0  B7R0.7  CCOC(=O)CC[NH3+] 10855676 [1,0,0,0,0,0|1,0,0]=2
1  B9R0.5  CCCC(=O)NCCSC 2245988 [0,1,0,0,0,0|1,0,0]=2
2  B9R1.15  CCN1CCCSC1=S 275659 [0,0,0,1,0,0|1,2,0]=4