0  B9R1.6  CC(=O)C1=CN=CC=N1 HY-W007692R [0,0,0,0,0,0|2,0,2]=4
1  B9R1.6  CC(N)C1=CC=CC=C1 HY-W395204 [0,0,0,0,0,0|1,0,0]=1
2  B9R1.6  CN(C)C1=CC=NC=C1 HY-Y1089R [0,0,0,0,0,0|3,0,0]=3
3  B9R1.6  NC(=O)C1=CC=CC=C1 HY-Z0283R [0,0,0,0,0,0|1,0,2]=3
4  B9R1.6  NC(=O)C1=NC=CC=C1 HY-101020R [0,0,0,0,0,0|2,0,2]=4
5  B9R1.6  [2H]N([2H])C1=CC=CC=C1 HY-W723695 [0,0,0,0,0,0|3,0,0]=3
6  B8R1.2  CCC1=NC=CN=C1 HY-W040948R [1,0,0,0,0,0|2,0,0]=3
7  B10R1.13  CC1=CC=C(C(C)C)CC1 HY-W020182R [0,1,0,0,0,0|1,0,2]=4
8  B10R1.13  N=C(N)C1=CC=C(N)C=C1 HY-W242735 [0,1,0,0,0,0|2,0,1]=4
9  B10R1.13  O=C(O)C1=CC=C(Cl)C=C1 HY-41465R [0,1,0,0,0,0|1,0,1]=3
10  B10R1.15  NCC(O)C1=CC=CC=C1 HY-59132R [0,1,0,0,0,0|0,0,0]=1
11  B10R1.28  NS(=O)(=O)C1=CC=CC=C1 HY-101087R [0,1,0,0,0,0|2,0,1]=4
12  B10R1.113  C[N+]1=CC(C(=O)O)=CC=C1 HY-N0415R [0,1,0,0,0,0|2,0,1]=4
13  B10R1.113  O=C(O)C1=CC(Br)=CN=C1 HY-Y1013R [0,1,0,0,0,0|2,0,1]=4
14  B10R1.113  O=C(O)C1=CC(O)=CC=C1 HY-W004049R [0,1,0,0,0,0|1,0,1]=3
15  B8R1.7  CC(=O)C1=CC=CN1 HY-W012956R [0,0,0,0,1,0|1,0,2]=4
16  B8R1.7  O=C(O)C1=CC=CN1 HY-W001963R [0,0,0,0,1,0|2,0,1]=4
17  B7R1.3  Br[13C]1=[13CH][13CH]=[13CH][13CH]=[13CH]1 HY-W780150 [2,0,0,0,0,0|1,0,0]=3
18  B7R1.3  O=C1C=CC=CN1 HY-Y0191R [2,0,0,0,0,0|1,0,1]=4
19  B7R1.3  OC1=CC=CN=C1 HY-Y1129R [2,0,0,0,0,0|1,0,0]=3
20  B11R1.36  O=C(O)[C@H](O)C1=CC=CC=C1 HY-Y0585R [0,1,0,0,0,1|1,0,1]=4
21  B11R1.157  CC(=O)CC1=CC(F)=CC=C1 HY-W611212 [0,1,0,0,0,1|0,0,2]=4
22  B11R1.157  CC(N)CC1=CC(I)=CC=C1 HY-165079 [0,1,0,0,0,1|1,0,0]=3
23  B11R1.3  CC(C)C1=CC=C(C=O)C=C1 HY-Y0790R [0,2,0,0,0,0|1,0,0]=3
24  B11R1.166  NC1=CC=C(C(=O)O)C(O)=C1 HY-I0447R [0,2,0,0,0,0|1,0,1]=4
25  B11R1.166  O=C(O)C1=C(O)C=C(Cl)C=C1 HY-W016867R [0,2,0,0,0,0|1,0,1]=4
26  B11R1.12  CCC(NC)C1=CC=CC=C1 HY-W659059 [0,2,0,0,0,0|1,0,0]=3
27  B11R1.53  COC1=CC=CC=C1C(=O)O HY-N1393R [0,2,0,0,0,0|1,0,1]=4
28  B11R1.53  O=CC1=CC=CC=C1C(=O)O HY-Y1771R [0,2,0,0,0,0|1,0,1]=4
29  B11R1.159  CC1=C(O)C(C(=O)O)=CC=C1 HY-B1399R [0,2,0,0,0,0|1,0,1]=4
30  B11R1.266  COC1=CC(C(=O)O)=CC=C1 HY-Y0760R [0,2,0,0,0,0|1,0,1]=4
31  B11R2.10  O=C1CC2=C(C=CC=C2)N1 HY-Y0061R [0,0,0,1,0,1|0,0,2]=4