0  B7R0.16  CC(C)[C@@H](O)C(=O)O 4139 [0,0,0,0,1,0|1,0,0]=2
1  B6R0.3  CC[C@H](O)C(=O)O 3680 [2,0,0,0,0,0|1,0,0]=3
2  B6R0.3  NC(=O)[C@H](N)CS 361 [2,0,0,0,0,0|2,0,0]=4
3  B6R0.3  O=C(O)[C@@H](O)CO 3697 [2,0,0,0,0,0|2,0,0]=4
4  B8R0.27  CC(C)(C)[C@@H](O)C(=O)O 4582 [0,1,0,0,1,0|1,0,0]=3