0  B4R0.1  CC(=O)NO STR08084 [0,0,0,0,0,0|2,0,2]=4
1  B3R0.1  NCCS AS-12111 [1,0,0,0,0,0|1,1,1]=4
2  B3R0.2  NC(N)=O STR00449 [1,0,0,0,0,0|2,0,1]=4
3  B5R0.5  CN(C)C(=S)[S-] KS-5358 [0,1,0,0,0,0|1,1,0]=3
4  B5R0.5  O=C(O)C(=O)O STR01359 [0,1,0,0,0,0|2,0,1]=4
5  B5R0.5  O=C([O-])C(Cl)Cl AS-58721 [0,1,0,0,0,0|2,0,0]=3
6  B5R1.3  ClCC1CO1 HS-0081 [0,0,0,1,0,0|2,0,1]=4
7  B6R0.2  CC(C)=CC(=O)O STR03265 [0,2,0,0,0,0|0,0,1]=3
8  B6R0.2  CC(C)CC(=O)O STR08356 [0,2,0,0,0,0|0,0,0]=2
9  B6R0.2  CC(C)CC(N)=O AS-14001 [0,2,0,0,0,0|0,0,0]=2
10  B6R0.2  CC(O)CC(=O)O VS-08544 [0,2,0,0,0,0|1,0,0]=3
11  B6R0.2  CN(C)CC(=O)O STR05828 [0,2,0,0,0,0|1,0,0]=3
12  B6R0.3  CC(=O)\C(C)=N\O AS-58741 [0,2,0,0,0,0|1,0,1]=4
13  B6R0.3  CC(CN)C(=O)O BS-12724 [0,2,0,0,0,0|0,0,0]=2
14  B6R0.3  CC[C@@H](N)C(=O)O DS-13951 [0,2,0,0,0,0|1,0,0]=3
15  B6R0.3  NC[C@H](N)C(=O)O DS-10772 [0,2,0,0,0,0|1,0,0]=3
16  B6R0.3  NC[C@H](N)C(=O)O FS-3898 [0,2,0,0,0,0|1,0,0]=3
17  B6R0.3  N[C@@H](CCl)C(=O)O AS-12232 [0,2,0,0,0,0|1,0,0]=3
18  B6R0.3  N[C@@H](CO)C(=O)O STR02557 [0,2,0,0,0,0|1,0,0]=3
19  B6R0.3  N[C@@H](CS)C(=O)O AS-11682 [0,2,0,0,0,0|1,0,0]=3
20  B6R0.3  O=C([O-])C(=O)CS EK-0017 [0,2,0,0,0,0|1,0,1]=4
21  B6R0.7  CC(C)(N)C(=O)O AS-15790 [0,2,0,0,0,0|0,0,0]=2
22  B6R0.7  CC(C)(O)C(=O)O STR04462 [0,2,0,0,0,0|0,0,0]=2