0  B6R0.1  C[C@@H](CO)CCO 4679 [0,0,0,0,0,0|1,0,0]=1
1  B5R0.1  COC[C@@H](C)N 3696 [1,0,0,0,0,0|3,0,0]=4
2  B5R0.2  OCCCCF 1386 [1,0,0,0,0,0|1,0,0]=2
3  B5R0.3  C=C[C@@H](O)CO 4518 [1,0,0,0,0,0|1,0,2]=4
4  B7R0.2  CC[C@@H](C)CC(=O)O 911 [0,1,0,0,0,0|0,0,1]=2
5  B7R0.2  CC[C@H](C)CC(=O)O 916 [0,1,0,0,0,0|0,0,1]=2
6  B7R1.3  C[C@@H]1CNCCO1 906 [0,0,0,1,0,0|3,0,0]=4
7  B7R1.3  C[C@H]1CNCCO1 907 [0,0,0,1,0,0|3,0,0]=4
8  B7R1.3  NC1CCCCC1 4172 [0,0,0,1,0,0|2,0,0]=3
9  B6R0.9  OCC(CO)CO 2901 [1,1,0,0,0,0|1,0,0]=3
10  B8R0.2  CC[C@H](C)[C@H](O)C(=O)O 4121 [0,2,0,0,0,0|0,0,1]=3
11  B8R1.72  N=S1(=O)CCOCC1 4885 [0,1,0,1,0,0|2,0,0]=4