_28_RB_BiocrustExp  0.028.0260146610.1038/ncomms9289     
95 NA Unk_665.3125p_0n_28.1_RB_BiocrustExp  0.028.0725854710.1038/ncomms9289     
96 NA Unk_288.1902p_0n_25.8_RB_BiocrustExp  0.025.8270823110.1038/ncomms9289     
97 NA Unk_717.3086p_0n_27.1_RB_BiocrustExp  0.027.0537066410.1038/ncomms9289     
98 C9H18N2O4 C9H18N2O4_219.134p_0n_24.2_RB_BiocrustExp  0.024.2096540610.1038/ncomms9289     
99 C11H22N2O3 C11H22N2O3_231.1709p_0n_24_RB_BiocrustExp  0.024.0463375110.1038/ncomms9289     
100 C10H20N2O3 C10H20N2O3_217.1546p_0n_24.2_RB_BiocrustExp  0.024.2121346710.1038/ncomms9289