0  B5R0.3  C=C[C@@H](O)CO 4518 [0,0,0,0,0,0|1,1,1]=3
1  B6R0.1  C[C@@H](CO)CCO 4679 [0,1,0,0,0,0|1,1,0]=3
2  B6R0.3  CC(CO)C(=O)[O-] 4034 [0,1,0,0,0,0|1,1,1]=4
3  B6R0.3  CC[C@H](O)C(=O)O 3680 [0,1,0,0,0,0|1,1,1]=4
4  B6R0.3  NC(=O)[C@H](N)CS 361 [0,1,0,0,0,0|1,0,2]=4
5  B6R0.3  O=C(O)[C@@H](O)CO 3697 [0,1,0,0,0,0|0,2,1]=4
6  B6R0.9  OCC(CO)CO 2901 [0,1,0,0,0,0|0,2,0]=3
7  B3R0.1  COCCl 1789 [2,0,0,0,0,0|2,0,0]=4
8  B5R0.1  COC[C@@H](C)N 3696 [1,1,0,0,0,0|1,0,0]=3
9  B5R0.2  OCCCCF 1386 [1,1,0,0,0,0|1,0,0]=3
10  B7R0.2  CC[C@@H](C)CC(=O)O 911 [0,2,0,0,0,0|2,0,0]=4
11  B7R0.2  CC[C@H](C)CC(=O)O 916 [0,2,0,0,0,0|2,0,0]=4