0  B10R0.31  CC(=O)OC(C)C[N+](C)(C)C RT4909 [0,0,0,0,0,0|0,0,0]=0
1  B10R0.31  CC(CC(=O)Cl)CC(C)(C)C JZ0075 [0,0,0,0,0,0|3,0,0]=3
2  B10R0.31  CC(CC(=O)O)CC(C)(C)C HL1902 [0,0,0,0,0,0|3,0,0]=3
3  B10R0.31  CC(C[N+](C)(C)C)OC(N)=O HL0084 [0,0,0,0,0,0|1,0,0]=1
4  B10R0.31  C[C@@H](C[N+](C)(C)C)OC(N)=O RT0610 [0,0,0,0,0,0|1,0,0]=1
5  B10R0.31  C[C@H](C[N+](C)(C)C)OC(N)=O RT0609 [0,0,0,0,0,0|1,0,0]=1
6  B10R0.31  C[N+](C)(C)CC(O)CC(=O)O JZ1405 [0,0,0,0,0,0|3,0,0]=3
7  B10R0.31  C[N+](C)(C)CC(O)CC(=O)[O-] LT7550 [0,0,0,0,0,0|3,0,0]=3
8  B10R0.31  C[N+](C)(C)C[C@@H](N)CC(=O)[O-] RT4712 [0,0,0,0,0,0|3,0,0]=3
9  B10R0.31  C[N+](C)(C)C[C@@H](O)CC(=O)[O-] LX2666 [0,0,0,0,0,0|3,0,0]=3
10  B10R0.31  C[N+](C)(C)C[C@H](O)CC(=O)O LT4103 [0,0,0,0,0,0|3,0,0]=3
11  B9R0.56  C[N+](C)(C)CCOC(N)=O HL1007 [1,0,0,0,0,0|1,0,0]=2
12  B9R0.56  C[N+](C)(C)C\C=C\C(=O)[O-] RT0539 [1,0,0,0,0,0|2,0,1]=4
13  B9R0.56  C[N+](C)(C)NCCC(=O)[O-] JZ0654 [1,0,0,0,0,0|3,0,0]=4
14  B11R0.308  C[N+](C)(C)C[C@@H](O)C(N)C(=O)[O-] RT4717 [0,1,0,0,0,0|3,0,0]=4
15  B9R0.57  CC(C)(C)C[C@@H](N)C(=O)O YH92132 [0,0,0,0,1,0|3,0,0]=4
16  B8R0.5  COCC(C)OC(C)=O LQ0411 [2,0,0,0,0,0|1,0,0]=3
17  B8R0.21  CC(C)(S)CCOC=O RT1370 [2,0,0,0,0,0|2,0,0]=4
18  B8R0.28  C=C(C)CCOC(C)=O LQ2782 [2,0,0,0,0,0|1,0,1]=4
19  B8R0.28  CC(=O)NCCC(C)C YH32371 [2,0,0,0,0,0|2,0,0]=4
20  B10R0.60  C=CC(=O)OCC[N+](C)(C)C LT1476 [1,1,0,0,0,0|0,0,1]=3
21  B10R0.60  COC(=O)CCC[N+](C)(C)C JZ3701 [1,1,0,0,0,0|1,0,0]=3
22  B10R0.113  C[N+](C)(C)CCOP(=O)([O-])[O-] RT19122 [1,1,0,0,0,0|2,0,0]=4
23  B10R0.138  CC(=O)O[C@@H](C#N)C(C)(C)C LQ5490 [0,1,0,0,1,0|1,0,1]=4
24  B10R1.329  CC1CC(=O)CC(C)(C)C1 XJ1432 [1,0,0,1,0,0|2,0,0]=4
25  B8R0.29  C[Si](C)(C)CCC(=O)[O-] RT1133 [1,0,0,0,1,0|2,0,0]=4
26  B10R0.96  CC(=O)OCC(C)OC(C)=O LQ5556 [1,0,0,0,0,1|2,0,0]=4
27  B10R0.96  CC(=O)OCC(C)OC(C)=O XJ1160 [1,0,0,0,0,1|2,0,0]=4
28  B12R0.140  CC(=O)OCCC(C)CC(C)(C)C LQ5402 [0,0,0,0,0,2|1,0,0]=3