0  B10R1.61  CC(=O)C1=CC=CC=C1C HY-W012658 [0,0,0,0,0,0|2,0,1]=3
1  B10R1.61  CC(=O)C1=CC=CC=C1N HY-I0501 [0,0,0,0,0,0|2,0,1]=3
2  B10R1.61  CC1=C([13C](=O)O)C=CC=C1 HY-41494S1 [0,0,0,0,0,0|3,0,1]=4
3  B9R1.6  CC(=O)[13C]1=[13CH][13CH]=[13CH][13CH]=[13CH]1 HY-W782153 [1,0,0,0,0,0|1,0,1]=3
4  B9R1.6  CC(O)C1=CN=CN=C1 HY-W062571 [1,0,0,0,0,0|3,0,0]=4
5  B9R1.6  [13CH3]C(=O)C1=CC=CC=C1 HY-Y0989S3 [1,0,0,0,0,0|1,0,1]=3
6  B9R1.15  CC1=C([13CH]=O)C=CC=C1 HY-Y0442S [1,0,0,0,0,0|2,0,1]=4
7  B11R1.156  CC1=C(C(=O)O)C(O)=CC=C1 HY-W002751 [0,1,0,0,0,0|2,0,1]=4
8  B11R1.159  CC(=O)C1=CC=CC(O)=C1N HY-109690 [0,1,0,0,0,0|2,0,1]=4
9  B11R1.159  CC(N)C1=C(Cl)C(Cl)=CC=C1 HY-107398 [0,1,0,0,0,0|2,0,0]=3
10  B11R1.159  O=C(O)C1=CC=CC(O)=C1O HY-Y0202R [0,1,0,0,0,0|2,0,1]=4
11  B11R2.1  O=C1COC2=C1C=CC=C2 HY-W001165 [0,0,0,1,0,0|1,0,1]=3
12  B11R1.86  CC(=O)NC1=C(O)C=CC=C1 HY-W015600R [0,0,0,0,0,1|1,0,1]=3
13  B11R1.86  CC(C)SC1=CC=CC=C1N HY-I0912 [0,0,0,0,0,1|1,0,0]=2
14  B8R1.2  ClCC1=CC=CC=N1 HY-W007502 [2,0,0,0,0,0|2,0,0]=4
15  B8R1.5  NC1=C(O)C=NC=C1 HY-W008188 [2,0,0,0,0,0|2,0,0]=4
16  B8R1.5  OC1=NC=CC=C1Br HY-W003045 [2,0,0,0,0,0|2,0,0]=4
17  B10R1.13  CC1=CC[C@H](C(C)C)C=C1 HY-N9487 [1,1,0,0,0,0|0,0,2]=4
18  B10R1.15  C[C@H](CN)C1=CC=CC=C1 HY-W655727 [1,1,0,0,0,0|0,0,0]=2
19  B10R1.15  N[C@H](CO)C1=CC=CC=C1 HY-41414 [1,1,0,0,0,0|1,0,0]=3
20  B10R1.15  O=C(CO)C1=CC=CC=C1 HY-W002198 [1,1,0,0,0,0|1,0,1]=4
21  B10R1.28  C[N+](C)(C)C1=CC=CC=C1 HY-W012450 [1,1,0,0,0,0|1,0,0]=3
22  B10R1.28  [2H]C([2H])(O)C1=CC=CC=C1 HY-W450789S [1,1,0,0,0,0|2,0,0]=4
23  B10R1.113  CC(N)C1=CC(O)=CC=C1 HY-70031 [1,1,0,0,0,0|1,0,0]=3
24  B10R1.2  COC1=CC=CC(O)=C1O HY-W116576 [1,1,0,0,0,0|1,0,0]=3
25  B10R1.30  COC1=C(Cl)C=CC(Br)=C1 HY-W012416 [1,1,0,0,0,0|2,0,0]=4
26  B10R1.30  COC1=C(O)C=CC(O)=C1 HY-W013675 [1,1,0,0,0,0|1,0,0]=3
27  B10R1.30  OCC1=CC(O)=CC=C1O HY-W248907 [1,1,0,0,0,0|1,0,0]=3
28  B12R1.233  CC1=CC(N)=C(OC(C)C)C=C1 HY-I0882 [0,1,0,0,0,1|1,0,0]=3
29  B12R1.77  COC(=O)C1=CC=CC=C1OC HY-Z0453 [0,2,0,0,0,0|1,0,1]=4
30  B10R2.7  C1=CC2=C(C=C1)NCC2 HY-Y0788 [1,0,0,1,0,0|1,0,0]=3
31  B12R2.18  CC1C2=CC=CC=C2N=C1O HY-W017490 [0,1,0,1,0,0|1,0,1]=4
32  B12R2.18  N[C@H]1C2=C(C=CC=C2)C[C@H]1O HY-W002530 [0,1,0,1,0,0|2,0,0]=4
33  B12R1.125  CC(N)CCC1=CC=CC=C1Cl HY-117059 [0,0,0,0,0,2|2,0,0]=4