0  B16R0.1188  CCCCCCCCCCCCOS(=O)(=O)O F14784 [0,0,0,0,0,0|0,0,0]=0
1  B16R0.1188  [2H]C([2H])(O)CCCCCCCCCCCCC D98041 [0,0,0,0,0,0|4,0,0]=4
2  B14R0.392  CCCCCCCCCCCCN=C=O D78449 [2,0,0,0,0,0|2,0,0]=4
3  B16R0.302  CCCCCCCCCCC[C@H](O)CC(=O)O T72017 [1,1,0,0,0,0|2,0,0]=4
4  B18R0.182  CCCCCCCCCCCCCCCS(=O)(=O)[O-] T72668 [0,2,0,0,0,0|1,0,1]=4