0 B9R1.8 CCOC1=CC=CC=C1 M23245 [0,0,0,0,0,0|2,0,0]=2 1 B9R1.8 CNCc1ccccc1 M21326 [0,0,0,0,0,0|2,0,0]=2 2 B9R1.8 NCCc1ccccc1 M18943 [0,0,0,0,0,0|0,0,0]=0 3 B9R1.8 NCCc1ccccc1 M20880 [0,0,0,0,0,0|0,0,0]=0 4 B9R1.8 NCCc1ccccn1 M24275 [0,0,0,0,0,0|1,0,0]=1 5 B9R1.8 O=CCC1=CC=CC=C1 M17893 [0,0,0,0,0,0|1,0,1]=2 6 B9R1.8 OCCC1=CC=CC=C1 M15237 [0,0,0,0,0,0|1,0,0]=1 7 B9R1.8 OCCC1=CC=CC=N1 M10186 [0,0,0,0,0,0|2,0,0]=2 8 B9R1.8 O\N=C\c1ccccc1 M27255 [0,0,0,0,0,0|2,0,1]=3 9 B8R1.2 C=CC1=CC=CC=N1 M19493 [1,0,0,0,0,0|1,0,2]=4 10 B8R1.2 COc1ccccc1 M20226 [1,0,0,0,0,0|1,0,0]=2 11 B8R1.2 COc1cnccn1 M24247 [1,0,0,0,0,0|3,0,0]=4 12 B8R1.2 NCC1=CC=CN=C1 M14288 [1,0,0,0,0,0|1,0,0]=2 13 B8R1.2 NCc1ccccc1 M19712 [1,0,0,0,0,0|0,0,0]=1 14 B8R1.2 O=CC1=CC=CC=C1 M17745 [1,0,0,0,0,0|1,0,1]=3 15 B8R1.2 OCC1=CC=CC=C1 M10041 [1,0,0,0,0,0|1,0,0]=2 16 B8R1.2 OCC1=CC=CC=N1 M15162 [1,0,0,0,0,0|2,0,0]=3 17 B8R1.2 OCC1=CN=CC=C1 M10048 [1,0,0,0,0,0|2,0,0]=3 18 B10R1.1 CCOC1=CC=C(N)C=C1 M19496 [0,1,0,0,0,0|2,0,0]=3 19 B10R1.1 N#CCc1ccc(O)cc1 M22659 [0,1,0,0,0,0|0,0,2]=3 20 B10R1.1 NCCC1=CC=C(O)C=C1 M13750 [0,1,0,0,0,0|0,0,0]=1 21 B10R1.1 NCCc1ccc(O)cc1 M18703 [0,1,0,0,0,0|0,0,0]=1 22 B10R1.1 NCCc1ccc(O)cc1 M21102 [0,1,0,0,0,0|0,0,0]=1 23 B10R1.1 OCCc1ccc(O)cc1 M18667 [0,1,0,0,0,0|1,0,0]=2 24 B10R1.4 C=CCc1ccccc1O M27275 [0,1,0,0,0,0|1,0,1]=3 25 B10R1.4 O\N=C\C1=CC=CC=C1O M24996 [0,1,0,0,0,0|2,0,1]=4 26 B10R1.15 C=CC(O)c1ccccc1 M28378 [0,1,0,0,0,0|1,0,1]=3 27 B10R1.15 CNC(=O)c1ccccc1 M26316 [0,1,0,0,0,0|2,0,1]=4 28 B10R1.15 N#C[C@H](O)c1ccccc1 M23208 [0,1,0,0,0,0|0,0,2]=3 29 B10R1.15 NCC(O)c1ccccc1 M19713 [0,1,0,0,0,0|0,0,0]=1 30 B10R1.15 NNC(=O)C1=CC=CC=N1 M11949 [0,1,0,0,0,0|2,0,1]=4 31 B10R1.15 NNC(=O)C1=CC=NC=C1 M14975 [0,1,0,0,0,0|2,0,1]=4 32 B10R1.15 NNC(=O)C1=CN=CC=C1 M15011 [0,1,0,0,0,0|2,0,1]=4 33 B10R1.15 O=CC(=O)c1ccccc1 M28183 [0,1,0,0,0,0|1,0,2]=4 34 B10R1.15 OCC(O)C1=CC=CC=C1 M16691 [0,1,0,0,0,0|1,0,0]=2 35 B10R1.17 CCOCc1ccccc1 M28093 [0,1,0,0,0,0|1,0,0]=2 36 B10R1.17 CNCCC1=CC=CC=N1 M14976 [0,1,0,0,0,0|1,0,0]=2 37 B10R1.17 CNCCC1=CC=CC=N1 M15030 [0,1,0,0,0,0|1,0,0]=2 38 B10R1.17 CNCCc1ccccn1 M18815 [0,1,0,0,0,0|1,0,0]=2 39 B10R1.17 NNCCC1=CC=CC=C1 M28748 [0,1,0,0,0,0|0,0,0]=1 40 B10R1.17 NNCCc1ccccc1 M22671 [0,1,0,0,0,0|0,0,0]=1 41 B10R1.17 NNCCc1ccccc1 M28381 [0,1,0,0,0,0|0,0,0]=1 42 B10R1.17 O=C\C=C\C1=CC=CC=C1 M17778 [0,1,0,0,0,0|1,0,2]=4 43 B10R1.17 O=C\C=C\C1=CC=CC=C1 M18016 [0,1,0,0,0,0|1,0,2]=4 44 B10R1.17 OCCCC1=CC=CC=C1 M19330 [0,1,0,0,0,0|1,0,0]=2 45 B10R1.17 OCCOC1=CC=CC=C1 M23407 [0,1,0,0,0,0|1,0,0]=2 46 B10R1.17 OC\C=C\C1=CC=CC=C1 M17777 [0,1,0,0,0,0|1,0,1]=3 47 B10R1.17 S=C=NCC1=CC=CC=C1 M15355 [0,1,0,0,0,0|1,0,1]=3 48 B10R1.18 CC(=O)NC1=CC=CC=C1 M19489 [0,1,0,0,0,0|2,0,1]=4 49 B10R1.18 CC(=O)OC1=CC=CC=C1 M10882 [0,1,0,0,0,0|2,0,1]=4 50 B10R1.18 CC(=S)Nc1ccccc1 M27241 [0,1,0,0,0,0|2,0,1]=4 51 B10R1.18 O=C(O)CC1=CN=CC=C1 M15439 [0,1,0,0,0,0|2,0,1]=4 52 B10R1.18 O=C(O)Cc1ccccc1 M19689 [0,1,0,0,0,0|1,0,1]=3 53 B10R2.6 C1=CC=C(C2CO2)C=C1 M19497 [0,0,0,1,0,0|1,0,0]=2 54 B10R2.7 C1=CC=C2NN=CC2=C1 M13828 [0,0,0,1,0,0|1,0,1]=3 55 B10R2.7 c1ccc2c(c1)CCO2 M22654 [0,0,0,1,0,0|1,0,0]=2 56 B8R1.8 NCCC1=CN=CN1 M14782 [0,0,0,0,1,0|2,0,0]=3 57 B8R1.8 NCCC1=CNC=N1 M18704 [0,0,0,0,1,0|2,0,0]=3 58 B7R1.3 Cc1cnccn1 M28185 [2,0,0,0,0,0|2,0,0]=4 59 B7R1.3 NC1=CC=NC=C1 M14717 [2,0,0,0,0,0|1,0,0]=3 60 B7R1.3 Nc1ccccc1 M19715 [2,0,0,0,0,0|0,0,0]=2 61 B7R1.3 OC1=CC=CC=C1 M19463 [2,0,0,0,0,0|1,0,0]=3 62 B9R1.1 C=Cc1ccc(O)cc1 M26541 [1,1,0,0,0,0|0,0,2]=4 63 B9R1.1 CCc1ccc(O)cc1 M20523 [1,1,0,0,0,0|0,0,0]=2 64 B9R1.1 COC1=CC=C(F)C=C1 M14546 [1,1,0,0,0,0|1,0,0]=3 65 B9R1.1 COC1=CC=C(O)C=C1 M12104 [1,1,0,0,0,0|1,0,0]=3 66 B9R1.1 NCc1ccc(O)cc1 M27368 [1,1,0,0,0,0|0,0,0]=2 67 B9R1.1 NNc1ccc(Cl)cc1 M17796 [1,1,0,0,0,0|1,0,0]=3 68 B9R1.1 O=CC1=CC=C(O)C=C1 M17897 [1,1,0,0,0,0|1,0,1]=4 69 B9R1.1 OCC1=CC=C(O)C=C1 M18916 [1,1,0,0,0,0|1,0,0]=3 70 B9R1.1 OCc1ccc(O)cn1 M28306 [1,1,0,0,0,0|2,0,0]=4 71 B9R1.2 CNC1=CC=CC(C)=C1 M15666 [1,1,0,0,0,0|1,0,0]=3 72 B9R1.2 NCc1ccnc(Cl)c1 M20701 [1,1,0,0,0,0|1,0,0]=3 73 B9R1.2 O=Cc1cccc(O)c1 M19537 [1,1,0,0,0,0|1,0,1]=4 74 B9R1.2 OCc1cccc(O)c1 M19645 [1,1,0,0,0,0|1,0,0]=3 75 B9R1.2 [O-][N+]1=CC=CC(CO)=C1 M15672 [1,1,0,0,0,0|2,0,0]=4 76 B9R1.6 CC(=O)c1ccccc1 M20888 [1,1,0,0,0,0|0,0,1]=3 77 B9R1.6 C[C@H](O)c1ccccc1 M19564 [1,1,0,0,0,0|0,0,0]=2 78 B9R1.6 N=C(N)c1ccccc1 M21570 [1,1,0,0,0,0|0,0,1]=3 79 B9R1.6 NC(=O)C1=CC=CC=C1 M18793 [1,1,0,0,0,0|0,0,1]=3 80 B9R1.6 NC(=O)C1=CC=CC=N1 M18028 [1,1,0,0,0,0|1,0,1]=4 81 B9R1.6 NC(=O)C1=CC=CN=C1 M16902 [1,1,0,0,0,0|1,0,1]=4 82 B9R1.6 NC(=O)C1=CC=NC=C1 M11951 [1,1,0,0,0,0|1,0,1]=4 83 B9R1.6 NC(=S)C1=CC=NC=C1 M13498 [1,1,0,0,0,0|1,0,1]=4 84 B9R1.6 O=C(O)C1=CC=CC=C1 M15503 [1,1,0,0,0,0|1,0,1]=4 85 B9R1.6 O=C([O-])c1ccccc1 M21192 [1,1,0,0,0,0|1,0,1]=4 86 B9R1.6 O=[PH](O)c1ccccc1 M27267 [1,1,0,0,0,0|2,0,0]=4 87 B9R1.6 OB(O)c1ccccc1 M27962 [1,1,0,0,0,0|2,0,0]=4 88 B9R1.15 COC1=CC=CC=C1O M16473 [1,1,0,0,0,0|1,0,0]=3 89 B9R1.15 NCc1ccccc1O M28366 [1,1,0,0,0,0|0,0,0]=2 90 B9R1.15 OCc1ccccc1O M16468 [1,1,0,0,0,0|1,0,0]=3 91 B9R1.7 CN1C=NC(CCN)=C1 M22893 [0,1,0,0,1,0|2,0,0]=4 92 B9R1.33 Cn1cncc1CCN M19737 [0,1,0,0,1,0|2,0,0]=4 93 B11R1.1 COCCC1=CC=C(O)C=C1 M15064 [0,2,0,0,0,0|1,0,0]=3 94 B11R1.1 OCCCc1ccc(O)cc1 M17756 [0,2,0,0,0,0|1,0,0]=3 95 B11R1.20 N=C(N)Nc1ccc(Cl)cc1 M27453 [0,2,0,0,0,0|1,0,1]=4 96 B11R1.20 NC(=O)NC1=CC=C(Cl)C=C1 M22869 [0,2,0,0,0,0|1,0,1]=4 97 B11R1.20 O=C(O)Cc1ccc(O)cc1 M18084 [0,2,0,0,0,0|1,0,1]=4 98 B11R1.20 [C@H](C)(N)Cc1ccc(O)cc1 M22223 [0,2,0,0,0,0|0,0,0]=2 99 B11R1.22 CCC(=O)C1=CC=C(O)C=C1 M15712 [0,2,0,0,0,0|1,0,1]=4 100 B11R1.22 NCC(O)C1=CC=C(O)C=C1 M15912 [0,2,0,0,0,0|0,0,0]=2 101 B11R1.22 NNC(=O)c1ccc(N)cc1 M27839 [0,2,0,0,0,0|1,0,1]=4 102 B11R1.22 O=C(CBr)C1=CC=C(Cl)C=C1 M24520 [0,2,0,0,0,0|1,0,1]=4 103 B11R1.22 O=C(CBr)c1ccc(O)cc1 M18306 [0,2,0,0,0,0|1,0,1]=4 104 B11R1.83 C=CCc1ccc(OC)cc1 M20326 [0,2,0,0,0,0|1,0,1]=4 105 B11R1.192 C=CCC1=CC=C(O)C(O)=C1 M22804 [0,2,0,0,0,0|1,0,1]=4 106 B11R1.192 NCCC1=CC(O)=C(O)C=C1 M15360 [0,2,0,0,0,0|0,0,0]=2 107 B11R1.192 NCCC1=CC(O)=C(O)C=C1 M24487 [0,2,0,0,0,0|0,0,0]=2 108 B11R1.192 OCCc1ccc(O)c(O)c1 M17790 [0,2,0,0,0,0|1,0,0]=3 109 B11R1.86 O=C(O)Cc1ccccc1O M20039 [0,2,0,0,0,0|1,0,1]=4 110 B11R1.222 CCC(=O)C1=CC=CC=C1O M24610 [0,2,0,0,0,0|1,0,1]=4 111 B11R1.157 CC(N)Cc1cccc(O)c1 M28405 [0,2,0,0,0,0|0,0,0]=2 112 B11R1.157 O=C(O)Cc1cccc(O)c1 M19649 [0,2,0,0,0,0|1,0,1]=4 113 B11R1.189 COc1cccc(CCN)c1 M21105 [0,2,0,0,0,0|0,0,0]=2 114 B11R1.16 CCCC(=O)C1=CC=CC=C1 M24452 [0,2,0,0,0,0|1,0,0]=3 115 B11R1.16 C[C@@H](N=C=S)c1ccccc1 M27150 [0,2,0,0,0,0|1,0,1]=4 116 B11R1.16 O=C(CCCl)C1=CC=CC=C1 M16706 [0,2,0,0,0,0|1,0,0]=3 117 B11R1.36 NC(C(=O)O)c1ccccc1 M26535 [0,2,0,0,0,0|1,0,1]=4 118 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 M18892 [0,2,0,0,0,0|1,0,1]=4 119 B11R1.36 O=C(O)C(O)c1ccccc1 M19671 [0,2,0,0,0,0|1,0,1]=4 120 B11R1.28 NCCSSC1=NC=CC=C1 M23266 [0,2,0,0,0,0|1,0,0]=3 121 B11R1.28 S=C=NCCC1=CC=CC=C1 M22864 [0,2,0,0,0,0|0,0,1]=3 122 B11R1.91 CC(=O)CCC1=CC=CC=C1 M18315 [0,2,0,0,0,0|1,0,0]=3 123 B11R1.91 CC(=O)COc1ccccc1 M27826 [0,2,0,0,0,0|1,0,1]=4 124 B11R1.91 CC(=O)NCc1ccccc1 M22662 [0,2,0,0,0,0|1,0,1]=4 125 B11R1.91 CC(=O)OCc1ccccc1 M20248 [0,2,0,0,0,0|1,0,1]=4 126 B11R1.91 NC(=O)NCc1ccccc1 M27376 [0,2,0,0,0,0|0,0,1]=3 127 B11R1.91 NC(=O)\C=C\c1ccccc1 M26562 [0,2,0,0,0,0|0,0,2]=4 128 B11R1.91 O=C(O)CCc1ccccc1 M18665 [0,2,0,0,0,0|1,0,0]=3 129 B11R1.509 O=S(=O)(F)CC1=CC=CC=C1 M14093 [0,2,0,0,0,0|2,0,0]=4 130 B11R1.509 [*][N+](C)(C)CC1=CC=CC=C1 M15995 [0,2,0,0,0,0|2,0,0]=4 131 B11R2.36 Oc1ccc2c(c1)OCO2 M18752 [0,1,0,1,0,0|2,0,0]=4 132 B11R2.10 NC1=NC2=CC=CC=C2S1 M11521 [0,1,0,1,0,0|1,0,1]=4 133 B11R2.10 O=C1Cc2ccccc2N1 M22658 [0,1,0,1,0,0|0,0,1]=3 134 B11R2.10 O=C1NC2=CC=CC=C2N1 M15321 [0,1,0,1,0,0|1,0,1]=4 135 B11R2.10 S=C1NC2=CC=CC=C2S1 M23643 [0,1,0,1,0,0|1,0,1]=4 136 B11R2.1 ClC1=CNC2=C1C=CC=C2 M29561 [0,1,0,1,0,0|0,0,2]=4 137 B11R2.1 Nn1nnc2ccccc21 M20548 [0,1,0,1,0,0|2,0,0]=4 138 B11R2.1 O=C1CCC2=CC=CC=C12 M16089 [0,1,0,1,0,0|1,0,0]=3 139 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 M13104 [0,1,0,1,0,0|0,0,0]=2 140 B11R2.4 N[C@@H]1C[C@H]1c2ccccc2 M21134 [0,1,0,1,0,0|0,0,0]=2