0  B9R1.35  CC(C)c1csc(n1)C CSC011911451 [0,0,0,0,0,0|2,0,0]=2
1  B9R1.35  CC(C)c1nc(cs1)C CSC000717878 [0,0,0,0,0,0|0,0,0]=0
2  B9R1.35  Cc1csc(c1)C(=O)N CSC000068353 [0,0,0,0,0,0|3,0,1]=4
3  B8R1.1  CSC1=NC(CS1)C CSC016132209 [1,0,0,0,0,0|1,0,2]=4
4  B10R1.14  COC(=O)c1cc(cs1)C CSC000040733 [0,1,0,0,0,0|2,0,1]=4
5  B10R1.14  COC(=O)c1nc(cs1)C CSC000087785 [0,1,0,0,0,0|1,0,1]=3
6  B10R1.31  CC(C)c1nc(no1)CN CSC000216087 [0,1,0,0,0,0|1,1,0]=3
7  B10R1.55  Cc1csc(n1)C(C)(C)C CSC012130072 [0,1,0,0,0,0|0,0,0]=1
8  B10R1.58  CC(C)c1nc(c(s1)C)C CSC011995834 [0,1,0,0,0,0|0,0,0]=1
9  B10R1.59  CC(C)N1N=C(CC1=O)C CSC011441405 [0,1,0,0,0,0|2,0,1]=4
10  B10R1.54  CC(=O)Nc1nc(ns1)C CSC012179674 [0,0,0,0,0,1|2,0,1]=4
11  B10R1.54  CC(C)Cc1nc(cs1)C CSC011217510 [0,0,0,0,0,1|0,0,0]=1
12  B9R1.22  CCc1nc(sc1C)C CSC011433449 [1,1,0,0,0,0|2,0,0]=4
13  B9R1.23  CCc1nc(c(s1)C)C CSC011933924 [1,1,0,0,0,0|0,0,0]=2
14  B11R1.3  COc1ccc(cc1)C(C)C CSC000174001 [0,1,0,0,0,1|2,0,0]=4
15  B11R1.3  CSc1ccc(cc1)C(C)C CSC000044649 [0,1,0,0,0,1|2,0,0]=4
16  B11R1.80  CC(C)Cc1nc(c(s1)C)C CSC000034117 [0,1,0,0,0,1|0,0,0]=2
17  B11R1.6  Cc1noc(n1)C(C)(C)C#N CSC016098101 [0,2,0,0,0,0|1,1,0]=4
18  B11R1.15  CCOC(=O)c1nc(cs1)C CSC000759411 [0,2,0,0,0,0|1,0,1]=4
19  B11R1.225  CC(CO)n1nc(cc1C)C CSC012001598 [0,2,0,0,0,0|2,0,0]=4
20  B11R1.45  CC(C)(C)c1noc(n1)CN CSC011242805 [0,2,0,0,0,0|2,0,0]=4
21  B11R1.124  CNCc1nc(cs1)C(C)C CSC011697531 [0,2,0,0,0,0|2,0,0]=4
22  B11R2.352  Cc1csc(n1)C2CCC2 CSC012884175 [0,1,0,1,0,0|0,0,0]=2
23  B11R2.352  Cc1nc(cs1)C2CCC2 CSC015406873 [0,1,0,1,0,0|2,0,0]=4
24  B11R2.353  Cc1nc(cs1)C2(CC2)C CSC014250034 [0,1,0,1,0,0|2,0,0]=4
25  B11R2.356  Cc1nc(c(s1)C)C2CC2 CSC014536779 [0,1,0,1,0,0|2,0,0]=4
26  B9R1.13  CC(C)Sc1nnc[nH]1 CSC015424631 [1,0,0,0,0,1|2,0,0]=4
27  B11R1.20  CC(C)Nc1ncc(cn1)Br CSC011934052 [0,0,0,0,0,2|2,0,0]=4
28  B11R1.20  CC(C)Nc1ncc(cn1)Cl CSC012056698 [0,0,0,0,0,2|2,0,0]=4
29  B11R1.20  CC(C)Nc1ncc(cn1)F CSC012056699 [0,0,0,0,0,2|2,0,0]=4
30  B11R1.20  CC(C)Sc1ccc(cc1)C CSC000006694 [0,0,0,0,0,2|2,0,0]=4
31  B11R1.20  CC(C)Sc1ccc(nn1)Cl CSC000750922 [0,0,0,0,0,2|2,0,0]=4
32  B11R1.75  CC(C)NCc1cc(cs1)Br CSC000200251 [0,0,0,0,0,2|2,0,0]=4
33  B11R1.75  CC(C)NCc1ccc(s1)C CSC000200234 [0,0,0,0,0,2|2,0,0]=4
34  B11R1.75  CC(C)NCc1csc(n1)C CSC000200260 [0,0,0,0,0,2|2,0,0]=4
35  B11R1.75  CC(C)NCc1nc(c[nH]1)C CSC020597766 [0,0,0,0,0,2|1,0,0]=3