Note: All values in -Log10(mol/kg)
#|ID|Exp|Pred_Hierarchical clustering|Pred_FDA|Pred_Nearest neighbor|Pred_Consensus
1|96719-69-6|N/A|2.67|2.88|2.93|2.83
2|96719-70-9|N/A|2.77|2.53|2.93|2.74
3|96719-71-0|N/A|2.85|2.62|2.66|2.71
4|96733-88-9|N/A|2.66|2.49|2.72|2.62
5|96892-56-7|N/A|2.49|2.78|2.16|2.47
6|97-81-4|1.58|2.61|1.81|1.99|2.14
7|97106-80-4|N/A|2.86|2.56|2.64|2.69
8|973-28-4|1.59|1.92|4.62|4.02|3.52
9|97416-84-7|N/A|N/A|3.28|2.90|3.09
10|97755-90-3|N/A|N/A|3.61|2.40|3.00
11|97901-22-9|N/A|2.28|2.41|2.02|2.24
12|98043-60-8|N/A|3.29|2.66|2.66|2.87
13|98290-92-7|N/A|3.24|2.64|2.55|2.81
14|98318-25-3|2.72|2.72|1.55|2.22|2.17
15|98383-40-5|3.43|2.75|2.89|2.65|2.77
16|98459-18-8|N/A|N/A|2.49|2.47|2.48
17|98518-99-1|N/A|2.34|2.09|2.42|2.28
18|98519-01-8|N/A|2.29|2.83|2.40|2.51
19|98519-04-1|N/A|2.30|2.40|2.58|2.43
20|98519-06-3|N/A|2.31|2.88|2.40|2.53
21|98519-09-6|N/A|2.30|2.56|2.31|2.39
22|98532-64-0|N/A|2.56|2.73|2.40|2.56
23|98532-66-2|N/A|2.22|3.13|2.40|2.58
24|98532-68-4|N/A|2.21|2.48|2.58|2.42
25|98532-70-8|N/A|2.43|2.71|2.40|2.51
26|98532-71-9|N/A|2.31|1.43|2.40|2.05
27|98532-72-0|N/A|2.82|3.05|2.77|2.88
28|98532-73-1|N/A|2.26|2.65|2.40|2.43
29|98532-74-2|N/A|2.40|2.40|2.42|2.41
30|98532-78-6|N/A|2.18|2.55|2.81|2.51
31|98532-79-7|N/A|2.57|2.73|2.81|2.70
32|98532-80-0|N/A|2.48|2.61|2.81|2.64
33|98532-82-2|N/A|2.18|2.27|2.81|2.42
34|98532-84-4|N/A|2.68|3.10|2.80|2.86
35|98532-85-5|N/A|2.62|2.52|2.81|2.65
36|99-67-2|N/A|2.21|2.39|2.27|2.29
37|99247-33-3|1.22|2.08|1.75|2.14|1.99
38|99294-94-7|N/A|N/A|N/A|3.61|N/A
39|99300-57-9|3.30|4.11|3.85|4.42|4.12
40|99300-58-0|N/A|5.43|4.34|3.83|4.54
41|99300-59-1|N/A|2.87|3.18|2.92|2.99
42|99300-60-4|N/A|3.97|2.73|3.83|3.51
43|99300-61-5|N/A|3.88|4.04|3.83|3.92
44|99300-62-6|N/A|N/A|2.77|2.55|2.66
45|99300-63-7|N/A|3.13|4.05|3.23|3.47
46|99300-64-8|3.34|3.72|3.12|4.23|3.69
47|99313-47-0|N/A|3.27|3.59|2.92|3.26
48|99376-22-4|N/A|N/A|1.93|N/A|N/A
49|99599-74-3|N/A|2.68|2.77|3.06|2.84
50|99599-78-7|N/A|2.69|2.59|3.07|2.78
51|99784-08-4|N/A|1.95|2.44|2.29|2.23
