0  B5R0.1  B(CCC)(O)O BC000816 [0,0,0,0,0,0|3,0,1]=4
1  B4R0.1  B(CC)(O)O BC000397 [1,0,0,0,0,0|2,0,1]=4
2  B5R1.1  C1CCOC1 BC000906 [1,0,0,1,0,0|0,1,1]=4