0  B3R0.1  NCCS BIC2510 [0,0,0,0,0,0|4,0,0]=4
1  B4R0.1  C[C@@H](N)CO BIA0108 [0,1,0,0,0,0|3,0,0]=4
2  B4R0.1  C[C@H](N)CO BIA0120 [0,1,0,0,0,0|3,0,0]=4
3  B3R0.2  CS(C)=O BID1200 [1,1,0,0,0,0|0,0,1]=3
4  B5R0.1  CC(=O)OCBr BIM590 [0,2,0,0,0,0|1,1,0]=4
5  B5R0.5  CC(=O)C([13CH3])=O BID0431 [0,2,0,0,0,0|2,0,0]=4
6  B5R0.5  CC(=O)N(C)C BIA3145 [0,2,0,0,0,0|2,0,0]=4
7  B5R0.2  NCCCCN BIB6265 [0,2,0,0,0,0|2,0,0]=4
8  B5R0.2  NCCCCN BIP0733 [0,2,0,0,0,0|2,0,0]=4