0  B4R0.1  NCC(O)=O DB00145 [1,0,0,0,0,0|1,1,1]=4
1  B3R0.2  CS(C)=O DB01093 [2,0,0,0,0,0|1,1,0]=4
2  B5R0.5  CC(O)C(O)=O DB04398 [1,1,0,0,0,0|0,1,1]=4