0 B12R1.78 CCC1=C(OC)C=CC(OC)=C1 B050664 [0,0,0,0,0,0|3,0,0]=3 1 B12R1.78 COC1=CC=C(C=O)C=C1CCl B006541 [0,0,0,0,0,0|2,0,0]=2 2 B11R1.37 COC1=C(CCl)C=C(Cl)C=C1 B050863 [1,0,0,0,0,0|3,0,0]=4 3 B11R1.37 COC1=CC=C(Br)C=C1C#N B005860 [1,0,0,0,0,0|3,0,0]=4 4 B11R1.37 COC1=CC=C(Br)C=C1C=O B005855 [1,0,0,0,0,0|3,0,0]=4 5 B11R1.279 COC1=C(Br)C=C(C=O)C=C1 B004285 [1,0,0,0,0,0|1,0,0]=2 6 B11R1.279 COC1=C(O)C=C(CN)C=C1 B048498 [1,0,0,0,0,0|1,0,1]=3 7 B11R1.279 COC1=CC=C(C#N)C=C1O B049493 [1,0,0,0,0,0|1,0,1]=3 8 B11R1.280 COC1=C(O)C=CC(C#N)=C1 B004154 [1,0,0,0,0,0|1,0,1]=3 9 B13R1.355 CCOC1=C(OC)C=CC(C=O)=C1 B004408 [0,1,0,0,0,0|0,0,0]=1 10 B13R1.355 COCC1=CC(C=O)=CC=C1OC B000424 [0,1,0,0,0,0|0,0,0]=1 11 B13R1.434 COC1=C(OC)C(Br)=CC(C=O)=C1 B004803 [0,1,0,0,0,0|0,0,0]=1 12 B13R1.434 COC1=C(OC)C(I)=CC(C=O)=C1 B005529 [0,1,0,0,0,0|0,0,0]=1 13 B13R1.434 COC1=CC(C=O)=CC(Cl)=C1OC B004629 [0,1,0,0,0,0|0,0,0]=1 14 B13R1.1249 CCOC1=CC=C(C=O)C=C1OC B028863 [0,1,0,0,0,0|0,0,0]=1 15 B13R1.2200 COC1=C(OC)C=C(C=O)C(Br)=C1 B005109 [0,1,0,0,0,0|0,0,0]=1 16 B13R1.2200 COC1=CC(N)=C(C#N)C=C1OC B049316 [0,1,0,0,0,0|1,0,1]=3 17 B13R1.2430 COC1=CC=C(OC)C(C(C)N)=C1 B014400 [0,1,0,0,0,0|3,0,0]=4 18 B13R1.3091 COC1=C(OC)C=C(C(C)N)C=C1 B039340 [0,1,0,0,0,0|1,0,1]=3 19 B13R1.3091 COC1=CC=C(C(C)N)C=C1OC B006175 [0,1,0,0,0,0|1,0,1]=3 20 B13R2.2130 CN1CCC2=C1C=CC(C=O)=C2 B050719 [0,0,0,1,0,0|2,0,0]=3 21 B10R1.3 COC1=CC=C(NN)C=C1 B048983 [2,0,0,0,0,0|2,0,0]=4 22 B12R1.270 CCOC1=C(O)C=CC(C#N)=C1 B004190 [1,1,0,0,0,0|1,0,1]=4 23 B12R1.286 COC1=C(O)C=CC(\C=N\O)=C1 B004150 [1,1,0,0,0,0|0,0,1]=3 24 B12R1.300 COC1=C(O)C(Br)=CC(C#N)=C1 B004166 [1,1,0,0,0,0|1,0,1]=4 25 B12R1.300 COC1=C(O)C(Br)=CC(C=O)=C1 B004161 [1,1,0,0,0,0|0,0,0]=2 26 B12R1.300 COC1=C(O)C(Cl)=CC(C#N)=C1 B004160 [1,1,0,0,0,0|1,0,1]=4 27 B12R1.300 COC1=C(O)C(Cl)=CC(C=O)=C1 B004155 [1,1,0,0,0,0|0,0,0]=2 28 B12R1.300 COC1=C(O)C(I)=CC(C#N)=C1 B004184 [1,1,0,0,0,0|1,0,1]=4 29 B12R1.300 COC1=C(O)C(I)=CC(C=O)=C1 B004179 [1,1,0,0,0,0|0,0,0]=2 30 B12R1.449 COC1=C(O)C=C(Br)C(C=O)=C1 B004167 [1,1,0,0,0,0|0,0,0]=2 31 B12R1.622 COC1=COC(C(=O)O)=C1OC B048951 [0,1,0,0,1,0|1,0,0]=3 32 B14R1.759 CCCOC1=CC(C=O)=CC=C1OC B014198 [0,2,0,0,0,0|0,0,0]=2 33 B14R1.759 CCOCC1=CC(C=O)=CC=C1OC B006555 [0,2,0,0,0,0|0,0,0]=2 34 B14R1.3723 COC1=C(OC(C)=O)C=C(C#N)C=C1 B050398 [0,2,0,0,0,0|1,0,1]=4 35 B14R1.5236 CCOC1=CC=C(C=O)C=C1OCC B000267 [0,2,0,0,0,0|0,0,0]=2 36 B14R1.5236 CCOC1=CC=C(CN)C=C1OCC B014399 [0,2,0,0,0,0|1,0,1]=4 37 B14R1.5317 CCOC1=C(OC)C(Br)=CC(C=O)=C1 B004911 [0,2,0,0,0,0|0,0,0]=2 38 B14R1.5317 CCOC1=C(OC)C(I)=CC(C=O)=C1 B005613 [0,2,0,0,0,0|0,0,0]=2 39 B14R1.5317 CCOC1=CC(C=O)=CC(Cl)=C1OC B004701 [0,2,0,0,0,0|0,0,0]=2 40 B14R1.15069 CCOC1=C(OC)C=C(Br)C(C=O)=C1 B005205 [0,2,0,0,0,0|0,0,0]=2 41 B14R1.556 COC1=CC(C#N)=C(Br)C(Br)=C1OC B005408 [0,2,0,0,0,0|1,0,1]=4 42 B14R1.14885 CCOC1=C(Cl)C=C(C=O)C=C1OC B004635 [0,2,0,0,0,0|0,0,0]=2 43 B14R1.14885 CCOC1=C(OC)C=C(C=O)C=C1Br B004809 [0,2,0,0,0,0|0,0,0]=2 44 B14R1.14885 CCOC1=C(OC)C=C(C=O)C=C1I B005535 [0,2,0,0,0,0|0,0,0]=2 45 B14R1.101 COC1=C(OC(F)F)C=CC(CN)=C1 B047237 [0,2,0,0,0,0|1,0,1]=4 46 B14R1.101 COC1=CC(C#N)=CC=C1OC(F)F B018637 [0,2,0,0,0,0|1,0,1]=4 47 B14R1.101 COC1=CC(C=O)=CC=C1OC(C)C B000257 [0,2,0,0,0,0|0,0,0]=2 48 B14R1.101 COC1=CC(C=O)=CC=C1OC(F)F B014002 [0,2,0,0,0,0|0,0,0]=2 49 B14R1.1355 CCCOC1=CC=C(C=O)C=C1OC B000245 [0,2,0,0,0,0|0,0,0]=2 50 B14R1.1355 COC1=C(OCC#N)C=CC(C=O)=C1 B004352 [0,2,0,0,0,0|0,0,0]=2 51 B14R1.1355 COC1=C(OCCO)C=CC(C=O)=C1 B004346 [0,2,0,0,0,0|0,0,0]=2 52 B14R1.15070 CCOC1=C(OC)C=C(C=O)C(Br)=C1 B005115 [0,2,0,0,0,0|0,0,0]=2 53 B14R1.15070 CCOC1=C(OC)C=C(C=O)C(Cl)=C1 B028885 [0,2,0,0,0,0|0,0,0]=2 54 B12R2.44 NCC1=CC2=C(C=C1)OCO2 B019914 [1,0,0,1,0,0|1,0,1]=4 55 B14R2.1801 CN1CCCC2=C1C=CC(C=O)=C2 B038077 [0,1,0,1,0,0|2,0,0]=4 56 B14R2.1128 CC1=CC2=C(C=C1CN)OCCO2 B050673 [0,1,0,1,0,0|1,0,1]=4 57 B14R2.781 CC(=O)C1=CC=C2OCCOC2=C1 B020249 [0,1,0,1,0,0|0,0,0]=2 58 B14R2.781 O=C(O)C1=CC=C2OCCOC2=C1 B013959 [0,1,0,1,0,0|0,0,0]=2 59 B12R1.58 C(=O)C1=CC(OC)=CC(OC)=C1 B046223 [0,0,0,0,1,1|0,0,0]=2