0  B21R0.36399  CCCCCCCCCCCCCCCCCCS(=O)(=O)[O-] 4934AL [1,0,0,0,0,0|1,0,2]=4
1  B20R0.2932  CCCCCCCCCCCCCCCCCCCC=O Y8394 [2,0,0,0,0,0|2,0,0]=4
2  B20R0.31940  CCCCCCCCCCCCCCCCCCB(O)O V5983 [2,0,0,0,0,0|1,0,0]=3