0  B10R1.10  CCNC1=CC=CC(C)=C1 c01117 [0,0,0,0,0,0|3,0,0]=3
1  B10R1.10  O\N=C\C1=CC(O)=CC=C1 c06021 [0,0,0,0,0,0|2,0,1]=3
2  B9R1.8  BrCC[N+]1=CC=CC=C1 a01518 [1,0,0,0,0,0|2,0,0]=3
3  B11R1.23  CC1=CC(C(=O)NN)=CC=C1 e00709 [0,1,0,0,0,0|2,0,1]=4
4  B11R1.23  COC(=O)C1=CC(O)=CC=C1 c00871 [0,1,0,0,0,0|2,0,1]=4
5  B11R1.23  NNC(=O)C1=CC(I)=CC=C1 M01603 [0,1,0,0,0,0|2,0,1]=4
6  B11R1.24  C=CCOC1=CC(N)=CC=C1 c07340 [0,1,0,0,0,0|2,0,1]=4
7  B11R1.157  CC(=O)NC1=CC=CC(O)=C1 c07391 [0,1,0,0,0,0|2,0,1]=4
8  B8R1.4  CC1=CC(N)=NC=C1 c08163 [2,0,0,0,0,0|2,0,0]=4
9  B8R1.4  OC1=CC=CC(O)=N1 c08627 [2,0,0,0,0,0|2,0,0]=4
10  B10R1.30  CCC1=NC(C)=CC=C1O e00654 [1,1,0,0,0,0|2,0,0]=4
11  B10R1.113  CC(N)C1=CC(O)=CC=C1 c07637 [1,1,0,0,0,0|0,0,0]=2
12  B10R1.113  NC(=O)C1=CC(N)=CC=C1 c06082 [1,1,0,0,0,0|1,0,1]=4
13  B10R1.176  COC1=CC=C(N)C(C)=C1 c07873 [1,1,0,0,0,0|2,0,0]=4
14  B10R1.15  CCC(N)C1=CC=CC=C1 c07353 [1,1,0,0,0,0|1,0,0]=3
15  B10R1.15  NNC(=O)C1=CC=CC=C1 e00706 [1,1,0,0,0,0|1,0,1]=4
16  B10R1.18  O=C(O)CC1=CC=CC=C1 e01172 [1,1,0,0,0,0|1,0,1]=4
17  B12R1.25  CC1=CC=CC(OCCN)=C1C c03590 [0,2,0,0,0,0|1,0,0]=3
18  B12R1.17  CCOC(=O)C1=CC(O)=CC=C1 c03587 [0,2,0,0,0,0|1,0,1]=4
19  B12R1.28  CCCCOC1=CC(N)=CC=C1 c04115 [0,2,0,0,0,0|2,0,0]=4
20  B12R1.28  CNCCOC1=CC(C)=CC=C1 c04138 [0,2,0,0,0,0|1,0,0]=3
21  B12R1.28  CNCCOC1=CC(F)=CC=C1 c04421 [0,2,0,0,0,0|1,0,0]=3
22  B12R1.50  CCC(=O)NC1=CC=CC(O)=C1 c02408 [0,2,0,0,0,0|1,0,1]=4
23  B12R1.226  CC(C)COC1=CC(N)=CC=C1 c02559 [0,2,0,0,0,0|2,0,0]=4
24  B12R1.226  CC(C)COC1=CC(N)=CC=C1 c04105 [0,2,0,0,0,0|2,0,0]=4
25  B12R1.226  CC1=CC=CC(OCC(N)=O)=C1 a01170 [0,2,0,0,0,0|1,0,1]=4
26  B12R1.385  NCCOC1=CC(Cl)=C(F)C=C1 c05472 [0,2,0,0,0,0|1,0,0]=3
27  B12R1.279  CCOC1=CC=CC(C(=O)O)=C1 c00916 [0,2,0,0,0,0|2,0,0]=4