0  B8R0.27  CC(C)(C)[C@@H](O)C(=O)O 4582 [0,1,0,0,0,0|2,0,1]=4
1  B5R0.1  COC[C@@H](C)N 3696 [2,0,0,0,0,0|2,0,0]=4
2  B7R0.2  CC[C@@H](C)CC(=O)O 911 [1,1,0,0,0,0|1,0,1]=4
3  B7R0.2  CC[C@H](C)CC(=O)O 916 [1,1,0,0,0,0|1,0,1]=4
4  B7R0.16  CC(C)[C@@H](O)C(=O)O 4139 [1,1,0,0,0,0|1,0,1]=4