0  B5R0.2  NCCCCN T4865 [0,0,0,0,0,0|3,0,1]=4
1  B4R0.2  CCCCO T7023 [1,0,0,0,0,0|0,0,2]=3
2  B4R0.2  NCCCN T4782 [1,0,0,0,0,0|2,0,1]=4
3  B6R0.4  CCCCC(=O)O T4792 [0,1,0,0,0,0|1,0,0]=2
4  B6R0.4  NCCCC(=O)O T0508 [0,1,0,0,0,0|2,0,0]=3
5  B6R0.6  NCCCCCN T4895 [0,1,0,0,0,0|2,0,1]=4
6  B6R1.2  O=C1CCCC1 T4800 [0,0,0,1,0,0|1,0,0]=2
7  B3R0.1  NCCO T4910 [2,0,0,0,0,0|1,0,1]=4
8  B3R0.1  NCCS T1080 [2,0,0,0,0,0|1,0,0]=3
9  B5R0.1  CCCC(=O)O T3943 [1,1,0,0,0,0|0,0,0]=2
10  B5R0.1  NCCC(=O)O T0627 [1,1,0,0,0,0|1,0,0]=3
11  B5R0.3  CCC(C)C=O T5090 [1,1,0,0,0,0|0,0,0]=2
12  B5R0.3  O=CC(O)CO T4918 [1,1,0,0,0,0|0,1,0]=3
13  B7R0.2  COC(=O)CC(C)=O T4851 [0,2,0,0,0,0|0,1,1]=4
14  B7R0.5  CCC[C@H](N)C(=O)O T4788 [0,2,0,0,0,0|1,0,0]=3
15  B7R0.5  NC(CCS)C(=O)O T4863 [0,2,0,0,0,0|2,0,0]=4
16  B7R0.5  N[C@@H](CCO)C(=O)O T4757 [0,2,0,0,0,0|2,0,0]=4
17  B7R0.4  CCCCCC(=O)O T3944 [0,2,0,0,0,0|1,0,0]=3
18  B7R0.4  NCCCCC(=O)O T5089 [0,2,0,0,0,0|1,0,0]=3
19  B7R0.6  CC(=O)NCC(=O)O T4822 [0,2,0,0,0,0|2,0,0]=4
20  B7R0.6  O=C(O)CCC(=O)O BBP02045 [0,2,0,0,0,0|2,0,0]=4
21  B7R0.6  O=C(O)CCC(=O)O T2719 [0,2,0,0,0,0|2,0,0]=4
22  B7R0.6  O=C(O)CC[N+](=O)[O-] BBP03547 [0,2,0,0,0,0|2,0,0]=4
23  B7R0.6  O=C(O)CC[N+](=O)[O-] T3009 [0,2,0,0,0,0|2,0,0]=4
24  B7R1.2  O=C1CCC(O)N1 BBP01947 [0,1,0,1,0,0|2,0,0]=4
25  B7R1.3  O=C1C=CCCN1 BBP02874 [0,1,0,1,0,0|1,0,1]=4
26  B7R1.4  N[C@@H]1CONC1=O T1589 [0,1,0,1,0,0|1,1,0]=4
27  B7R1.4  N[C@H]1CONC1=O T0710 [0,1,0,1,0,0|1,1,0]=4