0 B9R1.1 BrCc1ccc(Br)cc1 PI-11967 [0,0,0,0,0,0|2,0,0]=2 1 B9R1.1 BrCc1ccc(Cl)cc1 PI-15674 [0,0,0,0,0,0|2,0,0]=2 2 B9R1.1 BrCc1ccc(I)cc1 PI-16508 [0,0,0,0,0,0|2,0,0]=2 3 B9R1.1 Brc1ccc(cc1)[N+]#N PI-10983 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.1 C#CC1=CC=C(C=C1)Br PI-30915 [0,0,0,0,0,0|2,0,1]=3 5 B9R1.1 C#Cc1ccc(F)cc1 PI-30917 [0,0,0,0,0,0|2,0,1]=3 6 B9R1.1 C1=C(C=NC(=N1)N)CO PI-45149 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.1 C1=CC(=CC=C1C#N)I PI-31146 [0,0,0,0,0,0|2,0,1]=3 8 B9R1.1 C1=CC(=CC=C1C#N)N PI-10997 [0,0,0,0,0,0|2,0,1]=3 9 B9R1.1 C1=CC(=CC=C1C=O)Cl PI-34386 [0,0,0,0,0,0|1,0,2]=3 10 B9R1.1 C1=CC(=CC=C1C=O)F PI-33068 [0,0,0,0,0,0|1,0,2]=3 11 B9R1.1 C1=CC(=CC=C1CBr)F PI-12706 [0,0,0,0,0,0|2,0,0]=2 12 B9R1.1 C1=CC(=CC=C1CCl)Br PI-20545 [0,0,0,0,0,0|2,0,0]=2 13 B9R1.1 C1=CC(=CC=C1CN)Cl PI-11469 [0,0,0,0,0,0|2,0,0]=2 14 B9R1.1 C1=CC(=CC=C1CN)I PI-33700 [0,0,0,0,0,0|2,0,0]=2 15 B9R1.1 C1=CC(=CC=C1CN)O PI-20736 [0,0,0,0,0,0|1,0,0]=1 16 B9R1.1 C1=CC(=CC=C1CO)F PI-16874 [0,0,0,0,0,0|1,0,0]=1 17 B9R1.1 C1=CC(=CC=C1CO)N PI-11961 [0,0,0,0,0,0|1,0,0]=1 18 B9R1.1 C1=CC(=CC=C1CS)F PI-23496 [0,0,0,0,0,0|1,1,0]=2 19 B9R1.1 C1=CC(=CC=C1NN)Br PI-14502 [0,0,0,0,0,0|3,0,0]=3 20 B9R1.1 C1=CC(=CC=C1NN)Br PI-50387 [0,0,0,0,0,0|3,0,0]=3 21 B9R1.1 C1=CC(=CC=C1NN)Br PI-50485 [0,0,0,0,0,0|3,0,0]=3 22 B9R1.1 C1=CC(=CC=C1NN)Cl PI-16438 [0,0,0,0,0,0|3,0,0]=3 23 B9R1.1 C1=CC(=CC=C1NN)Cl PI-50281 [0,0,0,0,0,0|3,0,0]=3 24 B9R1.1 C1=CC(=CC=C1NN)F PI-31312 [0,0,0,0,0,0|3,0,0]=3 25 B9R1.1 C1=CC(=CC=C1NN)I PI-29108 [0,0,0,0,0,0|3,0,0]=3 26 B9R1.1 C1=CC(=NC=C1Br)C#N PI-23441 [0,0,0,0,0,0|3,0,1]=4 27 B9R1.1 C1=CC(=NC=C1Br)NN PI-35293 [0,0,0,0,0,0|4,0,0]=4 28 B9R1.1 C1=CC(=NC=C1C#N)Br PI-16041 [0,0,0,0,0,0|3,0,1]=4 29 B9R1.1 C1=CC(=NC=C1C=O)Br PI-35910 [0,0,0,0,0,0|2,0,2]=4 30 B9R1.1 C1=CC(=NC=C1C=O)Cl PI-41221 [0,0,0,0,0,0|2,0,2]=4 31 B9R1.1 C1=CC(=NC=C1CBr)Br PI-50654 [0,0,0,0,0,0|3,0,0]=3 32 B9R1.1 C1=CC(=NC=C1CO)N PI-44054 [0,0,0,0,0,0|2,0,0]=2 33 B9R1.1 C1=CC(=NC=C1Cl)C#N PI-10169 [0,0,0,0,0,0|3,0,1]=4 34 B9R1.1 C1=CC(=NC=C1F)C#N PI-40473 [0,0,0,0,0,0|3,0,1]=4 35 B9R1.1 C1=CC(=NC=C1N)C#N PI-13117 [0,0,0,0,0,0|3,0,1]=4 36 B9R1.1 C1=CC(=NC=C1O)C=O PI-40986 [0,0,0,0,0,0|1,0,2]=3 37 B9R1.1 C1=C[N+](=CC=C1C#N)[O-] PI-11388 [0,0,0,0,0,0|2,0,2]=4 38 B9R1.1 C=Cc1ccc(cc1)Br PI-22599 [0,0,0,0,0,0|2,0,1]=3 39 B9R1.1 C=Cc1ccc(cc1)Cl PI-38314 [0,0,0,0,0,0|2,0,1]=3 40 B9R1.1 C=Cc1ccc(cc1)N PI-17562 [0,0,0,0,0,0|2,0,1]=3 41 B9R1.1 C=Cc1ccc(nc1)C PI-38680 [0,0,0,0,0,0|3,0,1]=4 42 B9R1.1 CC1=CC=C(C=C1)C#C PI-30916 [0,0,0,0,0,0|2,0,1]=3 43 B9R1.1 CC1=CC=C(C=C1)CBr PI-38678 [0,0,0,0,0,0|2,0,0]=2 44 B9R1.1 CC1=CN=C(C=C1)C#N PI-38220 [0,0,0,0,0,0|3,0,1]=4 45 B9R1.1 CC1=CN=C(C=N1)CN PI-48153 [0,0,0,0,0,0|4,0,0]=4 46 B9R1.1 CC1=NC=C(C=C1)C=O PI-48154 [0,0,0,0,0,0|2,0,2]=4 47 B9R1.1 CCC1=CC=C(C=C1)Br PI-16231 [0,0,0,0,0,0|2,0,0]=2 48 B9R1.1 CCC1=CC=C(C=C1)Cl PI-19776 [0,0,0,0,0,0|2,0,0]=2 49 B9R1.1 CCC1=CC=C(C=C1)F PI-22092 [0,0,0,0,0,0|2,0,0]=2 50 B9R1.1 CCC1=CC=C(C=C1)S PI-13700 [0,0,0,0,0,0|1,1,0]=2 51 B9R1.1 CCC1=CN=C(N=C1)Cl PI-21315 [0,0,0,0,0,0|4,0,0]=4 52 B9R1.1 CCc1ccc(C)cc1 PI-36542 [0,0,0,0,0,0|2,0,0]=2 53 B9R1.1 CNC1=CC=C(C=C1)Cl PI-34211 [0,0,0,0,0,0|3,0,0]=3 54 B9R1.1 CNC1=CC=C(C=C1)N PI-10555 [0,0,0,0,0,0|3,0,0]=3 55 B9R1.1 CNC1=CN=C(C=C1)Cl PI-45925 [0,0,0,0,0,0|4,0,0]=4 56 B9R1.1 CNC1=NC=C(Br)C=C1 PI-46679 [0,0,0,0,0,0|4,0,0]=4 57 B9R1.1 CNc1ccc(cc1)Br PI-21585 [0,0,0,0,0,0|3,0,0]=3 58 B9R1.1 COC1=CC=C(C=C1)F PI-12219 [0,0,0,0,0,0|3,0,0]=3 59 B9R1.1 COC1=CC=C(C=C1)S PI-21363 [0,0,0,0,0,0|2,1,0]=3 60 B9R1.1 COC1=CN=C(C=C1)Br PI-45881 [0,0,0,0,0,0|4,0,0]=4 61 B9R1.1 COC1=NC=C(C=C1)F PI-16766 [0,0,0,0,0,0|4,0,0]=4 62 B9R1.1 COc1cc[n+]([O-])cc1 PI-26063 [0,0,0,0,0,0|3,0,1]=4 63 B9R1.1 COc1ccc(Cl)cc1 PI-34198 [0,0,0,0,0,0|3,0,0]=3 64 B9R1.1 COc1ccc(N)cn1 PI-16695 [0,0,0,0,0,0|4,0,0]=4 65 B9R1.1 COc1ccc(O)cn1 PI-26700 [0,0,0,0,0,0|3,0,0]=3 66 B9R1.1 COc1ccc(cc1)Br PI-34196 [0,0,0,0,0,0|3,0,0]=3 67 B9R1.1 COc1ccc(cc1)I PI-33808 [0,0,0,0,0,0|3,0,0]=3 68 B9R1.1 COc1ccc(cc1)O PI-31355 [0,0,0,0,0,0|2,0,0]=2 69 B9R1.1 COc1ccc(cn1)Br PI-22840 [0,0,0,0,0,0|4,0,0]=4 70 B9R1.1 CSC1=CC=C(C=C1)F PI-11986 [0,0,0,0,0,0|3,0,0]=3 71 B9R1.1 CSc1ccc(cc1)O PI-18075 [0,0,0,0,0,0|2,0,0]=2 72 B9R1.1 ClCc1ccc(Cl)nc1 PI-10395 [0,0,0,0,0,0|3,0,0]=3 73 B9R1.1 ClCc1ccc(F)cc1 PI-31364 [0,0,0,0,0,0|2,0,0]=2 74 B9R1.1 ClCc1cnc(C)nc1 PI-36502 [0,0,0,0,0,0|4,0,0]=4 75 B9R1.1 N#Cc1ccc(Br)cc1 PI-11462 [0,0,0,0,0,0|2,0,1]=3 76 B9R1.1 N#Cc1ccc(Cl)cc1 PI-11470 [0,0,0,0,0,0|2,0,1]=3 77 B9R1.1 N#Cc1ccc(Cl)nc1 PI-16032 [0,0,0,0,0,0|3,0,1]=4 78 B9R1.1 N#Cc1ccc(N)nc1 PI-28520 [0,0,0,0,0,0|3,0,1]=4 79 B9R1.1 N#Cc1ccc(cc1)F PI-16865 [0,0,0,0,0,0|2,0,1]=3 80 B9R1.1 N#Cc1ccc(cc1)O PI-35246 [0,0,0,0,0,0|1,0,1]=2 81 B9R1.1 NC1=CC=C(SC)C=C1 PI-11963 [0,0,0,0,0,0|3,0,0]=3 82 B9R1.1 NCc1ccc(F)cc1 PI-11985 [0,0,0,0,0,0|2,0,0]=2 83 B9R1.1 NCc1ccc(cc1)Br PI-20544 [0,0,0,0,0,0|2,0,0]=2 84 B9R1.1 NCc1ccc(cc1)Br PI-38542 [0,0,0,0,0,0|2,0,0]=2 85 B9R1.1 NCc1ccc(nc1)Cl PI-39010 [0,0,0,0,0,0|3,0,0]=3 86 B9R1.1 NNc1ccc(C)cc1 PI-13126 [0,0,0,0,0,0|3,0,0]=3 87 B9R1.1 O=CC1=CC=C(N)N=C1 PI-37351 [0,0,0,0,0,0|2,0,2]=4 88 B9R1.1 O=CC1=NC=C(F)C=C1 PI-37201 [0,0,0,0,0,0|2,0,2]=4 89 B9R1.1 O=Cc1ccc(Br)cc1 PI-12729 [0,0,0,0,0,0|1,0,2]=3 90 B9R1.1 O=Cc1ccc(cc1)I PI-27209 [0,0,0,0,0,0|1,0,2]=3 91 B9R1.1 O=Cc1ccc(cc1)O PI-37802 [0,0,0,0,0,0|0,0,2]=2 92 B9R1.1 OCc1ccc(Cl)nc1 PI-16749 [0,0,0,0,0,0|2,0,0]=2 93 B9R1.1 OCc1ccc(S)cc1 PI-35674 [0,0,0,0,0,0|0,1,0]=1 94 B9R1.1 OCc1ccc(cc1)Cl PI-11977 [0,0,0,0,0,0|1,0,0]=1 95 B9R1.1 OCc1ccc(cc1)I PI-33685 [0,0,0,0,0,0|1,0,0]=1 96 B9R1.1 OCc1ccc(cc1)O PI-29788 [0,0,0,0,0,0|0,0,0]=0 97 B9R1.1 OCc1ccc(cn1)Br PI-10546 [0,0,0,0,0,0|2,0,0]=2 98 B9R1.1 OCc1cnc(cn1)Cl PI-39045 [0,0,0,0,0,0|3,0,0]=3 99 B9R1.1 OCc1cnc(nc1)C PI-32943 [0,0,0,0,0,0|3,0,0]=3 100 B9R1.1 [C-]#[N+]C1=CC=C(C=C1)Br PI-22497 [0,0,0,0,0,0|3,0,0]=3 101 B8R1.2 BrCC1=CC=CC=C1 PI-36476 [1,0,0,0,0,0|1,0,0]=2 102 B8R1.2 BrCC1=CN=CN=C1 PI-40551 [1,0,0,0,0,0|3,0,0]=4 103 B8R1.2 C#CC1=CC=CC=C1 PI-48958 [1,0,0,0,0,0|1,0,1]=3 104 B8R1.2 C#CC1=NC=CC=C1 PI-37137 [1,0,0,0,0,0|2,0,1]=4 105 B8R1.2 C1=C(C=NC=N1)CO PI-32945 [1,0,0,0,0,0|2,0,0]=3 106 B8R1.2 C1=C(N=CC=N1)CN PI-42651 [1,0,0,0,0,0|3,0,0]=4 107 B8R1.2 C1=CC(=CN=C1)CCl PI-16717 [1,0,0,0,0,0|2,0,0]=3 108 B8R1.2 C1=CC(=CN=C1)NN PI-39291 [1,0,0,0,0,0|3,0,0]=4 109 B8R1.2 C1=CC=NC(=C1)NN PI-46991 [1,0,0,0,0,0|3,0,0]=4 110 B8R1.2 C1=CC=NC(=C1)NN PI-50652 [1,0,0,0,0,0|3,0,0]=4 111 B8R1.2 C1=CN=C(N=C1)CO PI-35153 [1,0,0,0,0,0|2,0,0]=3 112 B8R1.2 C1=CN=CC=C1CCl PI-31734 [1,0,0,0,0,0|2,0,0]=3 113 B8R1.2 C1=CN=CC=C1CO PI-16744 [1,0,0,0,0,0|1,0,0]=2 114 B8R1.2 C1=CN=CN=C1CO PI-35498 [1,0,0,0,0,0|2,0,0]=3 115 B8R1.2 CCC1=CC=CC=N1 PI-49466 [1,0,0,0,0,0|2,0,0]=3 116 B8R1.2 CCC1=NC=CN=C1 PI-11040 [1,0,0,0,0,0|3,0,0]=4 117 B8R1.2 CC[N+]1=CC=CC=C1 PI-13342 [1,0,0,0,0,0|2,0,0]=3 118 B8R1.2 CC[N+]1=CC=CC=C1 PI-13347 [1,0,0,0,0,0|2,0,0]=3 119 B8R1.2 CNC1=CC=CC=N1 PI-11864 [1,0,0,0,0,0|3,0,0]=4 120 B8R1.2 CNC1=CC=NC=C1 PI-23603 [1,0,0,0,0,0|3,0,0]=4 121 B8R1.2 CNC1=CN=CC=C1 PI-11328 [1,0,0,0,0,0|3,0,0]=4 122 B8R1.2 COC1=CC=CC=N1 PI-33887 [1,0,0,0,0,0|3,0,0]=4 123 B8R1.2 COC1=CC=NC=C1 PI-10034 [1,0,0,0,0,0|3,0,0]=4 124 B8R1.2 COC1=CN=CC=C1 PI-33889 [1,0,0,0,0,0|3,0,0]=4 125 B8R1.2 CSC1=CC=CC=N1 PI-16757 [1,0,0,0,0,0|3,0,0]=4 126 B8R1.2 ClCC1=CN=CC=N1 PI-39634 [1,0,0,0,0,0|3,0,0]=4 127 B8R1.2 ClCC1=NC=CC=C1 PI-11827 [1,0,0,0,0,0|2,0,0]=3 128 B8R1.2 ClCc1ccccn1 PI-16716 [1,0,0,0,0,0|2,0,0]=3 129 B8R1.2 ClCc1ncccn1 PI-35014 [1,0,0,0,0,0|3,0,0]=4 130 B8R1.2 ClCc1ncccn1 PI-40553 [1,0,0,0,0,0|3,0,0]=4 131 B8R1.2 NCC1=CC=CC=C1 PI-37209 [1,0,0,0,0,0|1,0,0]=2 132 B8R1.2 NCC1=CC=NC=C1 PI-41875 [1,0,0,0,0,0|2,0,0]=3 133 B8R1.2 NCc1ccccn1 PI-33905 [1,0,0,0,0,0|2,0,0]=3 134 B8R1.2 NCc1cccnc1 PI-15236 [1,0,0,0,0,0|2,0,0]=3 135 B8R1.2 NCc1ccncc1 PI-31790 [1,0,0,0,0,0|2,0,0]=3 136 B8R1.2 NCc1ncccn1 PI-34855 [1,0,0,0,0,0|3,0,0]=4 137 B8R1.2 NCc1ncccn1 PI-34856 [1,0,0,0,0,0|3,0,0]=4 138 B8R1.2 NNC1=CC=CC=C1 PI-41551 [1,0,0,0,0,0|2,0,0]=3 139 B8R1.2 O=Cc1ccccn1 PI-33895 [1,0,0,0,0,0|1,0,2]=4 140 B8R1.2 O=Cc1cccnc1 PI-33908 [1,0,0,0,0,0|1,0,2]=4 141 B8R1.2 O=Cc1ccncc1 PI-13140 [1,0,0,0,0,0|1,0,2]=4 142 B8R1.2 OCC1=CC=CN=C1 PI-11019 [1,0,0,0,0,0|1,0,0]=2 143 B8R1.2 OCC1=NC=CC=C1 PI-16261 [1,0,0,0,0,0|1,0,0]=2 144 B8R1.2 OCc1ccncc1 PI-16686 [1,0,0,0,0,0|1,0,0]=2 145 B8R1.2 ONc1ccccc1 PI-38448 [1,0,0,0,0,0|1,0,0]=2 146 B8R1.2 [C-]#CC1=CC=CC=C1 PI-48435 [1,0,0,0,0,0|1,0,1]=3 147 B8R1.3 Brc1ccc(C)cn1 PI-10149 [1,0,0,0,0,0|2,0,0]=3 148 B8R1.3 Brc1ccc(I)cc1 PI-21525 [1,0,0,0,0,0|2,0,0]=3 149 B8R1.3 Brc1ccc(cn1)F PI-23448 [1,0,0,0,0,0|3,0,0]=4 150 B8R1.3 Brc1ccc(cn1)N PI-31056 [1,0,0,0,0,0|3,0,0]=4 151 B8R1.3 C1=C(C=NC(=N1)Cl)O PI-40987 [1,0,0,0,0,0|3,0,0]=4 152 B8R1.3 C1=C(I)C=CC(=N1)Br PI-38918 [1,0,0,0,0,0|3,0,0]=4 153 B8R1.3 C1=CC(=CC=C1Cl)Br PI-48678 [1,0,0,0,0,0|2,0,0]=3 154 B8R1.3 C1=CC(=CC=C1Cl)I PI-20137 [1,0,0,0,0,0|2,0,0]=3 155 B8R1.3 C1=CC(=CC=C1F)S PI-17595 [1,0,0,0,0,0|1,1,0]=3 156 B8R1.3 C1=CC(=CC=C1F)[S-] PI-28110 [1,0,0,0,0,0|1,1,0]=3 157 B8R1.3 C1=CC(=CC=C1N)S PI-14246 [1,0,0,0,0,0|1,1,0]=3 158 B8R1.3 C1=CC(=CC=C1S)Br PI-21352 [1,0,0,0,0,0|1,1,0]=3 159 B8R1.3 C1=CC(=NC=C1Br)F PI-23450 [1,0,0,0,0,0|3,0,0]=4 160 B8R1.3 C1=CC(=NC=C1Br)I PI-22827 [1,0,0,0,0,0|3,0,0]=4 161 B8R1.3 C1=CC(=NC=C1Cl)Br PI-10389 [1,0,0,0,0,0|3,0,0]=4 162 B8R1.3 C1=CC(=NC=C1Cl)F PI-16762 [1,0,0,0,0,0|3,0,0]=4 163 B8R1.3 C1=CC(=NC=C1Cl)I PI-34652 [1,0,0,0,0,0|3,0,0]=4 164 B8R1.3 C1=CC(=NC=C1F)Cl PI-10085 [1,0,0,0,0,0|3,0,0]=4 165 B8R1.3 C1=CC(=NC=C1F)N PI-23434 [1,0,0,0,0,0|3,0,0]=4 166 B8R1.3 C1=CC(=NC=C1I)Cl PI-20140 [1,0,0,0,0,0|3,0,0]=4 167 B8R1.3 C1=CC(=NC=C1I)F PI-16769 [1,0,0,0,0,0|3,0,0]=4 168 B8R1.3 C1=CC(=NC=C1N)N PI-33879 [1,0,0,0,0,0|3,0,0]=4 169 B8R1.3 C1=CC(=NC=C1O)Cl PI-10086 [1,0,0,0,0,0|2,0,0]=3 170 B8R1.3 C1=CC(=NC=C1O)I PI-34186 [1,0,0,0,0,0|2,0,0]=3 171 B8R1.3 C1=CC(=NC=C1O)N PI-34189 [1,0,0,0,0,0|2,0,0]=3 172 B8R1.3 CC1=CN=C(C=C1)F PI-34372 [1,0,0,0,0,0|2,0,0]=3 173 B8R1.3 CC1=CN=C(C=N1)C PI-29099 [1,0,0,0,0,0|3,0,0]=4 174 B8R1.3 CC1=CN=C(C=N1)N PI-48187 [1,0,0,0,0,0|3,0,0]=4 175 B8R1.3 CC1=CNC(=O)C=C1 PI-15774 [1,0,0,0,0,0|1,0,1]=3 176 B8R1.3 CC1=NC=C(C=C1)F PI-16773 [1,0,0,0,0,0|2,0,0]=3 177 B8R1.3 CC1=NC=C(C=C1)O PI-11928 [1,0,0,0,0,0|1,0,0]=2 178 B8R1.3 CC1=NC=C(C=N1)Br PI-35175 [1,0,0,0,0,0|3,0,0]=4 179 B8R1.3 CC1=NC=C(C=N1)F PI-45025 [1,0,0,0,0,0|3,0,0]=4 180 B8R1.3 CC1=NC=C(C=N1)N PI-32948 [1,0,0,0,0,0|3,0,0]=4 181 B8R1.3 CC1=NC=C(C=N1)O PI-42081 [1,0,0,0,0,0|2,0,0]=3 182 B8R1.3 CC1=NN=C(C=C1)N PI-44739 [1,0,0,0,0,0|3,0,0]=4 183 B8R1.3 CC1=NNC(=O)C=C1 PI-44765 [1,0,0,0,0,0|2,0,1]=4 184 B8R1.3 Cc1ccc(Cl)cn1 PI-36942 [1,0,0,0,0,0|2,0,0]=3 185 B8R1.3 Cc1ccc(Cl)nn1 PI-30064 [1,0,0,0,0,0|3,0,0]=4 186 B8R1.3 Cc1ccc(F)cc1 PI-34120 [1,0,0,0,0,0|1,0,0]=2 187 B8R1.3 Cc1ccc(I)cc1 PI-13709 [1,0,0,0,0,0|1,0,0]=2 188 B8R1.3 Cc1ccc(cn1)Br PI-23479 [1,0,0,0,0,0|2,0,0]=3 189 B8R1.3 Cc1ccc(cn1)N PI-13104 [1,0,0,0,0,0|2,0,0]=3 190 B8R1.3 Cc1ncc(nc1)Br PI-36981 [1,0,0,0,0,0|3,0,0]=4 191 B8R1.3 Clc1ccc(Br)cn1 PI-31223 [1,0,0,0,0,0|3,0,0]=4 192 B8R1.3 Clc1ccc(Cl)nc1 PI-10179 [1,0,0,0,0,0|3,0,0]=4 193 B8R1.3 Clc1ccc(cn1)C PI-16696 [1,0,0,0,0,0|2,0,0]=3 194 B8R1.3 Clc1ccc(cn1)N PI-10026 [1,0,0,0,0,0|3,0,0]=4 195 B8R1.3 Clc1cnc(O)nc1 PI-21321 [1,0,0,0,0,0|3,0,0]=4 196 B8R1.3 FC1=CC=C(Br)C=C1 PI-33066 [1,0,0,0,0,0|2,0,0]=3 197 B8R1.3 FC1=NC=C(C=C1)O PI-40204 [1,0,0,0,0,0|2,0,0]=3 198 B8R1.3 Fc1ccc(I)cc1 PI-15769 [1,0,0,0,0,0|2,0,0]=3 199 B8R1.3 Fc1ccc(N)cn1 PI-10292 [1,0,0,0,0,0|3,0,0]=4 200 B8R1.3 Fc1ccc(cc1)F PI-11683 [1,0,0,0,0,0|2,0,0]=3 201 B8R1.3 Fc1ccc(cn1)F PI-35922 [1,0,0,0,0,0|3,0,0]=4 202 B8R1.3 Ic1ccc(cc1)I PI-10976 [1,0,0,0,0,0|2,0,0]=3 203 B8R1.3 Ic1ccc(cn1)I PI-32190 [1,0,0,0,0,0|3,0,0]=4 204 B8R1.3 NC1=CN=C(N)C=C1 PI-16689 [1,0,0,0,0,0|3,0,0]=4 205 B8R1.3 Nc1ccc(O)cc1 PI-34110 [1,0,0,0,0,0|1,0,0]=2 206 B8R1.3 Nc1ccc(cc1)F PI-33065 [1,0,0,0,0,0|2,0,0]=3 207 B8R1.3 Nc1ccc(cc1)I PI-25653 [1,0,0,0,0,0|2,0,0]=3 208 B8R1.3 Nc1ccc(cn1)Br PI-22846 [1,0,0,0,0,0|3,0,0]=4 209 B8R1.3 Nc1ccc(cn1)C PI-25208 [1,0,0,0,0,0|2,0,0]=3 210 B8R1.3 Nc1ccc(cn1)Cl PI-31015 [1,0,0,0,0,0|3,0,0]=4 211 B8R1.3 Nc1ccc(cn1)I PI-10252 [1,0,0,0,0,0|3,0,0]=4 212 B8R1.3 OC1=CN=C(Br)C=C1 PI-40203 [1,0,0,0,0,0|2,0,0]=3 213 B8R1.3 OC1=NC=C(N)C=C1 PI-37317 [1,0,0,0,0,0|2,0,0]=3 214 B8R1.3 Oc1ccc(Br)cc1 PI-22230 [1,0,0,0,0,0|1,0,0]=2 215 B8R1.3 Oc1ccc(I)cc1 PI-10956 [1,0,0,0,0,0|1,0,0]=2 216 B8R1.3 Oc1ccc(cc1)F PI-27532 [1,0,0,0,0,0|1,0,0]=2 217 B8R1.3 Oc1ccc(cc1)S PI-21361 [1,0,0,0,0,0|0,1,0]=2 218 B8R1.3 Oc1ccc(cn1)Br PI-16568 [1,0,0,0,0,0|2,0,0]=3 219 B8R1.3 Oc1ccc(cn1)C PI-37410 [1,0,0,0,0,0|1,0,0]=2 220 B8R1.3 Oc1ccc(cn1)Cl PI-15823 [1,0,0,0,0,0|2,0,0]=3 221 B8R1.3 Oc1ccc(cn1)F PI-34437 [1,0,0,0,0,0|2,0,0]=3 222 B8R1.3 Oc1ccc(cn1)N PI-28402 [1,0,0,0,0,0|2,0,0]=3 223 B8R1.3 Oc1cnc(N)nc1 PI-36493 [1,0,0,0,0,0|3,0,0]=4 224 B8R1.3 [O-][n+]1ccc(cc1)C PI-33172 [1,0,0,0,0,0|1,0,1]=3 225 B10R1.1 BrCCc1ccc(Br)cc1 PI-19204 [0,1,0,0,0,0|2,0,0]=3 226 B10R1.1 BrCCc1ccc(C)cc1 PI-21425 [0,1,0,0,0,0|2,0,0]=3 227 B10R1.1 BrCCc1ccc(Cl)cc1 PI-21415 [0,1,0,0,0,0|2,0,0]=3 228 B10R1.1 BrCCc1ccc(F)cc1 PI-21419 [0,1,0,0,0,0|2,0,0]=3 229 B10R1.1 BrCCc1ccc(cc1)O PI-19128 [0,1,0,0,0,0|1,0,0]=2 230 B10R1.1 C1=CC(=CC=C1C=NO)Cl PI-27545 [0,1,0,0,0,0|1,0,1]=3 231 B10R1.1 C1=CC(=CC=C1C=NO)F PI-23440 [0,1,0,0,0,0|1,0,1]=3 232 B10R1.1 C1=CC(=CC=C1CC#N)Br PI-14499 [0,1,0,0,0,0|2,0,0]=3 233 B10R1.1 C1=CC(=CC=C1CC#N)F PI-16868 [0,1,0,0,0,0|2,0,0]=3 234 B10R1.1 C1=CC(=CC=C1CC#N)N PI-30515 [0,1,0,0,0,0|2,0,0]=3 235 B10R1.1 C1=CC(=CC=C1CCCl)F PI-20050 [0,1,0,0,0,0|2,0,0]=3 236 B10R1.1 C1=CC(=CC=C1CCN)F PI-33070 [0,1,0,0,0,0|2,0,0]=3 237 B10R1.1 C1=CC(=CC=C1CCO)Br PI-44966 [0,1,0,0,0,0|1,0,0]=2 238 B10R1.1 C1=CC(=CC=C1CCO)Cl PI-46018 [0,1,0,0,0,0|1,0,0]=2 239 B10R1.1 C1=CC(=CC=C1CCO)N PI-10092 [0,1,0,0,0,0|1,0,0]=2 240 B10R1.1 C1=CC(=CC=C1CCO)O PI-29634 [0,1,0,0,0,0|0,0,0]=1 241 B10R1.1 C1=CC(=CC=C1N=C=O)F PI-19081 [0,1,0,0,0,0|1,0,2]=4 242 B10R1.1 CC1=CC=C(C=C1)N=C=S PI-48734 [0,1,0,0,0,0|1,1,1]=4 243 B10R1.1 CC1=CC=C(C=C1)SCCl PI-19470 [0,1,0,0,0,0|2,0,0]=3 244 B10R1.1 CCCC1=CC=C(C=C1)Br PI-16232 [0,1,0,0,0,0|2,0,0]=3 245 B10R1.1 CCCC1=CC=C(C=C1)I PI-19089 [0,1,0,0,0,0|2,0,0]=3 246 B10R1.1 CCCC1=CC=C(C=C1)O PI-16209 [0,1,0,0,0,0|1,0,0]=2 247 B10R1.1 CCOC1=CC=C(C=C1)Br PI-34197 [0,1,0,0,0,0|2,0,0]=3 248 B10R1.1 CCOC1=CC=C(C=C1)I PI-12223 [0,1,0,0,0,0|2,0,0]=3 249 B10R1.1 CCOC1=NC=C(C=C1)Br PI-23209 [0,1,0,0,0,0|3,0,0]=4 250 B10R1.1 CCOc1ccc(cc1)O PI-27806 [0,1,0,0,0,0|1,0,0]=2 251 B10R1.1 CCOc1ccc(cn1)N PI-33888 [0,1,0,0,0,0|3,0,0]=4 252 B10R1.1 CNCC1=CC=C(C=C1)N PI-30552 [0,1,0,0,0,0|2,0,0]=3 253 B10R1.1 FC1=CC=C(OCC)C=C1 PI-22032 [0,1,0,0,0,0|2,0,0]=3 254 B10R1.1 N#CCC1=CC=C(O)C=C1 PI-11988 [0,1,0,0,0,0|1,0,0]=2 255 B10R1.1 N#CCc1ccc(cc1)C PI-12004 [0,1,0,0,0,0|2,0,0]=3 256 B10R1.1 NCCC1=CC=C(Br)C=C1 PI-15694 [0,1,0,0,0,0|2,0,0]=3 257 B10R1.1 NCCc1ccc(Br)cc1 PI-22229 [0,1,0,0,0,0|2,0,0]=3 258 B10R1.1 NCCc1ccc(O)cc1 PI-16006 [0,1,0,0,0,0|1,0,0]=2 259 B10R1.1 NCCc1ccc(O)cc1 PI-16007 [0,1,0,0,0,0|1,0,0]=2 260 B10R1.1 NCCc1ccc(cc1)N PI-10153 [0,1,0,0,0,0|2,0,0]=3 261 B10R1.1 O=C=Nc1ccc(cc1)C PI-11411 [0,1,0,0,0,0|1,0,2]=4 262 B10R1.1 O=C=Nc1ccc(cc1)Cl PI-11417 [0,1,0,0,0,0|1,0,2]=4 263 B10R1.1 OCCc1ccc(F)cc1 PI-28804 [0,1,0,0,0,0|1,0,0]=2 264 B10R1.1 S=C=Nc1ccc(F)cc1 PI-19162 [0,1,0,0,0,0|1,1,1]=4 265 B10R1.1 [C-]#[N+]CC1=CC=C(C=C1)Cl PI-23615 [0,1,0,0,0,0|2,0,0]=3 266 B10R1.3 BrCc1ccc(cc1)CBr PI-32199 [0,1,0,0,0,0|2,0,0]=3 267 B10R1.3 C1=CC(=CC=C1C#N)NN PI-29432 [0,1,0,0,0,0|2,0,1]=4 268 B10R1.3 C1=CC(=CC=C1C=O)C#N PI-31014 [0,1,0,0,0,0|1,0,2]=4 269 B10R1.3 C1=CC(=CC=C1CBr)C#N PI-31089 [0,1,0,0,0,0|2,0,0]=3 270 B10R1.3 C1=CC(=CC=C1CBr)C=O PI-26695 [0,1,0,0,0,0|1,0,1]=3 271 B10R1.3 C1=CC(=CC=C1CCl)C#N PI-31324 [0,1,0,0,0,0|2,0,0]=3 272 B10R1.3 C1=CC(=CC=C1CCl)C=O PI-46952 [0,1,0,0,0,0|1,0,1]=3 273 B10R1.3 C1=CC(=CC=C1CN)CN PI-19696 [0,1,0,0,0,0|2,0,0]=3 274 B10R1.3 C1=CC(=CC=C1CO)C=O PI-48330 [0,1,0,0,0,0|0,0,1]=2 275 B10R1.3 C1=CC(=CC=C1CS)CS PI-17107 [0,1,0,0,0,0|0,2,0]=3 276 B10R1.3 CCC1=CC=C(C=C1)C#C PI-30582 [0,1,0,0,0,0|2,0,0]=3 277 B10R1.3 CCC1=CC=C(C=C1)NN PI-50515 [0,1,0,0,0,0|2,0,0]=3 278 B10R1.3 CCc1ccc(C=O)cc1 PI-36758 [0,1,0,0,0,0|1,0,1]=3 279 B10R1.3 CNC1=CC=C(C=C1)C#N PI-35883 [0,1,0,0,0,0|2,0,1]=4 280 B10R1.3 COC1=CC=C(C=C1)C#N PI-11998 [0,1,0,0,0,0|1,0,1]=3 281 B10R1.3 COC1=CC=C(C=C1)CS PI-45776 [0,1,0,0,0,0|0,1,0]=2 282 B10R1.3 COC1=CC=C(CC)C=C1 PI-12098 [0,1,0,0,0,0|1,0,0]=2 283 B10R1.3 COC1=NC=C(C=C1)C=O PI-10317 [0,1,0,0,0,0|1,0,2]=4 284 B10R1.3 COc1ccc(cc1)C#C PI-30919 [0,1,0,0,0,0|1,0,1]=3 285 B10R1.3 COc1ccc(cc1)C=C PI-34180 [0,1,0,0,0,0|1,0,1]=3 286 B10R1.3 COc1ccc(cc1)SC PI-12000 [0,1,0,0,0,0|2,0,0]=3 287 B10R1.3 COc1ccc(nc1)C=O PI-39039 [0,1,0,0,0,0|1,0,2]=4 288 B10R1.3 CSC1=CC=C(C=C1)CO PI-30503 [0,1,0,0,0,0|0,1,0]=2 289 B10R1.3 CSC1=CC=C(C=C1)NN PI-29509 [0,1,0,0,0,0|2,1,0]=4 290 B10R1.3 CSc1ccc(cc1)C=O PI-27503 [0,1,0,0,0,0|0,1,2]=4 291 B10R1.3 ClCc1ccc(OC)cc1 PI-11999 [0,1,0,0,0,0|1,0,0]=2 292 B10R1.3 NCc1ccc(OC)cc1 PI-10970 [0,1,0,0,0,0|1,0,0]=2 293 B10R1.3 NCc1ccc(cc1)C#N PI-24033 [0,1,0,0,0,0|2,0,0]=3 294 B10R1.3 NNc1ccc(cc1)OC PI-25299 [0,1,0,0,0,0|2,0,0]=3 295 B10R1.3 NNc1ccc(nc1)OC PI-39209 [0,1,0,0,0,0|3,0,0]=4 296 B10R1.3 O=Cc1ccc(C#C)cc1 PI-26824 [0,1,0,0,0,0|1,0,2]=4 297 B10R1.3 O=Cc1ccc(cc1)C=O PI-38472 [0,1,0,0,0,0|0,0,3]=4 298 B10R1.3 OCc1ccc(CBr)cc1 PI-22138 [0,1,0,0,0,0|1,0,0]=2 299 B10R1.3 OCc1ccc(cc1)CO PI-30750 [0,1,0,0,0,0|0,0,0]=1 300 B10R1.3 ON=C1C=CC(=NO)C=C1 PI-16493 [0,1,0,0,0,0|1,0,0]=2 301 B10R1.13 B(C1=CC=C(C=C1)N)(O)O PI-25845 [0,1,0,0,0,0|2,0,0]=3 302 B10R1.13 B(C1=CC=C(C=C1)O)(O)O PI-25808 [0,1,0,0,0,0|1,0,0]=2 303 B10R1.13 B(C1=CC=C(C=C1)S)(O)O PI-33001 [0,1,0,0,0,0|1,1,0]=3 304 B10R1.13 B(C1=CN=C(C=C1)Br)(O)O PI-25364 [0,1,0,0,0,0|3,0,0]=4 305 B10R1.13 B(C1=CN=C(C=C1)C)(O)O PI-44977 [0,1,0,0,0,0|3,0,0]=4 306 B10R1.13 B(C1=CN=C(C=C1)F)(O)O PI-25465 [0,1,0,0,0,0|3,0,0]=4 307 B10R1.13 B(C1=NC=C(C=C1)C)(O)O PI-25499 [0,1,0,0,0,0|3,0,0]=4 308 B10R1.13 Brc1ccc(cc1)B(O)O PI-25661 [0,1,0,0,0,0|2,0,0]=3 309 B10R1.13 Brc1ccc(cc1)C(=O)O PI-27741 [0,1,0,0,0,0|1,0,1]=3 310 B10R1.13 Brc1ccc(cc1)S(=O)[O-] PI-30223 [0,1,0,0,0,0|2,0,1]=4 311 B10R1.13 Brc1ccc(cc1)[N+](=O)[O-] PI-30746 [0,1,0,0,0,0|2,0,1]=4 312 B10R1.13 Brc1ccc(cn1)C(=O)O PI-10090 [0,1,0,0,0,0|2,0,1]=4 313 B10R1.13 Brc1ccc(nc1)C(=O)O PI-10180 [0,1,0,0,0,0|2,0,1]=4 314 B10R1.13 C1=C(C(=N)N)C=CC(=C1)F PI-38824 [0,1,0,0,0,0|2,0,1]=4 315 B10R1.13 C1=CC(=CC=C1C(=N)N)Cl PI-23130 [0,1,0,0,0,0|2,0,1]=4 316 B10R1.13 C1=CC(=CC=C1C(=N)N)Cl PI-36543 [0,1,0,0,0,0|2,0,1]=4 317 B10R1.13 C1=CC(=CC=C1C(=N)N)N PI-10167 [0,1,0,0,0,0|2,0,1]=4 318 B10R1.13 C1=CC(=CC=C1C(=N)N)N PI-30927 [0,1,0,0,0,0|2,0,1]=4 319 B10R1.13 C1=CC(=CC=C1C(=O)Cl)F PI-11984 [0,1,0,0,0,0|1,0,2]=4 320 B10R1.13 C1=CC(=CC=C1C(=O)N)Cl PI-30790 [0,1,0,0,0,0|1,0,2]=4 321 B10R1.13 C1=CC(=CC=C1C(=O)N)O PI-20729 [0,1,0,0,0,0|0,0,2]=3 322 B10R1.13 C1=CC(=CC=C1C(=O)O)I PI-12206 [0,1,0,0,0,0|1,0,1]=3 323 B10R1.13 C1=CC(=CC=C1C(=O)O)S PI-11996 [0,1,0,0,0,0|0,1,1]=3 324 B10R1.13 C1=CC(=CC=C1C(=O)[O-])F PI-28585 [0,1,0,0,0,0|1,0,2]=4 325 B10R1.13 C1=CC(=CC=C1C(=S)N)Br PI-22614 [0,1,0,0,0,0|1,1,1]=4 326 B10R1.13 C1=CC(=CC=C1C(Cl)Cl)F PI-19632 [0,1,0,0,0,0|2,0,0]=3 327 B10R1.13 C1=CC(=CC=C1C(F)F)Br PI-21636 [0,1,0,0,0,0|2,0,0]=3 328 B10R1.13 C1=CC(=CC=C1C(N)=O)F PI-28843 [0,1,0,0,0,0|1,0,2]=4 329 B10R1.13 C1=CC(=CC=C1F)S(=O)[O-] PI-23445 [0,1,0,0,0,0|2,0,1]=4 330 B10R1.13 C1=CC(=CC=C1N)[N+](=O)[O-] PI-50479 [0,1,0,0,0,0|2,0,1]=4 331 B10R1.13 C1=CC(=CC=C1S(=O)[O-])Cl PI-23131 [0,1,0,0,0,0|2,0,1]=4 332 B10R1.13 C1=CC(=NC=C1C(=O)O)Cl PI-31219 [0,1,0,0,0,0|2,0,1]=4 333 B10R1.13 C1=CC(=NC=C1C(=O)O)F PI-16388 [0,1,0,0,0,0|2,0,1]=4 334 B10R1.13 C1=CC(=NC=C1C(=O)O)N PI-10089 [0,1,0,0,0,0|2,0,1]=4 335 B10R1.13 C1=CC(=O)NC=C1C(=O)O PI-10378 [0,1,0,0,0,0|1,0,2]=4 336 B10R1.13 C1=CC(=O)OC=C1C(=O)O PI-31209 [0,1,0,0,0,0|1,0,2]=4 337 B10R1.13 C1=C[N+](=CC=C1C(=O)O)[O-] PI-18162 [0,1,0,0,0,0|1,0,2]=4 338 B10R1.13 CC(=O)C1=CC=C(C=C1)Br PI-44871 [0,1,0,0,0,0|1,0,2]=4 339 B10R1.13 CC(=O)C1=CC=C(C=C1)N PI-29588 [0,1,0,0,0,0|1,0,2]=4 340 B10R1.13 CC(=O)c1ccc(cc1)I PI-29117 [0,1,0,0,0,0|1,0,2]=4 341 B10R1.13 CC(C)C1=CC=C(C=C1)Br PI-32313 [0,1,0,0,0,0|2,0,0]=3 342 B10R1.13 CC(C)C1=CC=C(C=C1)N PI-50230 [0,1,0,0,0,0|2,0,0]=3 343 B10R1.13 CC(C)C1=CC=C(C=C1)S PI-21362 [0,1,0,0,0,0|1,1,0]=3 344 B10R1.13 CC(C1=CC=C(C=C1)Br)N PI-19358 [0,1,0,0,0,0|2,0,0]=3 345 B10R1.13 CC(C1=CC=C(C=C1)Br)O PI-32579 [0,1,0,0,0,0|1,0,0]=2 346 B10R1.13 CC(C1=CC=C(C=C1)Cl)N PI-47032 [0,1,0,0,0,0|2,0,0]=3 347 B10R1.13 CC(C1=CC=C(C=C1)N)O PI-11962 [0,1,0,0,0,0|1,0,0]=2 348 B10R1.13 CC(C1=CC=C(O)C=C1)=O PI-37424 [0,1,0,0,0,0|0,0,2]=3 349 B10R1.13 CC(N)C1=NC=C(F)C=C1 PI-41878 [0,1,0,0,0,0|3,0,0]=4 350 B10R1.13 CC(c1ccc(cc1)Cl)O PI-11234 [0,1,0,0,0,0|1,0,0]=2 351 B10R1.13 CC1=CC=C(C=C1)C(=N)N PI-29803 [0,1,0,0,0,0|2,0,1]=4 352 B10R1.13 CC1=CC=C(C=C1)C(=O)C PI-32267 [0,1,0,0,0,0|1,0,2]=4 353 B10R1.13 CC1=CC=C(C=C1)C(=O)Cl PI-34220 [0,1,0,0,0,0|1,0,2]=4 354 B10R1.13 CC1=CC=C(C=C1)C(=S)N PI-30352 [0,1,0,0,0,0|1,1,1]=4 355 B10R1.13 CC1=CC=C(C=C1)C(C)O PI-32578 [0,1,0,0,0,0|1,0,0]=2 356 B10R1.13 CC1=CC=C(C=C1)[C@@H](C)O PI-49806 [0,1,0,0,0,0|1,0,0]=2 357 B10R1.13 CC1=CC=C(C=C1)[C@H](C)O PI-49807 [0,1,0,0,0,0|1,0,0]=2 358 B10R1.13 CN(C)C1=CC=C(C=C1)N PI-29738 [0,1,0,0,0,0|3,0,0]=4 359 B10R1.13 CN(C)C1=CC=C(C=C1)S PI-23412 [0,1,0,0,0,0|2,1,0]=4 360 B10R1.13 CN(c1ccc(cc1)Br)C PI-32601 [0,1,0,0,0,0|3,0,0]=4 361 B10R1.13 C[C@@H](O)C1=CC=C(Br)C=C1 PI-37362 [0,1,0,0,0,0|1,0,0]=2 362 B10R1.13 C[C@@H](c1ccc(cc1)Br)N PI-16658 [0,1,0,0,0,0|2,0,0]=3 363 B10R1.13 C[C@@H](c1ccc(cc1)Cl)O PI-36982 [0,1,0,0,0,0|1,0,0]=2 364 B10R1.13 C[C@@H](c1ccc(cc1)F)N PI-43974 [0,1,0,0,0,0|2,0,0]=3 365 B10R1.13 C[C@H](C1=CC=C(C=C1)O)O PI-49819 [0,1,0,0,0,0|0,0,0]=1 366 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 PI-41877 [0,1,0,0,0,0|3,0,0]=4 367 B10R1.13 C[C@H](c1ccc(cc1)Cl)O PI-36954 [0,1,0,0,0,0|1,0,0]=2 368 B10R1.13 Cc1ccc(cc1)C(C)C PI-39397 [0,1,0,0,0,0|2,0,0]=3 369 B10R1.13 Cc1ccc(cc1)S(=O)O PI-38460 [0,1,0,0,0,0|2,0,0]=3 370 B10R1.13 Cc1ccc(cn1)C(=O)O PI-16698 [0,1,0,0,0,0|2,0,1]=4 371 B10R1.13 ClC(=O)c1ccc(Cl)cc1 PI-34309 [0,1,0,0,0,0|1,0,2]=4 372 B10R1.13 ClC(=O)c1ccc(cc1)Br PI-11966 [0,1,0,0,0,0|1,0,2]=4 373 B10R1.13 ClC(=O)c1ccc(cc1)C PI-32402 [0,1,0,0,0,0|1,0,2]=4 374 B10R1.13 Clc1ccc(cc1)B(O)O PI-10311 [0,1,0,0,0,0|2,0,0]=3 375 B10R1.13 Clc1ccc(cn1)B(O)O PI-25579 [0,1,0,0,0,0|3,0,0]=4 376 B10R1.13 Fc1ccc(cc1)B(O)O PI-31092 [0,1,0,0,0,0|2,0,0]=3 377 B10R1.13 Fc1ccc(cc1)C(=O)O PI-16490 [0,1,0,0,0,0|1,0,1]=3 378 B10R1.13 Fc1ccc(cc1)C(C)O PI-32580 [0,1,0,0,0,0|1,0,0]=2 379 B10R1.13 Fc1ccc(cc1)[N+](=O)[O-] PI-33135 [0,1,0,0,0,0|2,0,1]=4 380 B10R1.13 IC1=CC=C(B(O)O)C=C1 PI-33000 [0,1,0,0,0,0|2,0,0]=3 381 B10R1.13 NC(=N)c1ccc(cc1)Cl PI-30146 [0,1,0,0,0,0|2,0,1]=4 382 B10R1.13 NC(=O)c1ccc(cc1)Br PI-30860 [0,1,0,0,0,0|1,0,2]=4 383 B10R1.13 NC(=S)c1ccc(cc1)Cl PI-30378 [0,1,0,0,0,0|1,1,1]=4 384 B10R1.13 NC(=S)c1ccc(cc1)O PI-20877 [0,1,0,0,0,0|0,1,1]=3 385 B10R1.13 Nc1ccc(cc1)B(O)O PI-31529 [0,1,0,0,0,0|2,0,0]=3 386 B10R1.13 Nc1ccc(cc1)C(=O)N PI-38043 [0,1,0,0,0,0|1,0,2]=4 387 B10R1.13 Nc1ccc(cc1)N(C)C PI-29785 [0,1,0,0,0,0|3,0,0]=4 388 B10R1.13 Nc1ccc(cc1)N(C)C PI-30690 [0,1,0,0,0,0|3,0,0]=4 389 B10R1.13 Nc1ccc(nc1)C(=O)O PI-10173 [0,1,0,0,0,0|2,0,1]=4 390 B10R1.13 Nc1ccc(nc1)C(C)C PI-38600 [0,1,0,0,0,0|3,0,0]=4 391 B10R1.13 O=C(N)C1=CC=C(I)C=C1 PI-41985 [0,1,0,0,0,0|1,0,2]=4 392 B10R1.13 O=[S@@](C1=CC=C(C)C=C1)N PI-41430 [0,1,0,0,0,0|2,0,1]=4 393 B10R1.13 O=[S@](C1=CC=C(C)C=C1)N PI-41427 [0,1,0,0,0,0|2,0,1]=4 394 B10R1.13 OB(c1ccc(cc1)C)O PI-35795 [0,1,0,0,0,0|2,0,0]=3 395 B10R1.13 Oc1ccc(cc1)C(=N)N PI-20730 [0,1,0,0,0,0|1,0,1]=3 396 B10R1.13 Oc1ccc(nn1)C(=O)O PI-14659 [0,1,0,0,0,0|2,0,1]=4 397 B10R1.13 Sc1ccc(cc1)[N+](=O)[O-] PI-21365 [0,1,0,0,0,0|1,1,1]=4 398 B10R1.13 [O-]C1=CC=C([N+]([O-])=O)C=C1 PI-37341 [0,1,0,0,0,0|1,0,2]=4 399 B10R1.25 BrCc1ccc(cc1F)F PI-28304 [0,1,0,0,0,0|2,0,0]=3 400 B10R1.25 C(#N)C1=C(C=C(N)C=C1)F PI-38529 [0,1,0,0,0,0|2,0,1]=4 401 B10R1.25 C1=C(C(=O)NC(=O)N1)CO PI-31382 [0,1,0,0,0,0|2,0,1]=4 402 B10R1.25 C1=CC(=C(C=C1Br)Cl)C#N PI-41206 [0,1,0,0,0,0|2,0,1]=4 403 B10R1.25 C1=CC(=C(C=C1Br)Cl)C=O PI-38898 [0,1,0,0,0,0|1,0,2]=4 404 B10R1.25 C1=CC(=C(C=C1Br)F)CBr PI-11844 [0,1,0,0,0,0|2,0,0]=3 405 B10R1.25 C1=CC(=C(C=C1Br)F)CN PI-14436 [0,1,0,0,0,0|2,0,0]=3 406 B10R1.25 C1=CC(=C(C=C1Br)F)CN PI-31021 [0,1,0,0,0,0|2,0,0]=3 407 B10R1.25 C1=CC(=C(C=C1Br)F)CO PI-14434 [0,1,0,0,0,0|1,0,0]=2 408 B10R1.25 C1=CC(=C(C=C1Br)O)C#N PI-43950 [0,1,0,0,0,0|2,0,1]=4 409 B10R1.25 C1=CC(=C(C=C1Cl)Cl)C#N PI-16132 [0,1,0,0,0,0|2,0,1]=4 410 B10R1.25 C1=CC(=C(C=C1Cl)Cl)CCl PI-33404 [0,1,0,0,0,0|2,0,0]=3 411 B10R1.25 C1=CC(=C(C=C1Cl)Cl)NN PI-11745 [0,1,0,0,0,0|3,0,0]=4 412 B10R1.25 C1=CC(=C(C=C1Cl)Cl)NN PI-34158 [0,1,0,0,0,0|3,0,0]=4 413 B10R1.25 C1=CC(=C(C=C1Cl)F)C#N PI-10694 [0,1,0,0,0,0|2,0,1]=4 414 B10R1.25 C1=CC(=C(C=C1Cl)F)C=O PI-28681 [0,1,0,0,0,0|1,0,2]=4 415 B10R1.25 C1=CC(=C(C=C1Cl)F)CO PI-40484 [0,1,0,0,0,0|1,0,0]=2 416 B10R1.25 C1=CC(=C(C=C1Cl)F)NN PI-50547 [0,1,0,0,0,0|3,0,0]=4 417 B10R1.25 C1=CC(=C(C=C1F)Br)C#N PI-16379 [0,1,0,0,0,0|2,0,1]=4 418 B10R1.25 C1=CC(=C(C=C1F)Br)C=O PI-10440 [0,1,0,0,0,0|1,0,2]=4 419 B10R1.25 C1=CC(=C(C=C1F)Br)CBr PI-28684 [0,1,0,0,0,0|2,0,0]=3 420 B10R1.25 C1=CC(=C(C=C1F)Cl)C#N PI-28676 [0,1,0,0,0,0|2,0,1]=4 421 B10R1.25 C1=CC(=C(C=C1F)Cl)C=O PI-28857 [0,1,0,0,0,0|1,0,2]=4 422 B10R1.25 C1=CC(=C(C=C1F)Cl)CBr PI-20076 [0,1,0,0,0,0|2,0,0]=3 423 B10R1.25 C1=CC(=C(C=C1F)Cl)CN PI-20071 [0,1,0,0,0,0|2,0,0]=3 424 B10R1.25 C1=CC(=C(C=C1F)Cl)NN PI-50545 [0,1,0,0,0,0|3,0,0]=4 425 B10R1.25 C1=CC(=C(C=C1F)F)NN PI-31217 [0,1,0,0,0,0|3,0,0]=4 426 B10R1.25 C1=CC(=C(C=C1F)I)CBr PI-33648 [0,1,0,0,0,0|2,0,0]=3 427 B10R1.25 C1=CC(=C(C=C1F)N)C=O PI-44252 [0,1,0,0,0,0|1,0,2]=4 428 B10R1.25 C1=CC(=C(C=C1F)O)C=O PI-18485 [0,1,0,0,0,0|1,0,2]=4 429 B10R1.25 C1=CC(=C(C=C1I)Br)C=O PI-26357 [0,1,0,0,0,0|1,0,2]=4 430 B10R1.25 C1=CC(=C(C=C1I)F)C=O PI-28942 [0,1,0,0,0,0|1,0,2]=4 431 B10R1.25 C1=CC(=C(C=C1N)N)C=O PI-44093 [0,1,0,0,0,0|1,0,2]=4 432 B10R1.25 C1=CC(=C(C=C1O)O)CO PI-11751 [0,1,0,0,0,0|0,0,0]=1 433 B10R1.25 CC1=C(C=CC(=C1)Br)C#N PI-22131 [0,1,0,0,0,0|2,0,1]=4 434 B10R1.25 CC1=C(C=CC(=C1)Br)OC PI-21586 [0,1,0,0,0,0|3,0,0]=4 435 B10R1.25 CC1=C(C=CC(=C1)Cl)NN PI-29295 [0,1,0,0,0,0|3,0,0]=4 436 B10R1.25 CC1=C(C=CC(=C1)Cl)OC PI-19447 [0,1,0,0,0,0|3,0,0]=4 437 B10R1.25 CC1=C(C=CC(=C1)F)C#N PI-10521 [0,1,0,0,0,0|2,0,1]=4 438 B10R1.25 CC1=C(C=CC(=C1)F)C=O PI-10459 [0,1,0,0,0,0|1,0,2]=4 439 B10R1.25 CC1=CC(=C(C=C1)C#N)C PI-23422 [0,1,0,0,0,0|2,0,1]=4 440 B10R1.25 CC1=CC(=C(C=C1)C#N)N PI-30405 [0,1,0,0,0,0|2,0,1]=4 441 B10R1.25 CC1=CC(=C(C=C1)C=O)Br PI-26931 [0,1,0,0,0,0|1,0,2]=4 442 B10R1.25 CC1=CC(=C(C=C1)C=O)F PI-31460 [0,1,0,0,0,0|1,0,2]=4 443 B10R1.25 CC1=CC(=C(C=C1)CCl)C PI-23825 [0,1,0,0,0,0|2,0,0]=3 444 B10R1.25 CC1=CC(=C(C=C1)CO)N PI-26925 [0,1,0,0,0,0|1,0,0]=2 445 B10R1.25 CC1=CC(=C(C=C1)NN)C PI-29747 [0,1,0,0,0,0|3,0,0]=4 446 B10R1.25 CC1=CC(=C(C=C1)NN)Cl PI-20171 [0,1,0,0,0,0|3,0,0]=4 447 B10R1.25 CC1=CC(=C(C=C1)OC)Cl PI-19323 [0,1,0,0,0,0|3,0,0]=4 448 B10R1.25 CC1=CC(=C(C=C1)OC)F PI-23730 [0,1,0,0,0,0|3,0,0]=4 449 B10R1.25 CC1=CC(=C(C=C1)OC)I PI-19656 [0,1,0,0,0,0|3,0,0]=4 450 B10R1.25 CC1=CC(=C(C=C1)[N+]#[C-])Br PI-22160 [0,1,0,0,0,0|3,0,0]=4 451 B10R1.25 CC1=CC(I)=CC=C1OC PI-19887 [0,1,0,0,0,0|3,0,0]=4 452 B10R1.25 CC1=CC=C(OC)C(Br)=C1 PI-16425 [0,1,0,0,0,0|3,0,0]=4 453 B10R1.25 CCC1=C(C=C(C=C1)O)O PI-27436 [0,1,0,0,0,0|1,0,0]=2 454 B10R1.25 CCC1=C(N=C(C=C1)C)N PI-30602 [0,1,0,0,0,0|3,0,0]=4 455 B10R1.25 CNC1=CC=C(F)C=C1F PI-21200 [0,1,0,0,0,0|3,0,0]=4 456 B10R1.25 COC1=C(C=C(C=C1)Cl)F PI-33133 [0,1,0,0,0,0|3,0,0]=4 457 B10R1.25 COC1=C(C=C(C=C1)F)Cl PI-20055 [0,1,0,0,0,0|3,0,0]=4 458 B10R1.25 COC1=C(C=C(C=C1)F)F PI-16982 [0,1,0,0,0,0|3,0,0]=4 459 B10R1.25 COC1=C(C=C(C=C1)F)F PI-34388 [0,1,0,0,0,0|3,0,0]=4 460 B10R1.25 COC1=C(C=C(C=C1)F)N PI-34515 [0,1,0,0,0,0|3,0,0]=4 461 B10R1.25 COC1=C(C=C(C=C1)F)O PI-34264 [0,1,0,0,0,0|3,0,0]=4 462 B10R1.25 COC1=C(C=C(C=C1)N)N PI-17225 [0,1,0,0,0,0|3,0,0]=4 463 B10R1.25 COC1=C(O)C=C(N)C=C1 PI-27246 [0,1,0,0,0,0|3,0,0]=4 464 B10R1.25 COc1ccc(F)cc1S PI-23728 [0,1,0,0,0,0|3,0,0]=4 465 B10R1.25 COc1ccc(S)cc1F PI-23727 [0,1,0,0,0,0|2,1,0]=4 466 B10R1.25 COc1ccc(cc1Br)Cl PI-20603 [0,1,0,0,0,0|3,0,0]=4 467 B10R1.25 COc1ccc(cc1Br)F PI-28540 [0,1,0,0,0,0|3,0,0]=4 468 B10R1.25 COc1ccc(cc1Cl)N PI-38593 [0,1,0,0,0,0|3,0,0]=4 469 B10R1.25 COc1ccc(cc1F)Br PI-16907 [0,1,0,0,0,0|3,0,0]=4 470 B10R1.25 COc1ccc(cc1F)N PI-28446 [0,1,0,0,0,0|3,0,0]=4 471 B10R1.25 COc1ccc(cc1F)O PI-34292 [0,1,0,0,0,0|2,0,0]=3 472 B10R1.25 CSc1ccc(cc1C)O PI-18452 [0,1,0,0,0,0|2,0,0]=3 473 B10R1.25 Cc1ccc(c(n1)Cl)CO PI-36936 [0,1,0,0,0,0|2,0,0]=3 474 B10R1.25 ClC1=CC(=C(C=O)C=C1)O PI-26343 [0,1,0,0,0,0|1,0,2]=4 475 B10R1.25 ClCc1ccc(cc1Cl)F PI-20080 [0,1,0,0,0,0|2,0,0]=3 476 B10R1.25 FC1=C(C=O)C=CC(=C1)O PI-28419 [0,1,0,0,0,0|0,0,2]=3 477 B10R1.25 N#CC1=CC=C(O)C=C1F PI-16085 [0,1,0,0,0,0|1,0,1]=3 478 B10R1.25 N#Cc1ccc(Cl)cc1N PI-11782 [0,1,0,0,0,0|2,0,1]=4 479 B10R1.25 N#Cc1ccc(O)cc1O PI-11750 [0,1,0,0,0,0|1,0,1]=3 480 B10R1.25 N#Cc1ccc(cc1Cl)N PI-30296 [0,1,0,0,0,0|2,0,1]=4 481 B10R1.25 N#Cc1ccc(cc1F)Br PI-16087 [0,1,0,0,0,0|2,0,1]=4 482 B10R1.25 N#Cc1ccc(cc1F)C PI-28867 [0,1,0,0,0,0|2,0,1]=4 483 B10R1.25 N#Cc1ncc(O)cc1C PI-36497 [0,1,0,0,0,0|2,0,1]=4 484 B10R1.25 NC1=C(C=O)C=CC(=C1)Br PI-41093 [0,1,0,0,0,0|1,0,2]=4 485 B10R1.25 NCc1ccc(cc1C)C PI-27988 [0,1,0,0,0,0|2,0,0]=3 486 B10R1.25 NCc1ccc(cc1F)F PI-28783 [0,1,0,0,0,0|2,0,0]=3 487 B10R1.25 NNc1ccc(cc1F)F PI-31187 [0,1,0,0,0,0|3,0,0]=4 488 B10R1.25 Nc1nc(=O)[nH]cc1CO PI-30068 [0,1,0,0,0,0|2,0,1]=4 489 B10R1.25 O=CC1=CC=C(F)C=C1F PI-16892 [0,1,0,0,0,0|1,0,2]=4 490 B10R1.25 O=Cc1ccc(Br)cc1F PI-31236 [0,1,0,0,0,0|1,0,2]=4 491 B10R1.25 O=Cc1ccc(C)cc1O PI-20805 [0,1,0,0,0,0|1,0,2]=4 492 B10R1.25 O=Cc1ccc(O)cc1Cl PI-10303 [0,1,0,0,0,0|0,0,2]=3 493 B10R1.25 O=Cc1ccc(O)cc1O PI-11749 [0,1,0,0,0,0|0,0,2]=3 494 B10R1.25 O=Cc1ccc(cc1Br)Cl PI-36966 [0,1,0,0,0,0|1,0,2]=4 495 B10R1.25 O=Cc1ccc(cc1C)C PI-27218 [0,1,0,0,0,0|1,0,2]=4 496 B10R1.25 O=Cc1ccc(cc1C)Cl PI-27562 [0,1,0,0,0,0|1,0,2]=4 497 B10R1.25 O=Cc1ccc(cc1O)Br PI-26320 [0,1,0,0,0,0|1,0,2]=4 498 B10R1.25 OC1=CC(=C(C=O)C=C1)C PI-18542 [0,1,0,0,0,0|0,0,2]=3 499 B10R1.25 OCc1ccc(Cl)cc1Cl PI-12129 [0,1,0,0,0,0|1,0,0]=2 500 B10R1.25 OCc1ccc(F)cc1F PI-28645 [0,1,0,0,0,0|1,0,0]=2 501 B10R1.25 OCc1ccc(cc1Br)F PI-39278 [0,1,0,0,0,0|1,0,0]=2 502 B10R1.25 OCc1ccc(cc1C)C PI-38556 [0,1,0,0,0,0|1,0,0]=2 503 B10R1.25 SCc1ccc(Br)cc1F PI-21443 [0,1,0,0,0,0|1,1,0]=3 504 B10R1.25 [C-]#[N+]c1ccc(Br)cc1F PI-21480 [0,1,0,0,0,0|3,0,0]=4 505 B10R1.25 [C-]#[N+]c1ccc(F)cc1C PI-23767 [0,1,0,0,0,0|3,0,0]=4 506 B10R1.176 BrC1=C(C=C(C#N)C=C1)F PI-10688 [0,1,0,0,0,0|2,0,1]=4 507 B10R1.176 BrCc1ccc(C)c(F)c1 PI-23753 [0,1,0,0,0,0|2,0,0]=3 508 B10R1.176 BrCc1ccc(F)c(C)c1 PI-23754 [0,1,0,0,0,0|2,0,0]=3 509 B10R1.176 C1=C(C=CC(=C1F)Cl)C#N PI-28050 [0,1,0,0,0,0|2,0,1]=4 510 B10R1.176 C1=C(C=CC(=C1F)F)C#N PI-16869 [0,1,0,0,0,0|2,0,1]=4 511 B10R1.176 C1=CC(=C(C=C1C#N)Br)O PI-16222 [0,1,0,0,0,0|1,0,1]=3 512 B10R1.176 C1=CC(=C(C=C1C#N)F)I PI-10700 [0,1,0,0,0,0|2,0,1]=4 513 B10R1.176 C1=CC(=C(C=C1C#N)F)N PI-10683 [0,1,0,0,0,0|2,0,1]=4 514 B10R1.176 C1=CC(=C(C=C1C#N)F)O PI-34365 [0,1,0,0,0,0|1,0,1]=3 515 B10R1.176 C1=CC(=C(C=C1C#N)N)F PI-34256 [0,1,0,0,0,0|2,0,1]=4 516 B10R1.176 C1=CC(=C(C=C1C#N)O)F PI-35270 [0,1,0,0,0,0|2,0,1]=4 517 B10R1.176 C1=CC(=C(C=C1C=O)Br)Br PI-27885 [0,1,0,0,0,0|1,0,2]=4 518 B10R1.176 C1=CC(=C(C=C1C=O)Br)Cl PI-35233 [0,1,0,0,0,0|1,0,2]=4 519 B10R1.176 C1=CC(=C(C=C1C=O)Br)O PI-18445 [0,1,0,0,0,0|0,0,2]=3 520 B10R1.176 C1=CC(=C(C=C1C=O)Cl)F PI-28406 [0,1,0,0,0,0|1,0,2]=4 521 B10R1.176 C1=CC(=C(C=C1C=O)Cl)O PI-20127 [0,1,0,0,0,0|0,0,2]=3 522 B10R1.176 C1=CC(=C(C=C1C=O)F)O PI-28509 [0,1,0,0,0,0|0,0,2]=3 523 B10R1.176 C1=CC(=C(C=C1C=O)I)F PI-26322 [0,1,0,0,0,0|1,0,2]=4 524 B10R1.176 C1=CC(=C(C=C1C=O)O)I PI-27146 [0,1,0,0,0,0|1,0,2]=4 525 B10R1.176 C1=CC(=C(C=C1CBr)Cl)Cl PI-35255 [0,1,0,0,0,0|2,0,0]=3 526 B10R1.176 C1=CC(=C(C=C1CBr)Cl)F PI-20078 [0,1,0,0,0,0|2,0,0]=3 527 B10R1.176 C1=CC(=C(C=C1CBr)F)Br PI-35170 [0,1,0,0,0,0|2,0,0]=3 528 B10R1.176 C1=CC(=C(C=C1CBr)F)F PI-13391 [0,1,0,0,0,0|2,0,0]=3 529 B10R1.176 C1=CC(=C(C=C1CCl)F)F PI-21150 [0,1,0,0,0,0|2,0,0]=3 530 B10R1.176 C1=CC(=C(C=C1CN)Br)F PI-43947 [0,1,0,0,0,0|2,0,0]=3 531 B10R1.176 C1=CC(=C(C=C1CN)Cl)Cl PI-11886 [0,1,0,0,0,0|2,0,0]=3 532 B10R1.176 C1=CC(=C(C=C1CN)Cl)F PI-20074 [0,1,0,0,0,0|2,0,0]=3 533 B10R1.176 C1=CC(=C(C=C1CN)F)F PI-33741 [0,1,0,0,0,0|2,0,0]=3 534 B10R1.176 C1=CC(=C(C=C1CO)Br)F PI-14435 [0,1,0,0,0,0|1,0,0]=2 535 B10R1.176 C1=CC(=C(C=C1CO)Cl)Cl PI-32224 [0,1,0,0,0,0|1,0,0]=2 536 B10R1.176 C1=CC(=C(C=C1CO)O)I PI-45003 [0,1,0,0,0,0|1,0,0]=2 537 B10R1.176 C1=CC(=C(C=C1CO)O)O PI-19526 [0,1,0,0,0,0|0,0,0]=1 538 B10R1.176 C1=CC(=C(C=C1NN)Cl)F PI-20108 [0,1,0,0,0,0|3,0,0]=4 539 B10R1.176 C1=CC(=C(C=C1NN)Cl)F PI-20109 [0,1,0,0,0,0|3,0,0]=4 540 B10R1.176 C1=CC(=C(C=C1NN)F)F PI-31188 [0,1,0,0,0,0|3,0,0]=4 541 B10R1.176 CC1=C(C=C(C=C1)C#N)Cl PI-20153 [0,1,0,0,0,0|2,0,1]=4 542 B10R1.176 CC1=C(C=C(C=C1)C#N)F PI-31087 [0,1,0,0,0,0|2,0,1]=4 543 B10R1.176 CC1=C(C=C(C=C1)C=O)C PI-11614 [0,1,0,0,0,0|1,0,2]=4 544 B10R1.176 CC1=C(C=C(C=C1)C=O)F PI-28215 [0,1,0,0,0,0|1,0,2]=4 545 B10R1.176 CC1=C(C=C(C=C1)CCl)C PI-23827 [0,1,0,0,0,0|2,0,0]=3 546 B10R1.176 CC1=C(C=C(C=C1)CN)C PI-33680 [0,1,0,0,0,0|2,0,0]=3 547 B10R1.176 CC1=C(C=C(C=C1)CN)Cl PI-20155 [0,1,0,0,0,0|2,0,0]=3 548 B10R1.176 CC1=C(C=C(C=C1)NN)C PI-50516 [0,1,0,0,0,0|3,0,0]=4 549 B10R1.176 CC1=C(C=C(C=C1)NN)Cl PI-20172 [0,1,0,0,0,0|3,0,0]=4 550 B10R1.176 CC1=C(C=C(C=C1)OC)Cl PI-10076 [0,1,0,0,0,0|3,0,0]=4 551 B10R1.176 CC1=C(C=C(C=C1)OC)F PI-28510 [0,1,0,0,0,0|3,0,0]=4 552 B10R1.176 CC1=C(C=CC(=C1)C#N)Br PI-14470 [0,1,0,0,0,0|2,0,1]=4 553 B10R1.176 CC1=C(C=CC(=C1)C#N)F PI-10709 [0,1,0,0,0,0|2,0,1]=4 554 B10R1.176 CC1=C(C=CC(=C1)C#N)N PI-30932 [0,1,0,0,0,0|2,0,1]=4 555 B10R1.176 CC1=C(C=CC(=C1)C=O)F PI-28124 [0,1,0,0,0,0|1,0,2]=4 556 B10R1.176 CC1=C(C=CC(=C1)C=O)O PI-18215 [0,1,0,0,0,0|0,0,2]=3 557 B10R1.176 CC1=C(C=CC(=C1)OC)Br PI-31134 [0,1,0,0,0,0|3,0,0]=4 558 B10R1.176 CC1=C(C=CC(=C1)OC)Cl PI-19110 [0,1,0,0,0,0|3,0,0]=4 559 B10R1.176 CC1=C(C=CC(=C1)OC)F PI-28300 [0,1,0,0,0,0|3,0,0]=4 560 B10R1.176 CC1=C(C=CC(=C1)OC)N PI-11298 [0,1,0,0,0,0|3,0,0]=4 561 B10R1.176 CCc1ccc(c(c1)O)O PI-19057 [0,1,0,0,0,0|1,0,0]=2 562 B10R1.176 COC1=CC(=C(C=C1)Br)Cl PI-20604 [0,1,0,0,0,0|3,0,0]=4 563 B10R1.176 COC1=CC(=C(C=C1)Br)F PI-10453 [0,1,0,0,0,0|3,0,0]=4 564 B10R1.176 COC1=CC(=C(C=C1)Cl)Br PI-33016 [0,1,0,0,0,0|3,0,0]=4 565 B10R1.176 COC1=CC(=C(C=C1)N)O PI-34837 [0,1,0,0,0,0|3,0,0]=4 566 B10R1.176 COC1=CC(=C(C=C1)O)Br PI-14462 [0,1,0,0,0,0|2,0,0]=3 567 B10R1.176 COC1=CC(=C(C=C1)O)N PI-34807 [0,1,0,0,0,0|2,0,0]=3 568 B10R1.176 COC1=CC(F)=C(O)C=C1 PI-40578 [0,1,0,0,0,0|2,0,0]=3 569 B10R1.176 COC1=CC=C(Cl)C(F)=C1 PI-39520 [0,1,0,0,0,0|3,0,0]=4 570 B10R1.176 COC1=CC=C(N)C(N)=C1 PI-12090 [0,1,0,0,0,0|3,0,0]=4 571 B10R1.176 COc1ccc(c(c1)Cl)O PI-20143 [0,1,0,0,0,0|2,0,0]=3 572 B10R1.176 COc1ccc(c(c1)F)F PI-28067 [0,1,0,0,0,0|3,0,0]=4 573 B10R1.176 COc1ccc(c(c1)F)N PI-39131 [0,1,0,0,0,0|3,0,0]=4 574 B10R1.176 COc1ccc(c(c1)N)Br PI-35266 [0,1,0,0,0,0|3,0,0]=4 575 B10R1.176 COc1ccc(c(c1)N)N PI-29731 [0,1,0,0,0,0|3,0,0]=4 576 B10R1.176 CSC1=CC(=C(C=C1)Cl)Cl PI-11888 [0,1,0,0,0,0|3,0,0]=4 577 B10R1.176 Fc1ccc(C=O)cc1Br PI-10431 [0,1,0,0,0,0|1,0,2]=4 578 B10R1.176 N#Cc1ccc(Cl)c(Cl)c1 PI-16133 [0,1,0,0,0,0|2,0,1]=4 579 B10R1.176 N#Cc1ccc(F)c(Cl)c1 PI-16135 [0,1,0,0,0,0|2,0,1]=4 580 B10R1.176 N#Cc1ccc(N)c(Br)c1 PI-30657 [0,1,0,0,0,0|2,0,1]=4 581 B10R1.176 N#Cc1ccc(c(c1)Br)C PI-34358 [0,1,0,0,0,0|2,0,1]=4 582 B10R1.176 N#Cc1ccc(c(c1)Br)Cl PI-38899 [0,1,0,0,0,0|2,0,1]=4 583 B10R1.176 N#Cc1ccc(c(c1)Br)F PI-28834 [0,1,0,0,0,0|2,0,1]=4 584 B10R1.176 N#Cc1ccc(c(c1)C)C PI-29364 [0,1,0,0,0,0|2,0,1]=4 585 B10R1.176 N#Cc1ccc(c(c1)Cl)N PI-30322 [0,1,0,0,0,0|2,0,1]=4 586 B10R1.176 N#Cc1ccc(c(c1)N)Cl PI-35250 [0,1,0,0,0,0|2,0,1]=4 587 B10R1.176 N#Cc1ccc(c(c1)N)N PI-20945 [0,1,0,0,0,0|2,0,1]=4 588 B10R1.176 NCc1ccc(c(c1)O)O PI-30190 [0,1,0,0,0,0|1,0,0]=2 589 B10R1.176 NNc1ccc(Cl)c(Cl)c1 PI-29297 [0,1,0,0,0,0|3,0,0]=4 590 B10R1.176 NNc1ccc(F)c(F)c1 PI-31079 [0,1,0,0,0,0|3,0,0]=4 591 B10R1.176 NNc1ccc(c(c1)C)C PI-29749 [0,1,0,0,0,0|3,0,0]=4 592 B10R1.176 O=CC1=CC=C(O)C(I)=C1 PI-27762 [0,1,0,0,0,0|0,0,2]=3 593 B10R1.176 O=Cc1ccc(Cl)c(F)c1 PI-10524 [0,1,0,0,0,0|1,0,2]=4 594 B10R1.176 O=Cc1ccc(F)c(F)c1 PI-10106 [0,1,0,0,0,0|1,0,2]=4 595 B10R1.176 O=Cc1ccc(I)c(F)c1 PI-28941 [0,1,0,0,0,0|1,0,2]=4 596 B10R1.176 O=Cc1ccc(I)c(I)c1 PI-26672 [0,1,0,0,0,0|1,0,2]=4 597 B10R1.176 O=Cc1ccc(O)c(O)c1 PI-10046 [0,1,0,0,0,0|0,0,2]=3 598 B10R1.176 O=Cc1ccc(c(c1)Cl)Cl PI-18774 [0,1,0,0,0,0|1,0,2]=4 599 B10R1.176 O=Cc1ccc(c(c1)F)Br PI-10449 [0,1,0,0,0,0|1,0,2]=4 600 B10R1.176 O=Cc1ccc(c(c1)O)C PI-27720 [0,1,0,0,0,0|1,0,2]=4 601 B10R1.176 OCc1ccc(c(c1)F)Br PI-39169 [0,1,0,0,0,0|1,0,0]=2 602 B10R1.176 OCc1occ(c(=O)c1)O PI-37271 [0,1,0,0,0,0|1,0,0]=2 603 B10R2.31 BrC1=CC2=C(CC2)C=C1 PI-37003 [0,0,0,1,0,0|2,0,0]=3 604 B10R2.31 NC1=CC=C2CCC2=C1 PI-40931 [0,0,0,1,0,0|2,0,0]=3 605 B10R2.31 OC1=CC=C2CCC2=C1 PI-42598 [0,0,0,1,0,0|1,0,0]=2 606 B8R1.1 C1=C(N=C(S1)Br)CO PI-25632 [0,0,0,0,1,0|3,0,0]=4 607 B8R1.1 C1=C(SC(=C1)Br)CO PI-45451 [0,0,0,0,1,0|2,0,0]=3 608 B8R1.1 C1=C(SC(=C1)Cl)CCl PI-27377 [0,0,0,0,1,0|3,0,0]=4 609 B8R1.1 C1=C(SC(=C1)Cl)CO PI-45044 [0,0,0,0,1,0|2,0,0]=3 610 B8R1.1 C1=CC(=O)OC1CO PI-27913 [0,0,0,0,1,0|1,0,2]=4 611 B8R1.1 CC1=CC=C(O1)CN PI-43985 [0,0,0,0,1,0|3,0,0]=4 612 B8R1.1 Cc1cc(no1)CO PI-20812 [0,0,0,0,1,0|3,0,0]=4 613 B8R1.1 OCC1=CN=C(Cl)S1 PI-46742 [0,0,0,0,1,0|3,0,0]=4 614 B7R0.6 CC(=O)C=CC(=O)O PI-29616 [1,0,1,0,0,0|2,0,0]=4 615 B7R1.3 Brc1cccnc1 PI-11914 [2,0,0,0,0,0|2,0,0]=4 616 B7R1.3 Brc1ccncc1 PI-10390 [2,0,0,0,0,0|2,0,0]=4 617 B7R1.3 C1=CC(=CN=C1)I PI-11390 [2,0,0,0,0,0|2,0,0]=4 618 B7R1.3 C1=CC(=CN=C1)O PI-44714 [2,0,0,0,0,0|1,0,0]=3 619 B7R1.3 C1=CC(=CN=C1)[O-] PI-42109 [2,0,0,0,0,0|1,0,1]=4 620 B7R1.3 C1=CC(=O)NC=C1 PI-13304 [2,0,0,0,0,0|1,0,1]=4 621 B7R1.3 C1=CC(=O)NC=C1 PI-49120 [2,0,0,0,0,0|1,0,1]=4 622 B7R1.3 C1=CC(=O)OC=C1 PI-46989 [2,0,0,0,0,0|1,0,1]=4 623 B7R1.3 C1=CC(=S)NC=C1 PI-11854 [2,0,0,0,0,0|1,1,0]=4 624 B7R1.3 C1=CC=C(C=C1)[Si] PI-45035 [2,0,0,0,0,0|0,1,0]=3 625 B7R1.3 C1=CC=NC(=C1)I PI-32173 [2,0,0,0,0,0|2,0,0]=4 626 B7R1.3 C1=CN=CC=C1Cl PI-16703 [2,0,0,0,0,0|2,0,0]=4 627 B7R1.3 C1=CN=CC=C1F PI-10293 [2,0,0,0,0,0|2,0,0]=4 628 B7R1.3 C1=CN=CC=C1F PI-28763 [2,0,0,0,0,0|2,0,0]=4 629 B7R1.3 C1=CN=CC=C1I PI-16167 [2,0,0,0,0,0|2,0,0]=4 630 B7R1.3 C1=CNC=CC1=S PI-33123 [2,0,0,0,0,0|1,1,0]=4 631 B7R1.3 C1=COC=CC1=O PI-43972 [2,0,0,0,0,0|1,0,1]=4 632 B7R1.3 CC1=CC=CC=N1 PI-38534 [2,0,0,0,0,0|1,0,0]=3 633 B7R1.3 CC1=CN=CN=C1 PI-21343 [2,0,0,0,0,0|2,0,0]=4 634 B7R1.3 CC1=CN=NC=C1 PI-31701 [2,0,0,0,0,0|2,0,0]=4 635 B7R1.3 CC1=NC=CN=C1 PI-48495 [2,0,0,0,0,0|2,0,0]=4 636 B7R1.3 C[N+]1=CC=CC=C1 PI-13346 [2,0,0,0,0,0|1,0,0]=3 637 B7R1.3 C[n+]1ccccc1 PI-17168 [2,0,0,0,0,0|1,0,0]=3 638 B7R1.3 Cc1ncccn1 PI-35192 [2,0,0,0,0,0|2,0,0]=4 639 B7R1.3 Clc1cccnc1 PI-11921 [2,0,0,0,0,0|2,0,0]=4 640 B7R1.3 Fc1ccccn1 PI-11583 [2,0,0,0,0,0|2,0,0]=4 641 B7R1.3 Fc1cccnc1 PI-16759 [2,0,0,0,0,0|2,0,0]=4 642 B7R1.3 Ic1ccccc1 PI-37973 [2,0,0,0,0,0|1,0,0]=3 643 B7R1.3 N[n+]1ccccc1 PI-10984 [2,0,0,0,0,0|2,0,0]=4 644 B7R1.3 O=C1C=CNC=C1 PI-33984 [2,0,0,0,0,0|1,0,1]=4 645 B7R1.3 Oc1cncnc1 PI-36495 [2,0,0,0,0,0|2,0,0]=4 646 B7R1.3 [S-]c1ccccc1 PI-17985 [2,0,0,0,0,0|0,1,0]=3 647 B9R1.2 BrCc1cccc(I)c1 PI-29628 [1,1,0,0,0,0|1,0,0]=3 648 B9R1.2 BrCc1cccc(c1)Br PI-13393 [1,1,0,0,0,0|1,0,0]=3 649 B9R1.2 BrCc1cccc(c1)Cl PI-23167 [1,1,0,0,0,0|1,0,0]=3 650 B9R1.2 C#CC1=CC(=CC=C1)Br PI-30913 [1,1,0,0,0,0|1,0,1]=4 651 B9R1.2 C#CC1=CC(=CC=C1)Cl PI-30914 [1,1,0,0,0,0|1,0,1]=4 652 B9R1.2 C#CC1=CC(=CC=C1)F PI-30388 [1,1,0,0,0,0|1,0,1]=4 653 B9R1.2 C#Cc1cccc(N)c1 PI-10850 [1,1,0,0,0,0|1,0,1]=4 654 B9R1.2 C1=C(C=NC=C1Br)CO PI-47170 [1,1,0,0,0,0|1,0,0]=3 655 B9R1.2 C1=C(C=NC=C1Cl)CO PI-34717 [1,1,0,0,0,0|1,0,0]=3 656 B9R1.2 C1=CC(=CC(=C1)Br)C#N PI-30857 [1,1,0,0,0,0|1,0,1]=4 657 B9R1.2 C1=CC(=CC(=C1)Br)CCl PI-35258 [1,1,0,0,0,0|1,0,0]=3 658 B9R1.2 C1=CC(=CC(=C1)Br)CO PI-10954 [1,1,0,0,0,0|0,0,0]=2 659 B9R1.2 C1=CC(=CC(=C1)Cl)CCl PI-34222 [1,1,0,0,0,0|1,0,0]=3 660 B9R1.2 C1=CC(=CC(=C1)Cl)NN PI-29369 [1,1,0,0,0,0|2,0,0]=4 661 B9R1.2 C1=CC(=CC(=C1)F)CBr PI-13389 [1,1,0,0,0,0|1,0,0]=3 662 B9R1.2 C1=CC(=CC(=C1)F)CCl PI-34129 [1,1,0,0,0,0|1,0,0]=3 663 B9R1.2 C1=CC(=CC(=C1)F)CO PI-16873 [1,1,0,0,0,0|0,0,0]=2 664 B9R1.2 C1=CC(=CC(=C1)F)NN PI-29439 [1,1,0,0,0,0|2,0,0]=4 665 B9R1.2 C1=CC(=CC(=C1)I)C=O PI-27854 [1,1,0,0,0,0|0,0,2]=4 666 B9R1.2 C1=CC(=CC(=C1)N)C=O PI-27126 [1,1,0,0,0,0|0,0,2]=4 667 B9R1.2 C1=CC(=CC(=C1)O)C#N PI-35245 [1,1,0,0,0,0|1,0,1]=4 668 B9R1.2 C1=CC(=CC(=C1)O)CBr PI-43991 [1,1,0,0,0,0|1,0,0]=3 669 B9R1.2 C1=CC(=CC(=C1)O)CO PI-11929 [1,1,0,0,0,0|0,0,0]=2 670 B9R1.2 C1=CC(=NC(=C1)Br)CBr PI-34987 [1,1,0,0,0,0|2,0,0]=4 671 B9R1.2 C1=CC(=NC(=C1)Br)CN PI-34988 [1,1,0,0,0,0|2,0,0]=4 672 B9R1.2 C1=CC(=NC(=C1)Br)CO PI-11552 [1,1,0,0,0,0|1,0,0]=3 673 B9R1.2 C1=CC(=NC(=C1)Cl)CO PI-35291 [1,1,0,0,0,0|1,0,0]=3 674 B9R1.2 C1=CC(=NC(=C1)Cl)CO PI-35292 [1,1,0,0,0,0|1,0,0]=3 675 B9R1.2 C1=CN=C(C=C1CBr)Br PI-40971 [1,1,0,0,0,0|2,0,0]=4 676 B9R1.2 C1=CN=C(C=C1CO)Br PI-27098 [1,1,0,0,0,0|1,0,0]=3 677 B9R1.2 C1=CN=C(C=C1CO)F PI-44971 [1,1,0,0,0,0|1,0,0]=3 678 B9R1.2 C1=CN=C(C=C1Cl)CO PI-34715 [1,1,0,0,0,0|1,0,0]=3 679 B9R1.2 C=CC1=CC(=CC=C1)Br PI-22598 [1,1,0,0,0,0|1,0,1]=4 680 B9R1.2 C=Cc1cccc(c1)C PI-40767 [1,1,0,0,0,0|1,0,1]=4 681 B9R1.2 CC1=CC(=CC=C1)C=O PI-11938 [1,1,0,0,0,0|0,0,2]=4 682 B9R1.2 CC1=CC(=CC=C1)CN PI-35861 [1,1,0,0,0,0|1,0,0]=3 683 B9R1.2 CCC1=CC(=CC=C1)Br PI-21410 [1,1,0,0,0,0|1,0,0]=3 684 B9R1.2 CCC1=CC(=NC=C1)Br PI-24478 [1,1,0,0,0,0|2,0,0]=4 685 B9R1.2 CCc1cccc(N)n1 PI-30318 [1,1,0,0,0,0|2,0,0]=4 686 B9R1.2 CCc1ccnc(c1)N PI-30483 [1,1,0,0,0,0|2,0,0]=4 687 B9R1.2 CNc1cccc(c1)F PI-29299 [1,1,0,0,0,0|2,0,0]=4 688 B9R1.2 COC1=CC(=CC=C1)Br PI-12683 [1,1,0,0,0,0|2,0,0]=4 689 B9R1.2 COC1=CC(=CC=C1)S PI-13025 [1,1,0,0,0,0|2,0,0]=4 690 B9R1.2 COC1=CC(Cl)=CC=C1 PI-31362 [1,1,0,0,0,0|2,0,0]=4 691 B9R1.2 COC1=CC(F)=CC=C1 PI-12220 [1,1,0,0,0,0|2,0,0]=4 692 B9R1.2 COc1cccc(c1)O PI-34658 [1,1,0,0,0,0|2,0,0]=4 693 B9R1.2 CSC1=CC(=CC=C1)Br PI-11915 [1,1,0,0,0,0|2,0,0]=4 694 B9R1.2 CSC1=CC(=CC=C1)Cl PI-20243 [1,1,0,0,0,0|2,0,0]=4 695 B9R1.2 CSc1cccc(c1)N PI-11908 [1,1,0,0,0,0|2,0,0]=4 696 B9R1.2 Clc1cccc(c1)C#N PI-31301 [1,1,0,0,0,0|1,0,1]=4 697 B9R1.2 N#Cc1cccc(F)c1 PI-16864 [1,1,0,0,0,0|1,0,1]=4 698 B9R1.2 N#Cc1cccc(c1)I PI-10114 [1,1,0,0,0,0|1,0,1]=4 699 B9R1.2 NCc1cc(Br)ccn1 PI-39476 [1,1,0,0,0,0|2,0,0]=4 700 B9R1.2 NCc1cccc(Cl)c1 PI-15673 [1,1,0,0,0,0|1,0,0]=3 701 B9R1.2 NCc1cccc(c1)Br PI-21372 [1,1,0,0,0,0|1,0,0]=3 702 B9R1.2 NCc1cccc(c1)Br PI-38545 [1,1,0,0,0,0|1,0,0]=3 703 B9R1.2 NCc1cccc(c1)F PI-23480 [1,1,0,0,0,0|1,0,0]=3 704 B9R1.2 NNc1cccc(c1)Br PI-29422 [1,1,0,0,0,0|2,0,0]=4 705 B9R1.2 NNc1cccc(c1)C PI-29814 [1,1,0,0,0,0|2,0,0]=4 706 B9R1.2 O=Cc1cccc(c1)Br PI-34503 [1,1,0,0,0,0|0,0,2]=4 707 B9R1.2 O=Cc1cccc(c1)Cl PI-27742 [1,1,0,0,0,0|0,0,2]=4 708 B9R1.2 O=Cc1cccc(c1)F PI-11925 [1,1,0,0,0,0|0,0,2]=4 709 B9R1.2 O=Cc1cccc(c1)N PI-11906 [1,1,0,0,0,0|0,0,2]=4 710 B9R1.2 O=Cc1cccc(c1)O PI-34273 [1,1,0,0,0,0|0,0,2]=4 711 B9R1.2 OCC1=CC(C)=NC=C1 PI-36994 [1,1,0,0,0,0|1,0,0]=3 712 B9R1.2 OCC1=CC(N)=CN=C1 PI-35898 [1,1,0,0,0,0|1,0,0]=3 713 B9R1.2 OCc1cccc(c1)C PI-38620 [1,1,0,0,0,0|0,0,0]=2 714 B9R1.2 OCc1cccc(c1)Cl PI-11919 [1,1,0,0,0,0|0,0,0]=2 715 B9R1.2 SCc1cccc(F)c1 PI-23495 [1,1,0,0,0,0|0,1,0]=3 716 B9R1.2 [C-]#[N+]C1=CC(=CC=C1)Br PI-22496 [1,1,0,0,0,0|2,0,0]=4 717 B9R1.6 B(C1=CN=CC=C1)(O)O PI-13311 [1,1,0,0,0,0|2,0,0]=4 718 B9R1.6 C1=CC=C(C=C1)C(=O)Br PI-46923 [1,1,0,0,0,0|0,0,2]=4 719 B9R1.6 C1=CC=NC(=C1)C(=O)O PI-44932 [1,1,0,0,0,0|1,0,1]=4 720 B9R1.6 CC(C)c1ccncc1 PI-16693 [1,1,0,0,0,0|2,0,0]=4 721 B9R1.6 CC(C1=CC=CC=C1)N PI-32638 [1,1,0,0,0,0|1,0,0]=3 722 B9R1.6 CC(c1ccccn1)N PI-38576 [1,1,0,0,0,0|2,0,0]=4 723 B9R1.6 CC(c1ccncc1)N PI-38572 [1,1,0,0,0,0|2,0,0]=4 724 B9R1.6 CN(C1=CC=CC=C1)N PI-29778 [1,1,0,0,0,0|2,0,0]=4 725 B9R1.6 C[C@@H](C1=CC=CC=C1)O PI-50011 [1,1,0,0,0,0|0,0,0]=2 726 B9R1.6 C[C@@H](C1=CC=NC=C1)O PI-49831 [1,1,0,0,0,0|1,0,0]=3 727 B9R1.6 C[C@@H](N)c1ccccn1 PI-36896 [1,1,0,0,0,0|2,0,0]=4 728 B9R1.6 C[C@@H](O)C1=NC=CC=C1 PI-42552 [1,1,0,0,0,0|1,0,0]=3 729 B9R1.6 C[C@@H](c1ccccc1)N PI-11219 [1,1,0,0,0,0|1,0,0]=3 730 B9R1.6 C[C@H](C1=CC=NC=C1)O PI-49830 [1,1,0,0,0,0|1,0,0]=3 731 B9R1.6 C[C@H](O)C1=NC=CC=C1 PI-42531 [1,1,0,0,0,0|1,0,0]=3 732 B9R1.6 C[C@H](c1ccccc1)N PI-11221 [1,1,0,0,0,0|1,0,0]=3 733 B9R1.6 C[C@H](c1ccccc1)O PI-38963 [1,1,0,0,0,0|0,0,0]=2 734 B9R1.6 C[SiH](c1ccccc1)C PI-39122 [1,1,0,0,0,0|1,1,0]=4 735 B9R1.6 FC(c1ccccn1)F PI-35198 [1,1,0,0,0,0|2,0,0]=4 736 B9R1.6 NC(=N)c1ccccc1 PI-30200 [1,1,0,0,0,0|1,0,1]=4 737 B9R1.6 NC(=S)c1ccccc1 PI-29356 [1,1,0,0,0,0|0,1,1]=4 738 B9R1.6 OB(O)c1ccccc1 PI-16480 [1,1,0,0,0,0|1,0,0]=3 739 B9R1.6 OB(c1ccccn1)O PI-25302 [1,1,0,0,0,0|2,0,0]=4 740 B9R1.6 OB(c1ccncc1)O PI-16484 [1,1,0,0,0,0|2,0,0]=4 741 B9R1.6 OC(=O)c1cccnc1 PI-15824 [1,1,0,0,0,0|1,0,1]=4 742 B9R1.8 BrC#Cc1ccccc1 PI-38808 [1,1,0,0,0,0|1,0,1]=4 743 B9R1.8 C1=CC(=CN=C1)CCO PI-20772 [1,1,0,0,0,0|1,0,0]=3 744 B9R1.8 C1=CC=C(C=C1)C=CBr PI-12915 [1,1,0,0,0,0|1,0,1]=4 745 B9R1.8 C1=CC=C(C=C1)CCS PI-48520 [1,1,0,0,0,0|0,1,0]=3 746 B9R1.8 C1=CC=C(C=C1)CNN PI-12194 [1,1,0,0,0,0|1,0,0]=3 747 B9R1.8 C1=CC=C(C=C1)CNN PI-12195 [1,1,0,0,0,0|1,0,0]=3 748 B9R1.8 C1=CC=C(C=C1)CON PI-48767 [1,1,0,0,0,0|0,0,0]=2 749 B9R1.8 C1=CC=NC(=C1)CCN PI-33890 [1,1,0,0,0,0|2,0,0]=4 750 B9R1.8 C1=CC=[N+](C=C1)CC#N PI-30212 [1,1,0,0,0,0|2,0,0]=4 751 B9R1.8 C1=CN=CC=C1C=NO PI-41016 [1,1,0,0,0,0|1,0,1]=4 752 B9R1.8 C=CCC1=CC=CC=C1 PI-36465 [1,1,0,0,0,0|1,0,0]=3 753 B9R1.8 CC#CC1=CC=CC=C1 PI-48954 [1,1,0,0,0,0|1,0,1]=4 754 B9R1.8 CCCC1=CC=CC=N1 PI-13326 [1,1,0,0,0,0|2,0,0]=4 755 B9R1.8 CCCC1=CC=NC=C1 PI-28052 [1,1,0,0,0,0|2,0,0]=4 756 B9R1.8 CCC[N+]1=CC=CC=C1 PI-13348 [1,1,0,0,0,0|2,0,0]=4 757 B9R1.8 CCOC1=CC=CC=N1 PI-16377 [1,1,0,0,0,0|2,0,0]=4 758 B9R1.8 CCOC1=CC=NC=C1 PI-16378 [1,1,0,0,0,0|2,0,0]=4 759 B9R1.8 CNCC1=CC=CN=C1 PI-46624 [1,1,0,0,0,0|2,0,0]=4 760 B9R1.8 COCC1=CC=CC=C1 PI-19695 [1,1,0,0,0,0|0,0,0]=2 761 B9R1.8 COCc1ccccn1 PI-38670 [1,1,0,0,0,0|1,0,0]=3 762 B9R1.8 C\C=C\C1=CC=CC=C1 PI-42685 [1,1,0,0,0,0|1,0,1]=4 763 B9R1.8 C\C=C\C1=CC=CC=C1 PI-46536 [1,1,0,0,0,0|1,0,1]=4 764 B9R1.8 N#CCc1ccccn1 PI-16690 [1,1,0,0,0,0|2,0,0]=4 765 B9R1.8 N#CCc1cccnc1 PI-32834 [1,1,0,0,0,0|2,0,0]=4 766 B9R1.8 N#CCc1ccncc1 PI-10376 [1,1,0,0,0,0|2,0,0]=4 767 B9R1.8 NCCc1cccnc1 PI-23439 [1,1,0,0,0,0|2,0,0]=4 768 B9R1.8 NCCc1ccncc1 PI-15907 [1,1,0,0,0,0|2,0,0]=4 769 B9R1.8 NOCc1ccccc1 PI-11329 [1,1,0,0,0,0|0,0,0]=2 770 B9R1.8 OCCC1=CC=NC=C1 PI-27680 [1,1,0,0,0,0|1,0,0]=3 771 B9R1.8 ONCC1=CC=CC=C1 PI-42266 [1,1,0,0,0,0|0,0,0]=2 772 B9R1.8 O\N=C\c1ccccn1 PI-38007 [1,1,0,0,0,0|1,0,1]=4 773 B9R1.15 BrCc1ccccc1Br PI-11809 [1,1,0,0,0,0|1,0,0]=3 774 B9R1.15 BrCc1ccccc1I PI-29573 [1,1,0,0,0,0|1,0,0]=3 775 B9R1.15 C#CC1=CC=CC=C1Cl PI-30962 [1,1,0,0,0,0|1,0,1]=4 776 B9R1.15 C#CC1=CC=CC=C1F PI-30912 [1,1,0,0,0,0|1,0,1]=4 777 B9R1.15 C#Cc1ccccc1Br PI-30911 [1,1,0,0,0,0|1,0,1]=4 778 B9R1.15 C1=CC(=C(N=C1)CBr)Br PI-47183 [1,1,0,0,0,0|2,0,0]=4 779 B9R1.15 C1=CC(=C(N=C1)CN)F PI-49343 [1,1,0,0,0,0|2,0,0]=4 780 B9R1.15 C1=CC(=C(N=C1)CO)Br PI-44198 [1,1,0,0,0,0|1,0,0]=3 781 B9R1.15 C1=CC(=C(N=C1)CO)O PI-16743 [1,1,0,0,0,0|1,0,0]=3 782 B9R1.15 C1=CC(=C(N=C1)Cl)CO PI-33153 [1,1,0,0,0,0|1,0,0]=3 783 B9R1.15 C1=CC=C(C(=C1)C#N)I PI-10113 [1,1,0,0,0,0|1,0,1]=4 784 B9R1.15 C1=CC=C(C(=C1)C=O)Br PI-11807 [1,1,0,0,0,0|0,0,2]=4 785 B9R1.15 C1=CC=C(C(=C1)CBr)Cl PI-11821 [1,1,0,0,0,0|1,0,0]=3 786 B9R1.15 C1=CC=C(C(=C1)CBr)F PI-28536 [1,1,0,0,0,0|1,0,0]=3 787 B9R1.15 C1=CC=C(C(=C1)CCl)F PI-34128 [1,1,0,0,0,0|1,0,0]=3 788 B9R1.15 C1=CC=C(C(=C1)CN)Br PI-11810 [1,1,0,0,0,0|1,0,0]=3 789 B9R1.15 C1=CC=C(C(=C1)CN)Cl PI-11822 [1,1,0,0,0,0|1,0,0]=3 790 B9R1.15 C1=CC=C(C(=C1)CN)F PI-31326 [1,1,0,0,0,0|1,0,0]=3 791 B9R1.15 C1=CC=C(C(=C1)CO)Br PI-30250 [1,1,0,0,0,0|0,0,0]=2 792 B9R1.15 C1=CC=C(C(=C1)CO)Cl PI-23166 [1,1,0,0,0,0|0,0,0]=2 793 B9R1.15 C1=CC=C(C(=C1)CO)N PI-11798 [1,1,0,0,0,0|0,0,0]=2 794 B9R1.15 C1=CC=C(C(=C1)CS)Br PI-20548 [1,1,0,0,0,0|0,1,0]=3 795 B9R1.15 C1=CC=C(C(=C1)CS)Cl PI-11007 [1,1,0,0,0,0|0,1,0]=3 796 B9R1.15 C1=CC=C(C(=C1)NN)Br PI-11813 [1,1,0,0,0,0|2,0,0]=4 797 B9R1.15 C1=CC=C(C(=C1)NN)Cl PI-29581 [1,1,0,0,0,0|2,0,0]=4 798 B9R1.15 C1=CC=C(C(=C1)NN)F PI-16908 [1,1,0,0,0,0|2,0,0]=4 799 B9R1.15 C1=CC=C(C(=C1)NN)F PI-31140 [1,1,0,0,0,0|2,0,0]=4 800 B9R1.15 C1=CN=CC(=C1Cl)CO PI-34716 [1,1,0,0,0,0|1,0,0]=3 801 B9R1.15 C=CC1=CC=CC=C1Br PI-14519 [1,1,0,0,0,0|1,0,1]=4 802 B9R1.15 C=Cc1ccccc1F PI-33746 [1,1,0,0,0,0|1,0,1]=4 803 B9R1.15 CC1=CC=CC=C1C=O PI-27677 [1,1,0,0,0,0|0,0,2]=4 804 B9R1.15 CCC1=CC=CC=C1Br PI-19276 [1,1,0,0,0,0|1,0,0]=3 805 B9R1.15 CCC1=CC=CC=C1Cl PI-19970 [1,1,0,0,0,0|1,0,0]=3 806 B9R1.15 CCC1=CC=CC=C1I PI-19242 [1,1,0,0,0,0|1,0,0]=3 807 B9R1.15 CC[N+]1=CC=CC=C1Br PI-14423 [1,1,0,0,0,0|2,0,0]=4 808 B9R1.15 CC[N+]1=CC=CC=C1C PI-39505 [1,1,0,0,0,0|2,0,0]=4 809 B9R1.15 CCc1ccccc1C PI-36541 [1,1,0,0,0,0|1,0,0]=3 810 B9R1.15 CNC1=CC=CC=C1F PI-28236 [1,1,0,0,0,0|2,0,0]=4 811 B9R1.15 CNC1=CC=CC=C1N PI-23401 [1,1,0,0,0,0|2,0,0]=4 812 B9R1.15 CNC1=CC=CC=C1N PI-28564 [1,1,0,0,0,0|2,0,0]=4 813 B9R1.15 COC1=CC=CC=C1Br PI-34200 [1,1,0,0,0,0|2,0,0]=4 814 B9R1.15 COC1=CC=CC=C1Cl PI-34199 [1,1,0,0,0,0|2,0,0]=4 815 B9R1.15 COC1=CC=CC=C1F PI-12348 [1,1,0,0,0,0|2,0,0]=4 816 B9R1.15 COC1=CC=CC=C1I PI-50209 [1,1,0,0,0,0|2,0,0]=4 817 B9R1.15 COc1ccccc1S PI-21364 [1,1,0,0,0,0|2,0,0]=4 818 B9R1.15 CSC1=CC=CC=C1Br PI-11815 [1,1,0,0,0,0|2,0,0]=4 819 B9R1.15 CSC1=CC=CC=C1Cl PI-11833 [1,1,0,0,0,0|2,0,0]=4 820 B9R1.15 CSC1=CC=CC=C1F PI-11849 [1,1,0,0,0,0|2,0,0]=4 821 B9R1.15 CSC1=CC=CC=C1O PI-20874 [1,1,0,0,0,0|2,0,0]=4 822 B9R1.15 CSc1ccccc1I PI-13705 [1,1,0,0,0,0|2,0,0]=4 823 B9R1.15 N#Cc1ccccc1Br PI-11808 [1,1,0,0,0,0|1,0,1]=4 824 B9R1.15 N#Cc1ccccc1Cl PI-34735 [1,1,0,0,0,0|1,0,1]=4 825 B9R1.15 N#Cc1ccccc1F PI-27555 [1,1,0,0,0,0|1,0,1]=4 826 B9R1.15 N#Cc1ccccc1N PI-11517 [1,1,0,0,0,0|1,0,1]=4 827 B9R1.15 N#Cc1ccccc1O PI-11836 [1,1,0,0,0,0|1,0,1]=4 828 B9R1.15 NCc1ccccc1Br PI-38543 [1,1,0,0,0,0|1,0,0]=3 829 B9R1.15 NCc1ncccc1C PI-36263 [1,1,0,0,0,0|2,0,0]=4 830 B9R1.15 NNc1ccccc1C PI-29808 [1,1,0,0,0,0|2,0,0]=4 831 B9R1.15 O=CC1=CC=CC=C1I PI-27403 [1,1,0,0,0,0|0,0,2]=4 832 B9R1.15 O=Cc1ccccc1Cl PI-34387 [1,1,0,0,0,0|0,0,2]=4 833 B9R1.15 O=Cc1ccccc1F PI-27600 [1,1,0,0,0,0|0,0,2]=4 834 B9R1.15 OCc1ccccc1F PI-28537 [1,1,0,0,0,0|0,0,0]=2 835 B9R1.15 OCc1ccccc1O PI-36548 [1,1,0,0,0,0|0,0,0]=2 836 B9R1.15 OCc1cccnc1N PI-33953 [1,1,0,0,0,0|1,0,0]=3 837 B9R1.15 SCc1ccccc1F PI-23494 [1,1,0,0,0,0|0,1,0]=3 838 B9R1.15 [C-]#[N+]c1ccccc1Br PI-22495 [1,1,0,0,0,0|2,0,0]=4 839 B9R1.69 BrC1=CC(=C(C=C1)C)Cl PI-20673 [1,1,0,0,0,0|1,0,0]=3 840 B9R1.69 BrC1=CN=C(C(=C1)C)C PI-41495 [1,1,0,0,0,0|2,0,0]=4 841 B9R1.69 Brc1ccc(N)c(C)c1 PI-11003 [1,1,0,0,0,0|2,0,0]=4 842 B9R1.69 Brc1ccc(N)c(N)c1 PI-34413 [1,1,0,0,0,0|2,0,0]=4 843 B9R1.69 Brc1ccc(c(c1)Br)F PI-28149 [1,1,0,0,0,0|2,0,0]=4 844 B9R1.69 Brc1ccc(c(c1)C)I PI-21533 [1,1,0,0,0,0|2,0,0]=4 845 B9R1.69 Brc1ccc(c(c1)F)Br PI-20968 [1,1,0,0,0,0|2,0,0]=4 846 B9R1.69 Brc1ccc(c(c1)F)Cl PI-28679 [1,1,0,0,0,0|2,0,0]=4 847 B9R1.69 Brc1ccc(c(c1)F)F PI-10759 [1,1,0,0,0,0|2,0,0]=4 848 B9R1.69 Brc1ccc(c(c1)F)O PI-31106 [1,1,0,0,0,0|1,0,0]=3 849 B9R1.69 Brc1ccc(c(c1)N)F PI-21432 [1,1,0,0,0,0|2,0,0]=4 850 B9R1.69 Brc1ccc(c(c1)O)F PI-33069 [1,1,0,0,0,0|2,0,0]=4 851 B9R1.69 C1=C(C(=CC=C1Br)O)C PI-22157 [1,1,0,0,0,0|1,0,0]=3 852 B9R1.69 C1=C(C(=CC=C1F)O)C PI-16986 [1,1,0,0,0,0|1,0,0]=3 853 B9R1.69 C1=C(C(=CN=C1Cl)O)N PI-43996 [1,1,0,0,0,0|2,0,0]=4 854 B9R1.69 C1=CC(=C(C=C1Br)Cl)Cl PI-21594 [1,1,0,0,0,0|2,0,0]=4 855 B9R1.69 C1=CC(=C(C=C1Br)Cl)I PI-20639 [1,1,0,0,0,0|2,0,0]=4 856 B9R1.69 C1=CC(=C(C=C1Br)Cl)N PI-20600 [1,1,0,0,0,0|2,0,0]=4 857 B9R1.69 C1=CC(=C(C=C1Br)F)N PI-21433 [1,1,0,0,0,0|2,0,0]=4 858 B9R1.69 C1=CC(=C(C=C1Br)F)N PI-32450 [1,1,0,0,0,0|2,0,0]=4 859 B9R1.69 C1=CC(=C(C=C1Br)N)O PI-33346 [1,1,0,0,0,0|1,0,0]=3 860 B9R1.69 C1=CC(=C(C=C1Br)O)Cl PI-32432 [1,1,0,0,0,0|2,0,0]=4 861 B9R1.69 C1=CC(=C(C=C1Cl)Br)O PI-33867 [1,1,0,0,0,0|1,0,0]=3 862 B9R1.69 C1=CC(=C(C=C1Cl)Cl)Br PI-21592 [1,1,0,0,0,0|2,0,0]=4 863 B9R1.69 C1=CC(=C(C=C1Cl)Cl)F PI-16889 [1,1,0,0,0,0|2,0,0]=4 864 B9R1.69 C1=CC(=C(C=C1Cl)Cl)S PI-21086 [1,1,0,0,0,0|1,1,0]=4 865 B9R1.69 C1=CC(=C(C=C1Cl)F)Cl PI-16933 [1,1,0,0,0,0|2,0,0]=4 866 B9R1.69 C1=CC(=C(C=C1Cl)F)I PI-20092 [1,1,0,0,0,0|2,0,0]=4 867 B9R1.69 C1=CC(=C(C=C1Cl)F)N PI-31238 [1,1,0,0,0,0|2,0,0]=4 868 B9R1.69 C1=CC(=C(C=C1Cl)F)O PI-28420 [1,1,0,0,0,0|1,0,0]=3 869 B9R1.69 C1=CC(=C(C=C1Cl)I)Cl PI-21046 [1,1,0,0,0,0|2,0,0]=4 870 B9R1.69 C1=CC(=C(C=C1Cl)N)F PI-28267 [1,1,0,0,0,0|2,0,0]=4 871 B9R1.69 C1=CC(=C(C=C1Cl)N)N PI-16272 [1,1,0,0,0,0|2,0,0]=4 872 B9R1.69 C1=CC(=C(C=C1Cl)O)Br PI-34266 [1,1,0,0,0,0|2,0,0]=4 873 B9R1.69 C1=CC(=C(C=C1Cl)O)N PI-11790 [1,1,0,0,0,0|2,0,0]=4 874 B9R1.69 C1=CC(=C(C=C1Cl)S)Cl PI-21357 [1,1,0,0,0,0|2,0,0]=4 875 B9R1.69 C1=CC(=C(C=C1F)Br)Br PI-20967 [1,1,0,0,0,0|2,0,0]=4 876 B9R1.69 C1=CC(=C(C=C1F)Br)Cl PI-20627 [1,1,0,0,0,0|2,0,0]=4 877 B9R1.69 C1=CC(=C(C=C1F)Br)F PI-28496 [1,1,0,0,0,0|2,0,0]=4 878 B9R1.69 C1=CC(=C(C=C1F)Br)N PI-16538 [1,1,0,0,0,0|2,0,0]=4 879 B9R1.69 C1=CC(=C(C=C1F)Cl)Br PI-20629 [1,1,0,0,0,0|2,0,0]=4 880 B9R1.69 C1=CC(=C(C=C1F)Cl)Cl PI-16890 [1,1,0,0,0,0|2,0,0]=4 881 B9R1.69 C1=CC(=C(C=C1F)Cl)O PI-16901 [1,1,0,0,0,0|1,0,0]=3 882 B9R1.69 C1=CC(=C(C=C1F)F)Cl PI-16888 [1,1,0,0,0,0|2,0,0]=4 883 B9R1.69 C1=CC(=C(C=C1F)F)O PI-16940 [1,1,0,0,0,0|1,0,0]=3 884 B9R1.69 C1=CC(=C(C=C1F)I)Br PI-14444 [1,1,0,0,0,0|2,0,0]=4 885 B9R1.69 C1=CC(=C(C=C1F)I)N PI-10294 [1,1,0,0,0,0|2,0,0]=4 886 B9R1.69 C1=CC(=C(C=C1F)N)Cl PI-28546 [1,1,0,0,0,0|2,0,0]=4 887 B9R1.69 C1=CC(=C(C=C1F)N)I PI-10621 [1,1,0,0,0,0|2,0,0]=4 888 B9R1.69 C1=CC(=C(C=C1F)N)N PI-30535 [1,1,0,0,0,0|2,0,0]=4 889 B9R1.69 C1=CC(=C(C=C1F)O)N PI-28627 [1,1,0,0,0,0|2,0,0]=4 890 B9R1.69 C1=CC(=C(C=C1I)Cl)Cl PI-30279 [1,1,0,0,0,0|2,0,0]=4 891 B9R1.69 C1=CC(=C(C=C1I)Cl)F PI-17308 [1,1,0,0,0,0|2,0,0]=4 892 B9R1.69 C1=CC(=C(C=C1I)Cl)N PI-12088 [1,1,0,0,0,0|2,0,0]=4 893 B9R1.69 C1=CC(=C(C=C1I)F)F PI-28714 [1,1,0,0,0,0|2,0,0]=4 894 B9R1.69 C1=CC(=C(C=C1I)F)N PI-16385 [1,1,0,0,0,0|2,0,0]=4 895 B9R1.69 C1=CC(=C(C=C1I)F)O PI-43132 [1,1,0,0,0,0|1,0,0]=3 896 B9R1.69 C1=CC(=C(C=C1N)Cl)F PI-15213 [1,1,0,0,0,0|2,0,0]=4 897 B9R1.69 C1=CC(=C(C=C1N)Cl)N PI-30776 [1,1,0,0,0,0|2,0,0]=4 898 B9R1.69 C1=CC(=C(C=C1N)F)Cl PI-28447 [1,1,0,0,0,0|2,0,0]=4 899 B9R1.69 C1=CC(=C(C=C1N)I)N PI-34733 [1,1,0,0,0,0|2,0,0]=4 900 B9R1.69 C1=CC(=C(C=C1N)N)F PI-28702 [1,1,0,0,0,0|2,0,0]=4 901 B9R1.69 C1=CC(=C(C=C1N)N)N PI-30777 [1,1,0,0,0,0|2,0,0]=4 902 B9R1.69 C1=CC(=C(C=C1O)Cl)F PI-16912 [1,1,0,0,0,0|1,0,0]=3 903 B9R1.69 C1=CC(=C(C=C1O)F)Cl PI-10651 [1,1,0,0,0,0|1,0,0]=3 904 B9R1.69 C1=CC(=C(C=C1O)F)N PI-16958 [1,1,0,0,0,0|1,0,0]=3 905 B9R1.69 C1=CC(=C(C=C1S)Cl)Cl PI-21087 [1,1,0,0,0,0|1,1,0]=4 906 B9R1.69 C1=CC(=C(C=C1S)Cl)F PI-20118 [1,1,0,0,0,0|1,1,0]=4 907 B9R1.69 C1=CC(=C(C=C1S)F)F PI-28680 [1,1,0,0,0,0|1,1,0]=4 908 B9R1.69 C1=CC(=C(C=C1S)S)Cl PI-11011 [1,1,0,0,0,0|1,1,0]=4 909 B9R1.69 C1=CC(=O)C(=CC1=O)Cl PI-17305 [1,1,0,0,0,0|0,0,2]=4 910 B9R1.69 CC1=C(C=C(C=C1)Br)N PI-31358 [1,1,0,0,0,0|1,0,0]=3 911 B9R1.69 CC1=C(C=C(C=C1)Cl)Br PI-20668 [1,1,0,0,0,0|1,0,0]=3 912 B9R1.69 CC1=C(C=C(C=C1)Cl)F PI-16988 [1,1,0,0,0,0|1,0,0]=3 913 B9R1.69 CC1=C(C=C(C=C1)Cl)I PI-19456 [1,1,0,0,0,0|1,0,0]=3 914 B9R1.69 CC1=C(C=C(C=C1)Cl)O PI-28617 [1,1,0,0,0,0|1,0,0]=3 915 B9R1.69 CC1=C(C=C(C=C1)F)C PI-11592 [1,1,0,0,0,0|1,0,0]=3 916 B9R1.69 CC1=C(C=C(C=C1)F)Cl PI-28544 [1,1,0,0,0,0|1,0,0]=3 917 B9R1.69 CC1=C(C=C(C=C1)F)F PI-28545 [1,1,0,0,0,0|1,0,0]=3 918 B9R1.69 CC1=C(C=C(C=C1)F)I PI-10676 [1,1,0,0,0,0|1,0,0]=3 919 B9R1.69 CC1=C(C=C(C=C1)F)N PI-16382 [1,1,0,0,0,0|1,0,0]=3 920 B9R1.69 CC1=C(C=C(C=C1)I)F PI-10672 [1,1,0,0,0,0|1,0,0]=3 921 B9R1.69 CC1=C(C=C(C=C1)I)N PI-19927 [1,1,0,0,0,0|1,0,0]=3 922 B9R1.69 CC1=C(C=C(C=C1)N)Br PI-10966 [1,1,0,0,0,0|1,0,0]=3 923 B9R1.69 CC1=C(C=C(C=C1)N)Cl PI-34322 [1,1,0,0,0,0|1,0,0]=3 924 B9R1.69 CC1=C(C=C(C=C1)N)F PI-16383 [1,1,0,0,0,0|1,0,0]=3 925 B9R1.69 CC1=C(C=C(C=C1)N)I PI-19496 [1,1,0,0,0,0|1,0,0]=3 926 B9R1.69 CC1=C(C=C(C=C1)N)O PI-11314 [1,1,0,0,0,0|1,0,0]=3 927 B9R1.69 CC1=C(C=C(C=C1)O)N PI-11312 [1,1,0,0,0,0|0,0,0]=2 928 B9R1.69 CC1=C(C=C(C=C1)S)C PI-11009 [1,1,0,0,0,0|0,1,0]=3 929 B9R1.69 CC1=C(C=C(C=N1)Br)N PI-40246 [1,1,0,0,0,0|2,0,0]=4 930 B9R1.69 CC1=C(C=CC(=C1)Br)Cl PI-20675 [1,1,0,0,0,0|2,0,0]=4 931 B9R1.69 CC1=C(C=CC(=C1)Br)F PI-31216 [1,1,0,0,0,0|2,0,0]=4 932 B9R1.69 CC1=C(C=CC(=C1)Cl)F PI-28542 [1,1,0,0,0,0|2,0,0]=4 933 B9R1.69 CC1=C(C=CC(=C1)Cl)N PI-34323 [1,1,0,0,0,0|2,0,0]=4 934 B9R1.69 CC1=C(C=CC(=C1)Cl)O PI-11333 [1,1,0,0,0,0|1,0,0]=3 935 B9R1.69 CC1=C(C=CC(=C1)F)Br PI-16983 [1,1,0,0,0,0|2,0,0]=4 936 B9R1.69 CC1=C(C=CC(=C1)F)Cl PI-16931 [1,1,0,0,0,0|2,0,0]=4 937 B9R1.69 CC1=C(C=CC(=C1)F)F PI-28543 [1,1,0,0,0,0|2,0,0]=4 938 B9R1.69 CC1=C(C=CC(=C1)F)I PI-10678 [1,1,0,0,0,0|2,0,0]=4 939 B9R1.69 CC1=C(C=CC(=C1)F)N PI-16985 [1,1,0,0,0,0|2,0,0]=4 940 B9R1.69 CC1=C(C=CC(=C1)I)Cl PI-19072 [1,1,0,0,0,0|2,0,0]=4 941 B9R1.69 CC1=C(C=CC(=C1)I)F PI-10673 [1,1,0,0,0,0|2,0,0]=4 942 B9R1.69 CC1=C(C=CC(=C1)I)N PI-30113 [1,1,0,0,0,0|2,0,0]=4 943 B9R1.69 CC1=C(C=CC(=C1)N)Cl PI-24577 [1,1,0,0,0,0|2,0,0]=4 944 B9R1.69 CC1=C(C=CC(=C1)N)F PI-16984 [1,1,0,0,0,0|2,0,0]=4 945 B9R1.69 CC1=C(C=CC(=C1)N)O PI-10082 [1,1,0,0,0,0|1,0,0]=3 946 B9R1.69 CC1=C(C=CC(=C1)O)F PI-10655 [1,1,0,0,0,0|1,0,0]=3 947 B9R1.69 CC1=C(C=CC(=C1)O)N PI-11473 [1,1,0,0,0,0|1,0,0]=3 948 B9R1.69 CC1=C(C=CC(=C1)S)F PI-23789 [1,1,0,0,0,0|1,1,0]=4 949 B9R1.69 CC1=C(N=C(C=C1)N)Cl PI-39853 [1,1,0,0,0,0|2,0,0]=4 950 B9R1.69 CC1=CC(=C(C=C1)Br)Cl PI-20674 [1,1,0,0,0,0|1,0,0]=3 951 B9R1.69 CC1=CC(=C(C=C1)C)O PI-33176 [1,1,0,0,0,0|1,0,0]=3 952 B9R1.69 CC1=CC(=C(C=C1)C)S PI-21355 [1,1,0,0,0,0|1,0,0]=3 953 B9R1.69 CC1=CC(=C(C=C1)Cl)Br PI-20672 [1,1,0,0,0,0|1,0,0]=3 954 B9R1.69 CC1=CC(=C(C=C1)Cl)C PI-24680 [1,1,0,0,0,0|1,0,0]=3 955 B9R1.69 CC1=CC(=C(C=C1)Cl)F PI-10669 [1,1,0,0,0,0|1,0,0]=3 956 B9R1.69 CC1=CC(=C(C=C1)Cl)N PI-17325 [1,1,0,0,0,0|1,0,0]=3 957 B9R1.69 CC1=CC(=C(C=C1)Cl)O PI-42096 [1,1,0,0,0,0|1,0,0]=3 958 B9R1.69 CC1=CC(=C(C=C1)F)Cl PI-10668 [1,1,0,0,0,0|1,0,0]=3 959 B9R1.69 CC1=CC(=C(C=C1)F)F PI-16918 [1,1,0,0,0,0|1,0,0]=3 960 B9R1.69 CC1=CC(=C(C=C1)F)I PI-10677 [1,1,0,0,0,0|1,0,0]=3 961 B9R1.69 CC1=CC(=C(C=C1)F)N PI-16989 [1,1,0,0,0,0|1,0,0]=3 962 B9R1.69 CC1=CC(=C(C=C1)F)O PI-10653 [1,1,0,0,0,0|1,0,0]=3 963 B9R1.69 CC1=CC(=C(C=C1)I)Br PI-21532 [1,1,0,0,0,0|1,0,0]=3 964 B9R1.69 CC1=CC(=C(C=C1)I)Cl PI-19073 [1,1,0,0,0,0|1,0,0]=3 965 B9R1.69 CC1=CC(=C(C=C1)I)F PI-10675 [1,1,0,0,0,0|1,0,0]=3 966 B9R1.69 CC1=CC(=C(C=C1)I)I PI-19174 [1,1,0,0,0,0|1,0,0]=3 967 B9R1.69 CC1=CC(=C(C=C1)N)C PI-27338 [1,1,0,0,0,0|1,0,0]=3 968 B9R1.69 CC1=CC(=C(C=C1)N)Cl PI-20150 [1,1,0,0,0,0|1,0,0]=3 969 B9R1.69 CC1=CC(=C(C=C1)N)O PI-28344 [1,1,0,0,0,0|1,0,0]=3 970 B9R1.69 CC1=CC(=C(C=C1)N)S PI-41435 [1,1,0,0,0,0|1,0,0]=3 971 B9R1.69 CC1=CC(=C(C=C1)O)Cl PI-19823 [1,1,0,0,0,0|0,0,0]=2 972 B9R1.69 CC1=CC(=C(C=C1)O)N PI-44624 [1,1,0,0,0,0|0,0,0]=2 973 B9R1.69 CC1=CC(=C(C=C1)S)C PI-21999 [1,1,0,0,0,0|0,1,0]=3 974 B9R1.69 CC1=CC(=C(C=C1)[S-])[S-] PI-30102 [1,1,0,0,0,0|0,1,0]=3 975 B9R1.69 CC1=CC(=C(C=C1)[S-])[S-] PI-30441 [1,1,0,0,0,0|0,1,0]=3 976 B9R1.69 CC1=CC(=C(N=C1)C)C PI-16692 [1,1,0,0,0,0|2,0,0]=4 977 B9R1.69 CC1=CC(=C(N=C1)Cl)F PI-16765 [1,1,0,0,0,0|2,0,0]=4 978 B9R1.69 CC1=CC(=C(N=C1)Cl)N PI-30504 [1,1,0,0,0,0|2,0,0]=4 979 B9R1.69 CC1=CC(=C(N=C1)F)Br PI-34448 [1,1,0,0,0,0|2,0,0]=4 980 B9R1.69 CC1=CC(=C(N=C1)N)Br PI-24152 [1,1,0,0,0,0|2,0,0]=4 981 B9R1.69 CC1=CC=C(F)C(Br)=N1 PI-40471 [1,1,0,0,0,0|2,0,0]=4 982 B9R1.69 CC1=NC(=C(C=C1)Br)Cl PI-44133 [1,1,0,0,0,0|2,0,0]=4 983 B9R1.69 CC1=NC(=C(C=C1)Br)N PI-30104 [1,1,0,0,0,0|2,0,0]=4 984 B9R1.69 CC1=NC(=C(C=C1)I)F PI-34430 [1,1,0,0,0,0|2,0,0]=4 985 B9R1.69 CC1=NC(=C(C=C1)N)Br PI-27124 [1,1,0,0,0,0|2,0,0]=4 986 B9R1.69 CC1=NC(=C(C=C1)N)C PI-16694 [1,1,0,0,0,0|2,0,0]=4 987 B9R1.69 CC1=NC(=C(C=C1)N)C PI-33783 [1,1,0,0,0,0|2,0,0]=4 988 B9R1.69 CC1=NC(=C(C=C1)N)F PI-24368 [1,1,0,0,0,0|2,0,0]=4 989 B9R1.69 CC1=NC(=C(C=C1)O)C PI-21953 [1,1,0,0,0,0|1,0,0]=3 990 B9R1.69 CC1=[N+](C=C(C=C1)Br)[O-] PI-34301 [1,1,0,0,0,0|2,0,0]=4 991 B9R1.69 CN1C=CC(=CC1=O)Br PI-40242 [1,1,0,0,0,0|2,0,0]=4 992 B9R1.69 Cc1ccc(Br)cc1F PI-31215 [1,1,0,0,0,0|1,0,0]=3 993 B9R1.69 Cc1ccc(I)c(N)c1 PI-13704 [1,1,0,0,0,0|1,0,0]=3 994 B9R1.69 Cc1ccc(N)c(Br)c1 PI-21582 [1,1,0,0,0,0|1,0,0]=3 995 B9R1.69 Cc1ccc(c(c1)Br)F PI-28541 [1,1,0,0,0,0|1,0,0]=3 996 B9R1.69 Cc1ccc(c(c1)C)Br PI-38906 [1,1,0,0,0,0|1,0,0]=3 997 B9R1.69 Cc1ccc(c(c1)F)Br PI-16987 [1,1,0,0,0,0|1,0,0]=3 998 B9R1.69 Cc1ccc(c(c1)F)N PI-16381 [1,1,0,0,0,0|1,0,0]=3 999 B9R1.69 Cc1ccc(c(c1)N)Br PI-32614 [1,1,0,0,0,0|1,0,0]=3 1000 B9R1.69 Cc1ccc(c(c1)N)N PI-33398 [1,1,0,0,0,0|1,0,0]=3 1001 B9R1.69 Cc1ccc(c(c1)O)O PI-11188 [1,1,0,0,0,0|0,0,0]=2 1002 B9R1.69 Cc1ccc(c(n1)C)Br PI-14419 [1,1,0,0,0,0|2,0,0]=4 1003 B9R1.69 Cc1ccc(c(n1)Cl)N PI-30570 [1,1,0,0,0,0|2,0,0]=4 1004 B9R1.69 Cc1cnc(Br)c(F)c1 PI-34446 [1,1,0,0,0,0|2,0,0]=4 1005 B9R1.69 Cc1cnc(c(c1)I)F PI-32874 [1,1,0,0,0,0|2,0,0]=4 1006 B9R1.69 Cc1ncc(c(c1)C)N PI-38589 [1,1,0,0,0,0|2,0,0]=4 1007 B9R1.69 ClC1=CC(=C(C=C1)F)O PI-10650 [1,1,0,0,0,0|2,0,0]=4 1008 B9R1.69 ClC1=CC(I)=CC=C1Br PI-41927 [1,1,0,0,0,0|2,0,0]=4 1009 B9R1.69 Clc1ccc(c(c1)Br)Cl PI-21593 [1,1,0,0,0,0|2,0,0]=4 1010 B9R1.69 Clc1ccc(c(c1)Br)F PI-20628 [1,1,0,0,0,0|2,0,0]=4 1011 B9R1.69 Clc1ccc(c(c1)Br)I PI-38902 [1,1,0,0,0,0|2,0,0]=4 1012 B9R1.69 Clc1ccc(c(c1)Br)N PI-21370 [1,1,0,0,0,0|2,0,0]=4 1013 B9R1.69 Clc1ccc(c(c1)C)Br PI-20669 [1,1,0,0,0,0|2,0,0]=4 1014 B9R1.69 Clc1ccc(c(c1)C)C PI-11593 [1,1,0,0,0,0|1,0,0]=3 1015 B9R1.69 Clc1ccc(c(c1)C)I PI-30351 [1,1,0,0,0,0|2,0,0]=4 1016 B9R1.69 Clc1ccc(c(c1)F)Br PI-20626 [1,1,0,0,0,0|2,0,0]=4 1017 B9R1.69 Clc1ccc(c(c1)F)F PI-12302 [1,1,0,0,0,0|2,0,0]=4 1018 B9R1.69 Clc1ccc(c(c1)N)S PI-14245 [1,1,0,0,0,0|1,1,0]=4 1019 B9R1.69 Clc1ccc(c(c1)O)O PI-11978 [1,1,0,0,0,0|1,0,0]=3 1020 B9R1.69 Fc1ccc(C)c(S)c1 PI-23790 [1,1,0,0,0,0|1,0,0]=3 1021 B9R1.69 Fc1ccc(I)c(Br)c1 PI-14445 [1,1,0,0,0,0|2,0,0]=4 1022 B9R1.69 Fc1ccc(N)c(F)c1 PI-15215 [1,1,0,0,0,0|2,0,0]=4 1023 B9R1.69 Fc1ccc(S)c(C)c1 PI-23788 [1,1,0,0,0,0|1,1,0]=4 1024 B9R1.69 Fc1ccc(c(c1)Br)C PI-16886 [1,1,0,0,0,0|1,0,0]=3 1025 B9R1.69 Fc1ccc(c(c1)Br)O PI-21470 [1,1,0,0,0,0|1,0,0]=3 1026 B9R1.69 Fc1ccc(c(c1)Cl)F PI-28303 [1,1,0,0,0,0|2,0,0]=4 1027 B9R1.69 Fc1ccc(c(c1)Cl)S PI-20117 [1,1,0,0,0,0|1,1,0]=4 1028 B9R1.69 Fc1ccc(c(c1)F)Br PI-32222 [1,1,0,0,0,0|2,0,0]=4 1029 B9R1.69 Fc1ccc(c(c1)F)F PI-10729 [1,1,0,0,0,0|2,0,0]=4 1030 B9R1.69 Fc1ccc(c(c1)F)S PI-16902 [1,1,0,0,0,0|1,1,0]=4 1031 B9R1.69 Fc1ccc(c(c1)N)Br PI-10617 [1,1,0,0,0,0|2,0,0]=4 1032 B9R1.69 Fc1ccc(c(c1)N)F PI-16941 [1,1,0,0,0,0|2,0,0]=4 1033 B9R1.69 Fc1ccc(c(c1)N)O PI-15926 [1,1,0,0,0,0|1,0,0]=3 1034 B9R1.69 Fc1ccc(c(c1)O)Br PI-31067 [1,1,0,0,0,0|2,0,0]=4 1035 B9R1.69 Fc1ccc(c(c1)O)C PI-10656 [1,1,0,0,0,0|1,0,0]=3 1036 B9R1.69 Fc1ccc(c(c1)O)Cl PI-10649 [1,1,0,0,0,0|2,0,0]=4 1037 B9R1.69 Fc1ccc(c(c1)O)F PI-16913 [1,1,0,0,0,0|2,0,0]=4 1038 B9R1.69 Fc1ccc(c(c1)O)O PI-16942 [1,1,0,0,0,0|1,0,0]=3 1039 B9R1.69 Fc1ncc(C)c(I)c1 PI-34432 [1,1,0,0,0,0|2,0,0]=4 1040 B9R1.69 IC1=CC(O)=C(Cl)C=C1 PI-46497 [1,1,0,0,0,0|2,0,0]=4 1041 B9R1.69 IC1=CC=C(Br)C(Br)=C1 PI-41928 [1,1,0,0,0,0|2,0,0]=4 1042 B9R1.69 IC1=CC=C(Br)C=C1F PI-21451 [1,1,0,0,0,0|2,0,0]=4 1043 B9R1.69 IC1=CC=C(F)C=C1F PI-28291 [1,1,0,0,0,0|2,0,0]=4 1044 B9R1.69 Ic1ccc(Br)c(C)c1 PI-21531 [1,1,0,0,0,0|2,0,0]=4 1045 B9R1.69 Ic1ccc(F)c(Br)c1 PI-21453 [1,1,0,0,0,0|2,0,0]=4 1046 B9R1.69 Ic1ccc(c(c1)F)Br PI-14443 [1,1,0,0,0,0|2,0,0]=4 1047 B9R1.69 NC1=C(Cl)C=C(O)C=C1 PI-39809 [1,1,0,0,0,0|1,0,0]=3 1048 B9R1.69 NC1=CC(Br)=CC=C1Cl PI-20602 [1,1,0,0,0,0|2,0,0]=4 1049 B9R1.69 NC1=CC=C(Br)C=C1I PI-39519 [1,1,0,0,0,0|2,0,0]=4 1050 B9R1.69 NC1=CC=C(Cl)C(N)=C1 PI-11322 [1,1,0,0,0,0|2,0,0]=4 1051 B9R1.69 NC1=NC(Br)=C(C)C=C1 PI-39854 [1,1,0,0,0,0|2,0,0]=4 1052 B9R1.69 Nc1ccc(Br)c(C)c1 PI-21584 [1,1,0,0,0,0|2,0,0]=4 1053 B9R1.69 Nc1ccc(C)c(O)c1 PI-11313 [1,1,0,0,0,0|1,0,0]=3 1054 B9R1.69 Nc1ccc(O)c(Cl)c1 PI-11818 [1,1,0,0,0,0|1,0,0]=3 1055 B9R1.69 Nc1ccc(O)c(F)c1 PI-28497 [1,1,0,0,0,0|1,0,0]=3 1056 B9R1.69 Nc1ccc(c(c1)Br)F PI-12304 [1,1,0,0,0,0|2,0,0]=4 1057 B9R1.69 Nc1ccc(c(c1)C)N PI-19993 [1,1,0,0,0,0|2,0,0]=4 1058 B9R1.69 Nc1ccc(c(c1)Cl)Br PI-20601 [1,1,0,0,0,0|2,0,0]=4 1059 B9R1.69 Nc1ccc(c(c1)Cl)I PI-30125 [1,1,0,0,0,0|2,0,0]=4 1060 B9R1.69 Nc1ccc(c(c1)Cl)N PI-38011 [1,1,0,0,0,0|2,0,0]=4 1061 B9R1.69 Nc1ccc(c(c1)Cl)N PI-38070 [1,1,0,0,0,0|2,0,0]=4 1062 B9R1.69 Nc1ccc(c(c1)F)Br PI-10618 [1,1,0,0,0,0|2,0,0]=4 1063 B9R1.69 Nc1ccc(c(c1)F)I PI-10620 [1,1,0,0,0,0|2,0,0]=4 1064 B9R1.69 OC1=CC(Cl)=CC=C1I PI-40949 [1,1,0,0,0,0|2,0,0]=4 1065 B9R1.69 OC1=CC=C(Br)C=C1O PI-37116 [1,1,0,0,0,0|1,0,0]=3 1066 B9R1.69 OC1=CC=C(C)C=C1Br PI-14476 [1,1,0,0,0,0|0,0,0]=2 1067 B9R1.69 OC1=CC=C(N)C(Cl)=C1 PI-42395 [1,1,0,0,0,0|1,0,0]=3 1068 B9R1.69 OC1=CC=C(N)C=C1N PI-32464 [1,1,0,0,0,0|1,0,0]=3 1069 B9R1.69 Oc1cc(Cl)ccc1Cl PI-34659 [1,1,0,0,0,0|2,0,0]=4 1070 B9R1.69 Oc1ccc(Br)c(F)c1 PI-10426 [1,1,0,0,0,0|1,0,0]=3 1071 B9R1.69 Oc1ccc(Br)c(O)c1 PI-28737 [1,1,0,0,0,0|1,0,0]=3 1072 B9R1.69 Oc1ccc(C)c(C)c1 PI-34164 [1,1,0,0,0,0|0,0,0]=2 1073 B9R1.69 Oc1ccc(C)c(F)c1 PI-10654 [1,1,0,0,0,0|0,0,0]=2 1074 B9R1.69 Oc1ccc(F)c(N)c1 PI-33926 [1,1,0,0,0,0|1,0,0]=3 1075 B9R1.69 Oc1ccc(c(c1)Br)Cl PI-39217 [1,1,0,0,0,0|1,0,0]=3 1076 B9R1.69 Oc1ccc(c(c1)Br)F PI-10647 [1,1,0,0,0,0|1,0,0]=3 1077 B9R1.69 Oc1ccc(c(c1)C)Br PI-14477 [1,1,0,0,0,0|1,0,0]=3 1078 B9R1.69 Oc1ccc(c(c1)F)F PI-16914 [1,1,0,0,0,0|1,0,0]=3 1079 B9R1.69 Oc1ccc(c(c1)O)C PI-19649 [1,1,0,0,0,0|0,0,0]=2 1080 B9R1.69 Oc1ccc(c(c1)O)F PI-10442 [1,1,0,0,0,0|1,0,0]=3 1081 B9R1.69 Oc1ccc(c(c1)O)O PI-31220 [1,1,0,0,0,0|0,0,0]=2 1082 B9R1.69 Oc1cnc(c(c1)Br)Cl PI-39120 [1,1,0,0,0,0|2,0,0]=4 1083 B9R1.69 Oc1ncc(c(c1)Br)F PI-38921 [1,1,0,0,0,0|2,0,0]=4 1084 B9R1.69 Sc1ccc(C)c(F)c1 PI-23787 [1,1,0,0,0,0|0,1,0]=3 1085 B9R1.69 Sc1ccc(c(c1)C)O PI-18459 [1,1,0,0,0,0|0,1,0]=3 1086 B9R1.21 C1=C(OC(=C1)CO)CO PI-42477 [0,1,0,0,1,0|1,0,0]=3 1087 B11R1.1 C#CCOc1ccc(cc1)N PI-38734 [0,2,0,0,0,0|2,0,0]=4 1088 B11R1.1 C1=CC(=CC=C1CCC#N)Br PI-22541 [0,2,0,0,0,0|2,0,0]=4 1089 B11R1.1 C1=CC(=CC=C1CCC=O)F PI-45774 [0,2,0,0,0,0|1,0,1]=4 1090 B11R1.1 C1=CC(=CC=C1CCCO)Cl PI-20215 [0,2,0,0,0,0|1,0,0]=3 1091 B11R1.1 C1=CC(=CC=C1CCCO)O PI-46961 [0,2,0,0,0,0|0,0,0]=2 1092 B11R1.1 C1=CC(=CC=C1CN=C=S)Cl PI-23618 [0,2,0,0,0,0|1,1,0]=4 1093 B11R1.1 C1=CC(=CC=C1CN=C=S)F PI-23493 [0,2,0,0,0,0|1,1,0]=4 1094 B11R1.1 C1=CC(=CC=C1F)SCC#N PI-29273 [0,2,0,0,0,0|2,0,0]=4 1095 B11R1.1 C1=CC(=CC=C1N)OCCCl PI-47269 [0,2,0,0,0,0|2,0,0]=4 1096 B11R1.1 C1=CC(=CC=C1OCCO)Br PI-19473 [0,2,0,0,0,0|1,0,0]=3 1097 B11R1.1 C1=CC(=CC=C1OCCO)Cl PI-19256 [0,2,0,0,0,0|1,0,0]=3 1098 B11R1.1 C1=CC(=CC=C1SCC#N)Cl PI-30240 [0,2,0,0,0,0|2,0,0]=4 1099 B11R1.1 C=CCOC1=CC=C(C=C1)Cl PI-30132 [0,2,0,0,0,0|2,0,0]=4 1100 B11R1.1 CC1=CC=C(C=C1)CCC=C PI-50176 [0,2,0,0,0,0|2,0,0]=4 1101 B11R1.1 CC1=CC=C(C=C1)CN=C=O PI-11439 [0,2,0,0,0,0|1,0,1]=4 1102 B11R1.1 CC1=CC=C(C=C1)OCC#N PI-30497 [0,2,0,0,0,0|2,0,0]=4 1103 B11R1.1 CCCCC1=CC=C(C=C1)C PI-19171 [0,2,0,0,0,0|2,0,0]=4 1104 B11R1.1 CCCCC1=CC=C(C=C1)O PI-11971 [0,2,0,0,0,0|1,0,0]=3 1105 B11R1.1 CCCCc1ccc(Br)cc1 PI-30595 [0,2,0,0,0,0|2,0,0]=4 1106 B11R1.1 CCCOC1=CC=C(C=C1)Br PI-30574 [0,2,0,0,0,0|2,0,0]=4 1107 B11R1.1 CCCOc1ccc(cc1)O PI-16211 [0,2,0,0,0,0|1,0,0]=3 1108 B11R1.1 CCOCC1=CN=C(C=C1)N PI-44053 [0,2,0,0,0,0|2,0,0]=4 1109 B11R1.1 CNCCC1=CC=C(C=C1)O PI-43105 [0,2,0,0,0,0|1,0,0]=3 1110 B11R1.1 COCCc1ccc(O)cc1 PI-12149 [0,2,0,0,0,0|0,0,0]=2 1111 B11R1.1 ClCCOc1ccc(cc1)Cl PI-13022 [0,2,0,0,0,0|2,0,0]=4 1112 B11R1.1 N#CCOc1ccc(F)cc1 PI-23816 [0,2,0,0,0,0|2,0,0]=4 1113 B11R1.1 N#CCOc1ccc(cc1)Cl PI-30527 [0,2,0,0,0,0|2,0,0]=4 1114 B11R1.1 O=C=NCc1ccc(cc1)F PI-19104 [0,2,0,0,0,0|1,0,1]=4 1115 B11R1.1 OC1=CC=C(CCC#N)C=C1 PI-11502 [0,2,0,0,0,0|1,0,0]=3 1116 B11R1.1 OCC#Cc1ccc(Cl)cc1 PI-20218 [0,2,0,0,0,0|1,0,0]=3 1117 B11R1.1 OCCCc1ccc(cc1)Br PI-39007 [0,2,0,0,0,0|1,0,0]=3 1118 B11R1.1 [C-]#[N+]CCc1ccc(Br)cc1 PI-22265 [0,2,0,0,0,0|2,0,0]=4 1119 B11R1.1 [C-]#[N+]CCc1ccc(F)cc1 PI-23814 [0,2,0,0,0,0|2,0,0]=4 1120 B11R1.20 C1=CC(=CC=C1CC(=O)Cl)F PI-28554 [0,2,0,0,0,0|1,0,1]=4 1121 B11R1.20 C1=CC(=CC=C1CC(=O)N)O PI-16441 [0,2,0,0,0,0|0,0,1]=3 1122 B11R1.20 C1=CC(=CC=C1CC(=O)O)Br PI-12711 [0,2,0,0,0,0|1,0,0]=3 1123 B11R1.20 C1=CC(=CC=C1CC(=O)O)Cl PI-32618 [0,2,0,0,0,0|1,0,0]=3 1124 B11R1.20 C1=CC(=CC=C1CC(=O)O)N PI-25083 [0,2,0,0,0,0|1,0,0]=3 1125 B11R1.20 C1=CC(=CC=C1CC(C)=O)F PI-39618 [0,2,0,0,0,0|1,0,1]=4 1126 B11R1.20 C1=CC(=CC=C1N)OC(F)F PI-21176 [0,2,0,0,0,0|2,0,0]=4 1127 B11R1.20 C1=CC(=NC=C1CC(=O)O)Cl PI-32201 [0,2,0,0,0,0|2,0,0]=4 1128 B11R1.20 CC(=O)Cc1ccc(cc1)Br PI-38548 [0,2,0,0,0,0|1,0,1]=4 1129 B11R1.20 CC(=O)OC1=CC=C(C=C1)O PI-49042 [0,2,0,0,0,0|0,0,2]=4 1130 B11R1.20 CC(C)CC1=CC=C(C=C1)Br PI-13179 [0,2,0,0,0,0|2,0,0]=4 1131 B11R1.20 CC(C)NC1=CC=C(C=C1)F PI-42945 [0,2,0,0,0,0|2,0,0]=4 1132 B11R1.20 CC(C)OC1=CC=C(C=C1)N PI-28808 [0,2,0,0,0,0|2,0,0]=4 1133 B11R1.20 CC1=CC=C(C=C1)CC(=O)O PI-30795 [0,2,0,0,0,0|1,0,0]=3 1134 B11R1.20 CC1=CC=C(C=C1)OC(F)F PI-21199 [0,2,0,0,0,0|2,0,0]=4 1135 B11R1.20 CC1=CN=C(C=C1)CC(=O)O PI-48028 [0,2,0,0,0,0|2,0,0]=4 1136 B11R1.20 ClC(=O)Cc1ccc(Br)cc1 PI-22240 [0,2,0,0,0,0|1,0,1]=4 1137 B11R1.20 ClC(=O)Cc1ccc(C)cc1 PI-24891 [0,2,0,0,0,0|1,0,1]=4 1138 B11R1.20 FC(Oc1ccc(cc1)Br)F PI-21193 [0,2,0,0,0,0|2,0,0]=4 1139 B11R1.20 FC(Oc1ccc(cc1)I)F PI-21194 [0,2,0,0,0,0|2,0,0]=4 1140 B11R1.20 NC(=S)Nc1ccc(cc1)O PI-20852 [0,2,0,0,0,0|0,1,1]=4 1141 B11R1.20 OC(=O)Cc1ccc(F)cc1 PI-16969 [0,2,0,0,0,0|1,0,0]=3 1142 B11R1.20 OC(=O)Cc1ccc(I)cc1 PI-30230 [0,2,0,0,0,0|1,0,0]=3 1143 B11R1.20 OC(=O)Cc1ccc(O)cc1 PI-11992 [0,2,0,0,0,0|0,0,0]=2 1144 B11R1.20 OC(=O)Cc1ccc(S)cc1 PI-30560 [0,2,0,0,0,0|0,1,0]=3 1145 B11R1.22 BrCC(=O)c1ccc(F)cc1 PI-16507 [0,2,0,0,0,0|2,0,0]=4 1146 B11R1.22 BrCC(=O)c1ccc(cc1)Cl PI-12174 [0,2,0,0,0,0|2,0,0]=4 1147 B11R1.22 C1=CC(=CC=C1C(=NO)N)Br PI-14454 [0,2,0,0,0,0|1,0,1]=4 1148 B11R1.22 C1=CC(=CC=C1C(=NO)N)Cl PI-30654 [0,2,0,0,0,0|1,0,1]=4 1149 B11R1.22 C1=CC(=CC=C1C(=NO)N)F PI-23442 [0,2,0,0,0,0|1,0,1]=4 1150 B11R1.22 C1=CC(=CC=C1C(=O)CBr)O PI-10322 [0,2,0,0,0,0|1,0,0]=3 1151 B11R1.22 C1=CC(=CC=C1C(=O)CCl)F PI-28553 [0,2,0,0,0,0|2,0,0]=4 1152 B11R1.22 C1=CC(=CC=C1C(=O)CF)Cl PI-30480 [0,2,0,0,0,0|2,0,0]=4 1153 B11R1.22 C1=CC(=CC=C1C(=O)CN)Br PI-29690 [0,2,0,0,0,0|2,0,0]=4 1154 B11R1.22 C1=CC(=CC=C1C(=O)CN)Cl PI-16147 [0,2,0,0,0,0|2,0,0]=4 1155 B11R1.22 C1=CC(=CC=C1C(=O)CN)F PI-10226 [0,2,0,0,0,0|2,0,0]=4 1156 B11R1.22 C1=CC(=CC=C1C(=O)CN)O PI-49411 [0,2,0,0,0,0|1,0,0]=3 1157 B11R1.22 C1=CC(=CC=C1C(=O)CO)Br PI-30487 [0,2,0,0,0,0|1,0,0]=3 1158 B11R1.22 C1=CC(=CC=C1C(=O)CO)Cl PI-30418 [0,2,0,0,0,0|1,0,0]=3 1159 B11R1.22 C1=CC(=CC=C1C(=O)CO)F PI-30583 [0,2,0,0,0,0|1,0,0]=3 1160 B11R1.22 C1=CC(=CC=C1C(=O)NN)O PI-50238 [0,2,0,0,0,0|0,0,2]=4 1161 B11R1.22 C1=CC(=CC=C1C(C#N)N)F PI-15928 [0,2,0,0,0,0|2,0,0]=4 1162 B11R1.22 C1=CC(=CC=C1[C@@H](CCl)O)F PI-49814 [0,2,0,0,0,0|1,0,0]=3 1163 B11R1.22 CC1=CC=C(C=C1)C(=NO)N PI-30254 [0,2,0,0,0,0|1,0,1]=4 1164 B11R1.22 CC1=CC=C(C=C1)C(=O)CBr PI-27801 [0,2,0,0,0,0|2,0,0]=4 1165 B11R1.22 CC1=CC=C(C=C1)C(=O)CN PI-30703 [0,2,0,0,0,0|2,0,0]=4 1166 B11R1.22 CC1=CC=C(C=C1)C(=O)OC PI-50597 [0,2,0,0,0,0|1,0,1]=4 1167 B11R1.22 CCC(=O)C1=CC=C(C=C1)Br PI-12718 [0,2,0,0,0,0|2,0,0]=4 1168 B11R1.22 CCC(=O)C1=CC=C(C=C1)N PI-17560 [0,2,0,0,0,0|2,0,0]=4 1169 B11R1.22 CCN(C1=CC=C(C=C1)C)N PI-29774 [0,2,0,0,0,0|2,0,0]=4 1170 B11R1.22 COC(=O)C1=CC=C(C=C1)Br PI-11276 [0,2,0,0,0,0|1,0,1]=4 1171 B11R1.22 COC(=O)C1=CC=C(C=C1)I PI-18765 [0,2,0,0,0,0|1,0,1]=4 1172 B11R1.22 COC(=O)C1=CC=C(C=C1)N PI-12227 [0,2,0,0,0,0|1,0,1]=4 1173 B11R1.22 COC(=O)c1ccc(Cl)cc1 PI-30070 [0,2,0,0,0,0|1,0,1]=4 1174 B11R1.22 COC(=O)c1ccc(O)cn1 PI-36864 [0,2,0,0,0,0|1,0,1]=4 1175 B11R1.22 NC1=CC=C(C([O-4][K+2])=O)C=C1 PI-50445 [0,2,0,0,0,0|1,0,1]=4 1176 B11R1.22 O=C(OC)C1=CC=C(F)C=C1 PI-16967 [0,2,0,0,0,0|1,0,1]=4 1177 B11R1.81 C1=CC(=C(C=C1Cl)Cl)C=NO PI-27711 [0,2,0,0,0,0|1,0,1]=4 1178 B11R1.81 C1=CC(=C(C=C1Cl)Cl)CC#N PI-32218 [0,2,0,0,0,0|2,0,0]=4 1179 B11R1.81 C1=CC(=C(C=C1Cl)Cl)CCN PI-11209 [0,2,0,0,0,0|2,0,0]=4 1180 B11R1.81 C1=CC(=C(C=C1Cl)Cl)CCO PI-35237 [0,2,0,0,0,0|1,0,0]=3 1181 B11R1.81 C1=CC(=C(C=C1Cl)F)CC#N PI-35241 [0,2,0,0,0,0|2,0,0]=4 1182 B11R1.81 C1=CC(=C(C=C1F)Cl)CC#N PI-20106 [0,2,0,0,0,0|2,0,0]=4 1183 B11R1.81 C1=CC(=C(C=C1F)Cl)CCO PI-17322 [0,2,0,0,0,0|1,0,0]=3 1184 B11R1.81 C1=CC(=C(C=C1F)F)CC#N PI-28729 [0,2,0,0,0,0|2,0,0]=4 1185 B11R1.81 CC1=CC(=C(C=C1)CCN)C PI-23898 [0,2,0,0,0,0|2,0,0]=4 1186 B11R1.81 CCCC1=C(C=C(C=C1)O)O PI-19259 [0,2,0,0,0,0|1,0,0]=3 1187 B11R1.81 CCNC1=C(C=C(C=C1)Cl)N PI-20049 [0,2,0,0,0,0|2,0,0]=4 1188 B11R1.81 FC1=CC=C(C(F)=C1)\C=N\O PI-28311 [0,2,0,0,0,0|1,0,1]=4 1189 B11R1.81 N#CCc1ccc(Br)cc1F PI-35860 [0,2,0,0,0,0|2,0,0]=4 1190 B11R1.83 C1=CC(=CC=C1CCN)C#N PI-48254 [0,2,0,0,0,0|2,0,0]=4 1191 B11R1.83 CCCC1=CC=C(C=C1)C#C PI-30797 [0,2,0,0,0,0|2,0,0]=4 1192 B11R1.83 CCCC1=CC=C(C=C1)C=O PI-27431 [0,2,0,0,0,0|1,0,1]=4 1193 B11R1.83 CCOC1=CC=C(C=C1)C#C PI-30939 [0,2,0,0,0,0|1,0,1]=4 1194 B11R1.83 CCOC1=CC=C(C=C1)C#N PI-50300 [0,2,0,0,0,0|1,0,1]=4 1195 B11R1.83 CCOC1=CC=C(C=C1)C=O PI-50245 [0,2,0,0,0,0|0,0,2]=4 1196 B11R1.83 CCSC1=CC=C(C=C1)C=O PI-27942 [0,2,0,0,0,0|1,0,1]=4 1197 B11R1.83 COC1=CC=C(C=C1)CC#N PI-31718 [0,2,0,0,0,0|1,0,0]=3 1198 B11R1.83 COC1=CC=C(C=C1)CCO PI-35236 [0,2,0,0,0,0|0,0,0]=2 1199 B11R1.83 COC1=CC=C(C=C1)CNN PI-50561 [0,2,0,0,0,0|1,0,0]=3 1200 B11R1.83 COC1=CC=C(C=C1)CNO PI-44099 [0,2,0,0,0,0|0,0,0]=2 1201 B11R1.83 COCc1ccc(cc1)OC PI-35666 [0,2,0,0,0,0|0,0,0]=2 1202 B11R1.83 COc1ccc(cc1)N=C=O PI-39302 [0,2,0,0,0,0|0,0,2]=4 1203 B11R1.83 CSC1=CC=C(C=C1)CC#N PI-50651 [0,2,0,0,0,0|1,1,0]=4 1204 B11R1.83 NCCc1ccc(OC)cc1 PI-31711 [0,2,0,0,0,0|1,0,0]=3 1205 B11R1.192 C1=C(C=CC(=C1Cl)Cl)CC#N PI-11885 [0,2,0,0,0,0|2,0,0]=4 1206 B11R1.192 C1=CC(=C(C=C1C=NO)Cl)Cl PI-27679 [0,2,0,0,0,0|1,0,1]=4 1207 B11R1.192 C1=CC(=C(C=C1C=NO)O)O PI-27491 [0,2,0,0,0,0|0,0,1]=3 1208 B11R1.192 C1=CC(=C(C=C1CC#N)Cl)F PI-44993 [0,2,0,0,0,0|2,0,0]=4 1209 B11R1.192 C1=CC(=C(C=C1CC#N)F)F PI-28733 [0,2,0,0,0,0|2,0,0]=4 1210 B11R1.192 C1=CC(=C(C=C1CCO)O)O PI-27061 [0,2,0,0,0,0|0,0,0]=2 1211 B11R1.192 C=CCC1=CC(=C(C=C1)O)O PI-41465 [0,2,0,0,0,0|1,0,0]=3 1212 B11R1.192 C=CCc1ccc(F)c(C)c1 PI-23775 [0,2,0,0,0,0|2,0,0]=4 1213 B11R1.192 CCOC1=CC(=C(C=C1)N)N PI-13551 [0,2,0,0,0,0|2,0,0]=4 1214 B11R1.192 N#CCc1ccc(C)c(F)c1 PI-23763 [0,2,0,0,0,0|2,0,0]=4 1215 B11R1.192 NCCc1ccc(c(c1)C)C PI-23900 [0,2,0,0,0,0|2,0,0]=4 1216 B11R1.3 B(C1=CC=C(C=C1)CBr)(O)O PI-25789 [0,2,0,0,0,0|1,0,0]=3 1217 B11R1.3 B(C1=CC=C(C=C1)SC)(O)O PI-23605 [0,2,0,0,0,0|1,1,0]=4 1218 B11R1.3 B(C1=CN=C(C=C1)OC)(O)O PI-25496 [0,2,0,0,0,0|2,0,0]=4 1219 B11R1.3 BrCc1ccc(cc1)C(=O)O PI-11969 [0,2,0,0,0,0|1,0,0]=3 1220 B11R1.3 C#CC1=CC=C(C=C1)C(=O)O PI-46517 [0,2,0,0,0,0|1,0,1]=4 1221 B11R1.3 C#Cc1ccc(cc1)B(O)O PI-38738 [0,2,0,0,0,0|1,0,1]=4 1222 B11R1.3 C1=CC(=CC=C1C(=O)O)NN PI-11467 [0,2,0,0,0,0|1,0,1]=4 1223 B11R1.3 C1=CC(=CC=C1CN)[N+](=O)[O-] PI-41579 [0,2,0,0,0,0|1,0,1]=4 1224 B11R1.3 C1=CC(=CC=C1CO)C(=O)O PI-24305 [0,2,0,0,0,0|0,0,0]=2 1225 B11R1.3 C=Cc1ccc(cc1)C(=O)O PI-30056 [0,2,0,0,0,0|1,0,1]=4 1226 B11R1.3 CC(C)C1=CC=C(C=C1)C#C PI-30350 [0,2,0,0,0,0|2,0,0]=4 1227 B11R1.3 CC(C)C1=CC=C(C=C1)CN PI-19626 [0,2,0,0,0,0|2,0,0]=4 1228 B11R1.3 CC(C1=CC=C(C=C1)OC)N PI-32643 [0,2,0,0,0,0|1,0,0]=3 1229 B11R1.3 CC(O)C1=CC=C(OC)C=C1 PI-32585 [0,2,0,0,0,0|0,0,0]=2 1230 B11R1.3 CCC1=CC=C(C=C1)C(=O)C PI-12886 [0,2,0,0,0,0|1,0,1]=4 1231 B11R1.3 CCC1=CC=C(C=C1)C(=O)Cl PI-12125 [0,2,0,0,0,0|1,0,1]=4 1232 B11R1.3 CCC1=CC=C(C=C1)C(=O)N PI-30492 [0,2,0,0,0,0|1,0,1]=4 1233 B11R1.3 CCc1ccc(cc1)B(O)O PI-28704 [0,2,0,0,0,0|1,0,0]=3 1234 B11R1.3 CN(C)C1=CC=C(C=C1)CN PI-23374 [0,2,0,0,0,0|2,0,0]=4 1235 B11R1.3 CN(C)C1=CC=C(C=C1)CN PI-35653 [0,2,0,0,0,0|2,0,0]=4 1236 B11R1.3 CN(C)C1=CC=C(C=C1)CO PI-41788 [0,2,0,0,0,0|1,0,0]=3 1237 B11R1.3 COC1=CC=C(C=C1)C(=O)N PI-10932 [0,2,0,0,0,0|0,0,2]=4 1238 B11R1.3 COc1ccc(cc1)B(O)O PI-11577 [0,2,0,0,0,0|1,0,0]=3 1239 B11R1.3 COc1ccc(cc1)C(=N)N PI-38826 [0,2,0,0,0,0|1,0,1]=4 1240 B11R1.3 COc1ccc(cc1)C(=O)O PI-31764 [0,2,0,0,0,0|0,0,1]=3 1241 B11R1.3 COc1ccc(cc1)C(Cl)=O PI-31760 [0,2,0,0,0,0|0,0,2]=4 1242 B11R1.3 COc1ccc(cc1)[C@@H](N)C PI-32642 [0,2,0,0,0,0|1,0,0]=3 1243 B11R1.3 COc1ccc(cn1)B(O)O PI-25217 [0,2,0,0,0,0|2,0,0]=4 1244 B11R1.3 COc1ccc(cn1)C(=O)O PI-28741 [0,2,0,0,0,0|1,0,1]=4 1245 B11R1.3 COc1ccc(nc1)C(=O)O PI-38926 [0,2,0,0,0,0|1,0,1]=4 1246 B11R1.3 C[C@@H](C1=CC=C(C=C1)C#N)O PI-49825 [0,2,0,0,0,0|1,0,0]=3 1247 B11R1.3 C[C@@H](C1=CC=C(C=C1)OC)O PI-49809 [0,2,0,0,0,0|0,0,0]=2 1248 B11R1.3 C[C@H](C1=CC=C(C=C1)C#N)O PI-49824 [0,2,0,0,0,0|1,0,0]=3 1249 B11R1.3 ClCc1ccc(cc1)C(=O)O PI-16127 [0,2,0,0,0,0|1,0,0]=3 1250 B11R1.3 N#Cc1ccc(cc1)B(O)O PI-16439 [0,2,0,0,0,0|1,0,1]=4 1251 B11R1.3 NCC1=CC=C([N+]([O-])=O)C=C1 PI-26234 [0,2,0,0,0,0|1,0,1]=4 1252 B11R1.3 NCc1ccc(cc1)B(O)O PI-25826 [0,2,0,0,0,0|1,0,0]=3 1253 B11R1.3 NCc1ccc(cc1)C(=O)O PI-13119 [0,2,0,0,0,0|1,0,0]=3 1254 B11R1.3 NNc1ccc(cc1)C(C)C PI-29077 [0,2,0,0,0,0|2,0,0]=4 1255 B11R1.3 NNc1ccc(cc1)C(C)C PI-29812 [0,2,0,0,0,0|2,0,0]=4 1256 B11R1.3 O=C(O)C1=CC=C(CC)C=C1 PI-10223 [0,2,0,0,0,0|1,0,0]=3 1257 B11R1.3 O=C(O)C1=CC=C(NN)C=C1 PI-27393 [0,2,0,0,0,0|1,0,1]=4 1258 B11R1.3 O=Cc1ccc(cc1)B(O)O PI-16440 [0,2,0,0,0,0|0,0,2]=4 1259 B11R1.3 O=Cc1ccc(cc1)C(=O)O PI-18766 [0,2,0,0,0,0|0,0,2]=4 1260 B11R1.3 OC(=O)c1ccc(cc1)C#N PI-31249 [0,2,0,0,0,0|1,0,1]=4 1261 B11R1.3 OCc1ccc(cc1)B(O)O PI-25712 [0,2,0,0,0,0|0,0,0]=2 1262 B11R1.3 OCc1ccc(cc1)[N+](=O)[O-] PI-32225 [0,2,0,0,0,0|0,0,1]=3 1263 B11R1.279 C1=CC(=C(C=C1CO)Br)CO PI-48915 [0,2,0,0,0,0|0,0,0]=2 1264 B11R1.279 CC1=C(C=CC(=C1)C=O)OC PI-16554 [0,2,0,0,0,0|0,0,2]=4 1265 B11R1.279 CC1=C(C=CC(=C1)OC)C#C PI-19876 [0,2,0,0,0,0|1,0,1]=4 1266 B11R1.279 CC1=C(C=CC(=C1)OC)C=O PI-27668 [0,2,0,0,0,0|0,0,2]=4 1267 B11R1.279 CC1=C(C=CC(=C1)OC)NN PI-29977 [0,2,0,0,0,0|2,0,0]=4 1268 B11R1.279 CC1=C(C=CC(=C1)OC)OC PI-33344 [0,2,0,0,0,0|2,0,0]=4 1269 B11R1.279 COC1=C(C=C(C=C1)C#N)Cl PI-19025 [0,2,0,0,0,0|1,0,1]=4 1270 B11R1.279 COC1=C(C=C(C=C1)C#N)F PI-10704 [0,2,0,0,0,0|1,0,1]=4 1271 B11R1.279 COC1=C(C=C(C=C1)C#N)O PI-34038 [0,2,0,0,0,0|1,0,1]=4 1272 B11R1.279 COC1=C(C=C(C=C1)C=O)Br PI-18486 [0,2,0,0,0,0|0,0,2]=4 1273 B11R1.279 COC1=C(C=C(C=C1)C=O)F PI-28427 [0,2,0,0,0,0|0,0,2]=4 1274 B11R1.279 COC1=C(C=C(C=C1)C=O)O PI-15305 [0,2,0,0,0,0|0,0,2]=4 1275 B11R1.279 COC1=C(C=C(C=C1)CBr)F PI-23718 [0,2,0,0,0,0|1,0,0]=3 1276 B11R1.279 COC1=C(C=C(C=C1)CN)Cl PI-30601 [0,2,0,0,0,0|1,0,0]=3 1277 B11R1.279 COC1=CC(=C(C=C1)C#N)F PI-10454 [0,2,0,0,0,0|1,0,1]=4 1278 B11R1.279 COC1=CC(=C(C=C1)C=O)F PI-28394 [0,2,0,0,0,0|0,0,2]=4 1279 B11R1.279 COC1=CC(=C(C=C1)OC)Br PI-21654 [0,2,0,0,0,0|2,0,0]=4 1280 B11R1.279 COc1ccc(C=O)c(O)c1 PI-31262 [0,2,0,0,0,0|0,0,2]=4 1281 B11R1.279 COc1ccc(OC)c(F)c1 PI-21289 [0,2,0,0,0,0|2,0,0]=4 1282 B11R1.279 COc1ccc(OC)c(O)c1 PI-32412 [0,2,0,0,0,0|2,0,0]=4 1283 B11R1.279 COc1ccc(OC)c(S)c1 PI-21302 [0,2,0,0,0,0|2,0,0]=4 1284 B11R1.279 ClCc1ccc(OC)c(F)c1 PI-16369 [0,2,0,0,0,0|1,0,0]=3 1285 B11R1.279 N#Cc1ccc(c(c1)F)CBr PI-12708 [0,2,0,0,0,0|2,0,0]=4 1286 B11R1.279 NCc1ccc(c(c1)Cl)OC PI-37600 [0,2,0,0,0,0|1,0,0]=3 1287 B11R1.19 Brc1ccc(cc1)C(C)(C)C PI-11587 [0,2,0,0,0,0|2,0,0]=4 1288 B11R1.19 C1=CC(=CC=C1C(Cl)(Cl)Cl)Cl PI-34226 [0,2,0,0,0,0|2,0,0]=4 1289 B11R1.19 C1=CC(=CC=C1C(F)(F)F)I PI-28548 [0,2,0,0,0,0|2,0,0]=4 1290 B11R1.19 C1=CC(=CC=C1C(F)(F)F)N PI-30976 [0,2,0,0,0,0|2,0,0]=4 1291 B11R1.19 C1=CC(=CC=C1F)S(=O)(=O)O PI-28451 [0,2,0,0,0,0|2,0,0]=4 1292 B11R1.19 C1=CC(=CC=C1S(=O)(=O)O)Cl PI-21379 [0,2,0,0,0,0|2,0,0]=4 1293 B11R1.19 CC(C)(C)C1=CC=C(C=C1)Cl PI-34169 [0,2,0,0,0,0|2,0,0]=4 1294 B11R1.19 CC(C)(C)C1=CC=C(C=C1)I PI-15640 [0,2,0,0,0,0|2,0,0]=4 1295 B11R1.19 CC(C)(C)C1=CC=C(C=C1)N PI-22877 [0,2,0,0,0,0|2,0,0]=4 1296 B11R1.19 CC(C)(C)c1ccc(S)cc1 PI-23054 [0,2,0,0,0,0|1,1,0]=4 1297 B11R1.19 CC(C1=CC=C(Br)C=C1)(F)C PI-46657 [0,2,0,0,0,0|2,0,0]=4 1298 B11R1.19 CC(C1=CC=C(C=C1)Br)(F)F PI-42710 [0,2,0,0,0,0|2,0,0]=4 1299 B11R1.19 CC1=CC=C(C=C1)C(C)(C)C PI-31987 [0,2,0,0,0,0|2,0,0]=4 1300 B11R1.19 CC1=CC=C(C=C1)C(F)(F)F PI-28686 [0,2,0,0,0,0|2,0,0]=4 1301 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O PI-48935 [0,2,0,0,0,0|2,0,0]=4 1302 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O PI-49467 [0,2,0,0,0,0|2,0,0]=4 1303 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O PI-37598 [0,2,0,0,0,0|2,0,0]=4 1304 B11R1.19 FC(c1ccc(cc1)Br)(F)F PI-16964 [0,2,0,0,0,0|2,0,0]=4 1305 B11R1.19 FC(c1ccc(cc1)O)(F)F PI-10422 [0,2,0,0,0,0|1,0,0]=3 1306 B11R1.19 FC(c1ccc(cc1)S)(F)F PI-28846 [0,2,0,0,0,0|1,1,0]=4 1307 B11R1.19 Fc1ccc(cc1)C(Cl)(Cl)Cl PI-33413 [0,2,0,0,0,0|2,0,0]=4 1308 B11R1.19 Fc1ccc(cc1)C(F)(F)F PI-10295 [0,2,0,0,0,0|2,0,0]=4 1309 B11R1.19 Nc1ccc(cc1)C(F)(F)F PI-32001 [0,2,0,0,0,0|2,0,0]=4 1310 B11R1.19 O=S(C1=CC=C(C)C=C1)(O)=O PI-41319 [0,2,0,0,0,0|2,0,0]=4 1311 B11R1.19 Oc1ccc(cc1)S(=O)(=O)C PI-27192 [0,2,0,0,0,0|1,0,1]=4 1312 B11R1.19 Oc1ccc(cc1)S(=O)(=O)Cl PI-39391 [0,2,0,0,0,0|1,0,1]=4 1313 B11R1.19 Oc1ccc(cc1)S(=O)(=O)N PI-20732 [0,2,0,0,0,0|1,0,1]=4 1314 B11R1.21 B(C1=CC(=C(C=C1)Br)F)(O)O PI-14427 [0,2,0,0,0,0|2,0,0]=4 1315 B11R1.21 B(C1=CC(=C(C=C1)C)C)(O)O PI-25668 [0,2,0,0,0,0|2,0,0]=4 1316 B11R1.21 B(C1=CC(=C(C=C1)C)Cl)(O)O PI-25257 [0,2,0,0,0,0|2,0,0]=4 1317 B11R1.21 B(C1=CC(=C(C=C1)C)F)(O)O PI-25232 [0,2,0,0,0,0|2,0,0]=4 1318 B11R1.21 B(C1=CC(=C(C=C1)C)N)(O)O PI-25361 [0,2,0,0,0,0|2,0,0]=4 1319 B11R1.21 B(C1=CC(=C(C=C1)Cl)C)(O)O PI-20170 [0,2,0,0,0,0|2,0,0]=4 1320 B11R1.21 B(C1=CC(=C(C=C1)F)Cl)(O)O PI-16842 [0,2,0,0,0,0|2,0,0]=4 1321 B11R1.21 B(C1=CC(=C(C=C1)O)C)(O)O PI-49991 [0,2,0,0,0,0|1,0,0]=3 1322 B11R1.21 B(C1=CC(=C(C=C1)O)Cl)(O)O PI-49917 [0,2,0,0,0,0|1,0,0]=3 1323 B11R1.21 B(C1=CC(=C(C=C1)O)F)(O)O PI-49906 [0,2,0,0,0,0|1,0,0]=3 1324 B11R1.21 C1=C(C(=CC=C1C(=O)O)C)N PI-31125 [0,2,0,0,0,0|1,0,1]=4 1325 B11R1.21 C1=CC(=C(C=C1C(=O)N)O)O PI-11250 [0,2,0,0,0,0|0,0,2]=4 1326 B11R1.21 C1=CC(=C(C=C1C(=O)O)Br)O PI-10053 [0,2,0,0,0,0|0,0,1]=3 1327 B11R1.21 C1=CC(=C(C=C1C(=O)O)Cl)F PI-16072 [0,2,0,0,0,0|1,0,1]=4 1328 B11R1.21 C1=CC(=C(C=C1C(=O)O)Cl)N PI-32812 [0,2,0,0,0,0|1,0,1]=4 1329 B11R1.21 C1=CC(=C(C=C1C(=O)O)Cl)O PI-19535 [0,2,0,0,0,0|0,0,1]=3 1330 B11R1.21 C1=CC(=C(C=C1C(=O)O)F)Br PI-16062 [0,2,0,0,0,0|1,0,1]=4 1331 B11R1.21 C1=CC(=C(C=C1C(=O)O)F)N PI-30637 [0,2,0,0,0,0|1,0,1]=4 1332 B11R1.21 C1=CC(=C(C=C1C(=O)O)I)O PI-50668 [0,2,0,0,0,0|0,0,1]=3 1333 B11R1.21 C1=CC(=C(C=C1C(=O)O)N)F PI-16994 [0,2,0,0,0,0|1,0,1]=4 1334 B11R1.21 C1=CC(=C(C=C1C(=O)O)O)F PI-23589 [0,2,0,0,0,0|1,0,1]=4 1335 B11R1.21 C1=CC(=C(C=C1C(=O)O)O)I PI-33357 [0,2,0,0,0,0|1,0,1]=4 1336 B11R1.21 C1=CC(=C(C=C1C(=O)O)O)N PI-30353 [0,2,0,0,0,0|1,0,1]=4 1337 B11R1.21 C1=CC(=C(C=C1[N+](=O)[O-])I)O PI-29966 [0,2,0,0,0,0|1,0,1]=4 1338 B11R1.21 CC(=O)c1ccc(c(c1)C)O PI-29955 [0,2,0,0,0,0|0,0,2]=4 1339 B11R1.21 CC(=O)c1ccc(c(c1)Cl)O PI-30431 [0,2,0,0,0,0|0,0,2]=4 1340 B11R1.21 CC(=O)c1ccc(c(c1)F)O PI-23584 [0,2,0,0,0,0|0,0,2]=4 1341 B11R1.21 CC(C)C1=CC(=C(C=C1)N)Br PI-21542 [0,2,0,0,0,0|2,0,0]=4 1342 B11R1.21 CC(C1=CC=C(O)C(O)=C1)=O PI-29084 [0,2,0,0,0,0|0,0,2]=4 1343 B11R1.21 CC(c1ccc(c(c1)N)C)C PI-19295 [0,2,0,0,0,0|2,0,0]=4 1344 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)C PI-27799 [0,2,0,0,0,0|1,0,1]=4 1345 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)F PI-31159 [0,2,0,0,0,0|1,0,1]=4 1346 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)I PI-31314 [0,2,0,0,0,0|1,0,1]=4 1347 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)O PI-10215 [0,2,0,0,0,0|1,0,1]=4 1348 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)Br PI-22129 [0,2,0,0,0,0|1,0,1]=4 1349 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)Cl PI-31518 [0,2,0,0,0,0|1,0,1]=4 1350 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)F PI-23746 [0,2,0,0,0,0|1,0,1]=4 1351 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)O PI-20807 [0,2,0,0,0,0|0,0,1]=3 1352 B11R1.21 CC1=C(C=CC(=C1)[N+](=O)[O-])O PI-42105 [0,2,0,0,0,0|1,0,1]=4 1353 B11R1.21 OB(O)C1=CC(F)=C(Cl)C=C1 PI-28135 [0,2,0,0,0,0|2,0,0]=4 1354 B11R1.21 OB(c1ccc(c(c1)C)F)O PI-16844 [0,2,0,0,0,0|2,0,0]=4 1355 B11R1.21 OB(c1ccc(c(c1)Cl)Cl)O PI-14297 [0,2,0,0,0,0|2,0,0]=4 1356 B11R1.21 OB(c1ccc(c(c1)F)F)O PI-16839 [0,2,0,0,0,0|2,0,0]=4 1357 B11R1.21 OC(=O)C1=CC(I)=C(Br)C=C1 PI-39647 [0,2,0,0,0,0|1,0,1]=4 1358 B11R1.21 OC(=O)c1ccc(C)c(Cl)c1 PI-30672 [0,2,0,0,0,0|1,0,1]=4 1359 B11R1.21 OC(=O)c1ccc(Cl)c(F)c1 PI-16071 [0,2,0,0,0,0|1,0,1]=4 1360 B11R1.21 OC(=O)c1ccc(N)c(C)c1 PI-27395 [0,2,0,0,0,0|1,0,1]=4 1361 B11R1.21 OC(=O)c1ccc(O)c(N)c1 PI-10926 [0,2,0,0,0,0|0,0,1]=3 1362 B11R1.21 OC(=O)c1ccc(O)c(O)c1 PI-20424 [0,2,0,0,0,0|0,0,1]=3 1363 B11R1.21 OC(=O)c1ccc(c(c1)Br)C PI-30921 [0,2,0,0,0,0|1,0,1]=4 1364 B11R1.21 OC(=O)c1ccc(c(c1)Br)Cl PI-14390 [0,2,0,0,0,0|1,0,1]=4 1365 B11R1.21 OC(=O)c1ccc(c(c1)Br)F PI-16063 [0,2,0,0,0,0|1,0,1]=4 1366 B11R1.21 OC(=O)c1ccc(c(c1)F)F PI-10196 [0,2,0,0,0,0|1,0,1]=4 1367 B11R1.21 OC(=O)c1ccc(c(c1)F)O PI-23588 [0,2,0,0,0,0|0,0,1]=3 1368 B11R1.21 OC(=O)c1ccc(c(c1)N)Cl PI-10214 [0,2,0,0,0,0|1,0,1]=4 1369 B11R1.21 OC(=O)c1ccc(c(c1)N)N PI-27800 [0,2,0,0,0,0|1,0,1]=4 1370 B11R1.21 OC(=O)c1ccc(c(c1)O)Cl PI-19468 [0,2,0,0,0,0|1,0,1]=4 1371 B11R1.21 OC(=O)c1ccc(c(c1)S)N PI-27183 [0,2,0,0,0,0|1,0,1]=4 1372 B11R1.21 OC(=O)c1cnc(c(c1)Br)O PI-35284 [0,2,0,0,0,0|1,0,1]=4 1373 B11R1.21 OC(=O)c1cnc(c(c1)I)O PI-39189 [0,2,0,0,0,0|1,0,1]=4 1374 B11R1.21 [O-][N+](=O)c1ccc(O)c(Br)c1 PI-29720 [0,2,0,0,0,0|1,0,1]=4 1375 B11R1.21 [O-][N+](=O)c1ccc(O)c(F)c1 PI-28507 [0,2,0,0,0,0|1,0,1]=4 1376 B11R1.21 [O-][N+](=O)c1ccc(c(c1)Cl)O PI-29782 [0,2,0,0,0,0|1,0,1]=4 1377 B11R1.21 [O-][N+](=O)c1ccc(c(c1)N)O PI-26997 [0,2,0,0,0,0|1,0,1]=4 1378 B11R1.166 B(C1=C(C=C(C=C1)Br)F)(O)O PI-14426 [0,2,0,0,0,0|2,0,0]=4 1379 B11R1.166 B(C1=C(C=C(C=C1)C)C)(O)O PI-25669 [0,2,0,0,0,0|2,0,0]=4 1380 B11R1.166 B(C1=C(C=C(C=C1)C)Cl)(O)O PI-19135 [0,2,0,0,0,0|2,0,0]=4 1381 B11R1.166 B(C1=C(C=C(C=C1)Cl)C)(O)O PI-19305 [0,2,0,0,0,0|2,0,0]=4 1382 B11R1.166 B(C1=C(C=C(C=C1)F)C)(O)O PI-23765 [0,2,0,0,0,0|2,0,0]=4 1383 B11R1.166 B(C1=C(C=C(C=C1)F)Cl)(O)O PI-10412 [0,2,0,0,0,0|2,0,0]=4 1384 B11R1.166 B(C1=C(C=C(C=C1)I)F)(O)O PI-16841 [0,2,0,0,0,0|2,0,0]=4 1385 B11R1.166 Brc1ccc(C(=O)O)c(F)c1 PI-16060 [0,2,0,0,0,0|1,0,1]=4 1386 B11R1.166 C1=CC(=C(C=C1Br)Cl)C(=O)O PI-28671 [0,2,0,0,0,0|1,0,1]=4 1387 B11R1.166 C1=CC(=C(C=C1Br)F)C(F)F PI-21640 [0,2,0,0,0,0|2,0,0]=4 1388 B11R1.166 C1=CC(=C(C=C1Br)N)C(=O)O PI-18326 [0,2,0,0,0,0|1,0,1]=4 1389 B11R1.166 C1=CC(=C(C=C1Br)O)C(=O)O PI-21374 [0,2,0,0,0,0|1,0,1]=4 1390 B11R1.166 C1=CC(=C(C=C1Cl)O)C(=O)O PI-33938 [0,2,0,0,0,0|1,0,1]=4 1391 B11R1.166 C1=CC(=C(C=C1F)Br)C(=O)O PI-16061 [0,2,0,0,0,0|1,0,1]=4 1392 B11R1.166 C1=CC(=C(C=C1F)Br)C(F)F PI-21639 [0,2,0,0,0,0|2,0,0]=4 1393 B11R1.166 C1=CC(=C(C=C1F)Cl)C(=O)O PI-16103 [0,2,0,0,0,0|1,0,1]=4 1394 B11R1.166 C1=CC(=C(C=C1F)I)C(=O)O PI-34280 [0,2,0,0,0,0|1,0,1]=4 1395 B11R1.166 C1=CC(=C(C=C1N)Cl)C(=O)O PI-10541 [0,2,0,0,0,0|1,0,1]=4 1396 B11R1.166 C1=CC(=C(C=C1N)F)C(=O)O PI-27599 [0,2,0,0,0,0|1,0,1]=4 1397 B11R1.166 C1=CC(=C(C=C1O)Cl)[N+](=O)[O-] PI-35943 [0,2,0,0,0,0|1,0,1]=4 1398 B11R1.166 C1=CC(=C(C=C1O)F)C(=O)O PI-28723 [0,2,0,0,0,0|0,0,1]=3 1399 B11R1.166 C1=CC(=CC(=C1C(O)=O)Br)Br PI-41212 [0,2,0,0,0,0|1,0,1]=4 1400 B11R1.166 CC(=O)C1=C(C=C(C=C1)O)Cl PI-12994 [0,2,0,0,0,0|0,0,2]=4 1401 B11R1.166 CC(=O)C1=C(C=C(C=C1)O)F PI-16148 [0,2,0,0,0,0|0,0,2]=4 1402 B11R1.166 CC(=O)C1=C(C=C(C=C1)O)N PI-30973 [0,2,0,0,0,0|0,0,2]=4 1403 B11R1.166 CC(N)C1=CC=C(Cl)C=C1Cl PI-41295 [0,2,0,0,0,0|2,0,0]=4 1404 B11R1.166 CC1=C(C=CC(=C1)F)C(=O)O PI-10190 [0,2,0,0,0,0|1,0,1]=4 1405 B11R1.166 CC1=C(C=CC(=C1)O)C(=O)C PI-12264 [0,2,0,0,0,0|0,0,2]=4 1406 B11R1.166 CC1=C(C=CC(=C1)O)[N+](=O)[O-] PI-12007 [0,2,0,0,0,0|1,0,1]=4 1407 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)C PI-16114 [0,2,0,0,0,0|1,0,1]=4 1408 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)F PI-18894 [0,2,0,0,0,0|1,0,1]=4 1409 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)O PI-15312 [0,2,0,0,0,0|1,0,1]=4 1410 B11R1.166 Cc1ccc(c(c1)Br)C(=O)O PI-22123 [0,2,0,0,0,0|1,0,1]=4 1411 B11R1.166 Cc1ccc(c(c1)F)B(O)O PI-25239 [0,2,0,0,0,0|2,0,0]=4 1412 B11R1.166 Cc1ccc(c(c1)N)C(=O)O PI-34285 [0,2,0,0,0,0|1,0,1]=4 1413 B11R1.166 Clc1ccc(B(O)O)c(F)c1 PI-25209 [0,2,0,0,0,0|2,0,0]=4 1414 B11R1.166 Clc1ccc(C(=O)O)c(F)c1 PI-16109 [0,2,0,0,0,0|1,0,1]=4 1415 B11R1.166 Clc1ccc(C(=O)O)c(N)c1 PI-14296 [0,2,0,0,0,0|1,0,1]=4 1416 B11R1.166 Clc1ccc(c(c1)Br)C(=O)O PI-20610 [0,2,0,0,0,0|1,0,1]=4 1417 B11R1.166 Clc1ccc(c(c1)Cl)B(O)O PI-11579 [0,2,0,0,0,0|2,0,0]=4 1418 B11R1.166 Fc1ccc(B(O)O)c(F)c1 PI-28150 [0,2,0,0,0,0|2,0,0]=4 1419 B11R1.166 Fc1ccc(C(=O)O)c(F)c1 PI-10195 [0,2,0,0,0,0|1,0,1]=4 1420 B11R1.166 Fc1ccc(C(=O)O)c(N)c1 PI-16067 [0,2,0,0,0,0|1,0,1]=4 1421 B11R1.166 Fc1ccc(C(=O)O)c(O)c1 PI-34804 [0,2,0,0,0,0|1,0,1]=4 1422 B11R1.166 Ic1ccc(C(=O)O)c(N)c1 PI-35979 [0,2,0,0,0,0|1,0,1]=4 1423 B11R1.166 Nc1ccc(c(c1)C)C(=O)O PI-38300 [0,2,0,0,0,0|1,0,1]=4 1424 B11R1.166 O=C(O)C1=CC=C(Br)C=C1I PI-41942 [0,2,0,0,0,0|1,0,1]=4 1425 B11R1.166 OC1=CC=C(C(C)C)C(O)=C1 PI-40893 [0,2,0,0,0,0|1,0,0]=3 1426 B11R1.166 Oc1ccc(C(=O)C)c(O)c1 PI-15410 [0,2,0,0,0,0|0,0,2]=4 1427 B11R1.166 Oc1ccc(C(=O)O)c(Cl)c1 PI-18689 [0,2,0,0,0,0|0,0,1]=3 1428 B11R1.166 Oc1ccc(c(c1)C)B(O)O PI-19648 [0,2,0,0,0,0|1,0,0]=3 1429 B11R1.166 Oc1ccc(c(c1)F)[N+](=O)[O-] PI-16955 [0,2,0,0,0,0|1,0,1]=4 1430 B11R1.166 Oc1ccc(c(c1)O)C(=O)N PI-10047 [0,2,0,0,0,0|0,0,2]=4 1431 B11R1.37 C1=CC(=C(C=C1O)C#N)C#N PI-50283 [0,2,0,0,0,0|1,0,1]=4 1432 B11R1.37 COc1cc(O)ccc1C=O PI-11990 [0,2,0,0,0,0|0,0,2]=4 1433 B11R1.37 COc1cc(O)ccc1OC PI-28261 [0,2,0,0,0,0|2,0,0]=4 1434 B11R1.277 C1=C(C(=CC(=C1F)F)F)CBr PI-35253 [0,2,0,0,0,0|2,0,0]=4 1435 B11R1.277 COC1=CC(=O)C(=CC1=O)O PI-20787 [0,2,0,0,0,0|2,0,0]=4 1436 B11R1.277 O=Cc1cc(O)c(O)cc1O PI-27519 [0,2,0,0,0,0|0,0,2]=4 1437 B11R1.278 C1=CC(=C(C(=C1C=O)Cl)Cl)O PI-26196 [0,2,0,0,0,0|0,0,2]=4 1438 B11R1.278 CC1=C(C=CC(=C1O)C=O)O PI-33979 [0,2,0,0,0,0|0,0,2]=4 1439 B11R1.278 N#Cc1ccc(c(c1F)F)O PI-34338 [0,2,0,0,0,0|1,0,1]=4 1440 B11R1.278 NCC1=CC=C(F)C(Cl)=C1F PI-42631 [0,2,0,0,0,0|2,0,0]=4 1441 B11R1.278 O=Cc1ccc(O)c(O)c1O PI-16094 [0,2,0,0,0,0|0,0,2]=4 1442 B11R1.278 OC1=C(C)C(CO)=CN=C1C PI-27197 [0,2,0,0,0,0|2,0,0]=4 1443 B11R1.464 BrCc1c(C)cc(cc1C)C PI-32532 [0,2,0,0,0,0|2,0,0]=4 1444 B11R1.464 C1=C(C=C(C(=C1Cl)CO)Cl)Cl PI-43255 [0,2,0,0,0,0|1,0,0]=3 1445 B11R1.464 C1=C(C=C(C(=C1F)C#N)F)O PI-28094 [0,2,0,0,0,0|1,0,1]=4 1446 B11R1.464 C1=C(C=C(C(=C1F)CN)F)F PI-42943 [0,2,0,0,0,0|2,0,0]=4 1447 B11R1.464 CC1=CC(=C(C(=C1)C)CCl)C PI-11621 [0,2,0,0,0,0|2,0,0]=4 1448 B11R1.464 CC1=CC(=C(C(=C1)C)CO)C PI-27578 [0,2,0,0,0,0|1,0,0]=3 1449 B11R1.464 NCc1c(C)cc(cc1C)C PI-38580 [0,2,0,0,0,0|2,0,0]=4 1450 B11R1.464 O=CC1=C(O)C=C(O)C=C1O PI-27625 [0,2,0,0,0,0|0,0,2]=4 1451 B11R1.464 O=Cc1c(C)cc(O)cc1C PI-10323 [0,2,0,0,0,0|0,0,2]=4 1452 B11R1.464 O=Cc1c(Cl)cc(O)cc1Cl PI-33345 [0,2,0,0,0,0|0,0,2]=4 1453 B11R1.464 OCc1c(F)cc(cc1F)F PI-39534 [0,2,0,0,0,0|1,0,0]=3 1454 B11R1.14 C1=C(C=C(C(=C1Br)O)Br)C=O PI-16091 [0,2,0,0,0,0|0,0,2]=4 1455 B11R1.14 C1=C(C=C(C(=C1Cl)O)Cl)C=O PI-27364 [0,2,0,0,0,0|0,0,2]=4 1456 B11R1.14 C1=C(C=C(C(=C1F)O)F)C=O PI-26072 [0,2,0,0,0,0|0,0,2]=4 1457 B11R1.14 C1=C(C=C(C(=C1O)O)O)C=O PI-27152 [0,2,0,0,0,0|0,0,2]=4 1458 B11R1.14 CC1=CC(=CC(=C1O)C)C=O PI-18354 [0,2,0,0,0,0|0,0,2]=4 1459 B11R1.14 CC1=CC(=CC(=C1O)C)N=O PI-28113 [0,2,0,0,0,0|1,0,1]=4 1460 B11R1.14 COC1=CC(=C(C(=C1)Br)O)N PI-31458 [0,2,0,0,0,0|2,0,0]=4 1461 B11R1.14 N#CC1=CC(I)=C(O)C(I)=C1 PI-27247 [0,2,0,0,0,0|1,0,1]=4 1462 B11R1.14 N#Cc1cc(Br)c(c(c1)Br)O PI-27248 [0,2,0,0,0,0|1,0,1]=4 1463 B11R1.14 N#Cc1cc(C)c(c(c1)C)O PI-27581 [0,2,0,0,0,0|1,0,1]=4 1464 B11R1.14 O=Cc1cc(I)c(O)c(I)c1 PI-27307 [0,2,0,0,0,0|0,0,2]=4 1465 B11R1.14 O=Cc1cc(O)c(c(c1)O)O PI-27325 [0,2,0,0,0,0|0,0,2]=4 1466 B11R1.280 C1=CC(=C(C=C1C#N)C=O)O PI-34031 [0,2,0,0,0,0|1,0,1]=4 1467 B11R1.280 C1=CC(=C(C=C1C=O)C=O)O PI-27490 [0,2,0,0,0,0|0,0,2]=4 1468 B11R1.280 C1=CC(=C(C=C1CCl)C=O)O PI-27376 [0,2,0,0,0,0|1,0,0]=3 1469 B11R1.280 CCC1=CC(=C(C=C1)Br)OC PI-48437 [0,2,0,0,0,0|2,0,0]=4 1470 B11R1.280 CCC1=CC(=C(C=C1)O)C=O PI-26703 [0,2,0,0,0,0|1,0,0]=3 1471 B11R1.280 CCC1=CC(=C(C=C1)O)OC PI-12830 [0,2,0,0,0,0|1,0,0]=3 1472 B11R1.280 COc1cc(C#N)ccc1O PI-29016 [0,2,0,0,0,0|1,0,1]=4 1473 B11R1.280 COc1cc(C=O)ccc1O PI-34109 [0,2,0,0,0,0|0,0,2]=4 1474 B11R1.280 COc1ccc(O)c(C=O)c1 PI-27833 [0,2,0,0,0,0|2,0,0]=4 1475 B11R1.280 NCc1ccc(c(c1)C#N)F PI-33904 [0,2,0,0,0,0|2,0,0]=4 1476 B9R1.3 C1=CC=C(O)C(=C1O)Cl PI-10240 [0,0,1,1,0,0|1,0,1]=4 1477 B9R1.3 Cc1c(O)cccc1O PI-13269 [0,0,1,1,0,0|0,0,2]=4 1478 B9R1.3 Oc1cccc(c1N)O PI-32329 [0,0,1,1,0,0|1,0,1]=4 1479 B9R2.50 C1CC2=CC=CC=C21 PI-40928 [1,0,0,1,0,0|1,0,0]=3 1480 B11R2.34 BrC1=CC=C(C=C1)C2CC2 PI-40963 [0,1,0,1,0,0|2,0,0]=4 1481 B11R2.34 Clc1ccc(cc1)[C@@H]2OC2 PI-36332 [0,1,0,1,0,0|1,0,0]=3 1482 B11R2.36 Brc1ccc2c(c1)CCN2 PI-11096 [0,1,0,1,0,0|2,0,0]=4 1483 B11R2.36 C1=CC2=C(C=C1O)C=NN2 PI-44936 [0,1,0,1,0,0|2,0,0]=4 1484 B11R2.36 C1=CC2=C(C=C1O)NN=C2 PI-45210 [0,1,0,1,0,0|1,0,1]=4 1485 B11R2.36 C1=CC2=NON=C2C=C1O PI-20734 [0,1,0,1,0,0|1,0,0]=3 1486 B11R2.36 C1CC2=C(C1)C=C(C=C2)N PI-17685 [0,1,0,1,0,0|2,0,0]=4 1487 B11R2.36 C1CNC2=C1C=C(C=C2)Cl PI-11098 [0,1,0,1,0,0|2,0,0]=4 1488 B11R2.36 C1CNC2=C1C=C(C=C2)O PI-36194 [0,1,0,1,0,0|1,0,0]=3 1489 B11R2.36 C1CNC2=C1C=CC(=C2)Br PI-36067 [0,1,0,1,0,0|2,0,0]=4 1490 B11R2.36 C1COC2=C1C=C(C=C2)Br PI-21650 [0,1,0,1,0,0|2,0,0]=4 1491 B11R2.36 C1OC2=C(O1)C=C(C=C2)Cl PI-30880 [0,1,0,1,0,0|1,0,0]=3 1492 B11R2.36 C1OC2=C(O1)C=C(C=C2)N PI-12185 [0,1,0,1,0,0|1,0,0]=3 1493 B11R2.36 Clc1ccc2CCNc2c1 PI-36115 [0,1,0,1,0,0|2,0,0]=4 1494 B11R2.36 Oc1ccc2[nH]ccc2c1 PI-10314 [0,1,0,1,0,0|1,0,1]=4 1495 B11R2.36 Oc1ccc2c(c1)OCO2 PI-15354 [0,1,0,1,0,0|0,0,0]=2 1496 B11R2.36 Oc1ccc2c(c1)ncs2 PI-39219 [0,1,0,1,0,0|1,0,1]=4 1497 B11R2.36 Oc1ccc2cc[nH]c2c1 PI-16028 [0,1,0,1,0,0|1,0,1]=4 1498 B11R2.36 Oc1ccc2nc[nH]c2c1 PI-36411 [0,1,0,1,0,0|1,0,1]=4 1499 B11R2.36 SC1=CC=C2OCOC2=C1 PI-42647 [0,1,0,1,0,0|0,1,0]=3 1500 B11R2.190 O=CC1=CC=C2CCC2=C1 PI-40933 [0,1,0,1,0,0|1,0,1]=4 1501 B11R2.190 OCC1=CC=C2C=CC2=C1 PI-40934 [0,1,0,1,0,0|1,0,0]=3 1502 B7R1.1 BrCc1cscc1 PI-14311 [1,0,0,0,1,0|2,0,0]=4 1503 B7R1.1 C1=C(NC=N1)CO PI-31940 [1,0,0,0,1,0|2,0,0]=4 1504 B7R1.1 C1=C(SC=N1)CO PI-12202 [1,0,0,0,1,0|2,0,0]=4 1505 B7R1.1 C1=COC(=C1)CS PI-48474 [1,0,0,0,1,0|1,1,0]=4 1506 B7R1.1 C1=CSC(=C1)CCl PI-50490 [1,0,0,0,1,0|2,0,0]=4 1507 B7R1.1 C1=CSC(=C1)CO PI-11151 [1,0,0,0,1,0|1,0,0]=3 1508 B7R1.1 C1=CSC=C1CN PI-31789 [1,0,0,0,1,0|2,0,0]=4 1509 B7R1.1 C1=N[NH]C=C1CO PI-39407 [1,0,0,0,1,0|2,0,0]=4 1510 B7R1.1 CCC1=CC=CS1 PI-10993 [1,0,0,0,1,0|2,0,0]=4 1511 B7R1.1 CCC1=CSC=C1 PI-35073 [1,0,0,0,1,0|2,0,0]=4 1512 B7R1.1 CCN1C=CC=C1 PI-12065 [1,0,0,0,1,0|2,0,0]=4 1513 B7R1.1 NCc1cccs1 PI-11152 [1,0,0,0,1,0|2,0,0]=4 1514 B7R1.1 OCC1=NC=CN1 PI-36879 [1,0,0,0,1,0|2,0,0]=4 1515 B7R1.1 OCc1c[nH]cn1 PI-27482 [1,0,0,0,1,0|2,0,0]=4 1516 B7R1.1 OCc1cnco1 PI-38536 [1,0,0,0,1,0|2,0,0]=4 1517 B7R1.1 OCc1cscc1 PI-29874 [1,0,0,0,1,0|1,0,0]=3 1518 B7R1.1 OCc1cscn1 PI-25015 [1,0,0,0,1,0|2,0,0]=4 1519 B7R1.1 OCc1nccs1 PI-38807 [1,0,0,0,1,0|2,0,0]=4 1520 B7R1.2 CC1=CC(=CS1)Br PI-22178 [1,0,0,0,1,0|2,0,0]=4 1521 B7R1.2 CC1=CC=C(O1)C PI-44542 [1,0,0,0,1,0|2,0,0]=4 1522 B7R1.2 CC1=CC=C(S1)Br PI-11164 [1,0,0,0,1,0|2,0,0]=4 1523 B7R1.2 CC1=CC=C(S1)C PI-11158 [1,0,0,0,1,0|2,0,0]=4 1524 B7R1.2 Cc1[nH]cc(c1)C PI-10987 [1,0,0,0,1,0|2,0,0]=4 1525 B7R1.2 Cc1ccc(s1)Cl PI-29205 [1,0,0,0,1,0|2,0,0]=4 1526 B7R1.2 Cc1scc(c1)C PI-29816 [1,0,0,0,1,0|2,0,0]=4