0  B5R0.1  CCCC(=O)O T3943 [1,0,0,0,0,0|1,0,1]=3
1  B5R0.1  NCCC(=O)O T0627 [1,0,0,0,0,0|2,0,1]=4
2  B5R0.2  NCCCCN T4865 [1,0,0,0,0,0|2,0,1]=4
3  B5R0.3  CCC(C)C=O T5090 [1,0,0,0,0,0|2,0,0]=3
4  B5R0.3  O=CC(O)CO T4918 [1,0,0,0,0,0|2,0,0]=3
5  B5R0.3  OCC(O)CO BBP03456 [1,0,0,0,0,0|2,0,1]=4
6  B5R0.3  OCC(O)CO T4776 [1,0,0,0,0,0|2,0,1]=4
7  B7R0.5  CCC[C@H](N)C(=O)O T4788 [0,1,0,0,0,0|2,0,0]=3
8  B7R0.5  NC(CCS)C(=O)O T4863 [0,1,0,0,0,0|3,0,0]=4
9  B7R0.5  N[C@@H](CCO)C(=O)O T4757 [0,1,0,0,0,0|3,0,0]=4
10  B7R0.10  OC[C@H](O)[C@H](O)CO BBP01568 [0,1,0,0,0,0|2,0,1]=4
11  B7R0.10  OC[C@H](O)[C@H](O)CO T0583 [0,1,0,0,0,0|2,0,1]=4
12  B7R1.3  O=C1C=CCCN1 BBP02874 [0,0,0,1,0,0|1,0,2]=4
13  B4R0.1  CCC(=O)O T4908 [2,0,0,0,0,0|1,0,1]=4
14  B4R0.2  CCCCO T7023 [2,0,0,0,0,0|0,0,0]=2
15  B4R0.2  NCCCN T4782 [2,0,0,0,0,0|2,0,0]=4
16  B6R0.2  CC(O)CC(=O)O T4947 [1,1,0,0,0,0|1,0,1]=4
17  B6R0.4  CCCCC(=O)O T4792 [1,1,0,0,0,0|1,0,1]=4
18  B6R0.4  NCCCC(=O)O T0508 [1,1,0,0,0,0|1,0,1]=4
19  B6R0.6  NCCCCCN T4895 [1,1,0,0,0,0|1,0,1]=4
20  B8R0.2  CC[C@H](C)[C@H](N)C(=O)O T0063 [0,2,0,0,0,0|2,0,0]=4
21  B8R0.23  CC(C)CC(N)C(=O)O T4772 [0,2,0,0,0,0|2,0,0]=4
22  B8R0.23  CC(C)C[C@H](N)C(=O)O T3O2749 [0,2,0,0,0,0|2,0,0]=4
23  B8R0.3  O=CC[C@H](O)[C@H](O)CO T4818 [0,2,0,0,0,0|1,0,1]=4
24  B8R0.8  CCCC[C@H](N)C(=O)O T4765 [0,2,0,0,0,0|2,0,0]=4
25  B8R0.8  CSCCC(N)C(=O)O TJO2742 [0,2,0,0,0,0|2,0,0]=4
26  B8R0.8  CSCC[C@H](N)C(=O)O T4844 [0,2,0,0,0,0|2,0,0]=4
27  B8R0.8  C[Se]CCC(N)C(=O)O T1658 [0,2,0,0,0,0|2,0,0]=4
28  B8R0.8  NCCC[C@@H](N)C(=O)O T0551 [0,2,0,0,0,0|2,0,0]=4
29  B8R0.8  NCCC[C@H](N)C(=O)O T0737 [0,2,0,0,0,0|2,0,0]=4
30  B8R0.8  NCCC[C@H](N)C(=O)O T2O2701 [0,2,0,0,0,0|2,0,0]=4
31  B8R1.1  C=CC1CNC(=S)O1 T2S1778 [0,1,0,1,0,0|1,0,1]=4
32  B8R1.1  C=C[C@@H]1CNC(=S)O1 BBP02818 [0,1,0,1,0,0|1,0,1]=4
33  B8R1.1  C=C[C@@H]1CNC(=S)O1 T5S0092 [0,1,0,1,0,0|1,0,1]=4
34  B8R1.7  O=C(O)[C@@H]1CCCN1 BBP00795 [0,1,0,1,0,0|2,0,0]=4
35  B8R1.7  O=C(O)[C@@H]1CCCN1 T2O2683 [0,1,0,1,0,0|2,0,0]=4