0  B5R0.1  CC(C)=CCO T4747 [0,0,0,0,0,0|0,0,2]=2
1  B4R0.1  O=CC(=O)O T4843 [1,0,0,0,0,0|2,0,0]=3
2  B6R0.2  CC(C)=CC(=O)O BBP04714 [0,1,0,0,0,0|0,0,0]=1
3  B6R0.2  CC(C)CC(N)=O T0361 [0,1,0,0,0,0|0,0,2]=3
4  B6R0.2  CC(O)CC(=O)O T4947 [0,1,0,0,0,0|1,0,2]=4
5  B6R0.3  C\C=C(\C)C(=O)O T3328 [0,1,0,0,0,0|3,0,0]=4
6  B3R0.2  CC(N)=O BBP01223 [2,0,0,0,0,0|1,0,0]=3
7  B3R0.2  CN(C)C T4827 [2,0,0,0,0,0|1,0,1]=4
8  B3R0.2  NC(N)=O T0738 [2,0,0,0,0,0|2,0,0]=4
9  B3R0.2  O=C([O-])[O-] T3249 [2,0,0,0,0,0|2,0,0]=4
10  B5R0.3  CCC(C)C=O T5090 [1,1,0,0,0,0|0,0,1]=3
11  B5R0.3  O=CC(O)CO T4918 [1,1,0,0,0,0|1,0,1]=4
12  B5R0.5  CC(=O)C(=O)O T4804 [1,1,0,0,0,0|1,0,0]=3
13  B5R0.5  CC(=O)C(C)=O T4774 [1,1,0,0,0,0|1,0,0]=3
14  B5R0.5  CC(C)C(=O)O T4769 [1,1,0,0,0,0|0,0,1]=3
15  B5R0.5  C[C@@H](N)C(=O)O T4811 [1,1,0,0,0,0|1,0,1]=4
16  B5R0.5  C[C@H](N)C(=O)O TJO2729 [1,1,0,0,0,0|1,0,1]=4
17  B5R0.5  C[C@H](O)C(=O)O T4845 [1,1,0,0,0,0|1,0,1]=4
18  B5R0.5  O=C(O)C(=O)O T2O2680 [1,1,0,0,0,0|2,0,0]=4
19  B5R0.5  O=C(O)C(=O)O T5064 [1,1,0,0,0,0|2,0,0]=4
20  B7R0.2  COC(=O)CC(C)=O T4851 [0,2,0,0,0,0|1,0,1]=4
21  B7R0.9  CC(=O)CC(C)(C)N BBP01274 [0,2,0,0,0,0|0,0,2]=4
22  B7R0.9  CC(C)(O)CC(=O)O T0613 [0,2,0,0,0,0|0,0,2]=4
23  B7R0.9  C[N+](C)(C)CC(=O)O T0019 [0,2,0,0,0,0|1,0,1]=4
24  B7R0.9  C[N+](C)(C)CC(=O)[O-] T3243 [0,2,0,0,0,0|1,0,1]=4
25  B7R0.16  CC(C)[C@H](N)C(=O)O T2O2776 [0,2,0,0,0,0|0,0,2]=4
26  B7R0.6  CC(=O)NCC(=O)O T4822 [0,2,0,0,0,0|1,0,1]=4
27  B7R0.6  O=C(O)\C=C/C(=O)O T4913 [0,2,0,0,0,0|2,0,0]=4
28  B7R0.6  O=C(O)\C=C\C(=O)O BBP00430 [0,2,0,0,0,0|2,0,0]=4
29  B7R0.6  O=C(O)\C=C\C(=O)O T3763 [0,2,0,0,0,0|2,0,0]=4
30  B7R1.1  COC1=COC=C1 BBP00343 [0,1,0,1,0,0|0,0,2]=4
31  B7R1.3  O=C1C=CCCN1 BBP02874 [0,1,0,1,0,0|2,0,0]=4