0  B5R0.1  CC(C)=CCO T4747 [0,0,0,0,0,0|0,1,0]=1
1  B5R0.1  CCCC(=O)O T3943 [0,0,0,0,0,0|3,0,1]=4
2  B5R0.1  NCCC(=O)O T0627 [0,0,0,0,0,0|3,0,1]=4
3  B4R0.1  CCC(=O)O T4908 [1,0,0,0,0,0|2,0,1]=4
4  B4R0.1  CNC(=N)N T4904 [1,0,0,0,0,0|3,0,0]=4
5  B4R0.1  NCC(=O)O T2O2728 [1,0,0,0,0,0|3,0,0]=4
6  B4R0.1  O=CC(=O)O T4843 [1,0,0,0,0,0|2,1,0]=4
7  B4R0.2  CCCCO T7023 [1,0,0,0,0,0|0,1,2]=4
8  B6R0.2  CC(C)=CC(=O)O BBP04714 [0,1,0,0,0,0|0,1,1]=3
9  B6R0.3  CCC(=O)C(=O)O T5060 [0,1,0,0,0,0|3,0,0]=4
10  B6R0.3  N[C@@H](CS)C(=O)O T2O2721 [0,1,0,0,0,0|2,0,1]=4
11  B6R1.2  O=C1CCCC1 T4800 [0,0,0,1,0,0|2,0,1]=4
12  B3R0.1  NCCS T1080 [2,0,0,0,0,0|1,0,1]=4
13  B3R0.2  CC(N)=O BBP01223 [2,0,0,0,0,0|1,1,0]=4
14  B3R0.2  CN(C)C T4827 [2,0,0,0,0,0|1,0,0]=3
15  B5R0.3  CCC(C)C=O T5090 [1,1,0,0,0,0|0,1,1]=4
16  B5R0.5  CC(=O)C(=O)O T4804 [1,1,0,0,0,0|1,1,0]=4
17  B5R0.5  CC(=O)C(C)=O T4774 [1,1,0,0,0,0|1,0,0]=3
18  B5R0.5  CC(C)C(=O)O T4769 [1,1,0,0,0,0|0,1,1]=4