0  B5R0.2  C\C=C\CC#N 5324707 [1,0,0,0,0,0|1,0,2]=4
1  B7R0.7  CCOC(=O)CC[NH3+] 10855676 [0,1,0,0,0,0|1,0,1]=3
2  B8R1.18  CN1CC(=O)N=C1N 87972 [0,1,0,1,0,0|2,0,0]=4