0  B14R1.716  O=C(CCl)NCCCC1=CC=CC=C1 SBB037901 [0,0,0,0,0,0|2,0,2]=4
1  B14R1.716  O=C(CCl)NCCOC1=CC=CC=C1 SBB011286 [0,0,0,0,0,0|3,0,1]=4
2  B13R1.337  O=C(O)CS\C=C\C1=CC=CC=C1 SBB091776 [1,0,0,0,0,0|3,0,0]=4
3  B15R1.778  CCOC(=O)CCNCC1=CC=CC=C1 SBB053722 [0,1,0,0,0,0|2,0,1]=4
4  B15R1.959  COC(=O)CCCC(=O)C1=CC=CC=C1 SBB007684 [0,1,0,0,0,0|2,0,1]=4
5  B15R2.29  O=C1CCN(CC2=CC=CC=C2)CC1 SBB055054 [0,0,0,1,0,0|2,0,1]=4
6  B13R1.718  COC(=O)CCCC1=CC=CC=C1 SBB007854 [0,0,0,0,1,0|1,0,2]=4
7  B13R1.718  O=C(CBr)NCCC1=CC=CC=C1 SBB080036 [0,0,0,0,1,0|2,0,1]=4
8  B13R1.718  O=C(CCl)NCCC1=CC=CC=C1 SBB001602 [0,0,0,0,1,0|2,0,1]=4
9  B14R1.423  CC(=O)OCC(=O)NC1=CC=CC=C1 SBB000311 [1,1,0,0,0,0|1,0,0]=3
10  B14R1.163  COC(=O)CCC(=O)C1=CC=CC=C1 SBB008046 [0,1,0,0,1,0|1,0,1]=4
11  B14R2.2  CC(=O)OC1=COC2=CC=CC=C21 SBB116887 [1,0,0,1,0,0|1,0,1]=4
12  B14R2.31359  CC(=O)C1=C2C=CC=CC2=CC=C1 SBB060390 [1,0,0,1,0,0|1,0,1]=4
13  B14R2.31359  CC(=O)C1=CC=CC2=C1C=CC=C2 SBB040260 [1,0,0,1,0,0|1,0,1]=4
14  B14R2.68  O=C1CCC(C2=CC=CC=C2)=NN1 SBB003803 [0,0,0,1,1,0|2,0,0]=4
15  B14R2.68  O=C1CCC(C2=CC=CC=C2)CC1 SBB008578 [0,0,0,1,1,0|0,0,2]=4
16  B14R2.95  CCC(=O)C1=CNC2=CC=CC=C21 SBB080593 [0,0,0,1,1,0|1,0,1]=4
17  B16R2.14  COC(=O)CCC1=CNC2=CC=CC=C12 SBB079286 [0,0,0,1,0,1|2,0,0]=4
18  B16R2.170412  CNC(=O)OC1=CC=CC2=C1C=CC=C2 SBB008157 [0,0,0,1,0,1|1,0,1]=4
19  B16R2.160202  CCOC(=O)C1=CC=CC2=C1C=CC=C2 SBB069566 [0,1,0,1,0,0|1,0,1]=4
20  B12R1.252  CC(=O)CSCC1=CC=CC=C1 SBB058580 [1,0,0,0,1,0|1,0,1]=4
21  B12R1.252  CC(=O)NCCC1=CC=CC=C1 SBB058213 [1,0,0,0,1,0|1,0,1]=4
22  B12R1.252  CC(=O)OCCC1=CC=CC=C1 SBB061194 [1,0,0,0,1,0|0,0,1]=3
23  B12R1.27  C=CC(=O)OCC1=CC=CC=C1 SBB068279 [0,0,0,0,2,0|0,0,2]=4
24  B12R1.27  CCC(=O)NNC1=CC=CC=C1 SBB007827 [0,0,0,0,2,0|2,0,0]=4
25  B12R1.27  CCC(=O)OCC1=CC=CC=C1 SBB061239 [0,0,0,0,2,0|0,0,0]=2
26  B12R1.27  COC(=O)CSC1=CC=CC=C1 SBB089934 [0,0,0,0,2,0|2,0,0]=4
27  B12R1.27  COC(=O)NCC1=CC=CC=C1 SBB080563 [0,0,0,0,2,0|2,0,0]=4
28  B12R1.27  COC(=O)\C=C\C1=CC=CC=C1 SBB058222 [0,0,0,0,2,0|1,0,0]=3
29  B12R1.27  COC(=O)\C=C\C1=CC=NC=C1 SBB079292 [0,0,0,0,2,0|2,0,0]=4
30  B12R1.27  N#CC(=O)OCC1=CC=CC=C1 SBB057332 [0,0,0,0,2,0|1,0,1]=4
31  B12R1.27  NCC(=O)OCC1=CC=CC=C1 SBB063677 [0,0,0,0,2,0|1,0,0]=3
32  B12R1.27  NNC(=O)OCC1=CC=CC=C1 SBB063031 [0,0,0,0,2,0|2,0,0]=4
33  B12R1.27  O=C(CBr)NCC1=CC=CC=C1 SBB080035 [0,0,0,0,2,0|2,0,0]=4
34  B12R1.27  O=C(CBr)OCC1=CC=CC=C1 SBB006752 [0,0,0,0,2,0|1,0,0]=3
35  B12R1.27  O=C(CCl)NCC1=CC=CC=C1 SBB038576 [0,0,0,0,2,0|2,0,0]=4
36  B12R1.27  O=C(CCl)OCC1=CC=CC=C1 SBB064876 [0,0,0,0,2,0|1,0,0]=3
37  B12R1.27  O=C(CS)OCC1=CC=CC=C1 SBB057444 [0,0,0,0,2,0|1,0,0]=3