0  B7R1.2  O=C1CCC(O)N1 BBP01947 [1,0,0,0,0,0|2,0,0]=3
1  B7R1.4  N[C@@H]1CONC1=O T1589 [1,0,0,0,0,0|3,0,0]=4
2  B7R1.4  N[C@H]1CONC1=O T0710 [1,0,0,0,0,0|3,0,0]=4
3  B9R1.138  CC1(C)COC(=O)[C@@H]1O T4828 [0,1,0,0,0,0|1,0,2]=4
4  B7R0.16  CC(C)[C@H](N)C(=O)O T2O2776 [0,0,1,0,0,0|2,0,1]=4
5  B9R1.3  O=C1NCCC(O)C1Cl BBP02836 [0,0,0,0,0,1|2,0,1]=4
6  B9R1.69  CC1=CNC(=O)NC1=O BBP05367 [0,0,0,0,0,1|1,0,2]=4
7  B9R1.69  CC1=CNC(=O)NC1=O TWO2759 [0,0,0,0,0,1|1,0,2]=4
8  B9R1.69  CC1CNC(=O)NC1=O T0532 [0,0,0,0,0,1|1,0,0]=2
9  B6R0.4  CCCCC(=O)O T4792 [1,0,1,0,0,0|0,0,1]=3
10  B6R0.4  NCCCC(=O)O T0508 [1,0,1,0,0,0|1,0,1]=4
11  B6R0.3  CC(CN)C(=O)O T4887 [1,0,1,0,0,0|1,0,1]=4
12  B6R0.3  CCC(=O)C(=O)O T5060 [1,0,1,0,0,0|1,0,0]=3
13  B6R0.3  CCC(O)C(=O)[O-] T4738 [1,0,1,0,0,0|1,0,1]=4
14  B6R0.2  CC(C)=CC(=O)O BBP04714 [1,0,1,0,0,0|1,0,1]=4
15  B6R0.2  CC(C)CC(N)=O T0361 [1,0,1,0,0,0|1,0,1]=4
16  B6R1.2  O=C1CCCC1 T4800 [2,0,0,0,0,0|0,0,1]=3
17  B8R0.8  CCCC[C@H](N)C(=O)O T4765 [0,1,1,0,0,0|1,0,1]=4
18  B8R0.2  CC[C@H](C)[C@H](N)C(=O)O T0063 [0,1,1,0,0,0|1,0,1]=4
19  B8R1.1  COC1CCC(=O)N1 BBP00214 [1,1,0,0,0,0|1,0,0]=3
20  B8R1.1  O=C1CC[C@H](CO)C1 BBP00686 [1,1,0,0,0,0|0,0,1]=3
21  B8R0.23  CC(C)CC(=O)C(=O)O T5071 [0,0,1,0,0,1|1,0,0]=3