0  B8R1.1  BrCC1=CN=C(Br)S1 230460 [0,0,0,0,0,0|3,1,0]=4
1  B8R1.1  CC1=CSC(CN)=N1 031058 [0,0,0,0,0,0|3,0,0]=3
2  B8R1.1  CN1C=CC(CN)=N1 030481 [0,0,0,0,0,0|3,0,0]=3
3  B7R1.1  NCC1=CSC=N1 358537 [1,0,0,0,0,0|3,0,0]=4
4  B7R1.1  OCN1C=NC=N1 180008 [1,0,0,0,0,0|3,0,0]=4
5  B7R1.2  CC1=CC=C([Mg+])S1 399696 [1,0,0,0,0,0|1,1,0]=3
6  B7R1.2  CC1=CN(C)C=N1 075144 [1,0,0,0,0,0|3,0,0]=4
7  B9R1.2  CCC1=CC(C)=CN=C1 180046 [0,0,0,0,0,1|2,0,0]=3
8  B9R1.2  C[N+]1=CC(CO)=CC=C1 181608 [0,0,0,0,0,1|2,0,0]=3
9  B8R1.7  CC([NH3+])C1=CC=CS1 031057 [1,1,0,0,0,0|1,1,0]=4
10  B10R1.1  CC1=CN=C(CCO)C=C1 032578 [0,1,0,0,0,1|1,0,0]=3
11  B10R1.2  CCC1=CC=CC(C)=C1I 038641 [0,1,0,0,0,1|2,0,0]=4
12  B10R1.8  CC1=CC(CN)=CC(Cl)=C1 062796 [0,1,0,0,0,1|2,0,0]=4
13  B10R1.8  CCC1=CC(Br)=CC(C)=C1 038642 [0,1,0,0,0,1|2,0,0]=4
14  B10R1.10  CC1=CC=CC(CCBr)=C1 020899 [0,1,0,0,0,1|2,0,0]=4
15  B10R1.10  CCSC1=CC(C)=CC=C1 094840 [0,1,0,0,0,1|2,0,0]=4
16  B10R1.30  CC1=C(CO)C=C(Br)C=C1 403122 [0,1,0,0,0,1|2,0,0]=4
17  B10R1.30  OCC1=CC(Br)=CC=C1Br 229556 [0,1,0,0,0,1|2,0,0]=4
18  B10R1.30  OCC1=CC(F)=NC=C1F 103449 [0,1,0,0,0,1|2,0,0]=4
19  B10R1.59  CC1=CC(C)=C(C(=O)O)S1 059281 [0,2,0,0,0,0|0,1,1]=4