0 B10R1.1 CCOC1=CC=C(N)C=C1 M19496 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.1 N#CCc1ccc(O)cc1 M22659 [0,0,0,0,0,0|0,0,2]=2 2 B10R1.1 NCCC1=CC=C(O)C=C1 M13750 [0,0,0,0,0,0|0,0,0]=0 3 B10R1.1 NCCc1ccc(O)cc1 M18703 [0,0,0,0,0,0|0,0,0]=0 4 B10R1.1 NCCc1ccc(O)cc1 M21102 [0,0,0,0,0,0|0,0,0]=0 5 B10R1.1 OCCc1ccc(O)cc1 M18667 [0,0,0,0,0,0|1,0,0]=1 6 B9R1.1 C=Cc1ccc(O)cc1 M26541 [1,0,0,0,0,0|0,0,2]=3 7 B9R1.1 CCc1ccc(O)cc1 M20523 [1,0,0,0,0,0|0,0,0]=1 8 B9R1.1 COC1=CC=C(F)C=C1 M14546 [1,0,0,0,0,0|2,0,0]=3 9 B9R1.1 COC1=CC=C(O)C=C1 M12104 [1,0,0,0,0,0|1,0,0]=2 10 B9R1.1 NCc1ccc(O)cc1 M27368 [1,0,0,0,0,0|0,0,0]=1 11 B9R1.1 NNc1ccc(Cl)cc1 M17796 [1,0,0,0,0,0|2,0,0]=3 12 B9R1.1 O=CC1=CC=C(O)C=C1 M17897 [1,0,0,0,0,0|1,0,1]=3 13 B9R1.1 OCC1=CC=C(O)C=C1 M18916 [1,0,0,0,0,0|1,0,0]=2 14 B9R1.1 OCc1ccc(O)cn1 M28306 [1,0,0,0,0,0|2,0,0]=3 15 B9R1.8 CCOC1=CC=CC=C1 M23245 [1,0,0,0,0,0|2,0,0]=3 16 B9R1.8 CNCc1ccccc1 M21326 [1,0,0,0,0,0|2,0,0]=3 17 B9R1.8 NCCc1ccccc1 M18943 [1,0,0,0,0,0|0,0,0]=1 18 B9R1.8 NCCc1ccccc1 M20880 [1,0,0,0,0,0|0,0,0]=1 19 B9R1.8 NCCc1ccccn1 M24275 [1,0,0,0,0,0|1,0,0]=2 20 B9R1.8 O=CCC1=CC=CC=C1 M17893 [1,0,0,0,0,0|1,0,1]=3 21 B9R1.8 OCCC1=CC=CC=C1 M15237 [1,0,0,0,0,0|1,0,0]=2 22 B9R1.8 OCCC1=CC=CC=N1 M10186 [1,0,0,0,0,0|2,0,0]=3 23 B9R1.8 O\N=C\c1ccccc1 M27255 [1,0,0,0,0,0|2,0,1]=4 24 B11R1.1 COCCC1=CC=C(O)C=C1 M15064 [0,1,0,0,0,0|1,0,0]=2 25 B11R1.1 OCCCc1ccc(O)cc1 M17756 [0,1,0,0,0,0|1,0,0]=2 26 B11R1.20 CC(=O)NC1=CC=C(O)C=C1 M10198 [0,1,0,0,0,0|2,0,1]=4 27 B11R1.20 CC(=O)Oc1ccc(O)cc1 M22549 [0,1,0,0,0,0|2,0,1]=4 28 B11R1.20 N=C(N)Nc1ccc(Cl)cc1 M27453 [0,1,0,0,0,0|2,0,1]=4 29 B11R1.20 NC(=O)NC1=CC=C(Cl)C=C1 M22869 [0,1,0,0,0,0|2,0,1]=4 30 B11R1.20 O=C(O)Cc1ccc(O)cc1 M18084 [0,1,0,0,0,0|1,0,1]=3 31 B11R1.20 [C@H](C)(N)Cc1ccc(O)cc1 M22223 [0,1,0,0,0,0|0,0,0]=1 32 B11R1.22 CCC(=O)C1=CC=C(O)C=C1 M15712 [0,1,0,0,0,0|1,0,1]=3 33 B11R1.22 COC(=O)c1ccc(O)cc1 M19307 [0,1,0,0,0,0|2,0,1]=4 34 B11R1.22 NCC(O)C1=CC=C(O)C=C1 M15912 [0,1,0,0,0,0|0,0,0]=1 35 B11R1.22 NNC(=O)c1ccc(N)cc1 M27839 [0,1,0,0,0,0|2,0,1]=4 36 B11R1.22 O=C(CBr)C1=CC=C(Cl)C=C1 M24520 [0,1,0,0,0,0|2,0,1]=4 37 B11R1.22 O=C(CBr)c1ccc(O)cc1 M18306 [0,1,0,0,0,0|1,0,1]=3 38 B11R1.83 C=CCc1ccc(OC)cc1 M20326 [0,1,0,0,0,0|1,0,1]=3 39 B11R1.83 C\C=C\C1=CC=C(OC)C=C1 M10221 [0,1,0,0,0,0|1,0,2]=4 40 B11R1.83 C\C=C\C1=CC=C(OC)C=C1 M14428 [0,1,0,0,0,0|1,0,2]=4 41 B11R1.192 C=CCC1=CC=C(O)C(O)=C1 M22804 [0,1,0,0,0,0|1,0,1]=3 42 B11R1.192 NCCC1=CC(O)=C(O)C=C1 M15360 [0,1,0,0,0,0|0,0,0]=1 43 B11R1.192 NCCC1=CC(O)=C(O)C=C1 M24487 [0,1,0,0,0,0|0,0,0]=1 44 B11R1.192 OCCc1ccc(O)c(O)c1 M17790 [0,1,0,0,0,0|1,0,0]=2 45 B11R2.36 Oc1ccc2c(c1)OCO2 M18752 [0,0,0,1,0,0|2,0,0]=3 46 B9R1.7 CN1C=NC(CCN)=C1 M22893 [0,0,0,0,1,0|3,0,0]=4 47 B8R1.2 COc1ccccc1 M20226 [2,0,0,0,0,0|1,0,0]=3 48 B8R1.2 NCC1=CC=CN=C1 M14288 [2,0,0,0,0,0|1,0,0]=3 49 B8R1.2 NCc1ccccc1 M19712 [2,0,0,0,0,0|0,0,0]=2 50 B8R1.2 O=CC1=CC=CC=C1 M17745 [2,0,0,0,0,0|1,0,1]=4 51 B8R1.2 OCC1=CC=CC=C1 M10041 [2,0,0,0,0,0|1,0,0]=3 52 B8R1.2 OCC1=CC=CC=N1 M15162 [2,0,0,0,0,0|2,0,0]=4 53 B8R1.2 OCC1=CN=CC=C1 M10048 [2,0,0,0,0,0|2,0,0]=4 54 B8R1.3 Cc1ccc(O)cc1 M19480 [2,0,0,0,0,0|0,0,0]=2 55 B8R1.3 Cc1ccc(O)cc1 M20004 [2,0,0,0,0,0|0,0,0]=2 56 B8R1.3 Clc1ccc(Cl)cc1 M20886 [2,0,0,0,0,0|2,0,0]=4 57 B8R1.3 NC1=CC=C(F)C=C1 M19500 [2,0,0,0,0,0|1,0,0]=3 58 B8R1.3 NC1=CC=C(O)C=C1 M19498 [2,0,0,0,0,0|0,0,0]=2 59 B8R1.3 Nc1ccc(Cl)nc1 M20685 [2,0,0,0,0,0|2,0,0]=4 60 B8R1.3 O=C1C=CC(=O)C=C1 M20231 [2,0,0,0,0,0|1,0,1]=4 61 B8R1.3 OC1=CC=C(Cl)C=C1 M19503 [2,0,0,0,0,0|1,0,0]=3 62 B8R1.3 OC1=CC=C(O)C=C1 M19502 [2,0,0,0,0,0|1,0,0]=3 63 B10R1.3 COc1ccc(C=O)cc1 M21217 [1,1,0,0,0,0|1,0,1]=4 64 B10R1.13 CC(=O)C1=CC=C(C)C=C1 M23388 [1,1,0,0,0,0|1,0,1]=4 65 B10R1.13 CC(=O)C1=CC=C(O)C=C1 M19367 [1,1,0,0,0,0|0,0,1]=3 66 B10R1.13 CC(C)C1=CC=C(O)C=C1 M19495 [1,1,0,0,0,0|0,0,0]=2 67 B10R1.13 CN(C)c1ccc(N)cc1 M19730 [1,1,0,0,0,0|2,0,0]=4 68 B10R1.13 Cc1ccc(C(C)C)cc1 M20194 [1,1,0,0,0,0|1,0,0]=3 69 B10R1.13 O=C(O)C1=CC=C(O)C=C1 M19308 [1,1,0,0,0,0|1,0,1]=4 70 B10R1.13 O=[N+]([O-])c1ccc(O)cc1 M20047 [1,1,0,0,0,0|2,0,0]=4 71 B10R1.25 CCc1ccc(C)cc1O M27942 [1,1,0,0,0,0|1,0,0]=3 72 B10R1.25 O=Cc1ccc(O)cc1O M29441 [1,1,0,0,0,0|1,0,1]=4 73 B10R1.176 NCc1ccc(O)c(O)c1 M26024 [1,1,0,0,0,0|0,0,0]=2 74 B10R1.176 O=Cc1ccc(O)c(O)c1 M17995 [1,1,0,0,0,0|1,0,1]=4 75 B10R1.176 O=c1cc(CO)occ1O M20588 [1,1,0,0,0,0|2,0,0]=4 76 B10R1.4 C=CCc1ccccc1O M27275 [1,1,0,0,0,0|1,0,1]=4 77 B10R1.15 C=CC(O)c1ccccc1 M28378 [1,1,0,0,0,0|1,0,1]=4 78 B10R1.15 N#C[C@H](O)c1ccccc1 M23208 [1,1,0,0,0,0|0,0,2]=4 79 B10R1.15 NCC(O)c1ccccc1 M19713 [1,1,0,0,0,0|0,0,0]=2 80 B10R1.15 OCC(O)C1=CC=CC=C1 M16691 [1,1,0,0,0,0|1,0,0]=3 81 B10R1.17 CCOCc1ccccc1 M28093 [1,1,0,0,0,0|1,0,0]=3 82 B10R1.17 CNCCC1=CC=CC=N1 M14976 [1,1,0,0,0,0|1,0,0]=3 83 B10R1.17 CNCCC1=CC=CC=N1 M15030 [1,1,0,0,0,0|1,0,0]=3 84 B10R1.17 CNCCc1ccccn1 M18815 [1,1,0,0,0,0|1,0,0]=3 85 B10R1.17 NNCCC1=CC=CC=C1 M28748 [1,1,0,0,0,0|0,0,0]=2 86 B10R1.17 NNCCc1ccccc1 M22671 [1,1,0,0,0,0|0,0,0]=2 87 B10R1.17 NNCCc1ccccc1 M28381 [1,1,0,0,0,0|0,0,0]=2 88 B10R1.17 OCCCC1=CC=CC=C1 M19330 [1,1,0,0,0,0|1,0,0]=3 89 B10R1.17 OCCOC1=CC=CC=C1 M23407 [1,1,0,0,0,0|1,0,0]=3 90 B10R1.17 OC\C=C\C1=CC=CC=C1 M17777 [1,1,0,0,0,0|1,0,1]=4 91 B10R1.17 S=C=NCC1=CC=CC=C1 M15355 [1,1,0,0,0,0|1,0,1]=4 92 B10R1.18 O=C(O)Cc1ccccc1 M19689 [1,1,0,0,0,0|1,0,1]=4 93 B12R1.1 CCCCOC1=CC=C(O)C=C1 M10898 [0,2,0,0,0,0|1,0,0]=3 94 B12R1.16 CCCC(=O)c1ccc(F)cc1 M20181 [0,2,0,0,0,0|2,0,0]=4 95 B12R1.16 CCOC(=O)C1=CC=C(O)C=C1 M10748 [0,2,0,0,0,0|1,0,1]=4 96 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 M16729 [0,2,0,0,0,0|0,0,0]=2 97 B12R1.16 CNCC(O)c1ccc(O)cc1 M18871 [0,2,0,0,0,0|0,0,0]=2 98 B12R1.16 O=C(CCO)c1ccc(O)cc1 M29360 [0,2,0,0,0,0|1,0,0]=3 99 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 M18780 [0,2,0,0,0,0|1,0,0]=3 100 B12R1.21 CN(C)CCc1ccc(O)cc1 M18761 [0,2,0,0,0,0|0,0,0]=2 101 B12R1.21 C[C@@H](O)CCc1ccc(O)cc1 M27193 [0,2,0,0,0,0|1,0,0]=3 102 B12R1.21 N=C(N)SCc1ccc(Cl)cc1 M27780 [0,2,0,0,0,0|1,0,1]=4 103 B12R1.21 O=C(O)CCc1ccc(O)cc1 M18668 [0,2,0,0,0,0|1,0,0]=3 104 B12R1.49 CCC(=O)NC1=CC=C(O)C=C1 M23761 [0,2,0,0,0,0|1,0,1]=4 105 B12R1.69 CCCCc1ccc(O)cc1O M20556 [0,2,0,0,0,0|1,0,0]=3 106 B12R1.69 Nc1ccc(OCCO)c(N)c1 M20351 [0,2,0,0,0,0|2,0,0]=4 107 B12R1.4 COc1ccc(CC(=O)O)cc1 M20229 [0,2,0,0,0,0|1,0,1]=4 108 B12R1.19 O=C(O)Cc1ccc(O)c(O)c1 M19538 [0,2,0,0,0,0|1,0,1]=4 109 B12R1.20 N[C@H](C(=O)O)c1ccc(O)cc1 M19593 [0,2,0,0,0,0|1,0,1]=4 110 B12R1.20 O=C(O)C(O)c1ccc(O)cc1 M20044 [0,2,0,0,0,0|1,0,1]=4 111 B12R1.5 COc1ccc(C(=O)CBr)cc1 M20862 [0,2,0,0,0,0|1,0,1]=4 112 B12R1.367 NCC(O)C1=CC(O)=C(O)C=C1 M15678 [0,2,0,0,0,0|0,0,0]=2 113 B12R1.367 NCC(O)C1=CC=C(O)C(O)=C1 M24540 [0,2,0,0,0,0|0,0,0]=2 114 B12R1.367 NCC(O)c1ccc(O)c(O)c1 M22527 [0,2,0,0,0,0|0,0,0]=2 115 B12R1.367 NC[C@H](O)C1=CC(O)=C(O)C=C1 M10329 [0,2,0,0,0,0|0,0,0]=2 116 B12R1.367 NC[C@H](O)c1ccc(O)c(O)c1 M18698 [0,2,0,0,0,0|0,0,0]=2 117 B12R1.1123 NCCc1cc(O)c(O)cc1O M22428 [0,2,0,0,0,0|0,0,0]=2 118 B12R1.1123 NCCc1cc(O)c(O)cc1O M22559 [0,2,0,0,0,0|0,0,0]=2 119 B12R1.288 COC1=CC=C(CC#N)C=C1Br M29554 [0,2,0,0,0,0|0,0,2]=4 120 B12R1.286 C=CCC1=CC=C(O)C(OC)=C1 M16881 [0,2,0,0,0,0|1,0,1]=4 121 B12R1.286 COC1=CC(CCO)=CC=C1O M24097 [0,2,0,0,0,0|1,0,0]=3 122 B12R1.286 COc1cc(CCN)ccc1O M19566 [0,2,0,0,0,0|0,0,0]=2 123 B12R1.286 COc1cc(CCN)ccc1O M21424 [0,2,0,0,0,0|0,0,0]=2 124 B10R2.6 C1=CC=C(C2CO2)C=C1 M19497 [1,0,0,1,0,0|1,0,0]=3 125 B10R2.7 C1=CC=C2NN=CC2=C1 M13828 [1,0,0,1,0,0|1,0,1]=4 126 B10R2.7 c1ccc2c(c1)CCO2 M22654 [1,0,0,1,0,0|1,0,0]=3 127 B12R2.24 Brc1ccc2c(c1)NCCC2 M27587 [0,1,0,1,0,0|1,0,0]=3 128 B8R1.8 NCCC1=CN=CN1 M14782 [1,0,0,0,1,0|2,0,0]=4 129 B8R1.8 NCCC1=CNC=N1 M18704 [1,0,0,0,1,0|2,0,0]=4