0  B5R0.2  CSCSSC NPA000854 [0,0,0,0,0,0|3,0,0]=3
1  B6R0.1  CCCC(=O)CC NPA012016 [0,1,0,0,0,0|2,0,0]=3
2  B6R0.4  C[C@H](CCSC)O NPA014443 [0,1,0,0,0,0|2,0,0]=3
3  B6R1.1  C1CSCCS1 NPA010361 [0,0,0,1,0,0|0,1,0]=2
4  B6R1.8  C1C(C1=O)CO NPA020911 [0,0,0,1,0,0|2,0,1]=4
5  B5R0.1  C(CO)C(=O)O NPA014979 [1,1,0,0,0,0|1,0,1]=4
6  B5R0.1  C=C(C)CCO NPA031414 [1,1,0,0,0,0|0,0,1]=3
7  B5R0.1  CC(=CCO)C NPA031413 [1,1,0,0,0,0|0,0,2]=4
8  B7R0.3  CCC(C)CCCO NPA009905 [0,2,0,0,0,0|1,0,0]=3
9  B7R0.3  CCCCC(C)C=C NPA006261 [0,2,0,0,0,0|2,0,0]=4
10  B7R0.3  CC[C@@H](C#CCO)O NPA000240 [0,2,0,0,0,0|1,0,1]=4
11  B7R0.10  C([C@H]([C@H](CO)O)O)O NPA017638 [0,2,0,0,0,0|2,0,0]=4
12  B7R0.4  NCCNCC(=O)O NPA027411 [0,2,0,0,0,0|1,0,1]=4