0  B6R1.2  C1C=C(N=N1)I BC000405 [0,0,0,0,0,0|3,0,1]=4
1  B5R1.1  C1CCOC1 BC000906 [1,0,0,0,0,0|1,0,0]=2
2  B5R0.1  B(CCC)(O)O BC000816 [0,0,1,0,0,0|2,0,1]=4