0  B7R1.4  N[C@@H]1CONC1=O T1589 [0,0,0,0,0,0|4,0,0]=4
1  B7R1.4  N[C@H]1CONC1=O T0710 [0,0,0,0,0,0|4,0,0]=4
2  B6R1.2  O=C1CCCC1 T4800 [1,0,0,0,0,0|1,0,0]=2
3  B6R0.3  CC(CN)C(=O)O T4887 [0,0,1,0,0,0|3,0,0]=4
4  B6R0.3  CCC(=O)C(=O)O T5060 [0,0,1,0,0,0|1,0,1]=3
5  B6R0.3  CCC(O)C(=O)[O-] T4738 [0,0,1,0,0,0|3,0,0]=4
6  B6R0.3  C\C=C(\C)C(=O)O T3328 [0,0,1,0,0,0|2,0,1]=4
7  B8R1.4  O=C1CCNC(=O)N1 T4886 [0,0,0,0,0,1|2,0,1]=4
8  B5R0.1  CC(C)=CCO T4747 [1,0,1,0,0,0|1,0,1]=4
9  B5R0.1  CCCC(=O)O T3943 [1,0,1,0,0,0|2,0,0]=4
10  B5R0.1  NCCC(=O)O T0627 [1,0,1,0,0,0|2,0,0]=4
11  B5R0.3  CCC(C)C=O T5090 [1,0,1,0,0,0|0,0,0]=2
12  B5R0.3  O=CC(O)CO T4918 [1,0,1,0,0,0|2,0,0]=4
13  B5R0.5  CC(=O)C(=O)O T4804 [1,0,1,0,0,0|1,0,1]=4
14  B5R0.5  CC(=O)C(C)=O T4774 [1,0,1,0,0,0|0,0,2]=4
15  B5R0.5  CC(C)C(=O)O T4769 [1,0,1,0,0,0|1,0,0]=3
16  B5R0.5  C[C@@H](N)C(=O)O T4811 [1,0,1,0,0,0|2,0,0]=4
17  B5R0.5  C[C@@H](O)[C@@H](C)O T4751 [1,0,1,0,0,0|0,0,2]=4
18  B5R0.5  C[C@H](N)C(=O)O TJO2729 [1,0,1,0,0,0|2,0,0]=4
19  B5R0.5  C[C@H](O)C(=O)O T4845 [1,0,1,0,0,0|1,0,0]=3
20  B7R0.5  CCC[C@H](N)C(=O)O T4788 [0,1,1,0,0,0|2,0,0]=4
21  B7R0.4  CCCCCC(=O)O T3944 [0,1,1,0,0,0|1,0,0]=3
22  B7R0.4  NCCCCC(=O)O T5089 [0,1,1,0,0,0|2,0,0]=4
23  B7R1.2  O=C1CCC(O)N1 BBP01947 [1,1,0,0,0,0|2,0,0]=4
24  B9R1.66  CC1(O)CCOC(=O)C1 T1353 [0,1,0,0,0,1|2,0,0]=4
25  B9R1.106  C[C@]1(O)C(=O)OC[C@H]1O BBP02574 [0,2,0,0,0,0|2,0,0]=4