0  B7R1.1  O=CC1=CC=CN1 HY-77817 [0,0,0,0,0,0|1,0,0]=1
1  B7R1.1  O=CC1=COC=C1 HY-76224 [0,0,0,0,0,0|2,0,0]=2
2  B8R1.7  CC(=O)C1=CC=CN1 HY-W012956 [0,1,0,0,0,0|1,0,0]=2
3  B8R1.7  O=C(O)C1=CC=CN1 HY-W001963 [0,1,0,0,0,0|1,0,0]=2
4  B8R1.7  O=C(O)C1=CNN=C1 HY-W002065 [0,1,0,0,0,0|3,0,0]=4
5  B8R1.7  O=C(O)C1=NN=CN1 HY-107870 [0,1,0,0,0,0|3,0,0]=4
6  B8R1.7  O=[N+]([O-])C1=NC=CN1 HY-N0195 [0,1,0,0,0,0|3,0,0]=4
7  B8R1.2  ClCC1=CC=CC=N1 HY-W007502 [0,0,0,0,0,1|2,0,1]=4
8  B8R1.2  NCC1=NC=NC=C1 HY-W017769 [0,0,0,0,0,1|2,0,1]=4
9  B8R1.2  OCC1=NC=CC=N1 HY-78975 [0,0,0,0,0,1|1,0,2]=4
10  B8R1.2  OCC1=NC=NC=C1 HY-W017825 [0,0,0,0,0,1|1,0,2]=4
11  B5R0.1  C\C=C\C(C)=O HY-34748 [1,0,1,0,0,0|1,0,1]=4
12  B9R1.6  CC(=O)[13C]1=[13CH][13CH]=[13CH][13CH]=[13CH]1 HY-W782153 [0,1,0,0,0,1|1,0,0]=3
13  B9R1.6  N=C(N)C1=CN=CC=C1 HY-W002264 [0,1,0,0,0,1|2,0,0]=4
14  B9R1.6  NC(=O)C1=NC=CN=C1 HY-B0271R [0,1,0,0,0,1|1,0,0]=3
15  B9R1.6  NC(=S)C1=NC=CN=C1 HY-W129661 [0,1,0,0,0,1|1,1,0]=4
16  B9R1.6  [13CH3]C(=O)C1=CC=CC=C1 HY-Y0989S3 [0,1,0,0,0,1|1,0,0]=3
17  B9R1.15  CC1=C([13CH]=O)C=CC=C1 HY-Y0442S [0,1,0,0,0,1|1,0,0]=3
18  B9R1.22  CC1=NC(C)=C(C=O)N1 HY-65067 [0,2,0,0,0,0|2,0,0]=4
19  B9R1.22  O=C1C=C(Br)\C(=C\Br)O1 HY-131011 [0,2,0,0,0,0|1,0,0]=3
20  B9R1.35  CC1=CC(C(=O)O)=NN1 HY-33009 [0,2,0,0,0,0|2,0,0]=4
21  B7R1.3  OC1=CC=NC=C1 HY-W007690 [0,0,1,1,0,0|2,0,0]=4