0  B6R0.3  C=CC(=O)C(=O)O AC9460 [0,0,0,0,0,0|1,0,1]=2
1  B6R0.3  C=C[C@H](N)C(=O)O F31036 [0,0,0,0,0,0|2,0,2]=4
2  B6R0.3  CC(C)C(=O)CN AT23528 [0,0,0,0,0,0|3,0,1]=4
3  B6R0.3  C[C@@H](CN)C(=O)O 31999 [0,0,0,0,0,0|2,0,1]=3
4  B6R0.3  N[C@H](CS)S(=O)O D72263 [0,0,0,0,0,0|2,1,1]=4
5  B6R0.3  O=C(CBr)C(F)F AT12824 [0,0,0,0,0,0|3,0,1]=4
6  B5R0.3  C=C[C@@H](N)CO Y14326 [1,0,0,0,0,0|2,0,1]=4
7  B7R0.10  C=C(OC)C(=O)OC 78623 [0,1,0,0,0,0|3,0,0]=4
8  B7R0.13  C[C@](N)(CO)C(=O)O F15126 [0,1,0,0,0,0|1,0,1]=3
9  B7R0.13  NCC(F)(F)C(=O)O AC6133 [0,1,0,0,0,0|2,0,1]=4
10  B7R0.15  CN[C@@H](CS)C(=O)O AC8363 [0,1,0,0,0,0|1,1,1]=4
11  B7R1.12  C[C@@H]1C[C@@H]1C(=O)O 55219 [0,0,0,1,0,0|2,0,1]=4
12  B7R1.12  C[C@@H]1C[C@@H]1C(=O)O P17920 [0,0,0,1,0,0|2,0,1]=4
13  B7R1.12  O=C(O)[C@@H]1C[C@@H]1I CS3132 [0,0,0,1,0,0|2,0,1]=4
14  B7R1.12  O=C(O)[C@@H]1C[C@@H]1I D79124 [0,0,0,1,0,0|2,0,1]=4
15  B7R1.12  O=C(O)[C@H]1C[C@@H]1F P14126 [0,0,0,1,0,0|2,0,1]=4
16  B7R1.18  O=C(O)[C@@H]1CCO1 P18794 [0,0,0,1,0,0|1,0,2]=4
17  B7R1.18  O=C(O)[C@@H]1CCO1 P18795 [0,0,0,1,0,0|1,0,2]=4
18  B6R0.2  O=C(O)CC(F)F P18472 [1,1,0,0,0,0|1,0,1]=4
19  B6R0.4  O=C(O)\C=C\CF AT12709 [1,1,0,0,0,0|1,0,0]=3
20  B6R0.4  O=C(O)\C=C\CO AT11505 [1,1,0,0,0,0|0,0,0]=2
21  B6R0.9  C\C=C(\C=O)CC AC9866 [1,1,0,0,0,0|2,0,0]=4
22  B8R0.3  CO\C=C(/I)C(=O)OC 78865 [0,2,0,0,0,0|1,0,1]=4
23  B8R0.8  N[C@@H](CCCO)C(=O)O 51288 [0,2,0,0,0,0|1,0,1]=4
24  B8R1.1  O=C1C[C@H](CO)CO1 72726 [0,0,0,1,0,1|1,0,1]=4
25  B8R1.4  O=C1C=COC(=O)C1 A11284 [0,0,0,1,0,1|1,0,1]=4
26  B8R1.78  O=C(O)C1(O)COC1 P17225 [0,1,0,1,0,0|0,0,2]=4
27  B8R0.9  CC(=O)NNC(=O)CBr C12845 [0,0,0,0,0,2|2,0,0]=4