0  B6R0.2  CC(C)=CC(=O)O STR03265 [0,0,0,0,0,0|2,0,1]=3
1  B6R0.2  CC(C)CC(=O)O STR08356 [0,0,0,0,0,0|2,0,0]=2
2  B6R0.2  CC(C)CC(N)=O AS-14001 [0,0,0,0,0,0|1,0,0]=1
3  B6R0.2  CC(O)CC(=O)O VS-08544 [0,0,0,0,0,0|3,0,0]=3
4  B6R0.2  CN(C)CC(=O)O STR05828 [0,0,0,0,0,0|1,0,0]=1
5  B5R0.1  CCCC(=O)[O-] AS-13929 [1,0,0,0,0,0|2,0,0]=3
6  B5R0.1  CNCC(=O)O STR01554 [1,0,0,0,0,0|1,0,0]=2
7  B5R0.1  NCCC(=O)O STR03358 [1,0,0,0,0,0|3,0,0]=4
8  B5R0.1  NOCC(=O)O AS-67289 [1,0,0,0,0,0|3,0,0]=4
9  B7R0.9  C[N+](C)(C)CC(=O)[O-] AS-12941 [0,1,0,0,0,0|1,0,1]=3
10  B7R0.9  C[N+](C)(C)CC(=O)[O-] DS-7421 [0,1,0,0,0,0|1,0,1]=3
11  B7R0.16  CC(C)[C@H](N)C(=O)O AS-12787 [0,1,0,0,0,0|2,0,0]=3
12  B7R0.16  C[C@@H](O)[C@H](N)C(=O)O AS-12789 [0,1,0,0,0,0|3,0,0]=4
13  B5R0.5  CN(C)C(=S)[S-] KS-5358 [0,0,0,0,1,0|1,1,0]=3
14  B7R0.6  CC(=O)CCC(=O)O VS-08535 [0,0,0,0,0,1|3,0,0]=4
15  B7R0.6  CC(=O)NCC(=O)O AS-12785 [0,0,0,0,0,1|3,0,0]=4
16  B4R0.1  CC(=O)NO STR08084 [2,0,0,0,0,0|2,0,0]=4
17  B4R0.1  CSC(=N)N STR00989 [2,0,0,0,0,0|2,0,0]=4
18  B4R0.1  N=C(N)NN AS-11811 [2,0,0,0,0,0|2,0,0]=4
19  B4R0.1  NCC(=O)O STR01063 [2,0,0,0,0,0|1,0,0]=3
20  B4R0.1  NCC(=O)[O-] AS-19944 [2,0,0,0,0,0|1,0,0]=3
21  B6R0.3  CC[C@@H](N)C(=O)O DS-13951 [1,1,0,0,0,0|2,0,0]=4
22  B6R0.7  CC(C)(N)C(=O)O AS-15790 [0,1,0,0,1,0|2,0,0]=4
23  B6R0.7  CC(C)(O)C(=O)O STR04462 [0,1,0,0,1,0|2,0,0]=4
24  B8R0.23  CC(C)CC(N)C(=O)O AS-12287 [0,1,0,0,0,1|2,0,0]=4
25  B8R0.23  CC(C)C[C@H](N)C(=O)O STR01720 [0,1,0,0,0,1|2,0,0]=4
26  B8R0.23  CC(C)C[C@H](O)C(=O)O DS-16256 [0,1,0,0,0,1|2,0,0]=4
27  B8R0.23  CN(C)C(=N)NC(=N)N KS-1272 [0,1,0,0,0,1|1,0,1]=4
28  B8R1.18  CN1CC(=O)N=C1N AS-12671 [0,1,0,1,0,0|0,0,2]=4