0  B7R0.9  CC(C)(C)CC(=O)Cl AC-14006 [0,0,0,0,0,0|2,0,0]=2
1  B7R0.9  CC(C)(C)CC(=O)O AC-14005 [0,0,0,0,0,0|1,0,1]=2
2  B7R0.9  CC(C)(N)CC(=O)O AC-76582 [0,0,0,0,0,0|2,0,1]=3
3  B7R0.9  CS(=O)(=O)CC(=O)O AC-76118 [0,0,0,0,0,0|3,0,1]=4
4  B6R0.2  CN(C)CC(N)=S AC-28389 [1,0,0,0,0,0|1,1,1]=4
5  B6R0.2  C[C@@H](O)CC(=O)O AC-81110 [1,0,0,0,0,0|2,0,1]=4
6  B6R0.2  C[C@@H](O)CC(=O)[O-] AC-77270 [1,0,0,0,0,0|2,0,0]=3
7  B6R0.2  C[C@H](N)CC(=O)O AC-77208 [1,0,0,0,0,0|2,0,1]=4
8  B8R0.24  CC(C)(C)OC(=O)CN AC-61399 [0,1,0,0,0,0|3,0,0]=4
9  B8R0.24  CC(C)(C)OC(=O)CN AC-63195 [0,1,0,0,0,0|3,0,0]=4
10  B8R0.24  CC(C)(C)OC(=O)NO AC-58338 [0,1,0,0,0,0|2,0,1]=4
11  B8R1.51  CC1(C)CCC(=O)N1 AC-44987 [0,0,0,1,0,0|3,0,0]=4
12  B8R1.51  CC1(C)CCC(=O)O1 AC-83139 [0,0,0,1,0,0|3,0,0]=4
13  B8R1.77  CC1(C)CC1C(=O)O AC-93733 [0,0,0,1,0,0|1,0,1]=3
14  B8R1.77  CC1(C)C[C@@H]1C(=O)O AC-77496 [0,0,0,1,0,0|1,0,1]=3
15  B6R0.7  CC(C)(Br)C(=O)Br AC-33430 [0,0,0,0,1,0|3,0,0]=4
16  B6R0.7  CC(C)(Br)C(=O)O AC-13633 [0,0,0,0,1,0|2,0,1]=4
17  B6R0.7  CC(C)(N)C(=O)O AC-22698 [0,0,0,0,1,0|2,0,1]=4
18  B8R0.29  CC(C)(C)NCC(=O)O AC-63194 [0,0,0,0,0,1|1,0,1]=3
19  B8R0.29  CC(C)(N)CNC(N)=O AC-83164 [0,0,0,0,0,1|3,0,0]=4
20  B7R0.16  CC(C)[C@@H](N)C(N)=O AC-61031 [1,1,0,0,0,0|2,0,0]=4
21  B7R0.13  CC(C)(CCl)C(=O)Cl AC-17331 [0,1,0,0,1,0|2,0,0]=4
22  B9R0.25  COC(=O)[C@@H](N)C(C)(C)C AC-77068 [0,2,0,0,0,0|1,0,1]=4
23  B7R1.2  CC1CNC(=O)C1 AC-86644 [1,0,0,1,0,0|2,0,0]=4
24  B7R1.2  CN1CCC(=O)C1 AC-31742 [1,0,0,1,0,0|1,0,1]=4
25  B7R1.12  CC1CC1C(N)=O AC-91394 [1,0,0,1,0,0|2,0,0]=4
26  B7R1.20  O=C(O)CC1CC1 AC-15568 [1,0,0,1,0,0|1,0,1]=4
27  B7R1.19  CC1(C(=O)O)CC1 AC-37948 [0,0,0,1,1,0|1,0,1]=4
28  B9R1.10  CC1(C)CCC(=O)NC1 AC-95878 [0,0,0,1,0,1|2,0,0]=4
29  B9R1.164  CC1(C)CC(C(=O)O)C1 AC-41638 [0,0,0,1,0,1|1,0,1]=4
30  B9R1.66  CC1(C)CC(=O)CCN1 AC-71729 [0,1,0,1,0,0|2,0,0]=4
31  B9R1.66  CC1(C)CC(=O)CCO1 AC-40742 [0,1,0,1,0,0|2,0,0]=4
32  B9R1.66  CC1(C)CCCC(=O)C1 AC-68550 [0,1,0,1,0,0|2,0,0]=4
33  B7R0.6  CC(C)NCC(=O)O AC-84846 [1,0,0,0,0,1|1,0,1]=4