0  B7R1.3  Br[13C]1=[13CH][13CH]=[13CH][13CH]=[13CH]1 HY-W780150 [0,0,0,0,0,0|1,0,0]=1
1  B7R1.3  O=C1C=CC=CN1 HY-Y0191R [0,0,0,0,0,0|2,0,0]=2
2  B7R1.3  OC1=CC=CN=C1 HY-Y1129R [0,0,0,0,0,0|2,0,0]=2
3  B8R1.2  CCC1=NC=CN=C1 HY-W040948R [0,1,0,0,0,0|2,0,0]=3
4  B8R1.3  CC1=CN=C(C)C=N1 HY-34439R [0,1,0,0,0,0|2,0,0]=3
5  B8R1.4  O=C1C=C[15NH][13C](=O)[15NH]1 HY-I0960S [0,1,0,0,0,0|3,0,0]=4
6  B6R0.6  C\C=C\C=C\C=O HY-W068035 [0,0,1,0,0,0|1,0,0]=2
7  B7R1.1  O=CC1=CC=CN1 HY-77817R [0,1,0,0,1,0|1,0,1]=4
8  B9R1.6  CC(=O)C1=CN=CC=N1 HY-W007692R [0,2,0,0,0,0|2,0,0]=4
9  B9R1.6  CC(N)C1=CC=CC=C1 HY-W395204 [0,2,0,0,0,0|0,0,0]=2
10  B9R1.6  CN(C)C1=CC=NC=C1 HY-Y1089R [0,2,0,0,0,0|1,0,0]=3
11  B9R1.6  NC(=O)C1=CC=CC=C1 HY-Z0283R [0,2,0,0,0,0|0,0,1]=3
12  B9R1.6  NC(=O)C1=NC=CC=C1 HY-101020R [0,2,0,0,0,0|1,0,1]=4
13  B9R1.6  [2H]N([2H])C1=CC=CC=C1 HY-W723695 [0,2,0,0,0,0|1,0,0]=3
14  B9R1.69  CC1=C(Br)C=NC(=O)N1 HY-W326740 [0,2,0,0,0,0|2,0,0]=4
15  B9R1.69  CC1=C(N)NC(=O)N=C1 HY-W008091A [0,2,0,0,0,0|2,0,0]=4
16  B9R1.69  CC1=CC(O)=CC=C1O HY-W012817R [0,2,0,0,0,0|0,0,0]=2
17  B9R1.69  [13CH3][13C]1=[13CH][15NH][13C](=O)[15NH][13C]1=O HY-W010450S5 [0,2,0,0,0,0|2,0,0]=4