0  B4R0.1  CC(=O)CN 17573 [0,0,0,0,0,0|2,0,2]=4
1  B3R0.1  N(=O)O[O-] 81565 [1,0,0,0,0,0|3,0,0]=4
2  B5R0.3  C(C(CS)O)O 20824 [0,1,0,0,0,0|1,0,2]=4
3  B5R0.3  C([C@H](C=O)O)O 16493 [0,1,0,0,0,0|1,0,0]=2
4  B5R0.5  C(=O)(C(=O)[O-])N 19057 [0,1,0,0,0,0|2,0,1]=4
5  B4R0.3  CN(=O)(C)C 17354 [1,1,0,0,0,0|1,0,0]=3
6  B4R0.3  CS(=O)(=O)C 20131 [1,1,0,0,0,0|1,0,0]=3
7  B6R0.2  CC(CC(=O)O)O 14148 [0,2,0,0,0,0|1,0,0]=3
8  B6R0.2  C[C@@H](CC(=O)[O-])O 21822 [0,2,0,0,0,0|1,0,0]=3
9  B6R0.2  N=C(\N)/SC(C)C 81290 [0,2,0,0,0,0|1,0,0]=3
10  B6R0.3  C(C(=O)C(=O)O)O 21856 [0,2,0,0,0,0|1,0,1]=4
11  B6R0.3  C\C(=N/O)\C(=O)C 20828 [0,2,0,0,0,0|1,0,1]=4
12  B6R0.4  CC(C)CCCO 18446 [0,2,0,0,0,0|0,0,2]=4
13  B6R0.5  C[N+](C)(C)CC=O 17270 [0,2,0,0,0,0|1,0,0]=3