0  B5R0.2  C(CCO)CO 8064 [1,0,0,0,0,0|1,1,0]=3
1  B7R0.1  C(CCC#N)CC#N 8128 [0,1,0,0,0,0|1,0,2]=4
2  B7R0.7  CCOC(=O)CC[NH3+] 10855676 [0,1,0,0,0,0|2,0,1]=4
3  B6R0.1  CCCC(C)CO 7745 [1,1,0,0,0,0|0,1,0]=3
4  B8R0.4  C(CCl)OCOCCCl 8147 [0,2,0,0,0,0|2,0,0]=4