0  B7R1.1  c1csc(n1)C#N EB11598 [0,0,0,0,0,0|2,1,1]=4
1  B8R1.1  CCn1cc(cn1)N EB27086 [0,1,0,0,0,0|3,0,0]=4
2  B8R1.1  CCn1ccc(n1)N EB26086 [0,1,0,0,0,0|3,0,0]=4
3  B8R1.1  c1cc(oc1C=O)Br KEMAR006 [0,1,0,0,0,0|0,0,2]=3
4  B8R1.7  CC(c1ccco1)N EB60178 [0,1,0,0,0,0|1,0,0]=2
5  B8R1.7  CC(c1cccs1)N EB60327 [0,1,0,0,0,0|1,1,0]=3
6  B8R1.7  c1cc(sc1)C(=N)N EB12026 [0,1,0,0,0,0|1,1,1]=4
7  B9R1.6  CC(c1ccccn1)N EB60111 [0,1,0,0,0,1|2,0,0]=4
8  B9R1.6  CC(c1ccccn1)O EB60161 [0,1,0,0,0,1|1,0,0]=3
9  B9R1.6  CC(c1cccnc1)N EB60112 [0,1,0,0,0,1|2,0,0]=4
10  B9R1.6  CC(c1cccnc1)O EB60160 [0,1,0,0,0,1|1,0,0]=3
11  B9R1.6  CC(c1ccncc1)N EB60113 [0,1,0,0,0,1|2,0,0]=4
12  B9R1.6  CC(c1ccncc1)O EB60159 [0,1,0,0,0,1|1,0,0]=3
13  B9R1.21  C#Cc1ccc(o1)C=O EB61491 [0,2,0,0,0,0|0,0,2]=4
14  B9R1.11  CC(c1ccco1)NO EB60357 [0,2,0,0,0,0|0,0,0]=2
15  B9R1.11  CC(c1cccs1)NO EB60358 [0,2,0,0,0,0|0,1,0]=3
16  B9R1.11  c1cc(sc1)C(=O)C[NH3+] EB61215 [0,2,0,0,0,0|1,1,0]=4