0  B5R0.1  CC(=O)OCBr BIM590 [1,0,0,0,0,0|2,0,0]=3
1  B5R0.1  CNCC(=O)O BIS0907 [1,0,0,0,0,0|1,0,0]=2
2  B7R0.5  CCOC(=O)[C@H](C)N BIA0106 [0,1,0,0,0,0|2,0,0]=3
3  B7R0.10  COC(=O)[C@@H](N)CO BIS0720 [0,1,0,0,0,0|1,0,0]=2
4  B7R1.4  NC1CCSC1=O BIH4018 [0,0,0,1,0,0|3,0,0]=4
5  B7R1.4  N[C@H]1CCOC1=O BIH4006 [0,0,0,1,0,0|3,0,0]=4
6  B4R0.1  NCC(=O)O BIG0503 [2,0,0,0,0,0|1,0,0]=3
7  B4R0.1  NCC(=O)O BIG0709 [2,0,0,0,0,0|1,0,0]=3
8  B6R0.3  CCC(=O)C(=O)[O-] BIK8008 [1,1,0,0,0,0|0,0,2]=4
9  B6R0.3  CCN(C)C(=O)Cl BIB6299 [1,1,0,0,0,0|2,0,0]=4
10  B6R0.3  N[C@@H](CO)C(=O)O BIS0718 [1,1,0,0,0,0|1,0,0]=3
11  B6R0.3  N[C@@H](CS)C(=O)O BIC0706 [1,1,0,0,0,0|1,0,0]=3
12  B6R0.3  N[C@@H](CS)C(=O)O BIC0707 [1,1,0,0,0,0|1,0,0]=3
13  B6R0.3  N[C@@H](CS)C(=O)O BIC0709 [1,1,0,0,0,0|1,0,0]=3
14  B6R0.3  [C@@H](N)(CO)C(=O)O BIS2001 [1,1,0,0,0,0|1,0,0]=3
15  B6R0.5  NCCS(=O)(=O)O BIA0603 [1,1,0,0,0,0|2,0,0]=4
16  B6R1.2  N=C1CCCS1 BIM099 [1,0,0,1,0,0|1,1,0]=4
17  B6R1.2  N=C1CCCS1 BIM100 [1,0,0,1,0,0|1,1,0]=4