0  B8R1.7  CC(=O)C1=CC=CN1 HY-W012956 [0,0,0,0,0,0|3,0,0]=3
1  B8R1.7  O=C(O)C1=CC=CN1 HY-W001963 [0,0,0,0,0,0|3,0,0]=3
2  B8R1.7  O=C(O)C1=CNN=C1 HY-W002065 [0,0,0,0,0,0|3,0,0]=3
3  B8R1.7  O=C(O)C1=NN=CN1 HY-107870 [0,0,0,0,0,0|4,0,0]=4
4  B7R1.1  O=CC1=CC=CN1 HY-77817 [1,0,0,0,0,0|2,0,0]=3
5  B7R1.1  O=CC1=COC=C1 HY-76224 [1,0,0,0,0,0|0,0,0]=1
6  B9R1.35  CC1=CC(C(=O)O)=NN1 HY-33009 [0,1,0,0,0,0|3,0,0]=4
7  B9R1.6  CC(=O)[13C]1=[13CH][13CH]=[13CH][13CH]=[13CH]1 HY-W782153 [0,0,0,0,0,1|2,0,0]=3
8  B9R1.6  N=C(N)C1=CN=CC=C1 HY-W002264 [0,0,0,0,0,1|3,0,0]=4
9  B9R1.6  NC(=O)C1=NC=CN=C1 HY-B0271R [0,0,0,0,0,1|2,0,0]=3
10  B9R1.6  NC(=S)C1=NC=CN=C1 HY-W129661 [0,0,0,0,0,1|2,1,0]=4
11  B9R1.6  [13CH3]C(=O)C1=CC=CC=C1 HY-Y0989S3 [0,0,0,0,0,1|2,0,0]=3
12  B6R0.4  O=C(O)\C=C\CO HY-100982 [1,0,1,0,0,0|1,0,1]=4
13  B8R0.23  [13CH2]=[13C]([13CH2][13C](=O)O)[13C](=O)O HY-Y0520S [0,1,1,0,0,0|1,0,1]=4
14  B10R1.13  O=C(O)C1=CC=C(Br)C=C1 HY-78700 [0,1,0,0,0,1|2,0,0]=4
15  B10R1.13  O=C(O)C1=CC=C(O)N=C1 HY-W001996R [0,1,0,0,0,1|2,0,0]=4
16  B10R1.13  O=C(O)[13C]1=[13CH][13CH]=[13C](O)[13CH]=[13CH]1 HY-Y0264S [0,1,0,0,0,1|2,0,0]=4
17  B10R1.13  O=[13C](O)C1=CC=C(O)C=C1 HY-Y0264S2 [0,1,0,0,0,1|2,0,0]=4
18  B10R1.15  CNC(=O)C1=NC=CC=C1 HY-Z4481 [0,1,0,0,0,1|2,0,0]=4
19  B10R1.15  COC(=O)C1=CC=CN=C1 HY-B1695 [0,1,0,0,0,1|2,0,0]=4
20  B10R1.15  COC(=O)C1=CC=NC=N1 HY-W043311 [0,1,0,0,0,1|2,0,0]=4
21  B10R1.15  O=C(CO)C1=CC=CC=C1 HY-W002198 [0,1,0,0,0,1|2,0,0]=4
22  B10R1.61  CC(=O)C1=CC=CC=C1C HY-W012658 [0,1,0,0,0,1|2,0,0]=4
23  B10R1.61  CC(=O)C1=CC=CC=C1N HY-I0501 [0,1,0,0,0,1|2,0,0]=4
24  B10R1.61  CC1=C([13C](=O)O)C=CC=C1 HY-41494S1 [0,1,0,0,0,1|2,0,0]=4
25  B10R1.61  O=C(O)C1=NC=CC=C1S HY-128923 [0,1,0,0,0,1|2,0,0]=4
26  B10R1.113  CN1C=CCC(C(N)=O)=C1 HY-124313 [0,1,0,0,0,1|2,0,0]=4
27  B10R1.113  C[N+]1=CC(C(=O)[O-])=CC=C1 HY-N0414 [0,1,0,0,0,1|2,0,0]=4
28  B10R1.113  C[N+]1=CC(C(=O)[O-])=CC=C1 HY-N0414R [0,1,0,0,0,1|2,0,0]=4
29  B10R1.113  O=C(O)C1=CC(Cl)=NC=N1 HY-W005983 [0,1,0,0,0,1|2,0,0]=4
30  B10R1.113  O=C(O)C1=CC=CC(Br)=C1 HY-Y0188 [0,1,0,0,0,1|2,0,0]=4
31  B10R1.23  NC(C(=O)O)C1=CSC=C1 HY-W002336 [0,1,0,0,0,1|1,1,0]=4
32  B8R1.2  ClCC1=CC=CC=N1 HY-W007502 [1,0,0,0,0,1|1,0,1]=4