0 B10R1.1 BrCCc1ccc(Br)cc1 PI-19204 [0,0,0,0,0,0|1,1,0]=2 1 B10R1.1 BrCCc1ccc(C)cc1 PI-21425 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.1 BrCCc1ccc(Cl)cc1 PI-21415 [0,0,0,0,0,0|1,1,0]=2 3 B10R1.1 BrCCc1ccc(F)cc1 PI-21419 [0,0,0,0,0,0|1,0,0]=1 4 B10R1.1 BrCCc1ccc(cc1)O PI-19128 [0,0,0,0,0,0|2,0,0]=2 5 B10R1.1 C1=CC(=CC=C1C=NO)Cl PI-27545 [0,0,0,0,0,0|2,1,1]=4 6 B10R1.1 C1=CC(=CC=C1C=NO)F PI-23440 [0,0,0,0,0,0|2,0,1]=3 7 B10R1.1 C1=CC(=CC=C1CC#N)Br PI-14499 [0,0,0,0,0,0|0,1,2]=3 8 B10R1.1 C1=CC(=CC=C1CC#N)F PI-16868 [0,0,0,0,0,0|0,0,2]=2 9 B10R1.1 C1=CC(=CC=C1CC#N)N PI-30515 [0,0,0,0,0,0|1,0,2]=3 10 B10R1.1 C1=CC(=CC=C1CCCl)F PI-20050 [0,0,0,0,0,0|1,0,0]=1 11 B10R1.1 C1=CC(=CC=C1CCN)F PI-33070 [0,0,0,0,0,0|0,0,0]=0 12 B10R1.1 C1=CC(=CC=C1CCO)Br PI-44966 [0,0,0,0,0,0|1,1,0]=2 13 B10R1.1 C1=CC(=CC=C1CCO)Cl PI-46018 [0,0,0,0,0,0|1,1,0]=2 14 B10R1.1 C1=CC(=CC=C1CCO)N PI-10092 [0,0,0,0,0,0|2,0,0]=2 15 B10R1.1 C1=CC(=CC=C1CCO)O PI-29634 [0,0,0,0,0,0|2,0,0]=2 16 B10R1.1 C1=CC(=CC=C1N=C=O)F PI-19081 [0,0,0,0,0,0|2,0,1]=3 17 B10R1.1 CC1=CC=C(C=C1)N=C=S PI-48734 [0,0,0,0,0,0|3,0,1]=4 18 B10R1.1 CC1=CC=C(C=C1)SCCl PI-19470 [0,0,0,0,0,0|3,0,0]=3 19 B10R1.1 CCCC1=CC=C(C=C1)Br PI-16232 [0,0,0,0,0,0|1,1,0]=2 20 B10R1.1 CCCC1=CC=C(C=C1)I PI-19089 [0,0,0,0,0,0|1,1,0]=2 21 B10R1.1 CCCC1=CC=C(C=C1)O PI-16209 [0,0,0,0,0,0|2,0,0]=2 22 B10R1.1 CCCC1=CN=C(N=C1)Cl PI-20233 [0,0,0,0,0,0|3,1,0]=4 23 B10R1.1 CCOC1=CC=C(C=C1)Br PI-34197 [0,0,0,0,0,0|2,1,0]=3 24 B10R1.1 CCOC1=CC=C(C=C1)I PI-12223 [0,0,0,0,0,0|2,1,0]=3 25 B10R1.1 CCOC1=NC=C(C=C1)Br PI-23209 [0,0,0,0,0,0|3,1,0]=4 26 B10R1.1 CCOc1ccc(cc1)O PI-27806 [0,0,0,0,0,0|3,0,0]=3 27 B10R1.1 CCOc1ccc(cn1)N PI-33888 [0,0,0,0,0,0|4,0,0]=4 28 B10R1.1 CNCC1=CC=C(C=C1)N PI-30552 [0,0,0,0,0,0|3,0,0]=3 29 B10R1.1 FC1=CC=C(OCC)C=C1 PI-22032 [0,0,0,0,0,0|2,0,0]=2 30 B10R1.1 N#CCC1=CC=C(O)C=C1 PI-11988 [0,0,0,0,0,0|1,0,2]=3 31 B10R1.1 N#CCc1ccc(cc1)C PI-12004 [0,0,0,0,0,0|1,0,2]=3 32 B10R1.1 NCCC1=CC=C(Br)C=C1 PI-15694 [0,0,0,0,0,0|0,1,0]=1 33 B10R1.1 NCCc1ccc(Br)cc1 PI-22229 [0,0,0,0,0,0|0,1,0]=1 34 B10R1.1 NCCc1ccc(O)cc1 PI-16006 [0,0,0,0,0,0|1,0,0]=1 35 B10R1.1 NCCc1ccc(O)cc1 PI-16007 [0,0,0,0,0,0|1,0,0]=1 36 B10R1.1 NCCc1ccc(cc1)N PI-10153 [0,0,0,0,0,0|1,0,0]=1 37 B10R1.1 O=C=Nc1ccc(cc1)C PI-11411 [0,0,0,0,0,0|3,0,1]=4 38 B10R1.1 O=C=Nc1ccc(cc1)Cl PI-11417 [0,0,0,0,0,0|2,1,1]=4 39 B10R1.1 OCCc1ccc(F)cc1 PI-28804 [0,0,0,0,0,0|1,0,0]=1 40 B10R1.1 S=C=Nc1ccc(F)cc1 PI-19162 [0,0,0,0,0,0|2,0,1]=3 41 B10R1.1 [C-]#[N+]CC1=CC=C(C=C1)Cl PI-23615 [0,0,0,0,0,0|2,1,0]=3 42 B9R1.1 BrCc1ccc(Br)cc1 PI-11967 [1,0,0,0,0,0|1,1,0]=3 43 B9R1.1 BrCc1ccc(Cl)cc1 PI-15674 [1,0,0,0,0,0|1,1,0]=3 44 B9R1.1 BrCc1ccc(I)cc1 PI-16508 [1,0,0,0,0,0|1,1,0]=3 45 B9R1.1 Brc1ccc(cc1)[N+]#N PI-10983 [1,0,0,0,0,0|1,1,1]=4 46 B9R1.1 C#CC1=CC=C(C=C1)Br PI-30915 [1,0,0,0,0,0|0,1,2]=4 47 B9R1.1 C#Cc1ccc(F)cc1 PI-30917 [1,0,0,0,0,0|0,0,2]=3 48 B9R1.1 C1=CC(=CC=C1C#N)I PI-31146 [1,0,0,0,0,0|0,1,2]=4 49 B9R1.1 C1=CC(=CC=C1C#N)N PI-10997 [1,0,0,0,0,0|1,0,2]=4 50 B9R1.1 C1=CC(=CC=C1C=O)Cl PI-34386 [1,0,0,0,0,0|1,1,1]=4 51 B9R1.1 C1=CC(=CC=C1C=O)F PI-33068 [1,0,0,0,0,0|1,0,1]=3 52 B9R1.1 C1=CC(=CC=C1CBr)F PI-12706 [1,0,0,0,0,0|1,0,0]=2 53 B9R1.1 C1=CC(=CC=C1CCl)Br PI-20545 [1,0,0,0,0,0|1,1,0]=3 54 B9R1.1 C1=CC(=CC=C1CN)Cl PI-11469 [1,0,0,0,0,0|0,1,0]=2 55 B9R1.1 C1=CC(=CC=C1CN)I PI-33700 [1,0,0,0,0,0|0,1,0]=2 56 B9R1.1 C1=CC(=CC=C1CN)O PI-20736 [1,0,0,0,0,0|1,0,0]=2 57 B9R1.1 C1=CC(=CC=C1CO)F PI-16874 [1,0,0,0,0,0|1,0,0]=2 58 B9R1.1 C1=CC(=CC=C1CO)N PI-11961 [1,0,0,0,0,0|2,0,0]=3 59 B9R1.1 C1=CC(=CC=C1CS)F PI-23496 [1,0,0,0,0,0|1,0,0]=2 60 B9R1.1 C1=CC(=CC=C1NN)Br PI-14502 [1,0,0,0,0,0|1,1,0]=3 61 B9R1.1 C1=CC(=CC=C1NN)Br PI-50387 [1,0,0,0,0,0|1,1,0]=3 62 B9R1.1 C1=CC(=CC=C1NN)Br PI-50485 [1,0,0,0,0,0|1,1,0]=3 63 B9R1.1 C1=CC(=CC=C1NN)Cl PI-16438 [1,0,0,0,0,0|1,1,0]=3 64 B9R1.1 C1=CC(=CC=C1NN)Cl PI-50281 [1,0,0,0,0,0|1,1,0]=3 65 B9R1.1 C1=CC(=CC=C1NN)F PI-31312 [1,0,0,0,0,0|1,0,0]=2 66 B9R1.1 C1=CC(=CC=C1NN)I PI-29108 [1,0,0,0,0,0|1,1,0]=3 67 B9R1.1 C1=CC(=NC=C1Br)NN PI-35293 [1,0,0,0,0,0|2,1,0]=4 68 B9R1.1 C1=CC(=NC=C1CBr)Br PI-50654 [1,0,0,0,0,0|2,1,0]=4 69 B9R1.1 C1=CC(=NC=C1CO)N PI-44054 [1,0,0,0,0,0|3,0,0]=4 70 B9R1.1 C1=CC(=NC=C1F)C#N PI-40473 [1,0,0,0,0,0|1,0,2]=4 71 B9R1.1 C=Cc1ccc(cc1)Br PI-22599 [1,0,0,0,0,0|0,1,2]=4 72 B9R1.1 C=Cc1ccc(cc1)Cl PI-38314 [1,0,0,0,0,0|0,1,2]=4 73 B9R1.1 C=Cc1ccc(cc1)N PI-17562 [1,0,0,0,0,0|1,0,2]=4 74 B9R1.1 CC1=CC=C(C=C1)C#C PI-30916 [1,0,0,0,0,0|1,0,2]=4 75 B9R1.1 CC1=CC=C(C=C1)CBr PI-38678 [1,0,0,0,0,0|2,0,0]=3 76 B9R1.1 CC1=CN=C(C=N1)CN PI-48153 [1,0,0,0,0,0|3,0,0]=4 77 B9R1.1 CCC1=CC=C(C=C1)Br PI-16231 [1,0,0,0,0,0|0,1,0]=2 78 B9R1.1 CCC1=CC=C(C=C1)Cl PI-19776 [1,0,0,0,0,0|0,1,0]=2 79 B9R1.1 CCC1=CC=C(C=C1)F PI-22092 [1,0,0,0,0,0|0,0,0]=1 80 B9R1.1 CCC1=CC=C(C=C1)S PI-13700 [1,0,0,0,0,0|1,0,0]=2 81 B9R1.1 CCC1=CN=C(N=C1)Cl PI-21315 [1,0,0,0,0,0|2,1,0]=4 82 B9R1.1 CCc1ccc(C)cc1 PI-36542 [1,0,0,0,0,0|1,0,0]=2 83 B9R1.1 CNC1=CC=C(C=C1)Cl PI-34211 [1,0,0,0,0,0|1,1,0]=3 84 B9R1.1 CNC1=CC=C(C=C1)N PI-10555 [1,0,0,0,0,0|2,0,0]=3 85 B9R1.1 CNC1=CN=C(C=C1)Cl PI-45925 [1,0,0,0,0,0|2,1,0]=4 86 B9R1.1 CNC1=NC=C(Br)C=C1 PI-46679 [1,0,0,0,0,0|2,1,0]=4 87 B9R1.1 CNc1ccc(cc1)Br PI-21585 [1,0,0,0,0,0|1,1,0]=3 88 B9R1.1 COC1=CC=C(C=C1)F PI-12219 [1,0,0,0,0,0|1,0,0]=2 89 B9R1.1 COC1=CC=C(C=C1)S PI-21363 [1,0,0,0,0,0|2,0,0]=3 90 B9R1.1 COC1=CN=C(C=C1)Br PI-45881 [1,0,0,0,0,0|2,1,0]=4 91 B9R1.1 COC1=NC=C(C=C1)F PI-16766 [1,0,0,0,0,0|2,0,0]=3 92 B9R1.1 COc1cc[n+]([O-])cc1 PI-26063 [1,0,0,0,0,0|3,0,0]=4 93 B9R1.1 COc1ccc(Cl)cc1 PI-34198 [1,0,0,0,0,0|1,1,0]=3 94 B9R1.1 COc1ccc(N)cn1 PI-16695 [1,0,0,0,0,0|3,0,0]=4 95 B9R1.1 COc1ccc(O)cn1 PI-26700 [1,0,0,0,0,0|3,0,0]=4 96 B9R1.1 COc1ccc(cc1)Br PI-34196 [1,0,0,0,0,0|1,1,0]=3 97 B9R1.1 COc1ccc(cc1)I PI-33808 [1,0,0,0,0,0|1,1,0]=3 98 B9R1.1 COc1ccc(cc1)O PI-31355 [1,0,0,0,0,0|2,0,0]=3 99 B9R1.1 COc1ccc(cn1)Br PI-22840 [1,0,0,0,0,0|2,1,0]=4 100 B9R1.1 CSC1=CC=C(C=C1)F PI-11986 [1,0,0,0,0,0|1,0,0]=2 101 B9R1.1 CSc1ccc(cc1)O PI-18075 [1,0,0,0,0,0|2,0,0]=3 102 B9R1.1 ClCc1ccc(Cl)nc1 PI-10395 [1,0,0,0,0,0|2,1,0]=4 103 B9R1.1 ClCc1ccc(F)cc1 PI-31364 [1,0,0,0,0,0|1,0,0]=2 104 B9R1.1 N#Cc1ccc(Br)cc1 PI-11462 [1,0,0,0,0,0|0,1,2]=4 105 B9R1.1 N#Cc1ccc(Cl)cc1 PI-11470 [1,0,0,0,0,0|0,1,2]=4 106 B9R1.1 N#Cc1ccc(cc1)F PI-16865 [1,0,0,0,0,0|0,0,2]=3 107 B9R1.1 N#Cc1ccc(cc1)O PI-35246 [1,0,0,0,0,0|1,0,2]=4 108 B9R1.1 NC1=CC=C(SC)C=C1 PI-11963 [1,0,0,0,0,0|2,0,0]=3 109 B9R1.1 NCc1ccc(F)cc1 PI-11985 [1,0,0,0,0,0|0,0,0]=1 110 B9R1.1 NCc1ccc(cc1)Br PI-20544 [1,0,0,0,0,0|0,1,0]=2 111 B9R1.1 NCc1ccc(cc1)Br PI-38542 [1,0,0,0,0,0|0,1,0]=2 112 B9R1.1 NCc1ccc(nc1)Cl PI-39010 [1,0,0,0,0,0|1,1,0]=3 113 B9R1.1 NNc1ccc(C)cc1 PI-13126 [1,0,0,0,0,0|2,0,0]=3 114 B9R1.1 O=CC1=NC=C(F)C=C1 PI-37201 [1,0,0,0,0,0|2,0,1]=4 115 B9R1.1 O=Cc1ccc(Br)cc1 PI-12729 [1,0,0,0,0,0|1,1,1]=4 116 B9R1.1 O=Cc1ccc(cc1)I PI-27209 [1,0,0,0,0,0|1,1,1]=4 117 B9R1.1 O=Cc1ccc(cc1)O PI-37802 [1,0,0,0,0,0|2,0,1]=4 118 B9R1.1 OCc1ccc(Cl)nc1 PI-16749 [1,0,0,0,0,0|2,1,0]=4 119 B9R1.1 OCc1ccc(S)cc1 PI-35674 [1,0,0,0,0,0|2,0,0]=3 120 B9R1.1 OCc1ccc(cc1)Cl PI-11977 [1,0,0,0,0,0|1,1,0]=3 121 B9R1.1 OCc1ccc(cc1)I PI-33685 [1,0,0,0,0,0|1,1,0]=3 122 B9R1.1 OCc1ccc(cc1)O PI-29788 [1,0,0,0,0,0|2,0,0]=3 123 B9R1.1 OCc1ccc(cn1)Br PI-10546 [1,0,0,0,0,0|2,1,0]=4 124 B9R1.1 [C-]#[N+]C1=CC=C(C=C1)Br PI-22497 [1,0,0,0,0,0|1,1,1]=4 125 B9R1.8 BrC#Cc1ccccc1 PI-38808 [1,0,0,0,0,0|1,0,2]=4 126 B9R1.8 C1=CC(=CN=C1)CCO PI-20772 [1,0,0,0,0,0|2,0,0]=3 127 B9R1.8 C1=CC=C(C=C1)C=CBr PI-12915 [1,0,0,0,0,0|1,0,2]=4 128 B9R1.8 C1=CC=C(C=C1)CCS PI-48520 [1,0,0,0,0,0|1,0,0]=2 129 B9R1.8 C1=CC=C(C=C1)CNN PI-12194 [1,0,0,0,0,0|1,0,0]=2 130 B9R1.8 C1=CC=C(C=C1)CNN PI-12195 [1,0,0,0,0,0|1,0,0]=2 131 B9R1.8 C1=CC=C(C=C1)CON PI-48767 [1,0,0,0,0,0|1,0,0]=2 132 B9R1.8 C1=CC=NC(=C1)CCN PI-33890 [1,0,0,0,0,0|1,0,0]=2 133 B9R1.8 C1=CC=[N+](C=C1)CC#N PI-30212 [1,0,0,0,0,0|1,0,2]=4 134 B9R1.8 C1=CN=C(C=N1)CCS PI-48496 [1,0,0,0,0,0|3,0,0]=4 135 B9R1.8 C=CCC1=CC=CC=C1 PI-36465 [1,0,0,0,0,0|1,0,1]=3 136 B9R1.8 CC#CC1=CC=CC=C1 PI-48954 [1,0,0,0,0,0|1,0,2]=4 137 B9R1.8 CCCC1=CC=CC=N1 PI-13326 [1,0,0,0,0,0|2,0,0]=3 138 B9R1.8 CCCC1=CC=NC=C1 PI-28052 [1,0,0,0,0,0|2,0,0]=3 139 B9R1.8 CCC[N+]1=CC=CC=C1 PI-13348 [1,0,0,0,0,0|2,0,0]=3 140 B9R1.8 CCOC1=CC=CC=N1 PI-16377 [1,0,0,0,0,0|3,0,0]=4 141 B9R1.8 CCOC1=CC=NC=C1 PI-16378 [1,0,0,0,0,0|3,0,0]=4 142 B9R1.8 CNCC1=CC=CN=C1 PI-46624 [1,0,0,0,0,0|3,0,0]=4 143 B9R1.8 COCC1=CC=CC=C1 PI-19695 [1,0,0,0,0,0|2,0,0]=3 144 B9R1.8 COCc1ccccn1 PI-38670 [1,0,0,0,0,0|3,0,0]=4 145 B9R1.8 C\C=C\C1=CC=CC=C1 PI-42685 [1,0,0,0,0,0|1,0,2]=4 146 B9R1.8 C\C=C\C1=CC=CC=C1 PI-46536 [1,0,0,0,0,0|1,0,2]=4 147 B9R1.8 N#CCc1ccccn1 PI-16690 [1,0,0,0,0,0|1,0,2]=4 148 B9R1.8 N#CCc1cccnc1 PI-32834 [1,0,0,0,0,0|1,0,2]=4 149 B9R1.8 N#CCc1ccncc1 PI-10376 [1,0,0,0,0,0|1,0,2]=4 150 B9R1.8 NCCc1cccnc1 PI-23439 [1,0,0,0,0,0|1,0,0]=2 151 B9R1.8 NCCc1ccncc1 PI-15907 [1,0,0,0,0,0|1,0,0]=2 152 B9R1.8 NOCc1ccccc1 PI-11329 [1,0,0,0,0,0|1,0,0]=2 153 B9R1.8 OCCC1=CC=NC=C1 PI-27680 [1,0,0,0,0,0|2,0,0]=3 154 B9R1.8 ONCC1=CC=CC=C1 PI-42266 [1,0,0,0,0,0|2,0,0]=3 155 B11R1.1 C#CCOc1ccc(cc1)N PI-38734 [0,1,0,0,0,0|2,0,1]=4 156 B11R1.1 C1=CC(=CC=C1C=CC#N)F PI-23561 [0,1,0,0,0,0|0,0,3]=4 157 B11R1.1 C1=CC(=CC=C1CCC#N)Br PI-22541 [0,1,0,0,0,0|0,1,1]=3 158 B11R1.1 C1=CC(=CC=C1CCC=O)F PI-45774 [0,1,0,0,0,0|1,0,0]=2 159 B11R1.1 C1=CC(=CC=C1CCCO)Cl PI-20215 [0,1,0,0,0,0|1,1,0]=3 160 B11R1.1 C1=CC(=CC=C1CCCO)O PI-46961 [0,1,0,0,0,0|2,0,0]=3 161 B11R1.1 C1=CC(=CC=C1CN=C=S)Cl PI-23618 [0,1,0,0,0,0|1,1,1]=4 162 B11R1.1 C1=CC(=CC=C1CN=C=S)F PI-23493 [0,1,0,0,0,0|1,0,1]=3 163 B11R1.1 C1=CC(=CC=C1F)SCC#N PI-29273 [0,1,0,0,0,0|0,0,2]=3 164 B11R1.1 C1=CC(=CC=C1N)OCCCl PI-47269 [0,1,0,0,0,0|2,0,0]=3 165 B11R1.1 C1=CC(=CC=C1OCCO)Br PI-19473 [0,1,0,0,0,0|1,1,0]=3 166 B11R1.1 C1=CC(=CC=C1OCCO)Cl PI-19256 [0,1,0,0,0,0|1,1,0]=3 167 B11R1.1 C1=CC(=CC=C1SCC#N)Cl PI-30240 [0,1,0,0,0,0|0,1,2]=4 168 B11R1.1 C1=CC(=CC=C1\C=C\C=O)F PI-46524 [0,1,0,0,0,0|1,0,2]=4 169 B11R1.1 C=CCOC1=CC=C(C=C1)Cl PI-30132 [0,1,0,0,0,0|1,1,1]=4 170 B11R1.1 CC1=CC=C(C=C1)CCC=C PI-50176 [0,1,0,0,0,0|2,0,0]=3 171 B11R1.1 CC1=CC=C(C=C1)CN=C=O PI-11439 [0,1,0,0,0,0|2,0,1]=4 172 B11R1.1 CC1=CC=C(C=C1)OCC#N PI-30497 [0,1,0,0,0,0|1,0,2]=4 173 B11R1.1 CCCCC1=CC=C(C=C1)C PI-19171 [0,1,0,0,0,0|2,0,0]=3 174 B11R1.1 CCCCC1=CC=C(C=C1)O PI-11971 [0,1,0,0,0,0|2,0,0]=3 175 B11R1.1 CCCC[N+]1=CC=C(C=C1)C PI-17144 [0,1,0,0,0,0|3,0,0]=4 176 B11R1.1 CCCCc1ccc(Br)cc1 PI-30595 [0,1,0,0,0,0|1,1,0]=3 177 B11R1.1 CCCOC1=CC=C(C=C1)Br PI-30574 [0,1,0,0,0,0|1,1,0]=3 178 B11R1.1 CCCOc1ccc(cc1)O PI-16211 [0,1,0,0,0,0|2,0,0]=3 179 B11R1.1 CCOCC1=CN=C(C=C1)N PI-44053 [0,1,0,0,0,0|3,0,0]=4 180 B11R1.1 CNCCC1=CC=C(C=C1)O PI-43105 [0,1,0,0,0,0|1,0,0]=2 181 B11R1.1 COCCc1ccc(O)cc1 PI-12149 [0,1,0,0,0,0|2,0,0]=3 182 B11R1.1 ClCCOc1ccc(cc1)Cl PI-13022 [0,1,0,0,0,0|1,1,0]=3 183 B11R1.1 N#CCOc1ccc(F)cc1 PI-23816 [0,1,0,0,0,0|0,0,2]=3 184 B11R1.1 N#CCOc1ccc(cc1)Cl PI-30527 [0,1,0,0,0,0|0,1,2]=4 185 B11R1.1 O=C=NCc1ccc(cc1)F PI-19104 [0,1,0,0,0,0|1,0,1]=3 186 B11R1.1 O=C\C=C/c1ccc(F)cc1 PI-32827 [0,1,0,0,0,0|1,0,2]=4 187 B11R1.1 OC1=CC=C(CCC#N)C=C1 PI-11502 [0,1,0,0,0,0|1,0,1]=3 188 B11R1.1 OCC#Cc1ccc(Cl)cc1 PI-20218 [0,1,0,0,0,0|1,1,1]=4 189 B11R1.1 OCCCc1ccc(cc1)Br PI-39007 [0,1,0,0,0,0|1,1,0]=3 190 B11R1.1 [C-]#[N+]CCc1ccc(Br)cc1 PI-22265 [0,1,0,0,0,0|0,1,1]=3 191 B11R1.1 [C-]#[N+]CCc1ccc(F)cc1 PI-23814 [0,1,0,0,0,0|0,0,1]=2 192 B11R1.20 C1=CC(=CC=C1CC(=O)Cl)F PI-28554 [0,1,0,0,0,0|1,0,1]=3 193 B11R1.20 C1=CC(=CC=C1CC(=O)N)O PI-16441 [0,1,0,0,0,0|1,0,1]=3 194 B11R1.20 C1=CC(=CC=C1CC(=O)O)Br PI-12711 [0,1,0,0,0,0|1,1,1]=4 195 B11R1.20 C1=CC(=CC=C1CC(=O)O)Cl PI-32618 [0,1,0,0,0,0|1,1,1]=4 196 B11R1.20 C1=CC(=CC=C1CC(=O)O)N PI-25083 [0,1,0,0,0,0|2,0,1]=4 197 B11R1.20 C1=CC(=CC=C1CC(C)=O)F PI-39618 [0,1,0,0,0,0|1,0,1]=3 198 B11R1.20 C1=CC(=CC=C1N)N=C(N)N PI-47263 [0,1,0,0,0,0|2,0,1]=4 199 B11R1.20 C1=CC(=CC=C1N)OC(F)F PI-21176 [0,1,0,0,0,0|3,0,0]=4 200 B11R1.20 C1=CC(=CC=C1N=C(N)N)I PI-47260 [0,1,0,0,0,0|1,1,1]=4 201 B11R1.20 CC(=O)Cc1ccc(cc1)Br PI-38548 [0,1,0,0,0,0|1,1,1]=4 202 B11R1.20 CC(=O)NC1=CC=C(C=C1)F PI-34152 [0,1,0,0,0,0|2,0,1]=4 203 B11R1.20 CC(=O)OC1=CC=C(C=C1)F PI-16968 [0,1,0,0,0,0|2,0,1]=4 204 B11R1.20 CC(C)CC1=CC=C(C=C1)Br PI-13179 [0,1,0,0,0,0|1,1,0]=3 205 B11R1.20 CC(C)NC1=CC=C(C=C1)F PI-42945 [0,1,0,0,0,0|2,0,0]=3 206 B11R1.20 CC(C)OC1=CC=C(C=C1)N PI-28808 [0,1,0,0,0,0|3,0,0]=4 207 B11R1.20 CC1=CC=C(C=C1)CC(=O)O PI-30795 [0,1,0,0,0,0|2,0,1]=4 208 B11R1.20 CC1=CC=C(C=C1)NC(=O)N PI-24527 [0,1,0,0,0,0|2,0,1]=4 209 B11R1.20 CC1=CC=C(C=C1)NC(=S)N PI-24528 [0,1,0,0,0,0|2,0,1]=4 210 B11R1.20 CC1=CC=C(C=C1)OC(F)F PI-21199 [0,1,0,0,0,0|3,0,0]=4 211 B11R1.20 ClC(=O)Cc1ccc(Br)cc1 PI-22240 [0,1,0,0,0,0|1,1,1]=4 212 B11R1.20 ClC(=O)Cc1ccc(C)cc1 PI-24891 [0,1,0,0,0,0|2,0,1]=4 213 B11R1.20 FC(Oc1ccc(cc1)Br)F PI-21193 [0,1,0,0,0,0|2,1,0]=4 214 B11R1.20 FC(Oc1ccc(cc1)I)F PI-21194 [0,1,0,0,0,0|2,1,0]=4 215 B11R1.20 NC(=S)Nc1ccc(cc1)Br PI-22567 [0,1,0,0,0,0|1,1,1]=4 216 B11R1.20 NC(=S)Nc1ccc(cc1)Cl PI-30541 [0,1,0,0,0,0|1,1,1]=4 217 B11R1.20 NC(=S)Nc1ccc(cc1)O PI-20852 [0,1,0,0,0,0|2,0,1]=4 218 B11R1.20 OC(=O)Cc1ccc(F)cc1 PI-16969 [0,1,0,0,0,0|1,0,1]=3 219 B11R1.20 OC(=O)Cc1ccc(I)cc1 PI-30230 [0,1,0,0,0,0|1,1,1]=4 220 B11R1.20 OC(=O)Cc1ccc(O)cc1 PI-11992 [0,1,0,0,0,0|2,0,1]=4 221 B11R1.20 OC(=O)Cc1ccc(S)cc1 PI-30560 [0,1,0,0,0,0|2,0,1]=4 222 B11R1.22 BrCC(=O)c1ccc(F)cc1 PI-16507 [0,1,0,0,0,0|1,0,1]=3 223 B11R1.22 BrCC(=O)c1ccc(cc1)Cl PI-12174 [0,1,0,0,0,0|1,1,1]=4 224 B11R1.22 C1=CC(=CC=C1C(=NO)N)F PI-23442 [0,1,0,0,0,0|2,0,1]=4 225 B11R1.22 C1=CC(=CC=C1C(=O)C=O)F PI-41037 [0,1,0,0,0,0|1,0,2]=4 226 B11R1.22 C1=CC(=CC=C1C(=O)CBr)O PI-10322 [0,1,0,0,0,0|2,0,1]=4 227 B11R1.22 C1=CC(=CC=C1C(=O)CCl)F PI-28553 [0,1,0,0,0,0|1,0,1]=3 228 B11R1.22 C1=CC(=CC=C1C(=O)CF)Cl PI-30480 [0,1,0,0,0,0|1,1,1]=4 229 B11R1.22 C1=CC(=CC=C1C(=O)CN)Br PI-29690 [0,1,0,0,0,0|0,1,1]=3 230 B11R1.22 C1=CC(=CC=C1C(=O)CN)Cl PI-16147 [0,1,0,0,0,0|0,1,1]=3 231 B11R1.22 C1=CC(=CC=C1C(=O)CN)F PI-10226 [0,1,0,0,0,0|0,0,1]=2 232 B11R1.22 C1=CC(=CC=C1C(=O)CN)O PI-49411 [0,1,0,0,0,0|1,0,1]=3 233 B11R1.22 C1=CC(=CC=C1C(=O)CO)Br PI-30487 [0,1,0,0,0,0|1,1,1]=4 234 B11R1.22 C1=CC(=CC=C1C(=O)CO)Cl PI-30418 [0,1,0,0,0,0|1,1,1]=4 235 B11R1.22 C1=CC(=CC=C1C(=O)CO)F PI-30583 [0,1,0,0,0,0|1,0,1]=3 236 B11R1.22 C1=CC(=CC=C1C(=O)NN)Br PI-20532 [0,1,0,0,0,0|1,1,1]=4 237 B11R1.22 C1=CC(=CC=C1C(=O)NN)F PI-23456 [0,1,0,0,0,0|1,0,1]=3 238 B11R1.22 C1=CC(=CC=C1C(=O)NN)I PI-50270 [0,1,0,0,0,0|1,1,1]=4 239 B11R1.22 C1=CC(=CC=C1C(=O)NN)N PI-50237 [0,1,0,0,0,0|2,0,1]=4 240 B11R1.22 C1=CC(=CC=C1C(=O)NN)O PI-50238 [0,1,0,0,0,0|2,0,1]=4 241 B11R1.22 C1=CC(=CC=C1C(C#N)N)F PI-15928 [0,1,0,0,0,0|0,0,2]=3 242 B11R1.22 C1=CC(=CC=C1[C@@H](CCl)O)F PI-49814 [0,1,0,0,0,0|1,0,0]=2 243 B11R1.22 CC1=CC=C(C=C1)C(=O)CBr PI-27801 [0,1,0,0,0,0|2,0,1]=4 244 B11R1.22 CC1=CC=C(C=C1)C(=O)CN PI-30703 [0,1,0,0,0,0|1,0,1]=3 245 B11R1.22 CC1=CC=C(C=C1)C(=O)NN PI-24359 [0,1,0,0,0,0|2,0,1]=4 246 B11R1.22 CCC(=O)C1=CC=C(C=C1)Br PI-12718 [0,1,0,0,0,0|1,1,1]=4 247 B11R1.22 CCC(=O)C1=CC=C(C=C1)N PI-17560 [0,1,0,0,0,0|2,0,1]=4 248 B11R1.22 CCN(C1=CC=C(C=C1)C)N PI-29774 [0,1,0,0,0,0|3,0,0]=4 249 B11R1.22 NNC(=O)c1ccc(cc1)Cl PI-23138 [0,1,0,0,0,0|1,1,1]=4 250 B11R1.22 O=C(OC)C1=CC=C(F)C=C1 PI-16967 [0,1,0,0,0,0|2,0,1]=4 251 B11R1.81 C1=CC(=C(C=C1Cl)Cl)CC#N PI-32218 [0,1,0,0,0,0|0,1,2]=4 252 B11R1.81 C1=CC(=C(C=C1Cl)Cl)CCN PI-11209 [0,1,0,0,0,0|0,1,0]=2 253 B11R1.81 C1=CC(=C(C=C1Cl)Cl)CCO PI-35237 [0,1,0,0,0,0|1,1,0]=3 254 B11R1.81 C1=CC(=C(C=C1Cl)F)CC#N PI-35241 [0,1,0,0,0,0|0,1,2]=4 255 B11R1.81 C1=CC(=C(C=C1F)Br)N=C=S PI-21481 [0,1,0,0,0,0|2,0,1]=4 256 B11R1.81 C1=CC(=C(C=C1F)Cl)CC#N PI-20106 [0,1,0,0,0,0|0,0,2]=3 257 B11R1.81 C1=CC(=C(C=C1F)Cl)CCO PI-17322 [0,1,0,0,0,0|1,0,0]=2 258 B11R1.81 C1=CC(=C(C=C1F)F)CC#N PI-28729 [0,1,0,0,0,0|0,0,2]=3 259 B11R1.81 CC1=C(C=CC(=C1)F)N=C=S PI-23772 [0,1,0,0,0,0|2,0,1]=4 260 B11R1.81 CC1=CC(=C(C=C1)CCN)C PI-23898 [0,1,0,0,0,0|1,0,0]=2 261 B11R1.81 CCCC1=C(C=C(C=C1)O)O PI-19259 [0,1,0,0,0,0|2,0,0]=3 262 B11R1.81 CCNC1=C(C=C(C=C1)Cl)N PI-20049 [0,1,0,0,0,0|2,1,0]=4 263 B11R1.81 FC1=CC=C(C(F)=C1)\C=N\O PI-28311 [0,1,0,0,0,0|2,0,1]=4 264 B11R1.81 N#CCc1ccc(Br)cc1F PI-35860 [0,1,0,0,0,0|0,1,2]=4 265 B11R1.81 O=C=Nc1ccc(cc1F)F PI-21225 [0,1,0,0,0,0|2,0,1]=4 266 B11R1.83 C1=CC(=CC=C1CCN)C#N PI-48254 [0,1,0,0,0,0|1,0,0]=2 267 B11R1.83 CCCC1=CC=C(C=C1)C#C PI-30797 [0,1,0,0,0,0|2,0,0]=3 268 B11R1.83 CCCC1=CC=C(C=C1)C=O PI-27431 [0,1,0,0,0,0|2,0,0]=3 269 B11R1.83 CCCC1=NC=C(C=C1)C=O PI-44043 [0,1,0,0,0,0|3,0,0]=4 270 B11R1.83 CCOC1=CC=C(C=C1)C#C PI-30939 [0,1,0,0,0,0|3,0,0]=4 271 B11R1.83 CCOC1=CC=C(C=C1)C#N PI-50300 [0,1,0,0,0,0|3,0,0]=4 272 B11R1.83 CCOC1=CC=C(C=C1)C=O PI-50245 [0,1,0,0,0,0|3,0,0]=4 273 B11R1.83 CCSC1=CC=C(C=C1)C=O PI-27942 [0,1,0,0,0,0|3,0,0]=4 274 B11R1.83 COC1=CC=C(C=C1)CC#N PI-31718 [0,1,0,0,0,0|1,0,2]=4 275 B11R1.83 COC1=CC=C(C=C1)CCO PI-35236 [0,1,0,0,0,0|2,0,0]=3 276 B11R1.83 COC1=CC=C(C=C1)CNN PI-50561 [0,1,0,0,0,0|2,0,0]=3 277 B11R1.83 COC1=CC=C(C=C1)CNO PI-44099 [0,1,0,0,0,0|3,0,0]=4 278 B11R1.83 COCc1ccc(cc1)OC PI-35666 [0,1,0,0,0,0|3,0,0]=4 279 B11R1.83 CSC1=CC=C(C=C1)CC#N PI-50651 [0,1,0,0,0,0|1,0,2]=4 280 B11R1.83 NCCc1ccc(OC)cc1 PI-31711 [0,1,0,0,0,0|1,0,0]=2 281 B11R1.192 C1=C(C=CC(=C1Cl)Cl)CC#N PI-11885 [0,1,0,0,0,0|0,1,2]=4 282 B11R1.192 C1=CC(=C(C=C1CC#N)Cl)F PI-44993 [0,1,0,0,0,0|0,0,2]=3 283 B11R1.192 C1=CC(=C(C=C1CC#N)F)F PI-28733 [0,1,0,0,0,0|0,0,2]=3 284 B11R1.192 C1=CC(=C(C=C1CCO)O)O PI-27061 [0,1,0,0,0,0|2,0,0]=3 285 B11R1.192 C1=CC(=C(C=C1N=C=O)Cl)F PI-17456 [0,1,0,0,0,0|2,0,1]=4 286 B11R1.192 C1=CC(=C(C=C1N=C=S)Cl)F PI-20111 [0,1,0,0,0,0|2,0,1]=4 287 B11R1.192 C=CCC1=CC(=C(C=C1)O)O PI-41465 [0,1,0,0,0,0|2,0,1]=4 288 B11R1.192 C=CCc1ccc(F)c(C)c1 PI-23775 [0,1,0,0,0,0|1,0,1]=3 289 B11R1.192 CC1=C(C=CC(=C1)N=C=S)F PI-23773 [0,1,0,0,0,0|2,0,1]=4 290 B11R1.192 CCOC1=CC(=C(C=C1)N)N PI-13551 [0,1,0,0,0,0|3,0,0]=4 291 B11R1.192 N#CCc1ccc(C)c(F)c1 PI-23763 [0,1,0,0,0,0|1,0,2]=4 292 B11R1.192 NCCc1ccc(c(c1)C)C PI-23900 [0,1,0,0,0,0|1,0,0]=2 293 B11R1.192 S=C=Nc1ccc(F)c(Br)c1 PI-21483 [0,1,0,0,0,0|2,0,1]=4 294 B11R2.34 BrC1=CC=C(C=C1)C2CC2 PI-40963 [0,0,0,1,0,0|1,1,0]=3 295 B11R2.34 Clc1ccc(cc1)[C@@H]2OC2 PI-36332 [0,0,0,1,0,0|1,1,0]=3 296 B11R2.36 Brc1ccc2c(c1)CCN2 PI-11096 [0,0,0,1,0,0|2,1,0]=4 297 B11R2.36 Brc1ccc2c(c1)[nH]cc2 PI-10006 [0,0,0,1,0,0|0,1,2]=4 298 B11R2.36 Brc1cnc2c(c1)CCC2 PI-39405 [0,0,0,1,0,0|2,1,0]=4 299 B11R2.36 C1=CC(=CC2=C1C=CN2)F PI-10018 [0,0,0,1,0,0|0,0,2]=3 300 B11R2.36 C1=CC(=CC2=C1C=CN2)N PI-16826 [0,0,0,1,0,0|1,0,2]=4 301 B11R2.36 C1=CC2=C(C=C1Br)NC=N2 PI-44962 [0,0,0,1,0,0|1,1,1]=4 302 B11R2.36 C1=CC2=C(C=C1Br)NN=C2 PI-33950 [0,0,0,1,0,0|1,1,1]=4 303 B11R2.36 C1=CC2=C(C=C1Cl)NN=C2 PI-34962 [0,0,0,1,0,0|1,1,1]=4 304 B11R2.36 C1=CC2=C(C=C1F)C=NN2 PI-34939 [0,0,0,1,0,0|3,0,0]=4 305 B11R2.36 C1=CC2=C(C=C1F)N=CS2 PI-45368 [0,0,0,1,0,0|1,0,2]=4 306 B11R2.36 C1=CC2=C(C=C1F)NC=N2 PI-45215 [0,0,0,1,0,0|1,0,1]=3 307 B11R2.36 C1=CC2=C(C=C1F)NN=C2 PI-34959 [0,0,0,1,0,0|1,0,1]=3 308 B11R2.36 C1=CC2=C(C=C1F)SC=N2 PI-45369 [0,0,0,1,0,0|2,0,1]=4 309 B11R2.36 C1=CC2=C(C=C1N)NC=N2 PI-34794 [0,0,0,1,0,0|2,0,1]=4 310 B11R2.36 C1=CC2=C(C=C1N)NC=N2 PI-45761 [0,0,0,1,0,0|2,0,1]=4 311 B11R2.36 C1=CC2=C(C=C1O)NN=C2 PI-45210 [0,0,0,1,0,0|2,0,1]=4 312 B11R2.36 C1=CC2=C(C=CN2)C=C1F PI-10017 [0,0,0,1,0,0|2,0,1]=4 313 B11R2.36 C1CC2=C(C1)C=C(C=C2)N PI-17685 [0,0,0,1,0,0|2,0,0]=3 314 B11R2.36 C1CNC2=C1C=C(C=C2)Cl PI-11098 [0,0,0,1,0,0|2,1,0]=4 315 B11R2.36 C1CNC2=C1C=C(C=C2)O PI-36194 [0,0,0,1,0,0|3,0,0]=4 316 B11R2.36 C1CNC2=C1C=CC(=C2)Br PI-36067 [0,0,0,1,0,0|0,1,0]=2 317 B11R2.36 C1COC2=C1C=C(C=C2)Br PI-21650 [0,0,0,1,0,0|2,1,0]=4 318 B11R2.36 C1OC2=C(O1)C=C(C=C2)Cl PI-30880 [0,0,0,1,0,0|2,1,0]=4 319 B11R2.36 C1OC2=C(O1)C=C(C=C2)N PI-12185 [0,0,0,1,0,0|3,0,0]=4 320 B11R2.36 CC1=CC2=C(C=C1)N=CN2 PI-29770 [0,0,0,1,0,0|2,0,1]=4 321 B11R2.36 Cc1ccc2c(c1)[nH]cc2 PI-16265 [0,0,0,1,0,0|1,0,2]=4 322 B11R2.36 ClC1=CC2=C(C=C1)C=CN2 PI-20431 [0,0,0,1,0,0|0,1,2]=4 323 B11R2.36 Clc1ccc2CCNc2c1 PI-36115 [0,0,0,1,0,0|0,1,0]=2 324 B11R2.36 Fc1ccc2c(c1)nsn2 PI-23462 [0,0,0,1,0,0|2,0,1]=4 325 B11R2.36 Ic1ccc2c(c1)[nH]nc2 PI-34958 [0,0,0,1,0,0|1,1,1]=4 326 B11R2.36 Nc1ccc2c(c1)[nH]nc2 PI-34961 [0,0,0,1,0,0|2,0,1]=4 327 B11R2.36 Oc1ccc2c(c1)OCO2 PI-15354 [0,0,0,1,0,0|3,0,0]=4 328 B11R2.36 Oc1ccc2cc[nH]c2c1 PI-16028 [0,0,0,1,0,0|1,0,2]=4 329 B11R2.36 Oc1ccc2nc[nH]c2c1 PI-36411 [0,0,0,1,0,0|2,0,1]=4 330 B11R2.36 SC1=CC=C2OCOC2=C1 PI-42647 [0,0,0,1,0,0|3,0,0]=4 331 B8R1.2 BrCC1=CC=CC=C1 PI-36476 [2,0,0,0,0,0|1,0,0]=3 332 B8R1.2 C#CC1=CC=CC=C1 PI-48958 [2,0,0,0,0,0|0,0,2]=4 333 B8R1.2 C1=C(N=CC=N1)CN PI-42651 [2,0,0,0,0,0|2,0,0]=4 334 B8R1.2 C1=CC(=CN=C1)CCl PI-16717 [2,0,0,0,0,0|2,0,0]=4 335 B8R1.2 C1=CC(=CN=C1)NN PI-39291 [2,0,0,0,0,0|2,0,0]=4 336 B8R1.2 C1=CC=NC(=C1)NN PI-46991 [2,0,0,0,0,0|2,0,0]=4 337 B8R1.2 C1=CC=NC(=C1)NN PI-50652 [2,0,0,0,0,0|2,0,0]=4 338 B8R1.2 C1=CN=CC=C1CCl PI-31734 [2,0,0,0,0,0|2,0,0]=4 339 B8R1.2 C1=CN=CC=C1CO PI-16744 [2,0,0,0,0,0|2,0,0]=4 340 B8R1.2 CCC1=CC=CC=N1 PI-49466 [2,0,0,0,0,0|1,0,0]=3 341 B8R1.2 CCC1=NC=CN=C1 PI-11040 [2,0,0,0,0,0|2,0,0]=4 342 B8R1.2 CC[N+]1=CC=CC=C1 PI-13342 [2,0,0,0,0,0|1,0,0]=3 343 B8R1.2 CC[N+]1=CC=CC=C1 PI-13347 [2,0,0,0,0,0|1,0,0]=3 344 B8R1.2 CNC1=CC=CC=N1 PI-11864 [2,0,0,0,0,0|2,0,0]=4 345 B8R1.2 CNC1=CC=NC=C1 PI-23603 [2,0,0,0,0,0|2,0,0]=4 346 B8R1.2 CNC1=CN=CC=C1 PI-11328 [2,0,0,0,0,0|2,0,0]=4 347 B8R1.2 COC1=CC=CC=N1 PI-33887 [2,0,0,0,0,0|2,0,0]=4 348 B8R1.2 COC1=CC=NC=C1 PI-10034 [2,0,0,0,0,0|2,0,0]=4 349 B8R1.2 COC1=CN=CC=C1 PI-33889 [2,0,0,0,0,0|2,0,0]=4 350 B8R1.2 CSC1=CC=CC=N1 PI-16757 [2,0,0,0,0,0|2,0,0]=4 351 B8R1.2 ClCC1=NC=CC=C1 PI-11827 [2,0,0,0,0,0|2,0,0]=4 352 B8R1.2 ClCc1ccccn1 PI-16716 [2,0,0,0,0,0|2,0,0]=4 353 B8R1.2 NCC1=CC=CC=C1 PI-37209 [2,0,0,0,0,0|0,0,0]=2 354 B8R1.2 NCC1=CC=NC=C1 PI-41875 [2,0,0,0,0,0|1,0,0]=3 355 B8R1.2 NCc1ccccn1 PI-33905 [2,0,0,0,0,0|1,0,0]=3 356 B8R1.2 NCc1cccnc1 PI-15236 [2,0,0,0,0,0|1,0,0]=3 357 B8R1.2 NCc1ccncc1 PI-31790 [2,0,0,0,0,0|1,0,0]=3 358 B8R1.2 NCc1ncccn1 PI-34855 [2,0,0,0,0,0|2,0,0]=4 359 B8R1.2 NCc1ncccn1 PI-34856 [2,0,0,0,0,0|2,0,0]=4 360 B8R1.2 NNC1=CC=CC=C1 PI-41551 [2,0,0,0,0,0|1,0,0]=3 361 B8R1.2 OCC1=CC=CN=C1 PI-11019 [2,0,0,0,0,0|2,0,0]=4 362 B8R1.2 OCC1=NC=CC=C1 PI-16261 [2,0,0,0,0,0|2,0,0]=4 363 B8R1.2 OCc1ccncc1 PI-16686 [2,0,0,0,0,0|2,0,0]=4 364 B8R1.2 ONc1ccccc1 PI-38448 [2,0,0,0,0,0|2,0,0]=4 365 B8R1.2 [C-]#CC1=CC=CC=C1 PI-48435 [2,0,0,0,0,0|0,0,2]=4 366 B8R1.3 Brc1ccc(C)cn1 PI-10149 [2,0,0,0,0,0|1,1,0]=4 367 B8R1.3 Brc1ccc(I)cc1 PI-21525 [2,0,0,0,0,0|1,1,0]=4 368 B8R1.3 Brc1ccc(cn1)F PI-23448 [2,0,0,0,0,0|2,0,0]=4 369 B8R1.3 Brc1ccc(cn1)N PI-31056 [2,0,0,0,0,0|1,1,0]=4 370 B8R1.3 C1=C(C=NC(=N1)N)F PI-43297 [2,0,0,0,0,0|2,0,0]=4 371 B8R1.3 C1=CC(=CC=C1Cl)Br PI-48678 [2,0,0,0,0,0|1,1,0]=4 372 B8R1.3 C1=CC(=CC=C1Cl)I PI-20137 [2,0,0,0,0,0|1,1,0]=4 373 B8R1.3 C1=CC(=CC=C1F)S PI-17595 [2,0,0,0,0,0|1,0,0]=3 374 B8R1.3 C1=CC(=CC=C1F)[S-] PI-28110 [2,0,0,0,0,0|1,0,0]=3 375 B8R1.3 C1=CC(=CC=C1N)S PI-14246 [2,0,0,0,0,0|1,0,0]=3 376 B8R1.3 C1=CC(=CC=C1S)Br PI-21352 [2,0,0,0,0,0|1,1,0]=4 377 B8R1.3 C1=CC(=NC=C1Br)F PI-23450 [2,0,0,0,0,0|2,0,0]=4 378 B8R1.3 C1=CC(=NC=C1Cl)F PI-16762 [2,0,0,0,0,0|2,0,0]=4 379 B8R1.3 C1=CC(=NC=C1F)Cl PI-10085 [2,0,0,0,0,0|2,0,0]=4 380 B8R1.3 C1=CC(=NC=C1F)N PI-23434 [2,0,0,0,0,0|1,0,0]=3 381 B8R1.3 C1=CC(=NC=C1I)F PI-16769 [2,0,0,0,0,0|2,0,0]=4 382 B8R1.3 C1=CC(=NC=C1N)N PI-33879 [2,0,0,0,0,0|2,0,0]=4 383 B8R1.3 C1=CC(=NC=C1O)N PI-34189 [2,0,0,0,0,0|2,0,0]=4 384 B8R1.3 CC1=CN=C(C=C1)F PI-34372 [2,0,0,0,0,0|1,0,0]=3 385 B8R1.3 CC1=CNC(=O)C=C1 PI-15774 [2,0,0,0,0,0|2,0,0]=4 386 B8R1.3 CC1=NC=C(C=C1)F PI-16773 [2,0,0,0,0,0|1,0,0]=3 387 B8R1.3 CC1=NC=C(C=C1)O PI-11928 [2,0,0,0,0,0|2,0,0]=4 388 B8R1.3 CC1=NC=C(C=N1)F PI-45025 [2,0,0,0,0,0|2,0,0]=4 389 B8R1.3 Cc1ccc(Cl)cn1 PI-36942 [2,0,0,0,0,0|1,1,0]=4 390 B8R1.3 Cc1ccc(F)cc1 PI-34120 [2,0,0,0,0,0|0,0,0]=2 391 B8R1.3 Cc1ccc(I)cc1 PI-13709 [2,0,0,0,0,0|0,1,0]=3 392 B8R1.3 Cc1ccc(cn1)Br PI-23479 [2,0,0,0,0,0|1,1,0]=4 393 B8R1.3 Cc1ccc(cn1)N PI-13104 [2,0,0,0,0,0|2,0,0]=4 394 B8R1.3 Clc1ccc(cn1)C PI-16696 [2,0,0,0,0,0|1,1,0]=4 395 B8R1.3 Clc1ccc(cn1)N PI-10026 [2,0,0,0,0,0|1,1,0]=4 396 B8R1.3 FC1=CC=C(Br)C=C1 PI-33066 [2,0,0,0,0,0|1,0,0]=3 397 B8R1.3 FC1=NC=C(C=C1)O PI-40204 [2,0,0,0,0,0|2,0,0]=4 398 B8R1.3 Fc1ccc(I)cc1 PI-15769 [2,0,0,0,0,0|1,0,0]=3 399 B8R1.3 Fc1ccc(N)cn1 PI-10292 [2,0,0,0,0,0|1,0,0]=3 400 B8R1.3 Fc1ccc(cc1)F PI-11683 [2,0,0,0,0,0|1,0,0]=3 401 B8R1.3 Fc1ccc(cn1)F PI-35922 [2,0,0,0,0,0|2,0,0]=4 402 B8R1.3 Ic1ccc(cc1)I PI-10976 [2,0,0,0,0,0|1,1,0]=4 403 B8R1.3 NC1=CN=C(N)C=C1 PI-16689 [2,0,0,0,0,0|2,0,0]=4 404 B8R1.3 Nc1ccc(O)cc1 PI-34110 [2,0,0,0,0,0|1,0,0]=3 405 B8R1.3 Nc1ccc(cc1)F PI-33065 [2,0,0,0,0,0|0,0,0]=2 406 B8R1.3 Nc1ccc(cc1)I PI-25653 [2,0,0,0,0,0|0,1,0]=3 407 B8R1.3 Nc1ccc(cn1)Br PI-22846 [2,0,0,0,0,0|1,1,0]=4 408 B8R1.3 Nc1ccc(cn1)C PI-25208 [2,0,0,0,0,0|2,0,0]=4 409 B8R1.3 Nc1ccc(cn1)Cl PI-31015 [2,0,0,0,0,0|1,1,0]=4 410 B8R1.3 Nc1ccc(cn1)I PI-10252 [2,0,0,0,0,0|1,1,0]=4 411 B8R1.3 OC1=NC=C(N)C=C1 PI-37317 [2,0,0,0,0,0|2,0,0]=4 412 B8R1.3 Oc1ccc(Br)cc1 PI-22230 [2,0,0,0,0,0|1,1,0]=4 413 B8R1.3 Oc1ccc(I)cc1 PI-10956 [2,0,0,0,0,0|1,1,0]=4 414 B8R1.3 Oc1ccc(cc1)F PI-27532 [2,0,0,0,0,0|1,0,0]=3 415 B8R1.3 Oc1ccc(cc1)S PI-21361 [2,0,0,0,0,0|2,0,0]=4 416 B8R1.3 Oc1ccc(cn1)C PI-37410 [2,0,0,0,0,0|2,0,0]=4 417 B8R1.3 Oc1ccc(cn1)F PI-34437 [2,0,0,0,0,0|2,0,0]=4 418 B8R1.3 Oc1ccc(cn1)N PI-28402 [2,0,0,0,0,0|2,0,0]=4 419 B8R1.3 [O-][n+]1ccc(cc1)C PI-33172 [2,0,0,0,0,0|2,0,0]=4 420 B10R1.3 BrCc1ccc(cc1)CBr PI-32199 [1,1,0,0,0,0|1,1,0]=4 421 B10R1.3 C1=CC(=CC=C1C#N)NN PI-29432 [1,1,0,0,0,0|2,0,0]=4 422 B10R1.3 C1=CC(=CC=C1CBr)C#N PI-31089 [1,1,0,0,0,0|2,0,0]=4 423 B10R1.3 C1=CC(=CC=C1CBr)C=O PI-26695 [1,1,0,0,0,0|2,0,0]=4 424 B10R1.3 C1=CC(=CC=C1CCl)C#N PI-31324 [1,1,0,0,0,0|2,0,0]=4 425 B10R1.3 C1=CC(=CC=C1CCl)C=O PI-46952 [1,1,0,0,0,0|2,0,0]=4 426 B10R1.3 C1=CC(=CC=C1CN)CN PI-19696 [1,1,0,0,0,0|1,0,0]=3 427 B10R1.3 C1=CC(=CC=C1CO)C=O PI-48330 [1,1,0,0,0,0|2,0,0]=4 428 B10R1.3 C1=CC(=CC=C1CS)CS PI-17107 [1,1,0,0,0,0|2,0,0]=4 429 B10R1.3 CCC1=CC=C(C=C1)C#C PI-30582 [1,1,0,0,0,0|1,0,0]=3 430 B10R1.3 CCC1=CC=C(C=C1)NN PI-50515 [1,1,0,0,0,0|1,0,0]=3 431 B10R1.3 CCc1ccc(C=O)cc1 PI-36758 [1,1,0,0,0,0|1,0,0]=3 432 B10R1.3 CNC1=CC=C(C=C1)C#N PI-35883 [1,1,0,0,0,0|2,0,0]=4 433 B10R1.3 COC1=CC=C(C=C1)C#N PI-11998 [1,1,0,0,0,0|2,0,0]=4 434 B10R1.3 COC1=CC=C(C=C1)CS PI-45776 [1,1,0,0,0,0|2,0,0]=4 435 B10R1.3 COC1=CC=C(CC)C=C1 PI-12098 [1,1,0,0,0,0|1,0,0]=3 436 B10R1.3 COc1ccc(cc1)C#C PI-30919 [1,1,0,0,0,0|2,0,0]=4 437 B10R1.3 COc1ccc(cc1)C=C PI-34180 [1,1,0,0,0,0|2,0,0]=4 438 B10R1.3 COc1ccc(cc1)SC PI-12000 [1,1,0,0,0,0|2,0,0]=4 439 B10R1.3 CSC1=CC=C(C=C1)CO PI-30503 [1,1,0,0,0,0|2,0,0]=4 440 B10R1.3 CSC1=CC=C(C=C1)NN PI-29509 [1,1,0,0,0,0|2,0,0]=4 441 B10R1.3 CSc1ccc(cc1)C=O PI-27503 [1,1,0,0,0,0|2,0,0]=4 442 B10R1.3 ClCc1ccc(OC)cc1 PI-11999 [1,1,0,0,0,0|1,1,0]=4 443 B10R1.3 NCc1ccc(OC)cc1 PI-10970 [1,1,0,0,0,0|1,0,0]=3 444 B10R1.3 NCc1ccc(cc1)C#N PI-24033 [1,1,0,0,0,0|1,0,0]=3 445 B10R1.3 NNc1ccc(cc1)OC PI-25299 [1,1,0,0,0,0|2,0,0]=4 446 B10R1.3 OCc1ccc(CBr)cc1 PI-22138 [1,1,0,0,0,0|1,1,0]=4 447 B10R1.3 OCc1ccc(cc1)CO PI-30750 [1,1,0,0,0,0|2,0,0]=4 448 B10R1.13 C1=C(C(=N)N)C=CC(=C1)F PI-38824 [1,1,0,0,0,0|0,0,1]=3 449 B10R1.13 C1=CC(=CC=C1C(=N)N)Cl PI-23130 [1,1,0,0,0,0|0,1,1]=4 450 B10R1.13 C1=CC(=CC=C1C(=N)N)Cl PI-36543 [1,1,0,0,0,0|0,1,1]=4 451 B10R1.13 C1=CC(=CC=C1C(=N)N)N PI-10167 [1,1,0,0,0,0|1,0,1]=4 452 B10R1.13 C1=CC(=CC=C1C(=N)N)N PI-30927 [1,1,0,0,0,0|1,0,1]=4 453 B10R1.13 C1=CC(=CC=C1C(=O)Cl)F PI-11984 [1,1,0,0,0,0|1,0,1]=4 454 B10R1.13 C1=CC(=CC=C1C(=O)N)Cl PI-30790 [1,1,0,0,0,0|0,1,1]=4 455 B10R1.13 C1=CC(=CC=C1C(=O)N)O PI-20729 [1,1,0,0,0,0|1,0,1]=4 456 B10R1.13 C1=CC(=CC=C1C(=O)[O-])F PI-28585 [1,1,0,0,0,0|1,0,1]=4 457 B10R1.13 C1=CC(=CC=C1C(=S)N)Br PI-22614 [1,1,0,0,0,0|0,1,1]=4 458 B10R1.13 C1=CC(=CC=C1C(Cl)Cl)F PI-19632 [1,1,0,0,0,0|1,0,0]=3 459 B10R1.13 C1=CC(=CC=C1C(F)F)Br PI-21636 [1,1,0,0,0,0|1,1,0]=4 460 B10R1.13 C1=CC(=CC=C1C(N)=O)F PI-28843 [1,1,0,0,0,0|0,0,1]=3 461 B10R1.13 C1=CC(=CC=C1F)S(=O)[O-] PI-23445 [1,1,0,0,0,0|2,0,0]=4 462 B10R1.13 CC(=O)C1=CC=C(C=C1)Br PI-44871 [1,1,0,0,0,0|0,1,1]=4 463 B10R1.13 CC(=O)C1=CC=C(C=C1)N PI-29588 [1,1,0,0,0,0|1,0,1]=4 464 B10R1.13 CC(=O)c1ccc(cc1)I PI-29117 [1,1,0,0,0,0|0,1,1]=4 465 B10R1.13 CC(C)C1=CC=C(C=C1)Br PI-32313 [1,1,0,0,0,0|0,1,0]=3 466 B10R1.13 CC(C)C1=CC=C(C=C1)N PI-50230 [1,1,0,0,0,0|1,0,0]=3 467 B10R1.13 CC(C)C1=CC=C(C=C1)S PI-21362 [1,1,0,0,0,0|1,0,0]=3 468 B10R1.13 CC(C1=CC=C(C=C1)Br)N PI-19358 [1,1,0,0,0,0|0,1,0]=3 469 B10R1.13 CC(C1=CC=C(C=C1)Br)O PI-32579 [1,1,0,0,0,0|0,1,0]=3 470 B10R1.13 CC(C1=CC=C(C=C1)Cl)N PI-47032 [1,1,0,0,0,0|0,1,0]=3 471 B10R1.13 CC(C1=CC=C(C=C1)N)O PI-11962 [1,1,0,0,0,0|1,0,0]=3 472 B10R1.13 CC(C1=CC=C(O)C=C1)=O PI-37424 [1,1,0,0,0,0|1,0,1]=4 473 B10R1.13 CC(N)C1=NC=C(F)C=C1 PI-41878 [1,1,0,0,0,0|1,0,0]=3 474 B10R1.13 CC(c1ccc(cc1)Cl)O PI-11234 [1,1,0,0,0,0|0,1,0]=3 475 B10R1.13 CC1=CC=C(C=C1)C(=N)N PI-29803 [1,1,0,0,0,0|1,0,1]=4 476 B10R1.13 CC1=CC=C(C=C1)C(=O)C PI-32267 [1,1,0,0,0,0|1,0,1]=4 477 B10R1.13 CC1=CC=C(C=C1)C(=S)N PI-30352 [1,1,0,0,0,0|1,0,1]=4 478 B10R1.13 CC1=CC=C(C=C1)C(C)O PI-32578 [1,1,0,0,0,0|1,0,0]=3 479 B10R1.13 CC1=CC=C(C=C1)[C@@H](C)O PI-49806 [1,1,0,0,0,0|1,0,0]=3 480 B10R1.13 CC1=CC=C(C=C1)[C@H](C)O PI-49807 [1,1,0,0,0,0|1,0,0]=3 481 B10R1.13 CN(C)C1=CC=C(C=C1)N PI-29738 [1,1,0,0,0,0|2,0,0]=4 482 B10R1.13 CN(C)C1=CC=C(C=C1)S PI-23412 [1,1,0,0,0,0|2,0,0]=4 483 B10R1.13 CN(c1ccc(cc1)Br)C PI-32601 [1,1,0,0,0,0|1,1,0]=4 484 B10R1.13 C[C@@H](O)C1=CC=C(Br)C=C1 PI-37362 [1,1,0,0,0,0|0,1,0]=3 485 B10R1.13 C[C@@H](c1ccc(cc1)Br)N PI-16658 [1,1,0,0,0,0|0,1,0]=3 486 B10R1.13 C[C@@H](c1ccc(cc1)Cl)O PI-36982 [1,1,0,0,0,0|0,1,0]=3 487 B10R1.13 C[C@@H](c1ccc(cc1)F)N PI-43974 [1,1,0,0,0,0|0,0,0]=2 488 B10R1.13 C[C@H](C1=CC=C(C=C1)O)O PI-49819 [1,1,0,0,0,0|1,0,0]=3 489 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 PI-41877 [1,1,0,0,0,0|1,0,0]=3 490 B10R1.13 C[C@H](c1ccc(cc1)Cl)O PI-36954 [1,1,0,0,0,0|0,1,0]=3 491 B10R1.13 Cc1ccc(cc1)C(C)C PI-39397 [1,1,0,0,0,0|1,0,0]=3 492 B10R1.13 Fc1ccc(cc1)B(O)O PI-31092 [1,1,0,0,0,0|2,0,0]=4 493 B10R1.13 Fc1ccc(cc1)C(=O)O PI-16490 [1,1,0,0,0,0|1,0,1]=4 494 B10R1.13 Fc1ccc(cc1)C(C)O PI-32580 [1,1,0,0,0,0|0,0,0]=2 495 B10R1.13 Fc1ccc(cc1)[N+](=O)[O-] PI-33135 [1,1,0,0,0,0|2,0,0]=4 496 B10R1.13 NC(=N)c1ccc(cc1)Cl PI-30146 [1,1,0,0,0,0|0,1,1]=4 497 B10R1.13 NC(=O)c1ccc(cc1)Br PI-30860 [1,1,0,0,0,0|0,1,1]=4 498 B10R1.13 NC(=S)c1ccc(cc1)Cl PI-30378 [1,1,0,0,0,0|0,1,1]=4 499 B10R1.13 NC(=S)c1ccc(cc1)O PI-20877 [1,1,0,0,0,0|1,0,1]=4 500 B10R1.13 Nc1ccc(cc1)C(=O)N PI-38043 [1,1,0,0,0,0|1,0,1]=4 501 B10R1.13 Nc1ccc(cc1)N(C)C PI-29785 [1,1,0,0,0,0|2,0,0]=4 502 B10R1.13 Nc1ccc(cc1)N(C)C PI-30690 [1,1,0,0,0,0|2,0,0]=4 503 B10R1.13 Nc1ccc(nc1)C(C)C PI-38600 [1,1,0,0,0,0|2,0,0]=4 504 B10R1.13 O=C(N)C1=CC=C(I)C=C1 PI-41985 [1,1,0,0,0,0|0,1,1]=4 505 B10R1.13 O=[S@@](C1=CC=C(C)C=C1)N PI-41430 [1,1,0,0,0,0|2,0,0]=4 506 B10R1.13 O=[S@](C1=CC=C(C)C=C1)N PI-41427 [1,1,0,0,0,0|2,0,0]=4 507 B10R1.13 Oc1ccc(cc1)C(=N)N PI-20730 [1,1,0,0,0,0|1,0,1]=4 508 B10R1.25 BrCc1ccc(cc1F)F PI-28304 [1,1,0,0,0,0|1,0,0]=3 509 B10R1.25 C1=CC(=C(C=C1Br)F)CBr PI-11844 [1,1,0,0,0,0|1,1,0]=4 510 B10R1.25 C1=CC(=C(C=C1Br)F)CN PI-14436 [1,1,0,0,0,0|0,1,0]=3 511 B10R1.25 C1=CC(=C(C=C1Br)F)CN PI-31021 [1,1,0,0,0,0|0,1,0]=3 512 B10R1.25 C1=CC(=C(C=C1Br)F)CO PI-14434 [1,1,0,0,0,0|1,1,0]=4 513 B10R1.25 C1=CC(=C(C=C1Cl)Cl)CCl PI-33404 [1,1,0,0,0,0|1,1,0]=4 514 B10R1.25 C1=CC(=C(C=C1Cl)Cl)NN PI-11745 [1,1,0,0,0,0|1,1,0]=4 515 B10R1.25 C1=CC(=C(C=C1Cl)Cl)NN PI-34158 [1,1,0,0,0,0|1,1,0]=4 516 B10R1.25 C1=CC(=C(C=C1Cl)F)CO PI-40484 [1,1,0,0,0,0|1,1,0]=4 517 B10R1.25 C1=CC(=C(C=C1Cl)F)NN PI-50547 [1,1,0,0,0,0|1,1,0]=4 518 B10R1.25 C1=CC(=C(C=C1F)Br)C#N PI-16379 [1,1,0,0,0,0|0,0,2]=4 519 B10R1.25 C1=CC(=C(C=C1F)Br)C=O PI-10440 [1,1,0,0,0,0|1,0,1]=4 520 B10R1.25 C1=CC(=C(C=C1F)Br)CBr PI-28684 [1,1,0,0,0,0|1,0,0]=3 521 B10R1.25 C1=CC(=C(C=C1F)Cl)C#N PI-28676 [1,1,0,0,0,0|0,0,2]=4 522 B10R1.25 C1=CC(=C(C=C1F)Cl)C=O PI-28857 [1,1,0,0,0,0|1,0,1]=4 523 B10R1.25 C1=CC(=C(C=C1F)Cl)CBr PI-20076 [1,1,0,0,0,0|1,0,0]=3 524 B10R1.25 C1=CC(=C(C=C1F)Cl)CN PI-20071 [1,1,0,0,0,0|0,0,0]=2 525 B10R1.25 C1=CC(=C(C=C1F)Cl)NN PI-50545 [1,1,0,0,0,0|1,0,0]=3 526 B10R1.25 C1=CC(=C(C=C1F)F)NN PI-31217 [1,1,0,0,0,0|1,0,0]=3 527 B10R1.25 C1=CC(=C(C=C1F)I)CBr PI-33648 [1,1,0,0,0,0|1,0,0]=3 528 B10R1.25 C1=CC(=C(C=C1F)N)C=O PI-44252 [1,1,0,0,0,0|1,0,1]=4 529 B10R1.25 C1=CC(=C(C=C1F)O)C=O PI-18485 [1,1,0,0,0,0|1,0,1]=4 530 B10R1.25 C1=CC(=C(C=C1O)O)CO PI-11751 [1,1,0,0,0,0|2,0,0]=4 531 B10R1.25 CC1=C(C=CC(=C1)Br)OC PI-21586 [1,1,0,0,0,0|1,1,0]=4 532 B10R1.25 CC1=C(C=CC(=C1)Cl)NN PI-29295 [1,1,0,0,0,0|1,1,0]=4 533 B10R1.25 CC1=C(C=CC(=C1)Cl)OC PI-19447 [1,1,0,0,0,0|1,1,0]=4 534 B10R1.25 CC1=C(C=CC(=C1)F)C#N PI-10521 [1,1,0,0,0,0|0,0,2]=4 535 B10R1.25 CC1=C(C=CC(=C1)F)C=O PI-10459 [1,1,0,0,0,0|1,0,1]=4 536 B10R1.25 CC1=CC(=C(C=C1)CCl)C PI-23825 [1,1,0,0,0,0|2,0,0]=4 537 B10R1.25 CC1=CC(=C(C=C1)CO)N PI-26925 [1,1,0,0,0,0|2,0,0]=4 538 B10R1.25 CC1=CC(=C(C=C1)NN)C PI-29747 [1,1,0,0,0,0|2,0,0]=4 539 B10R1.25 CC1=CC(=C(C=C1)NN)Cl PI-20171 [1,1,0,0,0,0|2,0,0]=4 540 B10R1.25 CC1=CC(=C(C=C1)OC)Cl PI-19323 [1,1,0,0,0,0|2,0,0]=4 541 B10R1.25 CC1=CC(=C(C=C1)OC)F PI-23730 [1,1,0,0,0,0|2,0,0]=4 542 B10R1.25 CC1=CC(=C(C=C1)OC)I PI-19656 [1,1,0,0,0,0|2,0,0]=4 543 B10R1.25 CC1=CC(I)=CC=C1OC PI-19887 [1,1,0,0,0,0|1,1,0]=4 544 B10R1.25 CC1=CC=C(OC)C(Br)=C1 PI-16425 [1,1,0,0,0,0|2,0,0]=4 545 B10R1.25 CCC1=C(C=C(C=C1)O)O PI-27436 [1,1,0,0,0,0|1,0,0]=3 546 B10R1.25 CCC1=C(N=C(C=C1)C)N PI-30602 [1,1,0,0,0,0|2,0,0]=4 547 B10R1.25 CNC1=CC=C(F)C=C1F PI-21200 [1,1,0,0,0,0|1,0,0]=3 548 B10R1.25 COC1=C(C=C(C=C1)Cl)F PI-33133 [1,1,0,0,0,0|1,1,0]=4 549 B10R1.25 COC1=C(C=C(C=C1)F)Cl PI-20055 [1,1,0,0,0,0|1,0,0]=3 550 B10R1.25 COC1=C(C=C(C=C1)F)F PI-16982 [1,1,0,0,0,0|1,0,0]=3 551 B10R1.25 COC1=C(C=C(C=C1)F)F PI-34388 [1,1,0,0,0,0|1,0,0]=3 552 B10R1.25 COC1=C(C=C(C=C1)F)N PI-34515 [1,1,0,0,0,0|1,0,0]=3 553 B10R1.25 COC1=C(C=C(C=C1)F)O PI-34264 [1,1,0,0,0,0|1,0,0]=3 554 B10R1.25 COC1=C(C=C(C=C1)N)N PI-17225 [1,1,0,0,0,0|2,0,0]=4 555 B10R1.25 COC1=C(O)C=C(N)C=C1 PI-27246 [1,1,0,0,0,0|2,0,0]=4 556 B10R1.25 COc1ccc(F)cc1S PI-23728 [1,1,0,0,0,0|1,0,0]=3 557 B10R1.25 COc1ccc(S)cc1F PI-23727 [1,1,0,0,0,0|2,0,0]=4 558 B10R1.25 COc1ccc(cc1Br)Cl PI-20603 [1,1,0,0,0,0|1,1,0]=4 559 B10R1.25 COc1ccc(cc1Br)F PI-28540 [1,1,0,0,0,0|1,0,0]=3 560 B10R1.25 COc1ccc(cc1Cl)N PI-38593 [1,1,0,0,0,0|2,0,0]=4 561 B10R1.25 COc1ccc(cc1F)Br PI-16907 [1,1,0,0,0,0|1,1,0]=4 562 B10R1.25 COc1ccc(cc1F)N PI-28446 [1,1,0,0,0,0|2,0,0]=4 563 B10R1.25 COc1ccc(cc1F)O PI-34292 [1,1,0,0,0,0|2,0,0]=4 564 B10R1.25 COc1ncc(cc1Br)F PI-39398 [1,1,0,0,0,0|2,0,0]=4 565 B10R1.25 CSc1ccc(cc1C)O PI-18452 [1,1,0,0,0,0|2,0,0]=4 566 B10R1.25 ClCc1ccc(cc1Cl)F PI-20080 [1,1,0,0,0,0|1,0,0]=3 567 B10R1.25 NCc1ccc(cc1C)C PI-27988 [1,1,0,0,0,0|1,0,0]=3 568 B10R1.25 NCc1ccc(cc1F)F PI-28783 [1,1,0,0,0,0|0,0,0]=2 569 B10R1.25 NNc1ccc(cc1F)F PI-31187 [1,1,0,0,0,0|1,0,0]=3 570 B10R1.25 O=CC1=CC=C(F)C=C1F PI-16892 [1,1,0,0,0,0|1,0,1]=4 571 B10R1.25 OCc1ccc(Cl)cc1Cl PI-12129 [1,1,0,0,0,0|1,1,0]=4 572 B10R1.25 OCc1ccc(F)cc1F PI-28645 [1,1,0,0,0,0|1,0,0]=3 573 B10R1.25 OCc1ccc(cc1Br)F PI-39278 [1,1,0,0,0,0|1,0,0]=3 574 B10R1.25 OCc1ccc(cc1C)C PI-38556 [1,1,0,0,0,0|2,0,0]=4 575 B10R1.25 SCc1ccc(Br)cc1F PI-21443 [1,1,0,0,0,0|1,1,0]=4 576 B10R1.25 [C-]#[N+]c1ccc(F)cc1C PI-23767 [1,1,0,0,0,0|1,0,1]=4 577 B10R1.176 BrCc1ccc(C)c(F)c1 PI-23753 [1,1,0,0,0,0|2,0,0]=4 578 B10R1.176 BrCc1ccc(F)c(C)c1 PI-23754 [1,1,0,0,0,0|1,0,0]=3 579 B10R1.176 C1=C(C=CC(=C1F)F)C#N PI-16869 [1,1,0,0,0,0|0,0,2]=4 580 B10R1.176 C1=CC(=C(C=C1C#N)N)F PI-34256 [1,1,0,0,0,0|0,0,2]=4 581 B10R1.176 C1=CC(=C(C=C1C#N)O)F PI-35270 [1,1,0,0,0,0|0,0,2]=4 582 B10R1.176 C1=CC(=C(C=C1C=O)Cl)F PI-28406 [1,1,0,0,0,0|1,0,1]=4 583 B10R1.176 C1=CC(=C(C=C1C=O)I)F PI-26322 [1,1,0,0,0,0|1,0,1]=4 584 B10R1.176 C1=CC(=C(C=C1CBr)Cl)Cl PI-35255 [1,1,0,0,0,0|1,1,0]=4 585 B10R1.176 C1=CC(=C(C=C1CBr)Cl)F PI-20078 [1,1,0,0,0,0|1,0,0]=3 586 B10R1.176 C1=CC(=C(C=C1CBr)F)Br PI-35170 [1,1,0,0,0,0|1,1,0]=4 587 B10R1.176 C1=CC(=C(C=C1CBr)F)F PI-13391 [1,1,0,0,0,0|1,0,0]=3 588 B10R1.176 C1=CC(=C(C=C1CCl)F)F PI-21150 [1,1,0,0,0,0|1,0,0]=3 589 B10R1.176 C1=CC(=C(C=C1CN)Br)F PI-43947 [1,1,0,0,0,0|0,0,0]=2 590 B10R1.176 C1=CC(=C(C=C1CN)Cl)Cl PI-11886 [1,1,0,0,0,0|0,1,0]=3 591 B10R1.176 C1=CC(=C(C=C1CN)Cl)F PI-20074 [1,1,0,0,0,0|0,0,0]=2 592 B10R1.176 C1=CC(=C(C=C1CN)F)F PI-33741 [1,1,0,0,0,0|0,0,0]=2 593 B10R1.176 C1=CC(=C(C=C1CO)Br)F PI-14435 [1,1,0,0,0,0|1,0,0]=3 594 B10R1.176 C1=CC(=C(C=C1CO)Cl)Cl PI-32224 [1,1,0,0,0,0|1,1,0]=4 595 B10R1.176 C1=CC(=C(C=C1CO)O)I PI-45003 [1,1,0,0,0,0|1,1,0]=4 596 B10R1.176 C1=CC(=C(C=C1CO)O)O PI-19526 [1,1,0,0,0,0|2,0,0]=4 597 B10R1.176 C1=CC(=C(C=C1NN)Cl)F PI-20108 [1,1,0,0,0,0|1,0,0]=3 598 B10R1.176 C1=CC(=C(C=C1NN)Cl)F PI-20109 [1,1,0,0,0,0|1,0,0]=3 599 B10R1.176 C1=CC(=C(C=C1NN)F)F PI-31188 [1,1,0,0,0,0|1,0,0]=3 600 B10R1.176 CC1=C(C=C(C=C1)CCl)C PI-23827 [1,1,0,0,0,0|2,0,0]=4 601 B10R1.176 CC1=C(C=C(C=C1)CN)C PI-33680 [1,1,0,0,0,0|1,0,0]=3 602 B10R1.176 CC1=C(C=C(C=C1)CN)Cl PI-20155 [1,1,0,0,0,0|1,0,0]=3 603 B10R1.176 CC1=C(C=C(C=C1)NN)C PI-50516 [1,1,0,0,0,0|2,0,0]=4 604 B10R1.176 CC1=C(C=C(C=C1)NN)Cl PI-20172 [1,1,0,0,0,0|2,0,0]=4 605 B10R1.176 CC1=C(C=C(C=C1)OC)Cl PI-10076 [1,1,0,0,0,0|2,0,0]=4 606 B10R1.176 CC1=C(C=C(C=C1)OC)F PI-28510 [1,1,0,0,0,0|2,0,0]=4 607 B10R1.176 CC1=C(C=CC(=C1)C#N)F PI-10709 [1,1,0,0,0,0|0,0,2]=4 608 B10R1.176 CC1=C(C=CC(=C1)C=O)F PI-28124 [1,1,0,0,0,0|1,0,1]=4 609 B10R1.176 CC1=C(C=CC(=C1)OC)Br PI-31134 [1,1,0,0,0,0|1,1,0]=4 610 B10R1.176 CC1=C(C=CC(=C1)OC)Cl PI-19110 [1,1,0,0,0,0|1,1,0]=4 611 B10R1.176 CC1=C(C=CC(=C1)OC)F PI-28300 [1,1,0,0,0,0|1,0,0]=3 612 B10R1.176 CC1=C(C=CC(=C1)OC)N PI-11298 [1,1,0,0,0,0|2,0,0]=4 613 B10R1.176 CCc1ccc(c(c1)O)O PI-19057 [1,1,0,0,0,0|1,0,0]=3 614 B10R1.176 COC1=CC(=C(C=C1)Br)Cl PI-20604 [1,1,0,0,0,0|1,1,0]=4 615 B10R1.176 COC1=CC(=C(C=C1)Br)F PI-10453 [1,1,0,0,0,0|1,1,0]=4 616 B10R1.176 COC1=CC(=C(C=C1)Cl)Br PI-33016 [1,1,0,0,0,0|1,1,0]=4 617 B10R1.176 COC1=CC(=C(C=C1)N)O PI-34837 [1,1,0,0,0,0|2,0,0]=4 618 B10R1.176 COC1=CC(=C(C=C1)O)Br PI-14462 [1,1,0,0,0,0|2,0,0]=4 619 B10R1.176 COC1=CC(=C(C=C1)O)N PI-34807 [1,1,0,0,0,0|2,0,0]=4 620 B10R1.176 COC1=CC(F)=C(O)C=C1 PI-40578 [1,1,0,0,0,0|2,0,0]=4 621 B10R1.176 COC1=CC=C(Cl)C(F)=C1 PI-39520 [1,1,0,0,0,0|1,1,0]=4 622 B10R1.176 COC1=CC=C(N)C(N)=C1 PI-12090 [1,1,0,0,0,0|2,0,0]=4 623 B10R1.176 COc1ccc(c(c1)Cl)O PI-20143 [1,1,0,0,0,0|2,0,0]=4 624 B10R1.176 COc1ccc(c(c1)F)F PI-28067 [1,1,0,0,0,0|1,0,0]=3 625 B10R1.176 COc1ccc(c(c1)F)N PI-39131 [1,1,0,0,0,0|2,0,0]=4 626 B10R1.176 COc1ccc(c(c1)N)Br PI-35266 [1,1,0,0,0,0|1,1,0]=4 627 B10R1.176 COc1ccc(c(c1)N)N PI-29731 [1,1,0,0,0,0|2,0,0]=4 628 B10R1.176 CSC1=CC(=C(C=C1)Cl)Cl PI-11888 [1,1,0,0,0,0|1,1,0]=4 629 B10R1.176 Fc1ccc(C=O)cc1Br PI-10431 [1,1,0,0,0,0|1,0,1]=4 630 B10R1.176 N#Cc1ccc(F)c(Cl)c1 PI-16135 [1,1,0,0,0,0|0,0,2]=4 631 B10R1.176 N#Cc1ccc(c(c1)Br)F PI-28834 [1,1,0,0,0,0|0,0,2]=4 632 B10R1.176 NCc1ccc(c(c1)O)O PI-30190 [1,1,0,0,0,0|1,0,0]=3 633 B10R1.176 NNc1ccc(Cl)c(Cl)c1 PI-29297 [1,1,0,0,0,0|1,1,0]=4 634 B10R1.176 NNc1ccc(F)c(F)c1 PI-31079 [1,1,0,0,0,0|1,0,0]=3 635 B10R1.176 NNc1ccc(c(c1)C)C PI-29749 [1,1,0,0,0,0|2,0,0]=4 636 B10R1.176 O=Cc1ccc(F)c(F)c1 PI-10106 [1,1,0,0,0,0|1,0,1]=4 637 B10R1.176 OCc1ccc(c(c1)F)Br PI-39169 [1,1,0,0,0,0|1,1,0]=4 638 B10R1.4 BrCCc1ccccc1C PI-21423 [1,1,0,0,0,0|1,0,0]=3 639 B10R1.4 BrCCc1ccccc1Cl PI-21413 [1,1,0,0,0,0|1,0,0]=3 640 B10R1.4 BrCCc1ccccc1F PI-34239 [1,1,0,0,0,0|1,0,0]=3 641 B10R1.4 C1=CC=C(C(=C1)C=NN)O PI-27488 [1,1,0,0,0,0|1,0,1]=4 642 B10R1.4 C1=CC=C(C(=C1)CC#N)Br PI-22282 [1,1,0,0,0,0|0,0,2]=4 643 B10R1.4 C1=CC=C(C(=C1)CC#N)F PI-16866 [1,1,0,0,0,0|0,0,2]=4 644 B10R1.4 C1=CC=C(C(=C1)CCO)F PI-23810 [1,1,0,0,0,0|1,0,0]=3 645 B10R1.4 C1=CC=C(C(=C1)CNN)F PI-50605 [1,1,0,0,0,0|1,0,0]=3 646 B10R1.4 C=CCC1=CC=CC=C1O PI-46039 [1,1,0,0,0,0|1,0,1]=4 647 B10R1.4 CCNC1=CC=CC=C1F PI-22091 [1,1,0,0,0,0|2,0,0]=4 648 B10R1.4 CCOC1=CC=CC=C1F PI-23815 [1,1,0,0,0,0|2,0,0]=4 649 B10R1.4 CCOC1=CC=CC=C1N PI-30971 [1,1,0,0,0,0|2,0,0]=4 650 B10R1.4 N#CCc1ccccc1Cl PI-11829 [1,1,0,0,0,0|0,0,2]=4 651 B10R1.4 N#CCc1ccccc1N PI-16130 [1,1,0,0,0,0|0,0,2]=4 652 B10R1.4 NCCc1ccccc1Br PI-39292 [1,1,0,0,0,0|0,0,0]=2 653 B10R1.4 NCCc1ccccc1Cl PI-20209 [1,1,0,0,0,0|0,0,0]=2 654 B10R1.4 NCCc1ccccc1F PI-38584 [1,1,0,0,0,0|0,0,0]=2 655 B10R1.4 NOCc1ccccc1Cl PI-39246 [1,1,0,0,0,0|1,0,0]=3 656 B10R1.4 [C-]#[N+]Cc1ccccc1Cl PI-23174 [1,1,0,0,0,0|2,0,0]=4 657 B10R1.10 BrCCc1cccc(C)c1 PI-21424 [1,1,0,0,0,0|1,0,0]=3 658 B10R1.10 BrCCc1cccc(Cl)c1 PI-21414 [1,1,0,0,0,0|1,0,0]=3 659 B10R1.10 C1=CC(=CC(=C1)Br)CCN PI-48226 [1,1,0,0,0,0|0,0,0]=2 660 B10R1.10 C1=CC(=CC(=C1)F)CCBr PI-23811 [1,1,0,0,0,0|1,0,0]=3 661 B10R1.10 C1=CC(=CC(=C1)O)CCN PI-12399 [1,1,0,0,0,0|0,0,0]=2 662 B10R1.10 C1=CC(=CC(=C1)O)CCO PI-48194 [1,1,0,0,0,0|1,0,0]=3 663 B10R1.10 CCCC1=CC(=NC=C1)N PI-19769 [1,1,0,0,0,0|2,0,0]=4 664 B10R1.10 CCOC1=CC(=CC=C1)F PI-33067 [1,1,0,0,0,0|2,0,0]=4 665 B10R1.10 CCOC1=CC(=CC=C1)S PI-21359 [1,1,0,0,0,0|2,0,0]=4 666 B10R1.10 CCOc1cccc(c1)Br PI-38261 [1,1,0,0,0,0|2,0,0]=4 667 B10R1.10 N#CCc1cccc(Cl)c1 PI-11917 [1,1,0,0,0,0|0,0,2]=4 668 B10R1.10 N#CCc1cccc(F)c1 PI-16867 [1,1,0,0,0,0|0,0,2]=4 669 B10R1.10 N#CCc1cccc(c1)Br PI-11912 [1,1,0,0,0,0|0,0,2]=4 670 B10R1.10 NCCc1cccc(c1)F PI-33071 [1,1,0,0,0,0|0,0,0]=2 671 B10R1.10 OCCc1cccc(c1)Cl PI-38594 [1,1,0,0,0,0|1,0,0]=3 672 B10R1.10 [C-]#[N+]Cc1cccc(c1)Cl PI-23614 [1,1,0,0,0,0|2,0,0]=4 673 B10R1.15 C1=CC=C(C=C1)C(C#N)O PI-38881 [1,1,0,0,0,0|0,0,2]=4 674 B10R1.15 C1=CC=C(C=C1)C(CCl)O PI-42549 [1,1,0,0,0,0|1,0,0]=3 675 B10R1.15 C1=CC=C(C=C1)C(CCl)O PI-42550 [1,1,0,0,0,0|1,0,0]=3 676 B10R1.15 C1=CC=C(C=C1)C(CN)O PI-30384 [1,1,0,0,0,0|0,0,0]=2 677 B10R1.15 C1=CC=C(C=C1)C(CO)O PI-19178 [1,1,0,0,0,0|1,0,0]=3 678 B10R1.15 CC(C1=CC=CC=C1)NC PI-26776 [1,1,0,0,0,0|2,0,0]=4 679 B10R1.15 CC(CN)C1=CC=CC=C1 PI-10356 [1,1,0,0,0,0|0,0,0]=2 680 B10R1.15 CCC(C1=CC=CC=C1)N PI-16663 [1,1,0,0,0,0|1,0,0]=3 681 B10R1.15 CCC(O)c1ccccc1 PI-31770 [1,1,0,0,0,0|1,0,0]=3 682 B10R1.15 CCN(C)C1=CC=CC=C1 PI-35465 [1,1,0,0,0,0|2,0,0]=4 683 B10R1.15 CCN(C1=CC=CC=C1)N PI-29822 [1,1,0,0,0,0|2,0,0]=4 684 B10R1.15 CC[C@@H](C1=CC=CC=C1)O PI-49816 [1,1,0,0,0,0|1,0,0]=3 685 B10R1.15 CC[C@@H](c1ccccc1)N PI-16662 [1,1,0,0,0,0|1,0,0]=3 686 B10R1.15 CC[C@H](C1=CC=CC=C1)O PI-49815 [1,1,0,0,0,0|1,0,0]=3 687 B10R1.15 C[C@H](CN)c1ccccc1 PI-10355 [1,1,0,0,0,0|0,0,0]=2 688 B10R1.15 NCC(=O)c1ccccc1 PI-29691 [1,1,0,0,0,0|0,0,1]=3 689 B10R1.15 NCC(O)c1ccccc1 PI-17268 [1,1,0,0,0,0|0,0,0]=2 690 B10R1.15 NC[C@H](c1ccccc1)O PI-30721 [1,1,0,0,0,0|0,0,0]=2 691 B10R1.15 OC(C1=CC=CC=C1)CO PI-39570 [1,1,0,0,0,0|1,0,0]=3 692 B10R1.15 OCC(=O)c1ccccc1 PI-11851 [1,1,0,0,0,0|1,0,1]=4 693 B10R1.15 OC[C@@H](N)c1ccccc1 PI-16634 [1,1,0,0,0,0|1,0,0]=3 694 B10R1.15 OC[C@@H](c1ccccc1)N PI-16633 [1,1,0,0,0,0|1,0,0]=3 695 B10R1.15 OC[C@H](c1ccccc1)O PI-17035 [1,1,0,0,0,0|1,0,0]=3 696 B10R1.17 C1=CC(=CN=C1)CCCO PI-33814 [1,1,0,0,0,0|2,0,0]=4 697 B10R1.17 C1=CC=C(C=C1)C#CCO PI-48957 [1,1,0,0,0,0|1,0,1]=4 698 B10R1.17 C1=CC=C(C=C1)CN=C=S PI-28698 [1,1,0,0,0,0|1,0,1]=4 699 B10R1.17 C1=CC=C(C=C1)COCCl PI-28438 [1,1,0,0,0,0|1,0,0]=3 700 B10R1.17 C1=CC=C(C=C1)OCCBr PI-31495 [1,1,0,0,0,0|1,0,0]=3 701 B10R1.17 C1=CC=C(C=C1)OCCCl PI-12172 [1,1,0,0,0,0|1,0,0]=3 702 B10R1.17 C1=CC=C(C=C1)OCCN PI-12173 [1,1,0,0,0,0|0,0,0]=2 703 B10R1.17 C1=CC=C(C=C1)\C=C\CBr PI-46926 [1,1,0,0,0,0|1,0,1]=4 704 B10R1.17 C=CCOc1ccccc1 PI-36466 [1,1,0,0,0,0|1,0,1]=4 705 B10R1.17 CCCCC1=CC=CC=N1 PI-13327 [1,1,0,0,0,0|2,0,0]=4 706 B10R1.17 CCCC[N+]1=CC=CC=C1 PI-13343 [1,1,0,0,0,0|2,0,0]=4 707 B10R1.17 CCCC[N+]1=CC=CC=C1 PI-13349 [1,1,0,0,0,0|2,0,0]=4 708 B10R1.17 CCCC[N+]1=CC=CC=C1 PI-45700 [1,1,0,0,0,0|2,0,0]=4 709 B10R1.17 CCCC[N+]1=CC=CC=C1 PI-45703 [1,1,0,0,0,0|2,0,0]=4 710 B10R1.17 CCCSC1=CC=CC=C1 PI-19961 [1,1,0,0,0,0|1,0,0]=3 711 B10R1.17 CNCCC1=CC=CC=N1 PI-13780 [1,1,0,0,0,0|1,0,0]=3 712 B10R1.17 CNCCC1=CC=CC=N1 PI-13781 [1,1,0,0,0,0|1,0,0]=3 713 B10R1.17 CNCCc1ccncc1 PI-12002 [1,1,0,0,0,0|1,0,0]=3 714 B10R1.17 ClCCCc1ccccc1 PI-33374 [1,1,0,0,0,0|1,0,0]=3 715 B10R1.17 ClCSCc1ccccc1 PI-19537 [1,1,0,0,0,0|1,0,0]=3 716 B10R1.17 N#CSCc1ccccc1 PI-32979 [1,1,0,0,0,0|0,0,2]=4 717 B10R1.17 NCCCc1ccccc1 PI-11351 [1,1,0,0,0,0|0,0,0]=2 718 B10R1.17 OCCCc1ccccn1 PI-33813 [1,1,0,0,0,0|2,0,0]=4 719 B10R1.17 OCCCc1ccncc1 PI-31736 [1,1,0,0,0,0|2,0,0]=4 720 B10R1.17 [NH-]=[N+]=NCc1ccccc1 PI-14174 [1,1,0,0,0,0|1,0,1]=4 721 B10R1.18 B(CC1=CC=CC=C1)(O)O PI-49945 [1,1,0,0,0,0|2,0,0]=4 722 B10R1.18 C1=CC=C(C=C1)N=C(N)N PI-11304 [1,1,0,0,0,0|1,0,1]=4 723 B10R1.18 C1=CC=C(C=C1)OC(=O)N PI-10948 [1,1,0,0,0,0|1,0,1]=4 724 B10R1.18 C1=CC=[N+](C=C1)CC(=O)N PI-15939 [1,1,0,0,0,0|1,0,1]=4 725 B10R1.18 CC(C)NC1=CC=CC=C1 PI-11279 [1,1,0,0,0,0|2,0,0]=4 726 B10R1.18 CC(Cc1ccccn1)C PI-13337 [1,1,0,0,0,0|2,0,0]=4 727 B10R1.18 NC(=Nc1ccccc1)N PI-20950 [1,1,0,0,0,0|1,0,1]=4 728 B12R1.1 CC1=CC=C(C=C1)CCN=C=S PI-24090 [0,2,0,0,0,0|1,0,1]=4 729 B12R1.1 CCCCCC1=CC=C(C=C1)Br PI-16233 [0,2,0,0,0,0|1,1,0]=4 730 B12R1.1 CCCCCc1ccc(O)cc1 PI-16210 [0,2,0,0,0,0|2,0,0]=4 731 B12R1.1 CCCCOC1=CC=C(C=C1)N PI-22654 [0,2,0,0,0,0|2,0,0]=4 732 B12R1.1 CCCCOc1ccc(cc1)Br PI-36885 [0,2,0,0,0,0|1,1,0]=4 733 B12R1.1 CCCCOc1ccc(cc1)O PI-13016 [0,2,0,0,0,0|2,0,0]=4 734 B12R1.1 ClCCCOc1ccc(F)cc1 PI-16895 [0,2,0,0,0,0|1,0,0]=3 735 B12R1.1 OCCNCc1ccc(cc1)F PI-10001 [0,2,0,0,0,0|1,0,0]=3 736 B12R1.16 C1=CC(=CC=C1C(=O)CCCl)Br PI-17566 [0,2,0,0,0,0|1,1,0]=4 737 B12R1.16 C1=CC(=CC=C1C(=O)CCCl)Cl PI-12841 [0,2,0,0,0,0|1,1,0]=4 738 B12R1.16 C1=CC(=CC=C1C(=O)CCCl)F PI-28418 [0,2,0,0,0,0|1,0,0]=3 739 B12R1.16 C1=CC(=CC=C1[C@@H](CCO)N)F PI-48264 [0,2,0,0,0,0|1,0,0]=3 740 B12R1.16 CC1=CC=C(C=C1)C(=O)CCCl PI-12818 [0,2,0,0,0,0|2,0,0]=4 741 B12R1.16 CCCC(=O)C1=CC=C(C=C1)F PI-26766 [0,2,0,0,0,0|1,0,0]=3 742 B12R1.16 CCCC(=O)C1=CC=C(C=C1)O PI-31007 [0,2,0,0,0,0|2,0,0]=4 743 B12R1.16 CCOC(=O)C1=CC=C(C=C1)F PI-16489 [0,2,0,0,0,0|1,0,1]=4 744 B12R1.16 CNCC(C1=CC=C(C=C1)O)O PI-41193 [0,2,0,0,0,0|1,0,0]=3 745 B12R1.16 CNCC(O)c1ccc(O)cc1 PI-13894 [0,2,0,0,0,0|1,0,0]=3 746 B12R1.16 N#CCC(=O)c1ccc(cc1)F PI-23466 [0,2,0,0,0,0|0,0,2]=4 747 B12R1.16 OC1=CC=C(C(O)CNC)C=C1 PI-10494 [0,2,0,0,0,0|1,0,0]=3 748 B12R1.21 C1=CC(=CC=C1CCC(=O)O)Br PI-22539 [0,2,0,0,0,0|1,1,0]=4 749 B12R1.21 C1=CC(=CC=C1CCC(=O)O)F PI-16999 [0,2,0,0,0,0|1,0,0]=3 750 B12R1.21 C1=CC(=CC=C1OCC(=O)O)F PI-10469 [0,2,0,0,0,0|1,0,1]=4 751 B12R1.21 CC(CCC1=CC=C(O)C=C1)=O PI-37298 [0,2,0,0,0,0|2,0,0]=4 752 B12R1.21 CN(C)CCC1=CC=C(C=C1)O PI-20840 [0,2,0,0,0,0|1,0,0]=3 753 B12R1.21 CN(C)CCC1=CC=C(C=C1)O PI-21785 [0,2,0,0,0,0|1,0,0]=3 754 B12R1.21 C[C@H](CCc1ccc(cc1)O)O PI-38464 [0,2,0,0,0,0|2,0,0]=4 755 B12R1.21 ClC(=O)COc1ccc(F)cc1 PI-23819 [0,2,0,0,0,0|1,0,1]=4 756 B12R1.21 OC(=O)CCc1ccc(O)cc1 PI-11883 [0,2,0,0,0,0|2,0,0]=4 757 B12R1.21 OC(=O)CCc1ccc(cc1)C PI-12005 [0,2,0,0,0,0|2,0,0]=4 758 B12R1.21 OC(=O)CCc1ccc(cc1)Cl PI-11982 [0,2,0,0,0,0|1,1,0]=4 759 B12R1.21 OC(=O)CNc1ccc(cc1)F PI-38811 [0,2,0,0,0,0|1,0,1]=4 760 B12R1.49 C1=CC(=CC=C1CC(=O)NN)Cl PI-50326 [0,2,0,0,0,0|0,1,1]=4 761 B12R1.49 C1=CC(=CC=C1CC(=O)NN)F PI-50267 [0,2,0,0,0,0|0,0,1]=3 762 B12R1.49 C1=CC(=CC=C1CC(=O)NN)O PI-50261 [0,2,0,0,0,0|1,0,1]=4 763 B12R1.49 C1=CC(=CC=C1NC(=O)CCl)F PI-15659 [0,2,0,0,0,0|1,0,1]=4 764 B12R1.49 CC1=CC=C(C=C1)CC(=O)NN PI-50599 [0,2,0,0,0,0|1,0,1]=4 765 B12R1.49 COC(=O)CC1=CC=C(C=C1)F PI-50441 [0,2,0,0,0,0|1,0,1]=4 766 B12R1.49 FC1=CC=C(CC(=O)C=C)C=C1 PI-36344 [0,2,0,0,0,0|1,0,1]=4 767 B12R1.49 O\N=C(\N)/Cc1ccc(Br)cc1 PI-22267 [0,2,0,0,0,0|0,1,1]=4 768 B12R1.69 C1=CC(=C(C=C1F)F)SCC#N PI-21232 [0,2,0,0,0,0|0,0,2]=4 769 B12R1.69 C1=CC(=C(C=C1N)N)OCCO PI-11318 [0,2,0,0,0,0|2,0,0]=4 770 B12R1.69 C1=CC(=C(C=C1N)N)OCCO PI-28739 [0,2,0,0,0,0|2,0,0]=4 771 B12R1.69 OCCSc1ccc(C)cc1C PI-23963 [0,2,0,0,0,0|2,0,0]=4 772 B12R1.71 C1=CC(=CC=C1C=O)OCCCl PI-27691 [0,2,0,0,0,0|2,0,0]=4 773 B12R1.71 C1=CC(=CC=C1CCCBr)C#N PI-48396 [0,2,0,0,0,0|2,0,0]=4 774 B12R1.71 CCCCC1=CC=C(C=C1)C#C PI-30936 [0,2,0,0,0,0|2,0,0]=4 775 B12R1.71 CCCCC1=CC=C(C=C1)C#N PI-22884 [0,2,0,0,0,0|2,0,0]=4 776 B12R1.71 CCCCC1=CC=C(C=C1)C=O PI-27108 [0,2,0,0,0,0|2,0,0]=4 777 B12R1.71 CCCCC1=CC=C(C=C1)CN PI-30734 [0,2,0,0,0,0|2,0,0]=4 778 B12R1.71 CCCCC1=CC=C(C=C1)NN PI-22988 [0,2,0,0,0,0|2,0,0]=4 779 B12R1.71 COC1=CC=C(C=C1)CCCCl PI-19747 [0,2,0,0,0,0|2,0,0]=4 780 B12R1.71 O=CCCc1ccc(OC)cc1 PI-13196 [0,2,0,0,0,0|2,0,0]=4 781 B12R1.71 OCCCc1ccc(cc1)OC PI-40026 [0,2,0,0,0,0|2,0,0]=4 782 B12R1.71 OCCOc1ccc(cc1)C=O PI-27350 [0,2,0,0,0,0|2,0,0]=4 783 B12R1.385 CCCCC1=CC(=C(C=C1)I)C PI-19229 [0,2,0,0,0,0|1,1,0]=4 784 B12R1.385 CCCOC1=CC(=C(C=C1)N)N PI-15804 [0,2,0,0,0,0|2,0,0]=4 785 B12R1.385 CCCSC1=CC(=C(C=C1)N)N PI-32069 [0,2,0,0,0,0|2,0,0]=4 786 B12R1.385 OCCNc1ccc(c(c1)O)C PI-16012 [0,2,0,0,0,0|2,0,0]=4 787 B12R1.385 OCCSc1ccc(C)c(C)c1 PI-23966 [0,2,0,0,0,0|2,0,0]=4 788 B12R1.4 CC(CC1=CC=C(C=C1)OC)N PI-49796 [0,2,0,0,0,0|1,0,0]=3 789 B12R1.19 C1=C(C=C(C(=C1)F)Cl)CC(=O)O PI-28777 [0,2,0,0,0,0|1,0,1]=4 790 B12R1.19 C1=CC(=C(C=C1CC(=O)O)F)F PI-13375 [0,2,0,0,0,0|1,0,1]=4 791 B12R1.20 C1=CC(=CC=C1C(=O)C(Br)Br)F PI-30908 [0,2,0,0,0,0|1,0,1]=4 792 B12R1.20 C1=CC(=CC=C1C(C(=O)O)N)F PI-16851 [0,2,0,0,0,0|1,0,1]=4 793 B12R1.20 C1=CC(=CC=C1C(C(=O)O)N)F PI-16852 [0,2,0,0,0,0|1,0,1]=4 794 B12R1.20 CC(C(=O)C1=CC=C(C=C1)F)Br PI-46942 [0,2,0,0,0,0|1,0,1]=4 795 B12R1.20 CC(C(=O)C1=CC=C(C=C1)F)Cl PI-20114 [0,2,0,0,0,0|1,0,1]=4 796 B12R1.20 NC(c1ccc(cc1)F)C(=O)O PI-10414 [0,2,0,0,0,0|1,0,1]=4 797 B12R1.20 OC(c1ccc(cc1)Cl)C(N)C PI-10554 [0,2,0,0,0,0|0,1,0]=3 798 B12R1.20 OC(c1ccc(cc1)F)C(=O)O PI-12126 [0,2,0,0,0,0|1,0,1]=4 799 B12R1.106 C1=CC(=CC=C1CS(=O)(=O)Cl)F PI-38568 [0,2,0,0,0,0|2,0,0]=4 800 B12R1.106 C1=CC(=CC=C1F)SC(F)(F)F PI-19988 [0,2,0,0,0,0|2,0,0]=4 801 B12R1.106 C1=CC(=CC=C1OC(F)(F)F)F PI-28428 [0,2,0,0,0,0|2,0,0]=4 802 B12R1.106 Fc1ccc(cc1)CS(=O)(=O)C PI-23499 [0,2,0,0,0,0|2,0,0]=4 803 B12R1.233 C1=CC(=C(C=C1F)Br)CC(=O)O PI-44979 [0,2,0,0,0,0|1,0,1]=4 804 B12R1.233 C1=CC(=C(C=C1F)Cl)CC(=O)O PI-30228 [0,2,0,0,0,0|1,0,1]=4 805 B12R1.233 C1=CC(=C(C=C1F)F)NC(=S)N PI-21233 [0,2,0,0,0,0|1,0,1]=4 806 B12R1.233 OC(=O)Cc1ccc(cc1F)F PI-13373 [0,2,0,0,0,0|1,0,1]=4 807 B12R1.5 COC1=CC=C(C=C1)C(=O)CN PI-30558 [0,2,0,0,0,0|1,0,1]=4 808 B12R1.9 CCC(C)(C)C1=CC=C(C=C1)O PI-42642 [0,2,0,0,0,0|2,0,0]=4 809 B12R1.367 C1=CC(=C(C=C1C(=O)CBr)F)F PI-21210 [0,2,0,0,0,0|1,0,1]=4 810 B12R1.367 C1=CC(=C(C=C1C(=O)NN)F)F PI-50448 [0,2,0,0,0,0|1,0,1]=4 811 B12R1.367 C1=CC(=C(C=C1C(CN)O)O)O PI-10337 [0,2,0,0,0,0|1,0,0]=3 812 B12R1.367 C1=CC(=C(C=C1C(CO)O)O)O PI-26530 [0,2,0,0,0,0|2,0,0]=4 813 B12R1.367 C1=CC(=C(C=C1[C@@H](CCl)O)Cl)Cl PI-49810 [0,2,0,0,0,0|1,1,0]=4 814 B12R1.367 CCC(=O)C1=CC(=C(C=C1)F)Br PI-17446 [0,2,0,0,0,0|1,0,1]=4 815 B12R1.367 CCC(=O)C1=CC(=C(C=C1)F)F PI-17410 [0,2,0,0,0,0|1,0,1]=4 816 B12R1.367 O=C(NN)C1=CC=C(F)C(Br)=C1 PI-41832 [0,2,0,0,0,0|1,0,1]=4 817 B12R1.1703 C1=CC(=C(C=C1Cl)Cl)C(=O)CN PI-10227 [0,2,0,0,0,0|0,1,1]=4 818 B12R1.1703 C1=CC(=C(C=C1Cl)Cl)C(CCl)O PI-42326 [0,2,0,0,0,0|1,1,0]=4 819 B12R1.1703 C1=CC(=C(C=C1Cl)Cl)[C@H](CCl)O PI-49808 [0,2,0,0,0,0|1,1,0]=4 820 B12R1.1703 C1=CC(=C(C=C1F)F)C(=O)CBr PI-11717 [0,2,0,0,0,0|1,0,1]=4 821 B12R1.1703 C1=CC(=C(C=C1F)F)C(=O)CCl PI-28595 [0,2,0,0,0,0|1,0,1]=4 822 B12R1.1703 C1=CC(=C(C=C1F)F)C(=O)CN PI-10228 [0,2,0,0,0,0|0,0,1]=3 823 B12R1.1703 C1=CC(=C(C=C1F)F)C(=O)NN PI-21139 [0,2,0,0,0,0|1,0,1]=4 824 B12R1.1703 C1=CC(=C(C=C1F)F)[C@@H](CCl)O PI-49821 [0,2,0,0,0,0|1,0,0]=3 825 B12R1.1703 CCC(=O)c1ccc(cc1F)F PI-28864 [0,2,0,0,0,0|1,0,1]=4 826 B12R1.1703 ClC1=CC=C([C@H](O)CCl)C(Cl)=C1 PI-42331 [0,2,0,0,0,0|1,1,0]=4 827 B12R1.1123 C1=C(C(=CC(=C1F)F)F)CC#N PI-35240 [0,2,0,0,0,0|0,0,2]=4 828 B12R1.113 BrCCc1ccc(cc1)[N+](=O)[O-] PI-28623 [0,2,0,0,0,0|2,0,0]=4 829 B12R1.113 C1=CC(=CC=C1CCN)[N+](=O)[O-] PI-44091 [0,2,0,0,0,0|1,0,0]=3 830 B12R1.113 C1=CC(=CC=C1CON)[N+](=O)[O-] PI-26285 [0,2,0,0,0,0|2,0,0]=4 831 B12R1.113 CC(=O)C1=CC=C(C=C1)CCBr PI-29574 [0,2,0,0,0,0|2,0,0]=4 832 B12R1.113 CC(=O)C1=CC=C(C=C1)CCCl PI-29851 [0,2,0,0,0,0|2,0,0]=4 833 B12R1.113 CCCC1=CC=C(C=C1)C(=O)C PI-12355 [0,2,0,0,0,0|2,0,0]=4 834 B12R1.113 CCCc1ccc(cc1)B(O)O PI-28117 [0,2,0,0,0,0|2,0,0]=4 835 B12R1.113 NCCc1ccc(cc1)[N+](=O)[O-] PI-12152 [0,2,0,0,0,0|1,0,0]=3 836 B12R1.113 OCCc1ccc(cc1)[N+](=O)[O-] PI-28018 [0,2,0,0,0,0|2,0,0]=4 837 B12R1.116 C1=CC(=CC=C1CCCl)CCCl PI-19872 [0,2,0,0,0,0|1,1,0]=4 838 B12R1.288 NCCc1ccc(OC)c(O)c1 PI-20793 [0,2,0,0,0,0|1,0,0]=3 839 B12R1.44 CCCC1=CC(=C(C(=C1)Br)N)Br PI-19038 [0,2,0,0,0,0|2,0,0]=4 840 B12R1.286 COC1=C(C=CC(=C1)CCN)Br PI-48277 [0,2,0,0,0,0|0,1,0]=3 841 B12R1.286 COC1=C(C=CC(=C1)CCN)O PI-20794 [0,2,0,0,0,0|1,0,0]=3 842 B12R1.286 OCCc1ccc(c(c1)OC)O PI-27378 [0,2,0,0,0,0|2,0,0]=4 843 B10R1.2 C1=CC(=C(C(=C1)F)F)CN PI-21148 [0,0,1,1,0,0|1,0,1]=4 844 B10R1.2 NCC1=CC=CC(F)=C1Br PI-46659 [0,0,1,1,0,0|1,0,1]=4 845 B10R1.30 C1=CC(=C(C=C1F)CN)F PI-31317 [0,0,1,1,0,0|1,0,1]=4 846 B10R2.31 BrC1=CC2=C(CC2)C=C1 PI-37003 [1,0,0,1,0,0|0,1,0]=3 847 B10R2.31 NC1=CC=C2CCC2=C1 PI-40931 [1,0,0,1,0,0|1,0,0]=3 848 B10R2.31 OC1=CC=C2CCC2=C1 PI-42598 [1,0,0,1,0,0|1,0,0]=3 849 B10R2.6 C1CC1c2ccccc2 PI-17840 [1,0,0,1,0,0|1,0,0]=3 850 B10R2.6 O1C[C@@H]1c2ccccc2 PI-10841 [1,0,0,1,0,0|1,0,0]=3 851 B10R2.6 O1C[C@H]1c2ccccc2 PI-10838 [1,0,0,1,0,0|1,0,0]=3 852 B10R2.7 C12=C(CNC1)C=CC=C2 PI-41113 [1,0,0,1,0,0|2,0,0]=4 853 B10R2.7 C1=CC=C2C(=C1)C=CN2 PI-44715 [1,0,0,1,0,0|0,0,2]=4 854 B10R2.7 C1CC2=C(C1)N=CC=C2 PI-12954 [1,0,0,1,0,0|2,0,0]=4 855 B10R2.7 C1CNC2=CC=CC=C21 PI-44710 [1,0,0,1,0,0|0,0,0]=2 856 B10R2.7 C1COC2=CC=CC=C21 PI-21250 [1,0,0,1,0,0|1,0,0]=3 857 B10R2.7 c1ccc2c(c1)[nH]cn2 PI-31348 [1,0,0,1,0,0|1,0,1]=4 858 B10R2.7 c1ccc2c(c1)[nH]nc2 PI-31379 [1,0,0,1,0,0|1,0,1]=4 859 B10R2.320 C1=CC=CC2=C1CC2=O PI-40938 [1,0,0,1,0,0|1,0,1]=4 860 B10R2.320 C1C(C2=CC=CC=C21)Br PI-40935 [1,0,0,1,0,0|1,0,0]=3 861 B12R2.24 Brc1ccc2COCCc2c1 PI-36578 [0,1,0,1,0,0|1,1,0]=4 862 B12R2.24 C1CN=CC2=C1C=CC(=C2)Cl PI-41043 [0,1,0,1,0,0|0,1,1]=4 863 B12R2.24 C1CNCC2=C1C=CC(=C2)N PI-17082 [0,1,0,1,0,0|1,0,0]=3 864 B12R2.24 C1COC2=C(N1)C=C(C=C2)O PI-49017 [0,1,0,1,0,0|1,0,0]=3 865 B12R2.24 C1COC2=C(O1)C=CC(=C2)Br PI-28606 [0,1,0,1,0,0|1,1,0]=4 866 B12R2.24 CC1=CC2=C(C=C1)NCCC2 PI-29971 [0,1,0,1,0,0|2,0,0]=4 867 B12R2.24 Cc1ccc2c(c1)CNCC2 PI-39238 [0,1,0,1,0,0|1,0,0]=3 868 B12R2.24 Clc1ccc2c(c1)CCNC2 PI-39220 [0,1,0,1,0,0|1,1,0]=4 869 B12R2.24 Clc1ccc2c(c1)CNCC2 PI-39234 [0,1,0,1,0,0|0,1,0]=3 870 B12R2.24 FC1=CC2=C(CNCC2)C=C1 PI-42588 [0,1,0,1,0,0|1,0,0]=3 871 B12R2.24 Nc1ccc2c(c1)NCCC2 PI-37583 [0,1,0,1,0,0|1,0,0]=3 872 B12R2.24 Nc1ccc2c(c1)OCCO2 PI-33749 [0,1,0,1,0,0|2,0,0]=4 873 B12R2.24 Oc1ccc2c(c1)CCCC2 PI-12597 [0,1,0,1,0,0|2,0,0]=4 874 B12R2.24 Oc1ccc2c(c1)NCCC2 PI-13250 [0,1,0,1,0,0|1,0,0]=3 875 B12R2.132 Brc1ccc2CCC(=O)c2c1 PI-32742 [0,1,0,1,0,0|1,1,0]=4 876 B12R2.132 C1CC(=O)C2=C1C=CC(=C2)I PI-32743 [0,1,0,1,0,0|1,1,0]=4 877 B12R2.132 C1CC(=O)C2=C1C=CC(=C2)N PI-34587 [0,1,0,1,0,0|2,0,0]=4 878 B12R2.132 Clc1ccc2c(c1)C(=O)CC2 PI-32741 [0,1,0,1,0,0|1,1,0]=4 879 B12R2.132 Fc1ccc2c(c1)C(=O)CC2 PI-16850 [0,1,0,1,0,0|1,0,0]=3 880 B12R2.132 N[C@@H]1CCC2=C1C=C(O)C=C2 PI-37113 [0,1,0,1,0,0|1,0,0]=3 881 B12R2.132 O=C1CCC2=C1C=C(O)C=C2 PI-37330 [0,1,0,1,0,0|2,0,0]=4 882 B12R2.606 C1=CC2=C(C=C1F)N=C(S2)N PI-45304 [0,1,0,1,0,0|1,0,1]=4 883 B12R2.606 C1=CC2=C(C=C1F)NC(=O)S2 PI-45348 [0,1,0,1,0,0|1,0,1]=4 884 B12R2.606 C1=CC2=C(C=C1F)NC(=S)N2 PI-45213 [0,1,0,1,0,0|1,0,1]=4 885 B12R2.606 C1=CC2=C(C=C1F)NC(=S)S2 PI-45335 [0,1,0,1,0,0|1,0,1]=4 886 B12R2.606 C1C(=O)CC2=C1C=CC(=C2)F PI-32760 [0,1,0,1,0,0|1,0,1]=4 887 B12R2.606 C1C(CC2=C1C=CC(=C2)Br)O PI-42084 [0,1,0,1,0,0|1,1,0]=4 888 B12R2.606 C1C2=C(C=C(C=C2)F)NC1=O PI-22722 [0,1,0,1,0,0|0,0,1]=3 889 B12R2.606 C1C2=C(C=C(C=C2)I)NC1=O PI-48996 [0,1,0,1,0,0|0,1,1]=4 890 B12R2.606 CC1=NC2=C(N1)C=C(C=C2)F PI-45214 [0,1,0,1,0,0|1,0,1]=4 891 B12R2.606 Fc1ccc2c(c1)sc(n2)N PI-10111 [0,1,0,1,0,0|1,0,1]=4 892 B12R2.606 NC1CC2=C(C=C(Br)C=C2)C1 PI-42264 [0,1,0,1,0,0|0,1,0]=3 893 B12R2.606 O=C1Cc2c(N1)cc(cc2)Br PI-14491 [0,1,0,1,0,0|0,1,1]=4 894 B12R2.606 O=C1Cc2ccc(Cl)cc2N1 PI-10012 [0,1,0,1,0,0|0,1,1]=4 895 B12R2.606 O=C1NC2=CC(F)=CC=C2N1 PI-46692 [0,1,0,1,0,0|1,0,1]=4 896 B12R2.612 C1C(C2=C(O1)C=C(C=C2)Br)N PI-48312 [0,1,0,1,0,0|1,1,0]=4 897 B12R2.612 C1CC(=O)C2=C1C=C(C=C2)F PI-16849 [0,1,0,1,0,0|1,0,1]=4 898 B12R2.612 FC1=CC2=C(C=C1)C(Br)=NN2 PI-46756 [0,1,0,1,0,0|1,0,1]=4 899 B12R2.246 C1=C(C=C2C(=C1Br)C=NN2)F PI-45207 [0,1,0,1,0,0|1,0,1]=4 900 B12R2.246 C1=C(C=C2C(=C1F)C=NN2)F PI-44585 [0,1,0,1,0,0|1,0,1]=4 901 B12R2.246 C1=C(C=C2C(=C1F)C=NN2)F PI-45182 [0,1,0,1,0,0|1,0,1]=4 902 B12R2.246 C1=CNC2=C1C(=CC(=C2)F)F PI-10576 [0,1,0,1,0,0|0,0,2]=4 903 B12R2.246 C1COC2=C1C=C(C=C2F)F PI-21162 [0,1,0,1,0,0|2,0,0]=4 904 B12R2.100 C1=C2C(=CC(=C1F)Cl)N=CN2 PI-20064 [0,1,0,1,0,0|1,0,1]=4 905 B12R2.100 Clc1cc2cc[nH]c2cc1F PI-39070 [0,1,0,1,0,0|0,0,2]=4 906 B12R2.100 Fc1cc2NCCc2cc1F PI-36132 [0,1,0,1,0,0|0,0,0]=2 907 B12R2.100 Fc1cc2[nH]ccc2cc1F PI-10013 [0,1,0,1,0,0|0,0,2]=4 908 B8R1.1 CC1=CC=C(O1)CN PI-43985 [1,0,0,0,1,0|2,0,0]=4 909 B8R1.8 C1=C(NC=N1)CCN PI-44999 [1,0,0,0,1,0|2,0,0]=4 910 B8R1.8 NCCc1cccs1 PI-11168 [1,0,0,0,1,0|1,0,0]=3 911 B8R1.8 NCCc1nc[nH]c1 PI-27712 [1,0,0,0,1,0|2,0,0]=4 912 B8R1.8 NCCn1cncc1 PI-36110 [1,0,0,0,1,0|2,0,0]=4 913 B8R1.8 OCCC1=CSC=C1 PI-42380 [1,0,0,0,1,0|2,0,0]=4 914 B8R1.8 OCCc1cccs1 PI-11150 [1,0,0,0,1,0|2,0,0]=4