0  B21R0.36399  CCCCCCCCCCCCCCCCCCP(=O)(O)O TS78154 [0,0,0,0,0,0|1,0,0]=1
1  B20R0.31940  CCCCCCCCCCCCCCCCCCC(=O)Cl TS61320 [1,0,0,0,0,0|3,0,0]=4
2  B20R0.31940  CCCCCCCCCCCCCCCCCCC(=O)O TS56070 [1,0,0,0,0,0|2,0,0]=3
3  B20R0.32509  CCCCCCCCCCCCCCCCOP(=O)(O)O TS61730 [1,0,0,0,0,0|1,0,0]=2
4  B20R0.32509  CCCCCCCCCCCCCCCCOP(=O)(O)[O-] TS79536 [1,0,0,0,0,0|1,0,1]=3
5  B22R0.9489  CCCCCCCCC=CCCCCCCCCOP(=O)(O)O TS64644 [0,1,0,0,0,0|1,0,2]=4
6  B19R0.36  CCCCCCCCCCCCCCCCCCCO TS34789 [2,0,0,0,0,0|2,0,0]=4
7  B19R0.149  C(CCCCCCCCBr)CCCCCCCC(=O)O TS78975 [2,0,0,0,0,0|2,0,0]=4
8  B19R0.149  C(CCCCCCCCI)CCCCCCCC(=O)O TS69125 [2,0,0,0,0,0|2,0,0]=4
9  B19R0.149  C(CCCCCCCCO)CCCCCCCC(=O)O TS34993 [2,0,0,0,0,0|2,0,0]=4
10  B19R0.149  CCCCCCCCCCCCCCCCCC(=O)C TS34461 [2,0,0,0,0,0|2,0,0]=4
11  B19R0.149  CCCCCCCCCCCCCCCCCC(=O)Cl TS74824 [2,0,0,0,0,0|2,0,0]=4
12  B19R0.149  CCCCCCCCCCCCCCCCCC(=O)N TS34659 [2,0,0,0,0,0|2,0,0]=4
13  B19R0.149  CCCCCCCCCCCCCCCCCC(=O)O TS34775 [2,0,0,0,0,0|1,0,0]=3
14  B19R0.149  CCCCCCCCCCCCCCCCCC(=O)O TS54859 [2,0,0,0,0,0|1,0,0]=3
15  B19R0.149  CCCCCCCCCCCCCCCCCC(=O)O TS64393 [2,0,0,0,0,0|1,0,0]=3
16  B19R0.149  CCCCCCCCCCCCCCCCCC(=O)O TS78613 [2,0,0,0,0,0|1,0,0]=3
17  B19R0.149  CCCCCCCCCCCCCCCCCC(=O)O TS93617 [2,0,0,0,0,0|1,0,0]=3
18  B19R0.149  CCCCCCCCCCCCCCCCCC(=O)[O-] TS35317 [2,0,0,0,0,0|1,0,1]=4
19  B19R0.149  CCCCCCCCCCCCCCCCCC(=O)[O-] TS65225 [2,0,0,0,0,0|1,0,1]=4
20  B19R0.149  CCCCCCCCCCCCCCCCCC(=O)[O-] TS73332 [2,0,0,0,0,0|1,0,1]=4
21  B19R0.149  CCCCCCCCCCCCCCCCCC(=O)[O-] TS75132 [2,0,0,0,0,0|1,0,1]=4
22  B19R0.149  CCCCCCCCCCCCCCCCCC(=O)[O-] TS75317 [2,0,0,0,0,0|1,0,1]=4
23  B19R0.149  CCCCCCCCCCCCCCCCCC(=O)[O-] TS75527 [2,0,0,0,0,0|1,0,1]=4
24  B19R0.149  CCCCCCCCCCCCCCCCCC(=O)[O-] TS76135 [2,0,0,0,0,0|1,0,1]=4
25  B19R0.149  CCCCCCCCCCCCCCCCCC(=O)[O-] TS84124 [2,0,0,0,0,0|1,0,1]=4
26  B19R0.149  CCCCCCCCCCCCCCCCCC(=O)[O-] TS84270 [2,0,0,0,0,0|1,0,1]=4
27  B19R0.149  CCCCCCCCCCCCCCCCCC(=O)[O-] TS84909 [2,0,0,0,0,0|1,0,1]=4
28  B19R0.149  CCCCCCCCCCCCCCCCCC(C)O TS34788 [2,0,0,0,0,0|2,0,0]=4
29  B19R0.149  CCCCCCCCCSCCCCCCCC(=O)O TS74817 [2,0,0,0,0,0|2,0,0]=4
30  B19R0.3102  CCCCCCCCCCCCCCCCP(=O)(O)O TS60603 [2,0,0,0,0,0|0,0,0]=2
31  B21R0.81  C(CCCCCCCCCBr)CCCCCCCCC(=O)O TS67087 [1,1,0,0,0,0|2,0,0]=4
32  B21R0.81  CCCCCCCCCCCCCCCCCCCC(=O)O TS85298 [1,1,0,0,0,0|2,0,0]=4
33  B21R0.9014  CC(C)CCCCCCCCCCCCCCCCC(=O)O TS76579 [1,1,0,0,0,0|2,0,0]=4
34  B21R0.36766  CCCCCCCCCCCCCCCCCCC(=O)OC TS76578 [1,1,0,0,0,0|2,0,0]=4
35  B21R1.17805  CCCCCCCC[C@@H]1C[C@@H]1CCCCCCCC(=O)O TS58679 [1,0,0,1,0,0|2,0,0]=4