0  B7R1.1  c1csc(n1)C#N EB11598 [0,0,0,0,0,0|2,1,1]=4
1  B8R1.1  CCc1nc(sn1)Cl EB12817 [0,1,0,0,0,0|3,0,0]=4
2  B8R1.1  CCn1cc(cn1)N EB27086 [0,1,0,0,0,0|2,0,0]=3
3  B8R1.1  CCn1ccc(n1)N EB26086 [0,1,0,0,0,0|2,0,0]=3
4  B8R1.1  c1cc(oc1C=O)Br KEMAR006 [0,1,0,0,0,0|1,0,1]=3
5  B8R1.7  CC(=O)c1cc[nH]c1 EB60661 [0,1,0,0,0,0|2,0,1]=4
6  B8R1.7  CC(c1ccco1)N EB60178 [0,1,0,0,0,0|0,0,0]=1
7  B8R1.7  CC(c1cccs1)N EB60327 [0,1,0,0,0,0|0,1,0]=2
8  B8R1.7  c1cc(sc1)C(=N)N EB12026 [0,1,0,0,0,0|1,1,1]=4
9  B6R0.1  CCC(=N)OCC EB12147 [0,0,1,0,0,0|1,0,2]=4
10  B9R1.6  CC(c1ccccn1)N EB60111 [0,1,0,0,0,1|1,0,0]=3
11  B9R1.6  CC(c1ccccn1)O EB60161 [0,1,0,0,0,1|1,0,0]=3
12  B9R1.6  CC(c1cccnc1)N EB60112 [0,1,0,0,0,1|1,0,0]=3
13  B9R1.6  CC(c1cccnc1)O EB60160 [0,1,0,0,0,1|1,0,0]=3
14  B9R1.6  CC(c1ccncc1)N EB60113 [0,1,0,0,0,1|1,0,0]=3
15  B9R1.6  CC(c1ccncc1)O EB60159 [0,1,0,0,0,1|1,0,0]=3
16  B9R1.15  CNc1c(nccn1)N EB61000 [0,1,0,0,0,1|2,0,0]=4
17  B9R1.7  CCCn1cc(cn1)N EB27051 [0,2,0,0,0,0|2,0,0]=4
18  B9R1.7  CCCn1ccc(n1)N EB26051 [0,2,0,0,0,0|2,0,0]=4
19  B9R1.21  C#Cc1ccc(o1)C=O EB61491 [0,2,0,0,0,0|0,0,2]=4
20  B9R1.35  CC(C)n1cc(cn1)N EB27055 [0,2,0,0,0,0|2,0,0]=4
21  B9R1.35  CC(C)n1ccc(n1)N EB26055 [0,2,0,0,0,0|2,0,0]=4
22  B9R1.11  CC(c1ccco1)NO EB60357 [0,2,0,0,0,0|0,0,0]=2
23  B9R1.11  CC(c1cccs1)NO EB60358 [0,2,0,0,0,0|0,1,0]=3
24  B9R1.11  CNC(=O)c1cccs1 EB60998 [0,2,0,0,0,0|0,1,1]=4
25  B9R1.11  c1cc(sc1)C(=O)C[NH3+] EB61215 [0,2,0,0,0,0|0,1,1]=4
26  B9R1.12  c1csc(n1)NCCN EB11540 [0,2,0,0,0,0|1,1,0]=4