0  B9R0.51  C=CCC[C@@](C)(N)C(=O)O 204517 [2,0,0,0,0,0|1,0,1]=4
1  B9R0.51  C=CCC[C@](C)(N)C(=O)O 204516 [2,0,0,0,0,0|1,0,1]=4