0  B5R0.2  C\C=C\CC#N 5324707 [1,0,0,0,0,0|3,0,0]=4
1  B7R0.7  CCOC(=O)CC[NH3+] 10855676 [0,1,0,0,0,0|2,0,0]=3
2  B6R0.2  C[C@@H](CC(=O)[O-])O 23665017 [1,1,0,0,0,0|1,0,1]=4
3  B8R1.50  CN1C(=O)CSC1=S 72900 [0,1,0,1,0,0|1,0,1]=4