0  B8R1.8  CNCc1cncs1 WX609042 [1,0,0,0,0,0|2,0,0]=3
1  B8R1.8  c1cc(oc1)CCO WX640320 [1,0,0,0,0,0|1,1,0]=3
2  B8R1.8  c1cc(sc1)CCN WX600201 [1,0,0,0,0,0|2,0,0]=3
3  B8R1.11  Cc1c([nH]cn1)C=O WX624181 [1,0,0,0,0,0|1,0,2]=4
4  B8R1.11  Cc1c(cno1)CO WX640099 [1,0,0,0,0,0|3,0,0]=4
5  B8R1.11  Cc1c(con1)CN WX603010 [1,0,0,0,0,0|3,0,0]=4
6  B8R1.11  Cc1c(nc[nH]1)CO WX640293 [1,0,0,0,0,0|1,0,1]=3
7  B8R1.11  Cc1c(nns1)CO WX641002 [1,0,0,0,0,0|3,0,0]=4
8  B8R1.11  Cc1c(scn1)C=O WX624190 [1,0,0,0,0,0|0,0,2]=3
9  B8R1.11  Cc1c(scn1)CN WX609043 [1,0,0,0,0,0|1,0,0]=2
10  B8R1.11  Cc1c(scn1)CO WXC00854 [1,0,0,0,0,0|0,0,0]=1
11  B8R1.11  Cc1c(snn1)CO WX641001 [1,0,0,0,0,0|1,0,0]=2
12  B8R1.11  Cc1ccsc1CN WX609035 [1,0,0,0,0,0|2,0,0]=3
13  B8R1.11  Cc1ccsc1CO WX640140 [1,0,0,0,0,0|1,0,0]=2
14  B8R1.11  Cn1c(ccn1)CN WX603006 [1,0,0,0,0,0|3,0,0]=4
15  B8R1.11  Cn1c(ccn1)CO WX640357 [1,0,0,0,0,0|2,0,0]=3
16  B10R2.7  c1[nH]c2c(n1)CNCC2 WX606075 [0,0,0,1,0,0|2,0,0]=3
17  B10R2.7  c1[nH]c2c(n1)CNCC2 WX606111 [0,0,0,1,0,0|2,0,0]=3
18  B7R1.1  CCc1c[nH]nc1 WX690051 [2,0,0,0,0,0|2,0,0]=4
19  B7R1.1  CNc1nncs1 WX607061 [2,0,0,0,0,0|2,0,0]=4
20  B7R1.1  c1c([nH]cn1)CO WX640062 [2,0,0,0,0,0|1,0,0]=3
21  B7R1.1  c1c(cn[nH]1)CO WX640336 [2,0,0,0,0,0|2,0,0]=4
22  B7R1.1  c1c(nc[nH]1)CO WX640292 [2,0,0,0,0,0|1,0,1]=4
23  B7R1.1  c1c(nco1)CO WX640327 [2,0,0,0,0,0|2,0,0]=4
24  B7R1.1  c1c(ocn1)CO WX640330 [2,0,0,0,0,0|0,1,0]=3
25  B7R1.1  c1c(scn1)C=O WX624055 [2,0,0,0,0,0|0,0,2]=4
26  B7R1.1  c1c(scn1)CCl WXC04167 [2,0,0,0,0,0|1,0,0]=3
27  B7R1.1  c1c(scn1)CN WX609040 [2,0,0,0,0,0|1,0,0]=3
28  B7R1.1  c1cc(sc1)CO WX640288 [2,0,0,0,0,0|1,0,0]=3
29  B7R1.1  c1csc(n1)CO WX640084 [2,0,0,0,0,0|2,0,0]=4
30  B7R1.4  Cc1c(nc[nH]1)Br WX637071 [2,0,0,0,0,0|2,0,0]=4
31  B9R1.7  CNCc1cnc(s1)Cl WX600141 [1,1,0,0,0,0|2,0,0]=4
32  B9R1.14  CCn1ccnc1CO WXC03175 [1,1,0,0,0,0|2,0,0]=4
33  B9R1.22  C(c1c(nc(s1)Br)Br)O WX690251 [1,1,0,0,0,0|1,0,0]=3
34  B9R1.22  Cc1c(sc(n1)C)C=O WX624192 [1,1,0,0,0,0|0,0,2]=4
35  B9R1.22  Cc1c(sc(n1)C)CN WX603014 [1,1,0,0,0,0|1,0,0]=3
36  B9R1.22  Cc1c(sc(n1)C)CO WX640322 [1,1,0,0,0,0|0,0,0]=2
37  B9R1.41  B(c1c(ccs1)C)(O)O WX654054 [1,1,0,0,0,0|2,0,0]=4
38  B9R1.41  Cc1c([nH]cn1)C(=O)O WX614250 [1,1,0,0,0,0|1,0,1]=4
39  B9R1.41  Cc1c(c[nH]n1)C(C)O WX642153 [1,1,0,0,0,0|2,0,0]=4
40  B9R1.41  Cc1c(ocn1)C(=O)O WX614136 [1,1,0,0,0,0|0,1,1]=4
41  B9R1.41  Cc1c(snn1)C(=O)O WX613776 [1,1,0,0,0,0|1,0,1]=4
42  B11R1.189  COc1cc(ccn1)CCN WX607121 [0,1,0,0,0,1|2,0,0]=4
43  B11R1.645  Cc1c(sc(n1)C)CC(=O)O WX610054 [0,2,0,0,0,0|0,0,1]=3
44  B11R2.18  c1[nH]c2c(n1)CCNCC2 WX604674 [0,1,0,1,0,0|2,0,0]=4
45  B11R2.191  c1cn2c(n1)CCC2CO WX640149 [0,1,0,1,0,0|2,0,0]=4