0  B5R0.2  C(CCO)CO 8064 [0,0,0,0,0,0|4,0,0]=4
1  B6R0.1  CCCC(C)CO 7745 [0,1,0,0,0,0|3,0,0]=4
2  B7R0.7  CCOC(=O)CC[NH3+] 10855676 [0,2,0,0,0,0|1,1,0]=4