0  B7R1.2  O=C1CCC(=O)[15NH]1 HY-41877S [0,0,0,0,0,0|3,0,0]=3
1  B6R1.2  CC1=CNN=C1 HY-B0876 [1,0,0,0,0,0|3,0,0]=4
2  B6R1.2  S=C1NCCO1 HY-W038985 [1,0,0,0,0,0|2,0,1]=4
3  B8R1.50  CC1C(=O)CCC1=O HY-W012944 [0,1,0,0,0,0|2,0,1]=4
4  B6R0.2  CC(=O)CC(=O)O HY-112540 [0,0,1,0,0,0|1,0,1]=3
5  B6R0.2  CC(C)=CC(=O)O HY-W010611 [0,0,1,0,0,0|2,0,0]=3
6  B8R1.4  CC1=CC(Br)=NC=C1 HY-W007579 [0,0,0,0,0,1|2,0,1]=4
7  B5R0.1  CNCC(=O)O HY-W012791 [1,0,1,0,0,0|1,0,1]=4
8  B5R0.1  C\C=C\C(C)=O HY-34748 [1,0,1,0,0,0|0,0,0]=2
9  B5R0.1  NOCC(=O)O HY-107994A [1,0,1,0,0,0|2,0,0]=4
10  B7R0.3  CCC(=O)\C=C\C=O HY-N12851 [0,1,1,0,0,0|1,0,1]=4
11  B7R0.4  O=C(O)COCCO HY-W591338A [0,1,1,0,0,0|1,0,1]=4
12  B7R0.4  O=C(O)COCCO HY-W591338B [0,1,1,0,0,0|1,0,1]=4
13  B7R0.4  O=C(O)COCCS HY-140728 [0,1,1,0,0,0|1,0,1]=4
14  B7R1.1  O=CC1=CC=CN1 HY-77817 [1,1,0,0,0,0|2,0,0]=4
15  B7R1.1  O=CC1=COC=C1 HY-76224 [1,1,0,0,0,0|0,0,1]=3
16  B7R1.4  CC1OCCC1=O HY-W010608 [1,1,0,0,0,0|0,0,2]=4
17  B9R1.69  CC1=CNC(=O)NC1=O HY-W010450R [0,1,0,0,0,1|2,0,0]=4
18  B9R1.34  CC1=CC(O)=CC(=O)O1 HY-Y1634 [0,1,0,0,0,1|0,0,2]=4
19  B9R1.35  CC1=CC(C(=O)O)=NN1 HY-33009 [0,2,0,0,0,0|2,0,0]=4
20  B9R1.132  COC1=C(Br)C(=O)CC1 HY-42858 [0,2,0,0,0,0|1,0,0]=3
21  B5R0.5  O=[13C](O)[13C](=O)O HY-Y0262S1 [0,0,1,0,1,0|2,0,0]=4
22  B5R0.5  [13CH3][13C@H](O)[13C](=O)O HY-Y0479S [0,0,1,0,1,0|1,0,1]=4