0  B4R0.1  CC(=O)CN 17573 [0,1,0,0,0,0|0,0,2]=3
1  B4R0.1  CSC(=N)N 81300 [0,1,0,0,0,0|2,0,1]=4
2  B4R0.3  CN(=O)(C)C 17354 [0,1,0,0,0,0|1,0,1]=3
3  B4R0.3  CS(=O)(=O)C 20131 [0,1,0,0,0,0|1,0,1]=3
4  B1R0.1  [Na]S 10012555 [2,0,0,0,0,0|1,1,0]=4
5  B3R0.1  N(=O)O[O-] 81565 [1,1,0,0,0,0|2,0,0]=4
6  B5R0.3  C(C(CS)O)O 20824 [0,2,0,0,0,0|0,0,0]=2
7  B5R0.3  C([C@H](C=O)O)O 16493 [0,2,0,0,0,0|0,0,1]=3