0  B18R0.171  CCCCCCCCCCCCCCCC(=O)CC S540188 [1,0,0,0,0,0|1,0,2]=4
1  B18R0.221  CCCCCCCCCCCCCCCCCCN R580139 [1,0,0,0,0,0|2,0,0]=3
2  B18R0.221  CCCCCCCCCCCCCCCCCCN S825921 [1,0,0,0,0,0|2,0,0]=3
3  B18R0.221  CCCCCCCCCCCCCCCCCCN S825948 [1,0,0,0,0,0|2,0,0]=3
4  B18R0.221  CCCCCCCCCCCCCCCCCCN S825999 [1,0,0,0,0,0|2,0,0]=3
5  B18R0.221  CCCCCCCCCCCCCCCCCCN S826979 [1,0,0,0,0,0|2,0,0]=3
6  B18R0.221  CCCCCCCCCCCCCCCCCCN S826995 [1,0,0,0,0,0|2,0,0]=3
7  B18R0.221  CCCCCCCCCCCCCCCCCCN S827029 [1,0,0,0,0,0|2,0,0]=3
8  B18R0.221  CCCCCCCCCCCCCCCCCCN S827037 [1,0,0,0,0,0|2,0,0]=3
9  B18R0.221  CCCCCCCCCCCCCCCCCCN S833215 [1,0,0,0,0,0|2,0,0]=3
10  B18R0.221  CCCCCCCCCCCCCCCCCCN S833223 [1,0,0,0,0,0|2,0,0]=3
11  B18R0.221  CCCCCCCCCCCCCCCCCCN S833258 [1,0,0,0,0,0|2,0,0]=3
12  B18R0.221  CCCCCCCCCCCCCCNCCCN PH003653 [1,0,0,0,0,0|2,0,0]=3
13  B18R0.221  CCCCCCCCCSCCCCCCCCC S570281 [1,0,0,0,0,0|3,0,0]=4
14  B20R0.39  CCCCCCCCCCCCCCCCS(=O)CCO S540269 [0,1,0,0,0,0|2,0,1]=4
15  B20R0.112  CCCCCCCCCCCCCC#CC(O)C(N)CO PH006270 [0,1,0,0,0,0|2,0,1]=4
16  B20R0.3037  CCCCCCCCCCCCCCCCC(Br)C(=O)O S415863 [0,1,0,0,0,0|2,0,1]=4
17  B17R0.43  CCCCCCCCCCCCCCCC(=O)C S762911 [2,0,0,0,0,0|0,0,2]=4
18  B17R0.43  CCCCCCCCCCCCCCCC(=O)O S833266 [2,0,0,0,0,0|0,0,2]=4
19  B17R0.117  CCCCCCCCCCCCCCCCNC S595799 [2,0,0,0,0,0|2,0,0]=4
20  B17R0.117  CCCCCCCCCCCCCCCC[Hg]Br S835145 [2,0,0,0,0,0|2,0,0]=4
21  B17R0.117  CCCCCCCCCCCCCCNCCN PH000759 [2,0,0,0,0,0|2,0,0]=4
22  B17R0.195  CCCCCCCCCCCCCCC(N)CO R737488 [2,0,0,0,0,0|1,0,0]=3
23  B19R0.149  CCCCCCCCCCCCCCCCCC(C)O S454699 [1,1,0,0,0,0|1,0,0]=3
24  B19R0.149  CCCCCCCCCCCCCCCCNC(C)C R579807 [1,1,0,0,0,0|2,0,0]=4
25  B19R0.149  CCCCCCCCCCCCCCCCNC(C)C S505897 [1,1,0,0,0,0|2,0,0]=4
26  B19R0.36  CCCCCCCCCCCCCCCCCCC#N S439959 [1,1,0,0,0,0|2,0,0]=4
27  B19R0.36  CCCCCCCCCCCCCCCCCCNC R428248 [1,1,0,0,0,0|2,0,0]=4
28  B19R0.36  CCCCCCCCCCCCCCCCCC[Hg]Br S835153 [1,1,0,0,0,0|2,0,0]=4
29  B19R0.36  CCCCCCCCCCCCCCCCCC[Hg]Cl S572624 [1,1,0,0,0,0|2,0,0]=4
30  B19R0.36  CCCCCCCCCCCCCCCCNCCN PH000856 [1,1,0,0,0,0|2,0,0]=4
31  B19R0.36  CCCCCCCCCCCCCCCCSCCO S507377 [1,1,0,0,0,0|1,0,0]=3
32  B19R0.36  CCCCCCCCCCCCCC[NH2+]CCOCC L498572 [1,1,0,0,0,0|2,0,0]=4
33  B19R0.36  NCCCOCCCCCCCCCCOCCCN S516546 [1,1,0,0,0,0|2,0,0]=4
34  B19R0.25648  CCCCCCCCCCCCCC(=O)OCCCC CDS007175 [1,1,0,0,0,0|1,0,1]=4
35  B21R0.32107  [C@H](N)(CO)[C@H](O)[C@H](O)CCCCCCCCCCCCCC CDS025135 [0,2,0,0,0,0|2,0,0]=4
36  B21R0.32104  CCCCCCCCCCCCCCC(=O)OCC(O)CO CDS014844 [0,2,0,0,0,0|0,0,0]=2