0  B8R1.11  O=CC1=C(Br)C=CS1 HY-W007753 [0,0,0,0,0,0|3,0,0]=3
1  B7R1.1  O=CC1=CC=CS1 HY-W012941 [1,0,0,0,0,0|2,0,0]=3
2  B7R1.1  O=CC1=CN=CS1 HY-69015 [1,0,0,0,0,0|1,0,0]=2
3  B7R1.1  O=CC1=CNC=C1 HY-59307 [1,0,0,0,0,0|2,0,1]=4
4  B7R1.1  O=CC1=CNC=N1 HY-59303 [1,0,0,0,0,0|2,0,1]=4
5  B7R1.1  OCC1=CC=CS1 HY-34751 [1,0,0,0,0,0|2,0,1]=4
6  B7R1.1  OCC1=CN=CS1 HY-W012905 [1,0,0,0,0,0|1,0,1]=3
7  B7R1.4  CC1=CNN=C1C HY-W019334 [1,0,0,0,0,0|2,0,1]=4
8  B9R1.33  CC1=C(CCCl)SC=N1 HY-129105 [0,1,0,0,0,0|0,0,2]=3
9  B9R1.33  CC1=C(CCCl)SC=N1 HY-A0296 [0,1,0,0,0,0|0,0,2]=3
10  B9R1.33  CC1=C(CCO)SC=N1 HY-W015695 [0,1,0,0,0,0|0,0,2]=3
11  B9R1.33  CC1=C(CCO)SC=N1 HY-W015695R [0,1,0,0,0,0|0,0,2]=3
12  B9R1.41  CN1N=CC=C1C(=O)O HY-34505 [0,1,0,0,0,0|3,0,0]=4
13  B9R2.3  C1=CC2=C(C=CS2)S1 HY-34607 [0,0,0,1,0,0|2,0,0]=3
14  B9R1.2  CC1=CC(C=O)=CC=C1 HY-78086 [0,0,0,0,0,1|3,0,0]=4
15  B9R1.2  O=CC1=CC(Cl)=NC=C1 HY-W010309 [0,0,0,0,0,1|3,0,0]=4
16  B9R1.15  CC1=CC=CC=C1C=O HY-Y0442 [0,0,0,0,0,1|3,0,0]=4
17  B9R1.15  NC1=C(C=O)C=CC=N1 HY-75813 [0,0,0,0,0,1|3,0,0]=4
18  B9R1.15  O=CC1=CC=CN=C1Cl HY-32791 [0,0,0,0,0,1|3,0,0]=4
19  B6R1.2  BrC1=CNC=N1 HY-W002226 [2,0,0,0,0,0|2,0,0]=4
20  B6R1.2  BrC1=CSC=C1 HY-59299 [2,0,0,0,0,0|2,0,0]=4
21  B6R1.2  CC1=CC=CS1 HY-W010615 [2,0,0,0,0,0|1,0,1]=4
22  B6R1.2  CC1=NNC=C1 HY-66054 [2,0,0,0,0,0|2,0,0]=4
23  B6R1.2  IC1=CN=CN1 HY-W002802 [2,0,0,0,0,0|2,0,0]=4
24  B8R1.1  CC1=CC=C(C=O)S1 HY-34465 [1,1,0,0,0,0|2,0,0]=4
25  B8R1.1  O=CC1=CC=C(Br)S1 HY-59174 [1,1,0,0,0,0|2,0,0]=4
26  B8R1.1  O=CC1=CC=C(Cl)S1 HY-W002227 [1,1,0,0,0,0|2,0,0]=4
27  B8R1.7  CC(=O)C1=CC=CS1 HY-20585 [1,1,0,0,0,0|1,0,1]=4
28  B8R1.7  O=C(O)C1=CN=CN1 HY-W007695 [1,1,0,0,0,0|2,0,0]=4
29  B8R1.18  CC1=NC(C)=C(C)S1 HY-W100945 [1,1,0,0,0,0|0,0,1]=3
30  B10R1.59  CC1=NC(C)=C(C(=O)O)S1 HY-W002255 [0,2,0,0,0,0|1,0,0]=3
31  B10R1.130  CC1=C(CCN)SC(N)=N1 HY-101063 [0,2,0,0,0,0|0,0,2]=4
32  B8R1.5  CC1=NC=CC=C1Br HY-W002494 [0,0,1,1,0,0|2,0,0]=4
33  B8R1.5  CC1=NC=CC=C1O HY-W002339 [0,0,1,1,0,0|2,0,0]=4
34  B8R1.4  BrC1=CC=CC(Br)=N1 HY-59162 [0,0,1,1,0,0|2,0,0]=4
35  B8R1.4  CC1=CC(Br)=CC=N1 HY-W007447 [0,0,1,1,0,0|2,0,0]=4
36  B8R1.4  CC1=CN=CC(C)=N1 HY-W040790 [0,0,1,1,0,0|2,0,0]=4
37  B8R1.4  CC1=NC(Cl)=CC=C1 HY-W001993 [0,0,1,1,0,0|1,0,0]=3
38  B8R1.4  NC1=CC=CC(N)=N1 HY-Y0198 [0,0,1,1,0,0|2,0,0]=4
39  B8R1.4  NC1=NC(Br)=CC=C1 HY-Y1049 [0,0,1,1,0,0|2,0,0]=4
40  B10R2.7  C1=CN=C2NC=CC2=C1 HY-50542 [0,0,0,1,0,1|2,0,0]=4