0  B5R0.2  CSCCCCl Y14621 [0,0,0,0,0,0|2,0,2]=4
1  B5R0.2  N#CCCC=O F20778 [0,0,0,0,0,0|1,0,1]=2
2  B5R0.2  NOCCON D72368 [0,0,0,0,0,0|4,0,0]=4
3  B4R0.2  CNCCF AC6046 [1,0,0,0,0,0|2,0,1]=4
4  B6R1.2  BrC1=CC=NO1 A51037 [0,0,0,1,0,0|3,0,0]=4
5  B6R1.2  FC1=CSC=C1 T72274 [0,0,0,1,0,0|2,0,1]=4
6  B6R1.2  O=C1NN=CO1 D96956 [0,0,0,1,0,0|3,0,0]=4
7  B6R1.4  N[C@H]1CNC1=O P11921 [0,0,0,1,0,0|2,0,1]=4
8  B5R0.1  C=CC[C@H](C)N D84793 [1,1,0,0,0,0|0,0,1]=3
9  B5R0.3  C=C[C@@H](N)CC 68012 [1,1,0,0,0,0|0,0,1]=3
10  B5R0.3  C=C[C@@H](N)CO Y14326 [1,1,0,0,0,0|0,0,1]=3
11  B7R0.3  CNC(=O)CCCO F10217 [0,2,0,0,0,0|1,0,1]=4
12  B7R0.11  CCC(C)(C)CC=O Y14611 [0,2,0,0,0,0|0,0,2]=4
13  B7R0.4  CC(=O)OCCCO Y14698 [0,2,0,0,0,0|1,0,1]=4
14  B7R1.1  OC[C@@H]1C=CCC1 74782 [0,1,0,1,0,0|0,0,2]=4
15  B7R1.2  C[C@@H]1COC(=O)C1 64712 [0,1,0,1,0,0|1,0,1]=4
16  B7R1.2  C[C@@H]1COC(=O)C1 69011 [0,1,0,1,0,0|1,0,1]=4
17  B7R1.2  NC1=NCC(=O)S1 C13281 [0,1,0,1,0,0|2,0,0]=4
18  B7R1.2  N[C@@H]1CCC(=O)N1 D72820 [0,1,0,1,0,0|1,0,1]=4
19  B7R1.2  N[C@@H]1CNC(=O)C1 P12719 [0,1,0,1,0,0|1,0,1]=4
20  B7R1.2  O=C1C=C[C@@H](O)C1 86273 [0,1,0,1,0,0|0,0,0]=2
21  B7R1.4  CN1CC=CC1=O N13365 [0,1,0,1,0,0|1,0,0]=3
22  B7R1.4  C[C@H]1CCNC1=O D72754 [0,1,0,1,0,0|0,0,2]=4
23  B7R1.10  O=C1C[C@H](CI)N1 W18669 [0,1,0,1,0,0|1,0,1]=4
24  B7R1.10  O=C1C[C@H](CO)N1 AT19035 [0,1,0,1,0,0|1,0,1]=4
25  B7R1.10  O=C1C[C@H](CO)N1 AT19036 [0,1,0,1,0,0|1,0,1]=4
26  B7R1.12  C[C@@H]1C[C@@H]1C(=O)O 55219 [0,1,0,1,0,0|0,0,2]=4
27  B7R1.12  C[C@@H]1C[C@@H]1C(=O)O P17920 [0,1,0,1,0,0|0,0,2]=4
28  B7R1.12  O=C(O)[C@@H]1C[C@@H]1I CS3132 [0,1,0,1,0,0|1,0,1]=4
29  B7R1.12  O=C(O)[C@@H]1C[C@@H]1I D79124 [0,1,0,1,0,0|1,0,1]=4
30  B7R1.12  O=C(O)[C@H]1C[C@@H]1F P14126 [0,1,0,1,0,0|1,0,1]=4
31  B7R1.18  O=C(O)[C@@H]1CCO1 P18794 [0,1,0,1,0,0|1,0,1]=4
32  B7R1.18  O=C(O)[C@@H]1CCO1 P18795 [0,1,0,1,0,0|1,0,1]=4