0  B10R1.17  BrCCCC1=CN=CC=C1 B050854 [0,0,0,0,0,0|3,0,1]=4
1  B10R1.17  NCCCC1=CC=CC=N1 B048973 [0,0,0,0,0,0|3,0,1]=4
2  B9R1.8  BrCCC1=NC=CC=C1 B050856 [1,0,0,0,0,0|2,0,1]=4
3  B9R1.8  CNCC1=CC=CC=N1 B059678 [1,0,0,0,0,0|2,0,1]=4
4  B9R1.8  ClCCC1=NC=CC=C1 B050813 [1,0,0,0,0,0|2,0,1]=4
5  B9R1.8  NOCC1=CC=CC=C1 B022277 [1,0,0,0,0,0|1,0,0]=2
6  B11R1.1  NCCCC1=CC=C(Cl)C=C1 B049887 [0,1,0,0,0,0|2,0,1]=4
7  B11R1.16  CC(N=C=O)C1=CC=CC=C1 B028614 [0,1,0,0,0,0|1,0,1]=3
8  B11R1.16  OC(C#CBr)C1=CC=CC=C1 B049488 [0,1,0,0,0,0|2,0,1]=4
9  B11R1.17  NCCCC1=CC=CC=C1Cl B049213 [0,1,0,0,0,0|2,0,1]=4
10  B11R1.91  O=C(O)CCC1=NC=CC=C1 B039507 [0,1,0,0,0,0|2,0,0]=3
11  B11R1.91  O=C(O)CNC1=CC=CC=C1 B003332 [0,1,0,0,0,0|2,0,0]=3
12  B11R1.91  O=C(O)CSC1=NC=CC=C1 B003349 [0,1,0,0,0,0|3,0,0]=4
13  B11R2.1  NC1=NNC2=C1C=CC=C2 B047143 [0,0,0,1,0,0|3,0,0]=4
14  B10R1.1  CC1=CC=C(CON)C=C1 B018552 [1,1,0,0,0,0|1,0,0]=3
15  B10R1.1  CNCC1=CC=C(O)C=C1 B039566 [1,1,0,0,0,0|1,0,1]=4
16  B10R1.10  CNCC1=CC(O)=CC=C1 B039552 [1,1,0,0,0,0|1,0,1]=4
17  B10R1.15  CCC(N)C1=CC=CC=C1 B006605 [1,1,0,0,0,0|1,0,1]=4
18  B10R1.18  NC(=S)CC1=CC=CC=C1 B039022 [1,1,0,0,0,0|0,1,0]=3
19  B12R1.21  CC1=CC=C(NCC(=O)O)C=C1 B003322 [0,2,0,0,0,0|2,0,0]=4
20  B12R1.21  NC1=CC=C(CCC(=O)O)C=C1 B039360 [0,2,0,0,0,0|1,0,0]=3
21  B12R1.21  O=C(O)CCC1=CC=C(Cl)C=C1 B029582 [0,2,0,0,0,0|1,0,0]=3
22  B12R1.21  O=C(O)CNC1=CC=C(F)C=C1 B003359 [0,2,0,0,0,0|2,0,0]=4
23  B12R1.107  O=[N+]([O-])CC(O)C1=CC=CC=C1 B048718 [0,2,0,0,0,0|2,0,0]=4
24  B12R1.125  CC1=CC=CC=C1NCC(=O)O B003329 [0,2,0,0,0,0|2,0,0]=4
25  B12R1.125  O=C(O)CNC1=CC=CC=C1F B063197 [0,2,0,0,0,0|2,0,0]=4
26  B12R1.226  CC1=CC(NCC(=O)O)=CC=C1 B003340 [0,2,0,0,0,0|2,0,0]=4
27  B12R1.226  O=C(O)CCC1=CC(F)=CC=C1 B049111 [0,2,0,0,0,0|1,0,0]=3
28  B12R1.226  O=C(O)CNC1=CC=CC(Cl)=C1 B003333 [0,2,0,0,0,0|2,0,0]=4
29  B12R1.226  O=C(O)CNC1=CC=CC(F)=C1 B063196 [0,2,0,0,0,0|2,0,0]=4
30  B12R1.27  NNC(=O)CNC1=CC=CC=C1 B003339 [0,2,0,0,0,0|2,0,0]=4
31  B12R1.252  O=C(O)CCCC1=CC=CC=N1 B050627 [0,2,0,0,0,0|2,0,0]=4
32  B12R1.252  O=C(O)CCCC1=CC=NC=C1 B050634 [0,2,0,0,0,0|2,0,0]=4
33  B12R1.43  CC(=O)C(N)CC1=CC=CC=C1 B050535 [0,2,0,0,0,0|1,0,0]=3
34  B12R1.891  NS(=O)(=O)NCC1=CC=CC=C1 B037539 [0,2,0,0,0,0|2,0,0]=4
35  B12R2.32  O=CC1=NC2=CC=CC=C2S1 B059742 [0,1,0,1,0,0|2,0,0]=4
36  B12R2.612  NC1=CC2=C(C=C1)C(=O)OC2 B050678 [0,1,0,1,0,0|0,0,0]=2