0  B6R0.5  NCCS(=O)(=O)O T13277 [0,0,0,0,0,0|1,0,0]=1
1  B6R0.5  O=S(=O)([O-])CCS M1653 [0,0,0,0,0,0|0,0,1]=1
2  B5R0.1  CCCC(=O)O B18853 [1,0,0,0,0,0|2,0,0]=3
3  B5R0.1  CCC[C@H](C)O P4807 [1,0,0,0,0,0|3,0,0]=4
4  B5R0.1  CNCC(=O)O S18803 [1,0,0,0,0,0|3,0,0]=4
5  B4R0.1  CC[C@@H](C)O B4806 [2,0,0,0,0,0|2,0,0]=4
6  B4R0.1  CC[C@H](C)O B4805 [2,0,0,0,0,0|2,0,0]=4
7  B4R0.2  NCCCO A18882 [2,0,0,0,0,0|2,0,0]=4
8  B6R0.3  CCC(N)C(=O)O A2780 [1,1,0,0,0,0|2,0,0]=4
9  B6R0.3  CC[C@H](N)C(=O)O H17729 [1,1,0,0,0,0|2,0,0]=4
10  B6R0.3  NCC(N)C(=O)O D14331 [1,1,0,0,0,0|2,0,0]=4
11  B6R0.3  NCC(N)C(=O)O D14332 [1,1,0,0,0,0|2,0,0]=4
12  B6R0.3  NC[C@H](N)C(=O)O A18206 [1,1,0,0,0,0|2,0,0]=4
13  B6R0.3  NC[C@H](O)C(=O)O I4023 [1,1,0,0,0,0|2,0,0]=4
14  B6R0.3  N[C@@H](CS)C(=O)O C0937 [1,1,0,0,0,0|1,0,0]=3
15  B6R0.3  N[C@@H](CS)C(=O)O C0937 [1,1,0,0,0,0|1,0,0]=3
16  B6R0.3  N[C@@H](CS)C(=O)O C2088 [1,1,0,0,0,0|1,0,0]=3
17  B6R0.3  N[C@@H](CS)C(=O)O C2088 [1,1,0,0,0,0|1,0,0]=3
18  B6R0.3  N[C@H](CO)C(=O)O S5985 [1,1,0,0,0,0|1,1,0]=4
19  B6R0.3  N[C@H](CS)C(=O)O C6089 [1,1,0,0,0,0|1,0,0]=3
20  B6R0.4  NCCCC(=O)O A19243 [1,1,0,0,0,0|2,0,0]=4
21  B6R1.2  O=C1CCSC1 T11319 [1,0,0,1,0,0|2,0,0]=4
22  B6R1.11  O=C(O)C1CC1 C1203 [1,0,0,1,0,0|2,0,0]=4
23  B8R1.51  O=S1(=O)CC(Br)CO1 B14260 [0,1,0,1,0,0|1,0,0]=3
24  B8R1.72  O=S1(=O)CCNCC1 T1545 [0,1,0,1,0,0|2,0,0]=4