0  B10R1.61  CC(=O)C1=CC=CC=C1C HY-W012658 [0,0,0,0,0,0|2,0,0]=2
1  B10R1.61  CC(=O)C1=CC=CC=C1N HY-I0501 [0,0,0,0,0,0|3,0,0]=3
2  B10R1.61  CC1=C([13C](=O)O)C=CC=C1 HY-41494S1 [0,0,0,0,0,0|3,0,0]=3
3  B10R1.61  O=C(O)C1=NC=CC=C1S HY-128923 [0,0,0,0,0,0|3,0,0]=3
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  N=C(N)C1=CN=CC=C1 HY-W002264 [1,0,0,0,0,0|3,0,0]=4
6  B9R1.6  NC(=O)C1=NC=CN=C1 HY-B0271R [1,0,0,0,0,0|1,0,0]=2
7  B9R1.6  NC(=S)C1=NC=CN=C1 HY-W129661 [1,0,0,0,0,0|1,1,0]=3
8  B9R1.6  [13CH3]C(=O)C1=CC=CC=C1 HY-Y0989S3 [1,0,0,0,0,0|2,0,0]=3
9  B9R1.15  CC1=C([13CH]=O)C=CC=C1 HY-Y0442S [1,0,0,0,0,0|2,0,0]=3
10  B11R1.53  CCC1=CC=CC=C1C(N)=O HY-W412047 [0,1,0,0,0,0|3,0,0]=4
11  B11R1.53  CNC1=C(C(=O)O)C=CC=C1 HY-W040705 [0,1,0,0,0,0|3,0,0]=4
12  B11R1.156  CC1=C(C(=O)O)C(O)=CC=C1 HY-W002751 [0,1,0,0,0,0|3,0,0]=4
13  B11R1.159  CC(=O)C1=CC=CC(O)=C1N HY-109690 [0,1,0,0,0,0|3,0,0]=4
14  B11R2.1  O=C1COC2=C1C=CC=C2 HY-W001165 [0,0,0,1,0,0|3,0,0]=4
15  B11R1.86  CC(=O)NC1=C(O)C=CC=C1 HY-W015600R [0,0,0,0,0,1|3,0,0]=4
16  B10R1.13  O=C(O)C1=CC=C(O)N=C1 HY-W001996R [1,1,0,0,0,0|2,0,0]=4
17  B10R1.15  CNC(=O)C1=NC=CC=C1 HY-Z4481 [1,1,0,0,0,0|1,0,0]=3
18  B10R1.15  COC(=O)C1=CC=CN=C1 HY-B1695 [1,1,0,0,0,0|1,0,0]=3
19  B10R1.15  COC(=O)C1=CC=NC=N1 HY-W043311 [1,1,0,0,0,0|2,0,0]=4
20  B10R1.15  O=C(CO)C1=CC=CC=C1 HY-W002198 [1,1,0,0,0,0|2,0,0]=4
21  B10R1.245  COC1=C(C)N=CC=C1Cl HY-W059074 [1,1,0,0,0,0|2,0,0]=4
22  B12R1.75  CSC1=CC=CC=C1NC(C)=O HY-18594 [0,1,0,0,0,1|2,0,0]=4
23  B12R1.77  COC(=O)C1=CC=CC=C1OC HY-Z0453 [0,2,0,0,0,0|2,0,0]=4
24  B12R1.261  O=C(O)C1=C(C(=O)O)N=CC=N1 HY-W017105 [0,2,0,0,0,0|1,0,1]=4
25  B12R1.232  [2H]C1=NC([2H])=C([2H])N=C1C(N)=O HY-B0271S [0,2,0,0,0,0|2,0,0]=4
26  B8R1.7  CC(=O)C1=CC=CN1 HY-W012956 [1,0,0,0,1,0|0,0,1]=3
27  B8R1.7  O=C(O)C1=CC=CN1 HY-W001963 [1,0,0,0,1,0|1,0,1]=4
28  B8R1.7  O=C(O)C1=CNN=C1 HY-W002065 [1,0,0,0,1,0|2,0,0]=4