0 B13R1.386 COC1=C(OC)C=C(CCO)C=C1 26849 [0,0,0,0,0,0|1,0,1]=2 1 B12R1.78 COC1=C(OC)C=C(C=O)C=C1 26877 [1,0,0,0,0,0|1,0,0]=2 2 B12R1.78 COC1=C(OC)C=C(CO)C=C1 26916 [1,0,0,0,0,0|1,0,0]=2 3 B12R1.286 COC1=CC(CCN)=CC=C1O 10603 [1,0,0,0,0,0|1,0,1]=3 4 B14R1.793 CNCCC1=CC(OC)=C(OC)C=C1 32465 [0,1,0,0,0,0|0,0,2]=3 5 B14R1.793 COC1=C(OC)C=C(\C=C\C#N)C=C1 26795 [0,1,0,0,0,0|0,0,2]=3 6 B14R1.1864 COC1=C(OC)C=C(C(O)CN)C=C1 23302 [0,1,0,0,0,0|1,0,1]=3 7 B14R1.3651 COC1=C(OC)C=C(CC(=O)O)C=C1 21921 [0,1,0,0,0,0|1,0,0]=2 8 B14R2.82 COC1=CC2=C(C=C1OC)NC=C2 21180 [0,0,0,1,0,0|1,0,0]=2 9 B11R1.37 COC1=CC=C(Br)C=C1OC 27167 [2,0,0,0,0,0|1,0,0]=3 10 B11R1.279 COC1=C(Br)C=C(C=O)C=C1 27411 [2,0,0,0,0,0|2,0,0]=4 11 B11R1.279 COC1=C(C)C=C(C#N)C=C1 31881 [2,0,0,0,0,0|1,0,1]=4 12 B11R1.279 COC1=C(I)C=C(CO)C=C1 28879 [2,0,0,0,0,0|2,0,0]=4 13 B11R1.279 COC1=CC=C(C#N)C=C1O 28622 [2,0,0,0,0,0|1,0,1]=4 14 B11R1.279 COC1=CC=C(C=O)C=C1I 25017 [2,0,0,0,0,0|2,0,0]=4 15 B11R1.279 COC1=CC=C(CN)C=C1Cl 24189 [2,0,0,0,0,0|2,0,0]=4 16 B11R1.280 CCC1=CC(OC)=C(O)C=C1 27548 [2,0,0,0,0,0|0,0,1]=3 17 B11R1.280 COC1=C(Cl)C=CC(C=O)=C1 29065 [2,0,0,0,0,0|2,0,0]=4 18 B11R1.280 COC1=C(O)C=CC(C#N)=C1 26790 [2,0,0,0,0,0|1,0,1]=4 19 B11R1.280 COC1=C(O)C=CC(C=O)=C1 27090 [2,0,0,0,0,0|1,0,0]=3 20 B11R1.280 COC1=C(O)C=CC(CN)=C1 27642 [2,0,0,0,0,0|1,0,0]=3 21 B11R1.280 COC1=C(O)C=CC(CO)=C1 12971 [2,0,0,0,0,0|1,0,0]=3 22 B11R1.280 COC1=CC(C=O)=CC=C1F 21819 [2,0,0,0,0,0|2,0,0]=4 23 B11R1.189 COC1=CC=CC(CC#N)=C1 26793 [2,0,0,0,0,0|1,0,1]=4 24 B11R1.189 COC1=CC=CC(CCN)=C1 32493 [2,0,0,0,0,0|1,0,1]=4 25 B11R1.192 NCCC1=CC=C(O)C(O)=C1 11757 [2,0,0,0,0,0|1,0,1]=4 26 B13R1.355 COCC1=C(OC)C=CC(C=O)=C1 26532 [1,1,0,0,0,0|1,0,0]=3 27 B13R1.2200 COC1=CC(Br)=C(C=O)C=C1OC 26867 [1,1,0,0,0,0|1,0,0]=3 28 B13R1.3091 COC1=C(OC)C=C(C(=N)N)C=C1 20084 [1,1,0,0,0,0|1,0,0]=3 29 B13R1.3091 COC1=C(OC)C=C(C(=O)O)C=C1 29905 [1,1,0,0,0,0|1,0,0]=3 30 B13R1.3091 COC1=C(OC)C=C(C(C)=O)C=C1 30366 [1,1,0,0,0,0|0,0,1]=3 31 B13R1.3091 COC1=C(OC)C=C([N+](=O)[O-])C=C1 27108 [1,1,0,0,0,0|2,0,0]=4 32 B13R1.52 COC1=C(O)C=CC(CC(=O)O)=C1 02317 [1,1,0,0,0,0|1,0,0]=3 33 B13R1.35 COC1=C(C)C=C(CC(=O)O)C=C1 27597 [1,1,0,0,0,0|1,0,0]=3 34 B13R1.35 COC1=C(Cl)C=C(CC(=O)O)C=C1 28630 [1,1,0,0,0,0|2,0,0]=4 35 B15R1.12854 COC1=C(OC)C=C(CCC(=O)O)C=C1 26846 [0,2,0,0,0,0|0,0,1]=3 36 B15R1.12854 COC1=C(OC)C=C(\C=C\C(=O)O)C=C1 30871 [0,2,0,0,0,0|0,0,1]=3 37 B15R1.3705 COC1=CC(CC#N)=CC(OC)=C1OC 26794 [0,2,0,0,0,0|1,0,1]=4 38 B13R2.57 NNC1=CC=C2OCCOC2=C1 17546 [1,0,0,1,0,0|2,0,0]=4 39 B13R2.599 COC1=CC2=C(C=CN2)C=C1Cl 21015 [1,0,0,1,0,0|2,0,0]=4 40 B13R2.84 COC1=C(C)C2=C(C=C1)NC=C2 20924 [1,0,0,1,0,0|1,0,0]=3 41 B15R2.1668 O=C(O)CC1=CC2=C(C=C1)OCCO2 24668 [0,1,0,1,0,0|1,0,0]=3