0 B10R1.3 COc1ccc(C=O)cc1 M21217 [0,0,0,0,0,0|2,0,0]=2 1 B9R1.1 C=Cc1ccc(O)cc1 M26541 [1,0,0,0,0,0|1,0,1]=3 2 B9R1.1 CCc1ccc(O)cc1 M20523 [1,0,0,0,0,0|1,0,0]=2 3 B9R1.1 COC1=CC=C(F)C=C1 M14546 [1,0,0,0,0,0|1,0,0]=2 4 B9R1.1 COC1=CC=C(O)C=C1 M12104 [1,0,0,0,0,0|0,0,0]=1 5 B9R1.1 NCc1ccc(O)cc1 M27368 [1,0,0,0,0,0|2,0,0]=3 6 B9R1.1 NNc1ccc(Cl)cc1 M17796 [1,0,0,0,0,0|3,0,0]=4 7 B9R1.1 O=CC1=CC=C(O)C=C1 M17897 [1,0,0,0,0,0|2,0,0]=3 8 B9R1.1 OCC1=CC=C(O)C=C1 M18916 [1,0,0,0,0,0|2,0,0]=3 9 B9R1.1 OCc1ccc(O)cn1 M28306 [1,0,0,0,0,0|3,0,0]=4 10 B11R1.3 CC(C)c1ccc(C=O)cc1 M20878 [0,1,0,0,0,0|3,0,0]=4 11 B11R1.3 CC(C)c1ccc(CO)cc1 M20877 [0,1,0,0,0,0|3,0,0]=4 12 B11R1.3 COC1=CC=C(C(=O)O)C=C1 M17742 [0,1,0,0,0,0|2,0,0]=3 13 B11R1.3 COC1=NC=C(C(N)=O)C=C1 M24726 [0,1,0,0,0,0|3,0,0]=4 14 B11R1.83 C=CCc1ccc(OC)cc1 M20326 [0,1,0,0,0,0|1,0,1]=3 15 B11R1.83 C\C=C\C1=CC=C(OC)C=C1 M10221 [0,1,0,0,0,0|1,0,0]=2 16 B11R1.83 C\C=C\C1=CC=C(OC)C=C1 M14428 [0,1,0,0,0,0|1,0,0]=2 17 B11R1.279 COC1=C(O)C=C(C=O)C=C1 M19366 [0,1,0,0,0,0|2,0,0]=3 18 B11R1.279 COC1=CC(O)=C(C=O)C=C1 M18979 [0,1,0,0,0,0|2,0,0]=3 19 B9R0.24 COC(=O)\C=C\C(=O)OC M15362 [0,0,1,0,0,0|2,0,0]=3 20 B8R0.9 COC(=O)\C=C\C(=O)O M26304 [1,0,1,0,0,0|2,0,0]=4 21 B8R1.2 COc1ccccc1 M20226 [2,0,0,0,0,0|0,0,0]=2 22 B8R1.2 COc1cnccn1 M24247 [2,0,0,0,0,0|2,0,0]=4 23 B8R1.2 NCc1ccccc1 M19712 [2,0,0,0,0,0|2,0,0]=4 24 B8R1.2 O=CC1=CC=CC=C1 M17745 [2,0,0,0,0,0|2,0,0]=4 25 B8R1.2 OCC1=CC=CC=C1 M10041 [2,0,0,0,0,0|2,0,0]=4 26 B8R1.3 Cc1ccc(O)cc1 M19480 [2,0,0,0,0,0|0,0,0]=2 27 B8R1.3 Cc1ccc(O)cc1 M20004 [2,0,0,0,0,0|0,0,0]=2 28 B8R1.3 Cc1cnc(C)cn1 M19557 [2,0,0,0,0,0|2,0,0]=4 29 B8R1.3 Clc1ccc(Cl)cc1 M20886 [2,0,0,0,0,0|2,0,0]=4 30 B8R1.3 NC1=CC=C(F)C=C1 M19500 [2,0,0,0,0,0|2,0,0]=4 31 B8R1.3 NC1=CC=C(O)C=C1 M19498 [2,0,0,0,0,0|1,0,0]=3 32 B8R1.3 O=C1C=CC(=O)C=C1 M20231 [2,0,0,0,0,0|0,0,2]=4 33 B8R1.3 OC1=CC=C(Cl)C=C1 M19503 [2,0,0,0,0,0|1,0,0]=3 34 B8R1.3 OC1=CC=C(O)C=C1 M19502 [2,0,0,0,0,0|0,0,0]=2 35 B10R1.1 CCOC1=CC=C(N)C=C1 M19496 [1,1,0,0,0,0|1,0,0]=3 36 B10R1.1 N#CCc1ccc(O)cc1 M22659 [1,1,0,0,0,0|1,0,1]=4 37 B10R1.1 NCCC1=CC=C(O)C=C1 M13750 [1,1,0,0,0,0|1,0,0]=3 38 B10R1.1 NCCc1ccc(O)cc1 M18703 [1,1,0,0,0,0|1,0,0]=3 39 B10R1.1 NCCc1ccc(O)cc1 M21102 [1,1,0,0,0,0|1,0,0]=3 40 B10R1.1 OCCc1ccc(O)cc1 M18667 [1,1,0,0,0,0|1,0,0]=3 41 B10R1.13 CC(=O)C1=CC=C(C)C=C1 M23388 [1,1,0,0,0,0|1,0,0]=3 42 B10R1.13 CC(=O)C1=CC=C(O)C=C1 M19367 [1,1,0,0,0,0|1,0,0]=3 43 B10R1.13 CC(C)C1=CC=C(O)C=C1 M19495 [1,1,0,0,0,0|1,0,0]=3 44 B10R1.13 CN(C)c1ccc(N)cc1 M19730 [1,1,0,0,0,0|2,0,0]=4 45 B10R1.13 Cc1ccc(C(=O)O)cc1 M22657 [1,1,0,0,0,0|2,0,0]=4 46 B10R1.13 Cc1ccc(C(C)C)cc1 M20194 [1,1,0,0,0,0|1,0,0]=3 47 B10R1.13 O=C(O)C1=CC=C(O)C=C1 M19308 [1,1,0,0,0,0|2,0,0]=4 48 B10R1.13 O=[N+]([O-])c1ccc(O)cc1 M20047 [1,1,0,0,0,0|2,0,0]=4 49 B10R1.25 CCc1ccc(C)cc1O M27942 [1,1,0,0,0,0|1,0,0]=3 50 B10R1.25 Cc1ccc(C=O)c(O)c1 M28089 [1,1,0,0,0,0|2,0,0]=4 51 B10R1.25 O=Cc1ccc(O)cc1O M29441 [1,1,0,0,0,0|2,0,0]=4 52 B10R1.176 NCc1ccc(O)c(O)c1 M26024 [1,1,0,0,0,0|2,0,0]=4 53 B10R1.176 O=Cc1ccc(O)c(O)c1 M17995 [1,1,0,0,0,0|2,0,0]=4 54 B12R1.5 COC(=O)C1=CC=C(OC)C=C1 M23386 [0,2,0,0,0,0|0,0,0]=2 55 B12R1.5 COc1ccc(C(=O)CBr)cc1 M20862 [0,2,0,0,0,0|1,0,0]=3 56 B12R1.48 COC1=C(O)C=C(C(C)=O)C=C1 M24608 [0,2,0,0,0,0|1,0,0]=3 57 B12R1.48 COc1ccc(C(=O)O)cc1O M20478 [0,2,0,0,0,0|2,0,0]=4 58 B12R1.256 CC(=O)C1=CC=C(S(C)=O)C=C1 M24257 [0,2,0,0,0,0|1,1,0]=4 59 B12R1.256 CN(C)C1=CC=C(N(C)C)C=C1 M28331 [0,2,0,0,0,0|2,0,0]=4 60 B12R1.452 COC1=CC(O)=C(C(=O)O)C=C1 M18258 [0,2,0,0,0,0|2,0,0]=4 61 B12R1.452 COC1=CC=C(C(C)=O)C(O)=C1 M15001 [0,2,0,0,0,0|1,0,0]=3 62 B12R1.4 COc1ccc(CC(=O)O)cc1 M20229 [0,2,0,0,0,0|1,0,1]=4 63 B12R1.288 COC1=CC=C(CC#N)C=C1Br M29554 [0,2,0,0,0,0|1,0,1]=4 64 B12R1.78 COC1=C(OC)C=C(CO)C=C1 M16658 [0,2,0,0,0,0|2,0,0]=4 65 B12R1.78 COc1ccc(C=O)cc1OC M20321 [0,2,0,0,0,0|2,0,0]=4 66 B12R1.450 COC1=CC(=O)C(OC)=CC1=O M29471 [0,2,0,0,0,0|0,0,0]=2 67 B12R1.653 COc1ccc(C=O)c(O)c1O M27382 [0,2,0,0,0,0|2,0,0]=4