0  B7R0.2  CC[C@@H](C)CC(=O)O 911 [1,0,0,0,0,0|2,0,0]=3
1  B7R0.2  CC[C@H](C)CC(=O)O 916 [1,0,0,0,0,0|2,0,0]=3
2  B8R0.2  CC[C@H](C)[C@H](O)C(=O)O 4121 [1,1,0,0,0,0|2,0,0]=4
3  B6R0.3  CC[C@H](O)C(=O)O 3680 [1,0,0,0,1,0|2,0,0]=4