0  B4R0.1  CC(=O)NO STR08084 [1,0,0,0,0,0|1,1,1]=4
1  B4R0.1  NCC(=O)O STR01063 [1,0,0,0,0,0|1,1,1]=4
2  B6R0.3  CC(CN)C(=O)O BS-12724 [0,1,0,0,0,0|2,0,1]=4
3  B6R0.3  CC[C@@H](N)C(=O)O DS-13951 [0,1,0,0,0,0|2,0,1]=4
4  B6R0.3  NC[C@H](N)C(=O)O DS-10772 [0,1,0,0,0,0|2,0,1]=4
5  B6R0.3  NC[C@H](N)C(=O)O FS-3898 [0,1,0,0,0,0|2,0,1]=4
6  B6R0.3  N[C@@H](CCl)C(=O)O AS-12232 [0,1,0,0,0,0|2,0,1]=4
7  B6R0.3  N[C@@H](CO)C(=O)O STR02557 [0,1,0,0,0,0|1,1,1]=4
8  B6R0.3  N[C@@H](CS)C(=O)O AS-11682 [0,1,0,0,0,0|1,0,1]=3
9  B3R0.1  NCCS AS-12111 [2,0,0,0,0,0|1,0,0]=3
10  B5R0.4  OCC(Br)(Br)Br AS-13076 [1,1,0,0,0,0|2,0,0]=4
11  B7R0.5  CSC[C@H](N)C(=O)O GS-3468 [0,2,0,0,0,0|1,0,1]=4
12  B7R0.10  COC(=O)[C@@H](N)CS AS-12760 [0,2,0,0,0,0|1,0,1]=4
13  B7R0.10  OC[C@H](O)[C@H](O)CO DS-5851 [0,2,0,0,0,0|0,2,0]=4
14  B7R0.10  O[C@H](CS)[C@H](O)CS AS-57473 [0,2,0,0,0,0|0,1,0]=3
15  B7R0.18  NC(CO)(CO)CO STR03166 [0,2,0,0,0,0|0,2,0]=4
16  B5R1.3  ClCC1CO1 HS-0081 [1,0,0,1,0,0|1,1,0]=4