0  B22R0.9489  CCCCCCCCC=CCCCCCCCCOP(=O)(O)O TS64644 [0,0,0,0,0,0|2,0,2]=4
1  B21R0.81  C(CCCCCCCCCBr)CCCCCCCCC(=O)O TS67087 [1,0,0,0,0,0|3,0,0]=4
2  B21R0.81  CCCCCCCCCCCCCCCCCCCC(=O)O TS85298 [1,0,0,0,0,0|2,0,0]=3
3  B21R0.36399  CCCCCCCCCCCCCCCCCCP(=O)(O)O TS78154 [1,0,0,0,0,0|0,0,0]=1
4  B20R0.2932  CCCCCCCCCCCCCCCCCCCC=O TS58689 [2,0,0,0,0,0|2,0,0]=4
5  B20R0.2932  CCCCCCCCCCCCCCCCCCCCO TS32870 [2,0,0,0,0,0|2,0,0]=4
6  B20R0.31940  CCCCCCCCCCCCCCCCCCC(=O)Cl TS61320 [2,0,0,0,0,0|2,0,0]=4
7  B20R0.31940  CCCCCCCCCCCCCCCCCCC(=O)O TS56070 [2,0,0,0,0,0|1,0,0]=3
8  B20R0.32509  CCCCCCCCCCCCCCCCOP(=O)(O)O TS61730 [2,0,0,0,0,0|1,0,0]=3
9  B20R0.32509  CCCCCCCCCCCCCCCCOP(=O)(O)[O-] TS79536 [2,0,0,0,0,0|1,0,1]=4
10  B22R0.2907  CCCCCCCCCCCCCCCCCCCCC(=O)O TS63443 [1,1,0,0,0,0|2,0,0]=4
11  B22R0.9148  CC(C)CCCCCCCCCCCCCCCCCC(=O)O TS63438 [1,1,0,0,0,0|2,0,0]=4
12  B22R0.37964  CCCCCCCCCCCCCCCCCCCC(=O)OC TS63439 [1,1,0,0,0,0|2,0,0]=4
13  B22R0.37967  CCCCCCCCCCCCCCCCCCC(C(=O)O)O TS63553 [1,1,0,0,0,0|2,0,0]=4
14  B24R0.25756  CCCCCCCCCCCCCCC[C@H]([C@H](COP(=O)(O)O)N)O TS67218 [0,2,0,0,0,0|2,0,0]=4