0  B9R1.15  CC1=CC=CN=C1CN HB007-1 [1,0,0,0,0,0|2,0,0]=3
1  B9R1.15  CC1=NC=CC=C1CCl HB006-1 [1,0,0,0,0,0|3,0,0]=4
2  B9R1.15  COC1=C(I)C=NC=C1 HB089-1 [1,0,0,0,0,0|2,0,0]=3
3  B11R1.17  NC1=C(OCCO)C=CN=C1 HB097-1 [0,1,0,0,0,0|3,0,0]=4
4  B11R1.17  NC1=CC=CN=C1OCCO HB026-1 [0,1,0,0,0,0|3,0,0]=4
5  B11R1.17  NC1=NC=CC=C1CCCO HB034-1 [0,1,0,0,0,0|3,0,0]=4
6  B11R1.17  OCCCC1=C(O)C=CN=C1 HB104-1 [0,1,0,0,0,0|3,0,0]=4
7  B11R1.17  OCCOC1=NC=CC=C1O HB001-1 [0,1,0,0,0,0|3,0,0]=4
8  B11R1.605  C=CCC1=C(I)C=CN=C1Cl HB250-1 [0,1,0,0,0,0|2,0,1]=4
9  B11R2.20  C1=CN=C2CCCOC2=C1 HC494-1 [0,0,0,1,0,0|3,0,0]=4
10  B11R2.20  C1=NC=C2CCCOC2=C1 HC495-1 [0,0,0,1,0,0|3,0,0]=4
11  B11R2.106  IC1=C2C=CNC2=NC=C1 HC090-1 [0,0,0,1,0,0|1,0,2]=4
12  B8R1.5  NC1=CC=CN=C1Br HB025-1 [2,0,0,0,0,0|1,1,0]=4
13  B8R1.5  OC1=C(I)C=NC=C1 HB088-1 [2,0,0,0,0,0|2,0,0]=4
14  B8R1.5  OC1=CC=CN=C1I HB016-1 [2,0,0,0,0,0|2,0,0]=4
15  B10R1.2  COC1=C(I)C(N)=NC=C1 HB233-1 [1,1,0,0,0,0|2,0,0]=4
16  B10R1.2  COC1=CN=CC(N)=C1I HB655-1 [1,1,0,0,0,0|2,0,0]=4
17  B10R1.25  COC1=CC=C(I)N=C1I HB559-1 [1,1,0,0,0,0|2,0,0]=4
18  B10R1.25  COC1=NC=C(C)C=C1I HB469-1 [1,1,0,0,0,0|2,0,0]=4
19  B10R1.25  COC1=NC=C(Cl)C=C1I HB324-1 [1,1,0,0,0,0|2,0,0]=4
20  B10R1.30  COC1=C(I)N=CC(O)=C1 HB342-1 [1,1,0,0,0,0|2,0,0]=4
21  B10R1.30  COC1=CC(Br)=CN=C1I HB380-1 [1,1,0,0,0,0|2,0,0]=4
22  B10R1.30  COC1=CC(I)=CN=C1I HB429-1 [1,1,0,0,0,0|2,0,0]=4
23  B10R1.245  COC1=C(I)C=CN=C1Br HB229-1 [1,1,0,0,0,0|2,0,0]=4
24  B10R1.245  OCC1=C(I)C=CN=C1Cl HB246-1 [1,1,0,0,0,0|2,0,0]=4
25  B12R1.77  COC1=C([C@@H](O)CBr)C=CC=C1 RC633-1 [0,2,0,0,0,0|2,0,0]=4
26  B12R2.1081  IC1=C2OCCCC2=CN=C1 HC496-1 [0,1,0,1,0,0|2,0,0]=4
27  B12R2.1081  IC1=C2OCCOC2=NC=C1 HC527-1 [0,1,0,1,0,0|2,0,0]=4
28  B12R2.1081  IC1=NC=CC2=C1OCCO2 HC571-1 [0,1,0,1,0,0|2,0,0]=4
29  B12R2.1081  N[C@@H]1CCOC2=C1C=CC=C2 RC812-1 [0,1,0,1,0,0|2,0,0]=4
30  B12R2.1081  N[C@H]1CCOC2=CC=CC=C21 RC811-1 [0,1,0,1,0,0|2,0,0]=4
31  B12R2.24  C[C@@H]1CC2=CC=CC=C2C=N1 RC818-1 [0,1,0,1,0,0|1,0,1]=4