0  B4R0.1  CC(=O)NO STR08084 [0,0,0,0,0,0|2,0,2]=4
1  B4R0.1  CSC(=N)N STR00989 [0,0,0,0,0,0|3,0,1]=4
2  B4R0.1  NCC(=O)O STR01063 [0,0,0,0,0,0|2,0,1]=3
3  B4R0.1  NCC(=O)[O-] AS-19944 [0,0,0,0,0,0|2,0,2]=4
4  B3R0.1  NCCS AS-12111 [1,0,0,0,0,0|1,1,0]=3
5  B5R0.1  CCCC(=O)[O-] AS-13929 [0,1,0,0,0,0|1,0,2]=4
6  B5R0.1  CNCC(=O)O STR01554 [0,1,0,0,0,0|1,0,1]=3
7  B5R0.1  NCCC(=O)O STR03358 [0,1,0,0,0,0|1,0,1]=3
8  B5R0.1  NOCC(=O)O AS-67289 [0,1,0,0,0,0|2,0,1]=4
9  B5R0.4  NCP(=O)(O)O DG-0043 [0,1,0,0,0,0|3,0,0]=4
10  B5R0.4  OCC(Br)(Br)Br AS-13076 [0,1,0,0,0,0|3,0,0]=4
11  B5R1.3  ClCC1CO1 HS-0081 [0,0,0,1,0,0|1,0,0]=2
12  B6R0.2  CC(C)CC(=O)O STR08356 [0,2,0,0,0,0|1,0,1]=4
13  B6R0.2  CC(C)CC(N)=O AS-14001 [0,2,0,0,0,0|1,0,1]=4
14  B6R0.2  CC(O)CC(=O)O VS-08544 [0,2,0,0,0,0|0,0,1]=3
15  B6R0.2  CN(C)CC(=O)O STR05828 [0,2,0,0,0,0|1,0,1]=4
16  B6R0.3  CC(=O)\C(C)=N\O AS-58741 [0,2,0,0,0,0|0,0,2]=4
17  B6R0.3  CC(CN)C(=O)O BS-12724 [0,2,0,0,0,0|1,0,0]=3
18  B6R0.3  CC[C@@H](N)C(=O)O DS-13951 [0,2,0,0,0,0|1,0,0]=3
19  B6R0.3  NC[C@H](N)C(=O)O DS-10772 [0,2,0,0,0,0|1,0,1]=4
20  B6R0.3  NC[C@H](N)C(=O)O FS-3898 [0,2,0,0,0,0|1,0,1]=4
21  B6R0.3  N[C@@H](CCl)C(=O)O AS-12232 [0,2,0,0,0,0|1,0,1]=4
22  B6R0.3  N[C@@H](CO)C(=O)O STR02557 [0,2,0,0,0,0|1,0,1]=4
23  B6R0.3  N[C@@H](CS)C(=O)O AS-11682 [0,2,0,0,0,0|1,0,1]=4
24  B6R0.5  C[N+](C)(C)CCCl KS-5355 [0,2,0,0,0,0|2,0,0]=4
25  B6R0.5  C[N+](C)(C)CCO FS-3795 [0,2,0,0,0,0|2,0,0]=4
26  B6R0.5  NCCS(=O)(=O)O AS-13587 [0,2,0,0,0,0|2,0,0]=4
27  B6R0.7  CC(C)(N)C(=O)O AS-15790 [0,2,0,0,0,0|1,0,1]=4
28  B6R0.7  CC(C)(O)C(=O)O STR04462 [0,2,0,0,0,0|1,0,1]=4