0  B9R1.11  COC(=O)C1=NNC=N1 HY-W007685 [0,0,0,0,0,0|3,0,0]=3
1  B8R1.7  CC(=O)C1=CC=CN1 HY-W012956 [1,0,0,0,0,0|1,0,0]=2
2  B8R1.7  O=C(O)C1=CC=CN1 HY-W001963 [1,0,0,0,0,0|1,0,0]=2
3  B8R1.7  O=C(O)C1=CNN=C1 HY-W002065 [1,0,0,0,0,0|3,0,0]=4
4  B8R1.7  O=C(O)C1=NN=CN1 HY-107870 [1,0,0,0,0,0|3,0,0]=4
5  B10R1.14  COC(=O)C1=CC(Br)=CN1 HY-W007392 [0,1,0,0,0,0|1,0,0]=2
6  B10R1.15  CNC(=O)C1=NC=CC=C1 HY-Z4481 [0,0,0,0,0,1|2,0,0]=3
7  B10R1.15  COC(=O)C1=CC=CN=C1 HY-B1695 [0,0,0,0,0,1|1,0,0]=2
8  B10R1.15  COC(=O)C1=CC=NC=N1 HY-W043311 [0,0,0,0,0,1|1,0,0]=2
9  B10R1.15  COC(=O)C1=CCCNC1 HY-116490 [0,0,0,0,0,1|1,0,2]=4
10  B10R1.15  COC(=O)C1=CCCNC1 HY-N5016 [0,0,0,0,0,1|1,0,2]=4
11  B10R1.15  O=C(CO)C1=CC=CC=C1 HY-W002198 [0,0,0,0,0,1|3,0,0]=4
12  B7R0.3  CCC(=O)\C=C\C=O HY-N12851 [1,0,1,0,0,0|1,0,1]=4
13  B7R1.1  O=CC1=CC=CN1 HY-77817 [2,0,0,0,0,0|1,0,0]=3
14  B7R1.1  O=CC1=COC=C1 HY-76224 [2,0,0,0,0,0|2,0,0]=4
15  B9R1.35  CC1=CC(C(=O)O)=NN1 HY-33009 [1,1,0,0,0,0|2,0,0]=4
16  B11R1.22  NC1=CC=C(C(=O)O[K])C=C1 HY-B1008A [0,1,0,0,0,1|2,0,0]=4
17  B11R1.314  CN(C)C(=O)C1=CC=C(Cl)S1 HY-W096221 [0,2,0,0,0,0|1,1,0]=4
18  B9R1.6  CC(=O)[13C]1=[13CH][13CH]=[13CH][13CH]=[13CH]1 HY-W782153 [1,0,0,0,0,1|1,0,0]=3
19  B9R1.6  NC(=O)C1=NC=CN=C1 HY-B0271R [1,0,0,0,0,1|2,0,0]=4
20  B9R1.6  [13CH3]C(=O)C1=CC=CC=C1 HY-Y0989S3 [1,0,0,0,0,1|1,0,0]=3