0  B9R1.35  CC1=CC(C(=O)O)=NN1 HY-33009 [0,0,0,0,0,0|0,0,0]=0
1  B8R1.7  CC(=O)C1=CC=CN1 HY-W012956 [1,0,0,0,0,0|2,0,1]=4
2  B8R1.7  O=C(O)C1=CC=CN1 HY-W001963 [1,0,0,0,0,0|1,0,1]=3
3  B8R1.7  O=C(O)C1=CNN=C1 HY-W002065 [1,0,0,0,0,0|2,0,0]=3
4  B8R1.7  O=C(O)C1=NN=CN1 HY-107870 [1,0,0,0,0,0|1,0,1]=3
5  B10R1.14  COC(=O)C1=CC(Br)=CN1 HY-W007392 [0,1,0,0,0,0|2,0,1]=4
6  B10R1.31  CC(=O)C1=NC=C(CO)N1 HY-139094 [0,1,0,0,0,0|3,0,0]=4
7  B10R1.13  O=C(O)C1=CC=C(Br)C=C1 HY-78700 [0,0,0,0,0,1|3,0,0]=4
8  B10R1.13  O=C(O)C1=CC=C(O)N=C1 HY-W001996R [0,0,0,0,0,1|2,0,1]=4
9  B10R1.13  O=C(O)[13C]1=[13CH][13CH]=[13C](O)[13CH]=[13CH]1 HY-Y0264S [0,0,0,0,0,1|3,0,0]=4
10  B10R1.13  O=[13C](O)C1=CC=C(O)C=C1 HY-Y0264S2 [0,0,0,0,0,1|3,0,0]=4
11  B10R1.54  CC(=O)NC1=NNC(=S)S1 HY-W028686 [0,0,0,0,0,1|3,0,0]=4
12  B10R1.54  CN1C=NC(CC(=O)O)=C1 HY-W060470 [0,0,0,0,0,1|2,0,0]=3
13  B10R1.113  O=C(O)C1=CC(Cl)=NC=N1 HY-W005983 [0,0,0,0,0,1|1,0,1]=3
14  B10R1.113  O=C(O)C1=CC=CC(Br)=C1 HY-Y0188 [0,0,0,0,0,1|3,0,0]=4
15  B7R0.6  O=[13C](O)\C=C\[13C](=O)O HY-W015883S1 [1,0,1,0,0,0|2,0,0]=4
16  B7R1.1  O=CC1=CC=CN1 HY-77817 [2,0,0,0,0,0|1,0,1]=4
17  B7R1.1  O=CC1=COC=C1 HY-76224 [2,0,0,0,0,0|2,0,0]=4
18  B9R1.11  COC(=O)C1=NNC=N1 HY-W007685 [1,1,0,0,0,0|1,0,0]=3
19  B11R1.166  O=C(O)C1=CNC(=S)NC1=O HY-W052750 [0,1,0,0,0,1|2,0,0]=4
20  B11R1.314  NC(C(=O)O)C1=CC(=O)NO1 HY-N2311 [0,1,0,0,0,1|2,0,0]=4
21  B11R1.74  O=C1C=C(C(=O)O)NC(=O)N1 HY-N0157R [0,1,0,0,0,1|1,0,1]=4
22  B11R1.75  CC1=NN=C(SCC(=O)O)N1 HY-112575 [0,0,0,0,0,2|1,0,1]=4