0  B10R1.113  C[N+]1=CC(C(=O)[O-])=CC=C1 HY-N0414 [0,0,0,0,0,0|4,0,0]=4
1  B10R1.113  C[N+]1=CC(C(=O)[O-])=CC=C1 HY-N0414R [0,0,0,0,0,0|4,0,0]=4
2  B10R1.113  O=C(O)C1=CC(Cl)=NC=N1 HY-W005983 [0,0,0,0,0,0|4,0,0]=4
3  B10R1.113  O=C(O)C1=CC=CC(Br)=C1 HY-Y0188 [0,0,0,0,0,0|4,0,0]=4
4  B9R1.6  CC(=O)[13C]1=[13CH][13CH]=[13CH][13CH]=[13CH]1 HY-W782153 [1,0,0,0,0,0|2,0,0]=3
5  B9R1.6  NC(=O)C1=NC=CN=C1 HY-B0271R [1,0,0,0,0,0|3,0,0]=4
6  B9R1.6  [13CH3]C(=O)C1=CC=CC=C1 HY-Y0989S3 [1,0,0,0,0,0|2,0,0]=3
7  B11R1.159  CC(=O)C1=CC=CC(O)=C1N HY-109690 [0,1,0,0,0,0|3,0,0]=4
8  B8R1.2  NCC1=NC=NC=C1 HY-W017769 [2,0,0,0,0,0|1,0,1]=4
9  B8R1.2  OCC1=NC=NC=C1 HY-W017825 [2,0,0,0,0,0|0,0,2]=4
10  B8R1.4  CC1=CC(Br)=NC=C1 HY-W007579 [2,0,0,0,0,0|2,0,0]=4
11  B10R1.15  CNC(=O)C1=NC=CC=C1 HY-Z4481 [1,1,0,0,0,0|1,0,0]=3
12  B10R1.15  COC(=O)C1=CC=NC=N1 HY-W043311 [1,1,0,0,0,0|0,0,0]=2
13  B10R1.15  O=C(CO)C1=CC=CC=C1 HY-W002198 [1,1,0,0,0,0|2,0,0]=4
14  B10R1.61  CC(=O)C1=CC=CC=C1C HY-W012658 [1,1,0,0,0,0|2,0,0]=4
15  B10R1.61  CC(=O)C1=CC=CC=C1N HY-I0501 [1,1,0,0,0,0|2,0,0]=4
16  B10R1.61  O=C(O)C1=NC=CC=C1S HY-128923 [1,1,0,0,0,0|2,0,0]=4
17  B10R1.31  CC(=O)C1=NC=C(CO)N1 HY-139094 [0,1,0,0,1,0|1,0,1]=4
18  B12R1.358  CNC(=O)C1=NC(Cl)=CC(Cl)=C1 HY-Z3477 [0,2,0,0,0,0|2,0,0]=4
19  B8R1.7  CC(=O)C1=CC=CN1 HY-W012956 [1,0,0,0,1,0|0,0,1]=3
20  B8R1.7  O=C(O)C1=CC=CN1 HY-W001963 [1,0,0,0,1,0|1,0,1]=4
21  B8R1.7  O=C(O)C1=CNN=C1 HY-W002065 [1,0,0,0,1,0|2,0,0]=4
22  B8R1.7  O=C(O)C1=NN=CN1 HY-107870 [1,0,0,0,1,0|2,0,0]=4