0  B7R0.16  CC(C)C(Br)C(=O)Cl 477377 [0,0,0,0,0,0|3,0,0]=3
1  B7R0.16  CC(C)[C@@H](Br)C(=O)O 209858 [0,0,0,0,0,0|2,0,0]=2
2  B6R0.3  C=CC(C)C(=O)O 103612 [1,0,0,0,0,0|1,0,2]=4
3  B6R0.3  O=C(O)C(=O)CF 104062 [1,0,0,0,0,0|2,0,1]=4
4  B8R0.23  CC(=O)C(C)CC(=O)O 103634 [0,0,0,0,0,1|1,0,2]=4
5  B5R0.1  CCCS(=O)[O-] 035598 [2,0,0,0,0,0|1,0,1]=4
6  B5R0.1  NC(=O)NCO 101312 [2,0,0,0,0,0|2,0,0]=4
7  B5R0.5  C[C@H](N)C(N)=O 094668 [2,0,0,0,0,0|1,0,0]=3
8  B7R0.2  CNC(=O)CC(C)C 103448 [1,1,0,0,0,0|2,0,0]=4
9  B7R0.13  CC[C@@](C)(N)C(=O)O 048166 [1,1,0,0,0,0|0,0,0]=2
10  B9R0.79  CC(C)C(O)C(N)C(=O)O 330716 [0,1,0,0,0,1|1,0,0]=3
11  B9R0.6  CCOC(=O)C(N)C(C)=O 042670 [0,2,0,0,0,0|0,0,2]=4
12  B9R0.27  COC(=O)C(N)C(=O)OC 067157 [0,2,0,0,0,0|0,0,2]=4
13  B7R1.2  CC1COC(=O)O1 102084 [1,0,0,1,0,0|2,0,0]=4
14  B7R1.12  O=C(O)[C@H]1C[C@@H]1F 037362 [1,0,0,1,0,0|1,0,0]=3
15  B9R1.35  O=C(O)[C@@H]1C[C@@H](F)CN1 222603 [0,0,0,1,0,1|1,0,0]=3
16  B9R1.36  NC1CS(=O)(=O)CC1O 031011 [0,0,0,1,0,1|1,0,1]=4
17  B9R1.41  N[C@H]1CCC[C@H]1C(=O)O 104319 [0,1,0,1,0,0|2,0,0]=4
18  B9R1.41  O=C(O)[C@H]1NCC[C@@H]1O 097769 [0,1,0,1,0,0|0,0,0]=2