ID,name,S_1i,S_1i_CI95,sigma_i,sigma_i_CI95,sigma_1,RMSE
1,formic acid,5.4,0.5,37.5, ,72.0,0.014
2,acetic acid,15.6,1.3,27.9, ,72.0,0.257
*,propionic acid,55.3,4.6,26.2, ,72.0,0.664
3,butyric acid ,199.2,12.1,26.2, ,72.0,0.053
4,oxalic acid,16.8,9.4,62.7,3.4,72.0,0.117
5,methanesulfonic acid,13.9,2.4,53.0, ,72.0,0.002
*,valeric acid,974.6,36.6,26.7, ,72.0,0.073
6,malonic acid ,26.7,5.8,60.5,0.9,72.0,0.068
7,maleic acid,33.4,8.6,55.2,1.5,72.0,0.062
8,caproic acid,4.5e3,4.5e2,27.5, ,72.0,0.037
9,succinic acid,119.1,55.1,64.2,1.8,72.0,0.024
*,glutaric acid,67.3,10.5,53.1,0.8,72.0,0.026
10,malic acid,35.2,15.7,66.2,0.9,72.0,0.021
11,caprylic acid,4.2e4,7.8e3,28.8, ,72.0,0.714
12,adipic acid,596.2,228.0,60.8,2.3,72.0,0.09
13,pelargonic acid,2.0e5,2.2e4,27.9, ,72.0,0.412
*,pinonic acid,3.7e3,1.5e3,52.1,3.6,72.0,0.075
14,citric acid,87.8,48.7,65.1,1.0,72.0,0.067
*,oleic acid,9.9e6,4.4e6,32.2, ,72.0,0.618
15,ricinoleic acid,1.9e6,4.8e5,32.9,1.7,72.0,0.421
16,arachidonic acid,5.2e6,1.5e6,29.0,2.6,72.0,0.003
17,methanol,7.3,0.3,23.5, ,72.0,0.016
18,ethanol,20.1,0.8,22.2, ,72.0,0.458
19,acetone,24.7,2.4,23.5, ,72.0,0.385
20,propan-1-ol,95.0,7.0,24.0, ,72.0,0.394
21,propan-2-ol,69.8,7.6,23.5, ,72.0,0.734
22,ethylene glycol,6.6,0.5,46.6, ,72.0,0.038
23,propylene glycol ,14.8,0.8,35.9, ,72.0,0.07
24,"propane-1,3-diol",12.8,2.2,46.3, ,72.0,0.216
25,pentan-1-ol,1.3e3,1.4e2,25.2, ,72.0,0.105
26,"1,3-butanediol",27.2,3.1,37.0, ,72.0,0.291
27,"1,4-butanediol",22.9,3.6,43.8, ,72.0,0.275
28,glycerol,4.4,0.9,63.0, ,72.0,0.031
29,hexan-1-ol,4.3e3,4.5e2,25.8, ,72.0,0.028
30,hexan-2-ol,2.6e3,1.1e2,24.5, ,72.0,0.374
31,"2,3-dimethylbutan-2-ol",1.2e3,9.7e1,23.7, ,72.0,0.753
32,2-methylpentan-2-ol,1.8e3,1.1e2,23.7, ,72.0,0.317
33,"1,5-pentanediol",355.2,175.9,44.2, ,72.0,0.22
34,heptan-1-ol,2.3e4,3.9e3,26.6, ,72.0,0.108
35,"hexane-1,2-diol",707.7,69.7,23.8, ,72.0,0.364
36,"hexane-1,6-diol",324.1,38.0,42.3,0.7,72.0,0.061
37,"hexane-1,5-diol",234.3,31.5,33.9, ,72.0,0.042
38,"hexane-2,5-diol",132.0,20.1,31.6, ,72.0,0.522
39,octan-1-ol,3.6e4,8.8e3,27.2, ,72.0,0.144
40,"2,3-dihydroxynaphthalene",5.2e4,8.3e3,48.2,1.0,72.0,0.006
41,colamine,6.8,1.2,48.4, ,72.0,0.258
42,pyrrolidine,25.3,6.9,29.7, ,72.0,1.223
43,threamine,9.8,2.5,37.4, ,72.0,0.351
44,3-aminopropan-1-ol,6.5,0.5,44.3, ,72.0,0.046
45,2-(methylamino)ethan-1-ol,9.6,1.3,35.3, ,72.0,0.208
46,piperidine,108.1,37.0,29.5, ,72.0,1.051
47,2-(ethylamino)ethan-1-ol,26.6,8.5,32.2, ,72.0,1.108
48,cyclohexanamine,885.3,140.5,32.1, ,72.0,0.741
49,diolamine,9.8,2.3,47.2, ,72.0,0.035
50,methyl diethanolamine,19.3,2.4,38.2, ,72.0,0.164
51,DL-norleucine,568.3,561.2,68.1,2.4,72.0,0.016
52,hexamethylenetetramine,117.8,6.8,62.3,0.1,72.0,0.006
53,trolamine,23.1,0.2,46.0, ,72.0,0.015
54,levoglucosan,45.3,94.0,69.5,2.0,72.0,0.508
55,D-(+)-maltose,9.0,6.7,63.9,4.8,72.0,0.009
*,SDS,1.4e4,2.7e3,29.0,2.6,72.0,0.591
56,DTAB,8.3e3,2.1e3,28.6,3.6,72.0,0.579
57,CTAB,1.5e5,1.9e4,29.2,1.8,72.0,0.259
58,AOT,1.3e5,2.1e4,27.6,1.4,72.0,0.301
59,Triton X114,5.5e6,1.6e6,30.2,1.4,72.0,0.528
60,Brij35,5.5e6,1.4e6,43.7,1.2,72.0,0.165
61,mono-rhamnolipid,7.7e6,2.7e6,27.0,2.9,72.0,0.858
62,di-rhamnolipid,7.0e6,1.8e6,30.4,2.1,72.0,0.434
63,surfactin,1.4e7,7.7e6,27.9,5.6,72.0,0.191
64,syringafactin B/C,4.3e5,1.8e5,19.7,6.2,72.0,0.609
65,viscosin,8.4e6,4.2e6,23.9,5.8,72.0,0.359
66,Suwannee river fulvic acid,1.3e4,3.7e3,39.9,2.7,72.0,0.276
67,NAFA,8.5e4,3.3e4,45.1,5.0,72.0,0.156
68,Humic acid,1.7e4,1.4e4,54.0,3.9,72.0,0.045
69,HULIS,1.9e5,1.6e5,45.5,5.9,72.0,0.229
70,Macromolecules EPS,5.4e7,3.1e7,56.0,2.6,72.0,0.209