0 B10R1.30 BrC1=C(C=C(C=C1)Cl)OC PI-41885 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.30 BrCc1cc(Cl)ccc1Cl PI-38192 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.30 BrCc1cc(Cl)ccc1F PI-20079 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.30 C1=C(Br)C=CC(=C1CO)O PI-12023 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.30 C1=C(Cl)C=CC(=C1C#N)F PI-28659 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.30 C1=C(Cl)C=CC(=C1C#N)N PI-11788 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.30 C1=CC(=C(C=C1Br)C#N)N PI-21368 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.30 C1=CC(=C(C=C1Br)C=O)Br PI-27892 [0,0,0,0,0,0|4,0,0]=4 8 B10R1.30 C1=CC(=C(C=C1Br)C=O)Cl PI-33366 [0,0,0,0,0,0|4,0,0]=4 9 B10R1.30 C1=CC(=C(C=C1Br)C=O)F PI-31330 [0,0,0,0,0,0|4,0,0]=4 10 B10R1.30 C1=CC(=C(C=C1Br)C=O)O PI-29253 [0,0,0,0,0,0|3,0,0]=3 11 B10R1.30 C1=CC(=C(C=C1Br)CN)N PI-44072 [0,0,0,0,0,0|4,0,0]=4 12 B10R1.30 C1=CC(=C(C=C1Br)CO)F PI-14437 [0,0,0,0,0,0|4,0,0]=4 13 B10R1.30 C1=CC(=C(C=C1Br)CO)N PI-46965 [0,0,0,0,0,0|4,0,0]=4 14 B10R1.30 C1=CC(=C(C=C1Cl)C#N)Cl PI-11756 [0,0,0,0,0,0|4,0,0]=4 15 B10R1.30 C1=CC(=C(C=C1Cl)C#N)O PI-44911 [0,0,0,0,0,0|3,0,0]=3 16 B10R1.30 C1=CC(=C(C=C1Cl)C=O)Cl PI-16092 [0,0,0,0,0,0|4,0,0]=4 17 B10R1.30 C1=CC(=C(C=C1Cl)C=O)F PI-10455 [0,0,0,0,0,0|4,0,0]=4 18 B10R1.30 C1=CC(=C(C=C1Cl)C=O)O PI-12029 [0,0,0,0,0,0|3,0,0]=3 19 B10R1.30 C1=CC(=C(C=C1Cl)CCl)Cl PI-27419 [0,0,0,0,0,0|4,0,0]=4 20 B10R1.30 C1=CC(=C(C=C1Cl)CO)Cl PI-30501 [0,0,0,0,0,0|4,0,0]=4 21 B10R1.30 C1=CC(=C(C=C1Cl)CO)O PI-12028 [0,0,0,0,0,0|3,0,0]=3 22 B10R1.30 C1=CC(=C(C=C1Cl)NN)Cl PI-29450 [0,0,0,0,0,0|4,0,0]=4 23 B10R1.30 C1=CC(=C(C=C1Cl)NN)Cl PI-29640 [0,0,0,0,0,0|4,0,0]=4 24 B10R1.30 C1=CC(=C(C=C1F)C#N)Cl PI-28660 [0,0,0,0,0,0|4,0,0]=4 25 B10R1.30 C1=CC(=C(C=C1F)C#N)F PI-28715 [0,0,0,0,0,0|4,0,0]=4 26 B10R1.30 C1=CC(=C(C=C1F)C#N)N PI-10682 [0,0,0,0,0,0|4,0,0]=4 27 B10R1.30 C1=CC(=C(C=C1F)C=O)Br PI-28896 [0,0,0,0,0,0|4,0,0]=4 28 B10R1.30 C1=CC(=C(C=C1F)C=O)Cl PI-10456 [0,0,0,0,0,0|4,0,0]=4 29 B10R1.30 C1=CC(=C(C=C1F)C=O)N PI-44253 [0,0,0,0,0,0|4,0,0]=4 30 B10R1.30 C1=CC(=C(C=C1F)C=O)O PI-10579 [0,0,0,0,0,0|3,0,0]=3 31 B10R1.30 C1=CC(=C(C=C1F)CBr)Br PI-14438 [0,0,0,0,0,0|4,0,0]=4 32 B10R1.30 C1=CC(=C(C=C1F)CBr)Cl PI-34130 [0,0,0,0,0,0|4,0,0]=4 33 B10R1.30 C1=CC(=C(C=C1F)CBr)F PI-13390 [0,0,0,0,0,0|4,0,0]=4 34 B10R1.30 C1=CC(=C(C=C1F)CN)F PI-31317 [0,0,0,0,0,0|4,0,0]=4 35 B10R1.30 C1=CC(=C(C=C1F)CO)Br PI-42946 [0,0,0,0,0,0|4,0,0]=4 36 B10R1.30 C1=CC(=C(C=C1F)CO)F PI-33073 [0,0,0,0,0,0|4,0,0]=4 37 B10R1.30 C1=CC(=C(C=C1F)NN)Cl PI-50546 [0,0,0,0,0,0|4,0,0]=4 38 B10R1.30 C1=CC(=C(C=C1F)NN)F PI-10633 [0,0,0,0,0,0|4,0,0]=4 39 B10R1.30 C1=CC(=C(C=C1F)NN)F PI-21223 [0,0,0,0,0,0|4,0,0]=4 40 B10R1.30 C1=CC(=C(C=C1I)C#N)F PI-10697 [0,0,0,0,0,0|4,0,0]=4 41 B10R1.30 C1=CC(=C(C=C1I)C=O)F PI-31572 [0,0,0,0,0,0|4,0,0]=4 42 B10R1.30 C1=CC(=C(C=C1I)C=O)O PI-27272 [0,0,0,0,0,0|3,0,0]=3 43 B10R1.30 C1=CC(=C(C=C1I)CO)Br PI-41207 [0,0,0,0,0,0|4,0,0]=4 44 B10R1.30 C1=CC(=C(C=C1N)C#N)F PI-28621 [0,0,0,0,0,0|4,0,0]=4 45 B10R1.30 CC1=C(C=C(C=C1)Cl)OC PI-10564 [0,0,0,0,0,0|2,0,0]=2 46 B10R1.30 CC1=C(C=C(C=C1)F)C#N PI-28817 [0,0,0,0,0,0|4,0,0]=4 47 B10R1.30 CC1=C(C=C(C=C1)F)C=O PI-10582 [0,0,0,0,0,0|4,0,0]=4 48 B10R1.30 CC1=C(C=C(C=C1)F)CBr PI-23755 [0,0,0,0,0,0|4,0,0]=4 49 B10R1.30 CC1=C(C=C(C=C1)F)NN PI-10636 [0,0,0,0,0,0|4,0,0]=4 50 B10R1.30 CC1=CC(=C(C=C1)C)C#C PI-19877 [0,0,0,0,0,0|2,0,1]=3 51 B10R1.30 CC1=CC(=C(C=C1)C)C#N PI-23423 [0,0,0,0,0,0|3,0,0]=3 52 B10R1.30 CC1=CC(=C(C=C1)C)C=O PI-27729 [0,0,0,0,0,0|3,0,0]=3 53 B10R1.30 CC1=CC(=C(C=C1)C)NN PI-29706 [0,0,0,0,0,0|3,0,0]=3 54 B10R1.30 CC1=CC(=C(C=C1)F)C#N PI-28713 [0,0,0,0,0,0|3,0,0]=3 55 B10R1.30 CC1=CC(=C(C=C1)F)C=O PI-10457 [0,0,0,0,0,0|3,0,0]=3 56 B10R1.30 CC1=CC(=C(C=C1)N)C#N PI-34275 [0,0,0,0,0,0|3,0,0]=3 57 B10R1.30 CC1=CC=C(O)C(CC)=N1 PI-33202 [0,0,0,0,0,0|2,0,0]=2 58 B10R1.30 CC1=NC(=C(C=C1)F)OC PI-34436 [0,0,0,0,0,0|2,0,0]=2 59 B10R1.30 CC1=NC(=C(C=C1)N)NC PI-35679 [0,0,0,0,0,0|3,0,0]=3 60 B10R1.30 CCC1=C(C=CC(=C1)O)O PI-19340 [0,0,0,0,0,0|2,0,0]=2 61 B10R1.30 CCc1cc(Br)ccc1I PI-21420 [0,0,0,0,0,0|3,0,0]=3 62 B10R1.30 CNC1=C(C=CC(=C1)F)Br PI-39646 [0,0,0,0,0,0|3,0,0]=3 63 B10R1.30 COC1=C(C=CC(=C1)Br)N PI-44941 [0,0,0,0,0,0|2,0,0]=2 64 B10R1.30 COC1=C(C=CC(=C1)Cl)Cl PI-21000 [0,0,0,0,0,0|2,0,0]=2 65 B10R1.30 COC1=C(C=CC(=C1)Cl)N PI-11332 [0,0,0,0,0,0|2,0,0]=2 66 B10R1.30 COC1=C(C=CC(=C1)F)Br PI-21434 [0,0,0,0,0,0|2,0,0]=2 67 B10R1.30 COC1=C(C=CC(=C1)F)F PI-12727 [0,0,0,0,0,0|2,0,0]=2 68 B10R1.30 COC1=C(C=CC(=C1)N)Br PI-33359 [0,0,0,0,0,0|2,0,0]=2 69 B10R1.30 COC1=C(C=CC(=C1)N)Cl PI-34236 [0,0,0,0,0,0|2,0,0]=2 70 B10R1.30 COC1=C(C=CC(=C1)N)F PI-10622 [0,0,0,0,0,0|2,0,0]=2 71 B10R1.30 COC1=C(N=CC(=C1)Br)N PI-34882 [0,0,0,0,0,0|3,0,0]=3 72 B10R1.30 COC1=C(O)C=CC(F)=C1 PI-27601 [0,0,0,0,0,0|1,0,0]=1 73 B10R1.30 COC1=CC(=CN=C1F)Br PI-43260 [0,0,0,0,0,0|3,0,0]=3 74 B10R1.30 COC1=CC(Br)=CN=C1Cl PI-41978 [0,0,0,0,0,0|3,0,0]=3 75 B10R1.30 COC1=NC(=CN=C1Cl)Br PI-45641 [0,0,0,0,0,0|4,0,0]=4 76 B10R1.30 COc1cc(Br)ccc1Cl PI-14389 [0,0,0,0,0,0|2,0,0]=2 77 B10R1.30 COc1cc(Br)ccc1F PI-34341 [0,0,0,0,0,0|2,0,0]=2 78 B10R1.30 COc1nc(Br)cnc1N PI-37313 [0,0,0,0,0,0|4,0,0]=4 79 B10R1.30 FC1=CC(=C(N)C=C1)OC PI-39749 [0,0,0,0,0,0|2,0,0]=2 80 B10R1.30 N#Cc1cc(Br)ccc1Cl PI-35251 [0,0,0,0,0,0|4,0,0]=4 81 B10R1.30 N#Cc1cc(Br)ccc1F PI-16380 [0,0,0,0,0,0|4,0,0]=4 82 B10R1.30 N#Cc1cc(Br)ccc1O PI-21509 [0,0,0,0,0,0|3,0,0]=3 83 B10R1.30 N#Cc1cc(Cl)ccc1Br PI-38901 [0,0,0,0,0,0|4,0,0]=4 84 B10R1.30 N#Cc1cc(F)ccc1Br PI-10686 [0,0,0,0,0,0|4,0,0]=4 85 B10R1.30 N#Cc1cc(N)ccc1N PI-17238 [0,0,0,0,0,0|4,0,0]=4 86 B10R1.30 N#Cc1cc(O)ccc1F PI-39223 [0,0,0,0,0,0|4,0,0]=4 87 B10R1.30 NCc1cc(Cl)ccc1F PI-20075 [0,0,0,0,0,0|4,0,0]=4 88 B10R1.30 NNC1=CC(Br)=CC=C1C PI-39726 [0,0,0,0,0,0|4,0,0]=4 89 B10R1.30 O=CC1=CC(Br)=CC=C1N PI-46730 [0,0,0,0,0,0|4,0,0]=4 90 B10R1.30 O=Cc1cc(Br)ccc1I PI-26850 [0,0,0,0,0,0|4,0,0]=4 91 B10R1.30 O=Cc1cc(C)ccc1O PI-10857 [0,0,0,0,0,0|2,0,0]=2 92 B10R1.30 O=Cc1cc(Cl)ccc1Br PI-33350 [0,0,0,0,0,0|4,0,0]=4 93 B10R1.30 O=Cc1cc(Cl)ccc1N PI-18302 [0,0,0,0,0,0|4,0,0]=4 94 B10R1.30 O=Cc1cc(F)ccc1F PI-10418 [0,0,0,0,0,0|4,0,0]=4 95 B10R1.30 O=Cc1cc(O)ccc1Br PI-27441 [0,0,0,0,0,0|4,0,0]=4 96 B10R1.30 O=Cc1cc(O)ccc1O PI-18118 [0,0,0,0,0,0|3,0,0]=3 97 B10R1.30 OC1=CC=C(C)N=C1CC PI-40313 [0,0,0,0,0,0|2,0,0]=2 98 B10R1.30 OCc1cc(Cl)ccc1Br PI-35234 [0,0,0,0,0,0|4,0,0]=4 99 B9R1.2 BrCc1cccc(I)c1 PI-29628 [1,0,0,0,0,0|3,0,0]=4 100 B9R1.2 BrCc1cccc(c1)Br PI-13393 [1,0,0,0,0,0|3,0,0]=4 101 B9R1.2 BrCc1cccc(c1)Cl PI-23167 [1,0,0,0,0,0|3,0,0]=4 102 B9R1.2 C#CC1=CC(=CC=C1)Br PI-30913 [1,0,0,0,0,0|2,0,1]=4 103 B9R1.2 C#CC1=CC(=CC=C1)Cl PI-30914 [1,0,0,0,0,0|2,0,1]=4 104 B9R1.2 C#CC1=CC(=CC=C1)F PI-30388 [1,0,0,0,0,0|2,0,1]=4 105 B9R1.2 C#Cc1cccc(N)c1 PI-10850 [1,0,0,0,0,0|2,0,1]=4 106 B9R1.2 C1=CC(=CC(=C1)Br)C#N PI-30857 [1,0,0,0,0,0|3,0,0]=4 107 B9R1.2 C1=CC(=CC(=C1)Br)CCl PI-35258 [1,0,0,0,0,0|3,0,0]=4 108 B9R1.2 C1=CC(=CC(=C1)Br)CO PI-10954 [1,0,0,0,0,0|3,0,0]=4 109 B9R1.2 C1=CC(=CC(=C1)Cl)CCl PI-34222 [1,0,0,0,0,0|3,0,0]=4 110 B9R1.2 C1=CC(=CC(=C1)Cl)NN PI-29369 [1,0,0,0,0,0|3,0,0]=4 111 B9R1.2 C1=CC(=CC(=C1)F)CBr PI-13389 [1,0,0,0,0,0|3,0,0]=4 112 B9R1.2 C1=CC(=CC(=C1)F)CCl PI-34129 [1,0,0,0,0,0|3,0,0]=4 113 B9R1.2 C1=CC(=CC(=C1)F)CO PI-16873 [1,0,0,0,0,0|3,0,0]=4 114 B9R1.2 C1=CC(=CC(=C1)F)NN PI-29439 [1,0,0,0,0,0|3,0,0]=4 115 B9R1.2 C1=CC(=CC(=C1)I)C=O PI-27854 [1,0,0,0,0,0|3,0,0]=4 116 B9R1.2 C1=CC(=CC(=C1)N)C=O PI-27126 [1,0,0,0,0,0|3,0,0]=4 117 B9R1.2 C1=CC(=CC(=C1)O)C#N PI-35245 [1,0,0,0,0,0|3,0,0]=4 118 B9R1.2 C1=CC(=CC(=C1)O)CBr PI-43991 [1,0,0,0,0,0|3,0,0]=4 119 B9R1.2 C1=CC(=CC(=C1)O)CO PI-11929 [1,0,0,0,0,0|3,0,0]=4 120 B9R1.2 C=CC1=CC(=CC=C1)Br PI-22598 [1,0,0,0,0,0|2,0,1]=4 121 B9R1.2 C=Cc1cccc(c1)C PI-40767 [1,0,0,0,0,0|1,0,1]=3 122 B9R1.2 CC1=CC(=CC=C1)C=O PI-11938 [1,0,0,0,0,0|2,0,0]=3 123 B9R1.2 CC1=CC(=CC=C1)CN PI-35861 [1,0,0,0,0,0|2,0,0]=3 124 B9R1.2 CC1=CC(=CN=C1)C=O PI-43924 [1,0,0,0,0,0|3,0,0]=4 125 B9R1.2 CC1=CC(=NC=C1)C#N PI-11834 [1,0,0,0,0,0|3,0,0]=4 126 B9R1.2 CC1=CC=CC(=N1)C#N PI-44998 [1,0,0,0,0,0|3,0,0]=4 127 B9R1.2 CC1=NC(=CC=C1)C=C PI-27081 [1,0,0,0,0,0|2,0,1]=4 128 B9R1.2 CC1=NC(=CC=C1)C=O PI-16691 [1,0,0,0,0,0|3,0,0]=4 129 B9R1.2 CC1=NC(=CC=C1)NN PI-36907 [1,0,0,0,0,0|3,0,0]=4 130 B9R1.2 CC1=NC(=CC=C1)OC PI-10858 [1,0,0,0,0,0|1,0,0]=2 131 B9R1.2 CC1=NC=CC(=N1)OC PI-44930 [1,0,0,0,0,0|2,0,0]=3 132 B9R1.2 CCC1=CC(=CC=C1)Br PI-21410 [1,0,0,0,0,0|2,0,0]=3 133 B9R1.2 CCC1=CC(=NC=C1)Br PI-24478 [1,0,0,0,0,0|3,0,0]=4 134 B9R1.2 CCc1cccc(N)n1 PI-30318 [1,0,0,0,0,0|3,0,0]=4 135 B9R1.2 CCc1ccnc(c1)N PI-30483 [1,0,0,0,0,0|3,0,0]=4 136 B9R1.2 CNc1cccc(c1)F PI-29299 [1,0,0,0,0,0|2,0,0]=3 137 B9R1.2 COC1=CC(=CC=C1)Br PI-12683 [1,0,0,0,0,0|1,0,0]=2 138 B9R1.2 COC1=CC(=CC=C1)S PI-13025 [1,0,0,0,0,0|1,0,0]=2 139 B9R1.2 COC1=CC(=NC=C1)Cl PI-27253 [1,0,0,0,0,0|2,0,0]=3 140 B9R1.2 COC1=CC(=NC=C1)N PI-31930 [1,0,0,0,0,0|2,0,0]=3 141 B9R1.2 COC1=CC(=NC=N1)Cl PI-16342 [1,0,0,0,0,0|3,0,0]=4 142 B9R1.2 COC1=CC(=O)NC=C1 PI-47311 [1,0,0,0,0,0|2,0,0]=3 143 B9R1.2 COC1=CC(Cl)=CC=C1 PI-31362 [1,0,0,0,0,0|1,0,0]=2 144 B9R1.2 COC1=CC(F)=CC=C1 PI-12220 [1,0,0,0,0,0|1,0,0]=2 145 B9R1.2 COC1=NC(=CC=C1)Br PI-34471 [1,0,0,0,0,0|2,0,0]=3 146 B9R1.2 COC1=NC(=NC=C1)Br PI-45082 [1,0,0,0,0,0|3,0,0]=4 147 B9R1.2 COC1=NC(=NC=C1)Cl PI-45081 [1,0,0,0,0,0|3,0,0]=4 148 B9R1.2 COC1=NC=CC(=C1)I PI-36520 [1,0,0,0,0,0|2,0,0]=3 149 B9R1.2 COC1=NC=CC(Br)=N1 PI-46750 [1,0,0,0,0,0|3,0,0]=4 150 B9R1.2 COC1=NC=NC(=C1)N PI-11959 [1,0,0,0,0,0|3,0,0]=4 151 B9R1.2 COc1cc(Br)cnc1 PI-38259 [1,0,0,0,0,0|2,0,0]=3 152 B9R1.2 COc1cc(Cl)ccn1 PI-26867 [1,0,0,0,0,0|2,0,0]=3 153 B9R1.2 COc1cc(N)ccn1 PI-26277 [1,0,0,0,0,0|2,0,0]=3 154 B9R1.2 COc1cc(N)cnc1 PI-33855 [1,0,0,0,0,0|2,0,0]=3 155 B9R1.2 COc1cccc(c1)O PI-34658 [1,0,0,0,0,0|1,0,0]=2 156 B9R1.2 COc1ccnc(I)n1 PI-36437 [1,0,0,0,0,0|3,0,0]=4 157 B9R1.2 CSC1=CC(=CC=C1)Br PI-11915 [1,0,0,0,0,0|1,1,0]=3 158 B9R1.2 CSC1=CC(=CC=C1)Cl PI-20243 [1,0,0,0,0,0|1,1,0]=3 159 B9R1.2 CSc1cccc(c1)N PI-11908 [1,0,0,0,0,0|1,1,0]=3 160 B9R1.2 Clc1cccc(c1)C#N PI-31301 [1,0,0,0,0,0|3,0,0]=4 161 B9R1.2 N#Cc1cccc(F)c1 PI-16864 [1,0,0,0,0,0|3,0,0]=4 162 B9R1.2 N#Cc1cccc(c1)I PI-10114 [1,0,0,0,0,0|3,0,0]=4 163 B9R1.2 NCc1cccc(Cl)c1 PI-15673 [1,0,0,0,0,0|3,0,0]=4 164 B9R1.2 NCc1cccc(c1)Br PI-21372 [1,0,0,0,0,0|3,0,0]=4 165 B9R1.2 NCc1cccc(c1)Br PI-38545 [1,0,0,0,0,0|3,0,0]=4 166 B9R1.2 NCc1cccc(c1)F PI-23480 [1,0,0,0,0,0|3,0,0]=4 167 B9R1.2 NNc1cccc(c1)Br PI-29422 [1,0,0,0,0,0|3,0,0]=4 168 B9R1.2 NNc1cccc(c1)C PI-29814 [1,0,0,0,0,0|2,0,0]=3 169 B9R1.2 O=Cc1cccc(c1)Br PI-34503 [1,0,0,0,0,0|3,0,0]=4 170 B9R1.2 O=Cc1cccc(c1)Cl PI-27742 [1,0,0,0,0,0|3,0,0]=4 171 B9R1.2 O=Cc1cccc(c1)F PI-11925 [1,0,0,0,0,0|3,0,0]=4 172 B9R1.2 O=Cc1cccc(c1)N PI-11906 [1,0,0,0,0,0|3,0,0]=4 173 B9R1.2 O=Cc1cccc(c1)O PI-34273 [1,0,0,0,0,0|3,0,0]=4 174 B9R1.2 OCC1=CC(C)=NC=C1 PI-36994 [1,0,0,0,0,0|3,0,0]=4 175 B9R1.2 OCc1cccc(c1)C PI-38620 [1,0,0,0,0,0|2,0,0]=3 176 B9R1.2 OCc1cccc(c1)Cl PI-11919 [1,0,0,0,0,0|3,0,0]=4 177 B9R1.2 SCc1cccc(F)c1 PI-23495 [1,0,0,0,0,0|3,0,0]=4 178 B9R1.2 [C-]#[N+]C1=CC(=CC=C1)Br PI-22496 [1,0,0,0,0,0|2,0,1]=4 179 B9R1.15 BrCc1ccccc1Br PI-11809 [1,0,0,0,0,0|3,0,0]=4 180 B9R1.15 BrCc1ccccc1I PI-29573 [1,0,0,0,0,0|3,0,0]=4 181 B9R1.15 C#CC1=CC=CC=C1Cl PI-30962 [1,0,0,0,0,0|2,0,1]=4 182 B9R1.15 C#CC1=CC=CC=C1F PI-30912 [1,0,0,0,0,0|2,0,1]=4 183 B9R1.15 C#Cc1ccccc1Br PI-30911 [1,0,0,0,0,0|2,0,1]=4 184 B9R1.15 C1=CC(=C(N=C1)C#N)O PI-31932 [1,0,0,0,0,0|3,0,0]=4 185 B9R1.15 C1=CC(=C(N=C1)C=O)O PI-20863 [1,0,0,0,0,0|3,0,0]=4 186 B9R1.15 C1=CC(=C(N=C1)CO)O PI-16743 [1,0,0,0,0,0|3,0,0]=4 187 B9R1.15 C1=CC=C(C(=C1)C#N)I PI-10113 [1,0,0,0,0,0|3,0,0]=4 188 B9R1.15 C1=CC=C(C(=C1)C=O)Br PI-11807 [1,0,0,0,0,0|3,0,0]=4 189 B9R1.15 C1=CC=C(C(=C1)CBr)Cl PI-11821 [1,0,0,0,0,0|3,0,0]=4 190 B9R1.15 C1=CC=C(C(=C1)CBr)F PI-28536 [1,0,0,0,0,0|3,0,0]=4 191 B9R1.15 C1=CC=C(C(=C1)CCl)F PI-34128 [1,0,0,0,0,0|3,0,0]=4 192 B9R1.15 C1=CC=C(C(=C1)CN)Br PI-11810 [1,0,0,0,0,0|3,0,0]=4 193 B9R1.15 C1=CC=C(C(=C1)CN)Cl PI-11822 [1,0,0,0,0,0|3,0,0]=4 194 B9R1.15 C1=CC=C(C(=C1)CN)F PI-31326 [1,0,0,0,0,0|3,0,0]=4 195 B9R1.15 C1=CC=C(C(=C1)CO)Br PI-30250 [1,0,0,0,0,0|3,0,0]=4 196 B9R1.15 C1=CC=C(C(=C1)CO)Cl PI-23166 [1,0,0,0,0,0|3,0,0]=4 197 B9R1.15 C1=CC=C(C(=C1)CO)N PI-11798 [1,0,0,0,0,0|3,0,0]=4 198 B9R1.15 C1=CC=C(C(=C1)CS)Br PI-20548 [1,0,0,0,0,0|3,0,0]=4 199 B9R1.15 C1=CC=C(C(=C1)CS)Cl PI-11007 [1,0,0,0,0,0|3,0,0]=4 200 B9R1.15 C1=CC=C(C(=C1)NN)Br PI-11813 [1,0,0,0,0,0|3,0,0]=4 201 B9R1.15 C1=CC=C(C(=C1)NN)Cl PI-29581 [1,0,0,0,0,0|3,0,0]=4 202 B9R1.15 C1=CC=C(C(=C1)NN)F PI-16908 [1,0,0,0,0,0|3,0,0]=4 203 B9R1.15 C1=CC=C(C(=C1)NN)F PI-31140 [1,0,0,0,0,0|3,0,0]=4 204 B9R1.15 C1=CN=CC(=C1C=O)O PI-34863 [1,0,0,0,0,0|3,0,0]=4 205 B9R1.15 C=CC1=CC=CC=C1Br PI-14519 [1,0,0,0,0,0|2,0,1]=4 206 B9R1.15 C=Cc1ccccc1F PI-33746 [1,0,0,0,0,0|2,0,1]=4 207 B9R1.15 CC1=CC=CC=C1C=O PI-27677 [1,0,0,0,0,0|3,0,0]=4 208 B9R1.15 CCC1=CC=CC=C1Br PI-19276 [1,0,0,0,0,0|2,0,0]=3 209 B9R1.15 CCC1=CC=CC=C1Cl PI-19970 [1,0,0,0,0,0|2,0,0]=3 210 B9R1.15 CCC1=CC=CC=C1I PI-19242 [1,0,0,0,0,0|2,0,0]=3 211 B9R1.15 CC[N+]1=CC=CC=C1Br PI-14423 [1,0,0,0,0,0|3,0,0]=4 212 B9R1.15 CC[N+]1=CC=CC=C1C PI-39505 [1,0,0,0,0,0|3,0,0]=4 213 B9R1.15 CCc1ccccc1C PI-36541 [1,0,0,0,0,0|2,0,0]=3 214 B9R1.15 CNC1=CC=CC=C1F PI-28236 [1,0,0,0,0,0|2,0,0]=3 215 B9R1.15 CNC1=CC=CC=C1N PI-23401 [1,0,0,0,0,0|2,0,0]=3 216 B9R1.15 CNC1=CC=CC=C1N PI-28564 [1,0,0,0,0,0|2,0,0]=3 217 B9R1.15 CNc1cccnc1Cl PI-32645 [1,0,0,0,0,0|3,0,0]=4 218 B9R1.15 COC1=C(C=CC=N1)Br PI-26112 [1,0,0,0,0,0|2,0,0]=3 219 B9R1.15 COC1=C(C=CC=N1)N PI-24213 [1,0,0,0,0,0|2,0,0]=3 220 B9R1.15 COC1=C(N=CC=C1)I PI-26982 [1,0,0,0,0,0|2,0,0]=3 221 B9R1.15 COC1=CC=CC=C1Br PI-34200 [1,0,0,0,0,0|1,0,0]=2 222 B9R1.15 COC1=CC=CC=C1Cl PI-34199 [1,0,0,0,0,0|1,0,0]=2 223 B9R1.15 COC1=CC=CC=C1F PI-12348 [1,0,0,0,0,0|1,0,0]=2 224 B9R1.15 COC1=CC=CC=C1I PI-50209 [1,0,0,0,0,0|1,0,0]=2 225 B9R1.15 COC1=NC=NC=C1Br PI-45125 [1,0,0,0,0,0|3,0,0]=4 226 B9R1.15 COC1=NC=NC=C1Cl PI-45151 [1,0,0,0,0,0|3,0,0]=4 227 B9R1.15 COc1ccc[nH]c1=O PI-26288 [1,0,0,0,0,0|1,0,1]=3 228 B9R1.15 COc1ccccc1S PI-21364 [1,0,0,0,0,0|0,1,0]=2 229 B9R1.15 COc1cccnc1Br PI-26342 [1,0,0,0,0,0|2,0,0]=3 230 B9R1.15 COc1cccnc1Cl PI-27671 [1,0,0,0,0,0|2,0,0]=3 231 B9R1.15 COc1cncnc1Cl PI-36368 [1,0,0,0,0,0|3,0,0]=4 232 B9R1.15 COc1nccnc1C PI-11042 [1,0,0,0,0,0|3,0,0]=4 233 B9R1.15 CSC1=CC=CC=C1Br PI-11815 [1,0,0,0,0,0|1,1,0]=3 234 B9R1.15 CSC1=CC=CC=C1Cl PI-11833 [1,0,0,0,0,0|1,1,0]=3 235 B9R1.15 CSC1=CC=CC=C1F PI-11849 [1,0,0,0,0,0|1,1,0]=3 236 B9R1.15 CSC1=CC=CC=C1O PI-20874 [1,0,0,0,0,0|0,1,0]=2 237 B9R1.15 CSc1ccccc1I PI-13705 [1,0,0,0,0,0|1,1,0]=3 238 B9R1.15 N#Cc1ccccc1Br PI-11808 [1,0,0,0,0,0|3,0,0]=4 239 B9R1.15 N#Cc1ccccc1Cl PI-34735 [1,0,0,0,0,0|3,0,0]=4 240 B9R1.15 N#Cc1ccccc1F PI-27555 [1,0,0,0,0,0|3,0,0]=4 241 B9R1.15 N#Cc1ccccc1N PI-11517 [1,0,0,0,0,0|3,0,0]=4 242 B9R1.15 N#Cc1ccccc1O PI-11836 [1,0,0,0,0,0|2,0,0]=3 243 B9R1.15 NC1=NC=CC=C1OC PI-39996 [1,0,0,0,0,0|2,0,0]=3 244 B9R1.15 NCc1ccccc1Br PI-38543 [1,0,0,0,0,0|3,0,0]=4 245 B9R1.15 NNc1ccccc1C PI-29808 [1,0,0,0,0,0|3,0,0]=4 246 B9R1.15 O=CC1=CC=CC=C1I PI-27403 [1,0,0,0,0,0|3,0,0]=4 247 B9R1.15 O=Cc1ccccc1Cl PI-34387 [1,0,0,0,0,0|3,0,0]=4 248 B9R1.15 O=Cc1ccccc1F PI-27600 [1,0,0,0,0,0|3,0,0]=4 249 B9R1.15 OCc1ccccc1F PI-28537 [1,0,0,0,0,0|3,0,0]=4 250 B9R1.15 OCc1ccccc1O PI-36548 [1,0,0,0,0,0|2,0,0]=3 251 B9R1.15 SCc1ccccc1F PI-23494 [1,0,0,0,0,0|3,0,0]=4 252 B9R1.15 [C-]#[N+]c1ccccc1Br PI-22495 [1,0,0,0,0,0|2,0,1]=4 253 B9R1.69 BrC1=CC(=C(C=C1)C)Cl PI-20673 [1,0,0,0,0,0|3,0,0]=4 254 B9R1.69 BrC1=CN=C(C(=C1)C)C PI-41495 [1,0,0,0,0,0|3,0,0]=4 255 B9R1.69 Brc1ccc(=O)n(C)c1 PI-35908 [1,0,0,0,0,0|2,0,1]=4 256 B9R1.69 Brc1ccc(N)c(C)c1 PI-11003 [1,0,0,0,0,0|2,0,0]=3 257 B9R1.69 Brc1ccc(N)c(N)c1 PI-34413 [1,0,0,0,0,0|3,0,0]=4 258 B9R1.69 Brc1ccc(c(c1)Br)F PI-28149 [1,0,0,0,0,0|3,0,0]=4 259 B9R1.69 Brc1ccc(c(c1)C)I PI-21533 [1,0,0,0,0,0|2,0,0]=3 260 B9R1.69 Brc1ccc(c(c1)F)Br PI-20968 [1,0,0,0,0,0|3,0,0]=4 261 B9R1.69 Brc1ccc(c(c1)F)Cl PI-28679 [1,0,0,0,0,0|3,0,0]=4 262 B9R1.69 Brc1ccc(c(c1)F)F PI-10759 [1,0,0,0,0,0|3,0,0]=4 263 B9R1.69 Brc1ccc(c(c1)F)O PI-31106 [1,0,0,0,0,0|2,0,0]=3 264 B9R1.69 Brc1ccc(c(c1)N)F PI-21432 [1,0,0,0,0,0|3,0,0]=4 265 B9R1.69 Brc1ccc(c(c1)O)F PI-33069 [1,0,0,0,0,0|2,0,0]=3 266 B9R1.69 Brc1cnc(Br)c(C)c1 PI-16819 [1,0,0,0,0,0|3,0,0]=4 267 B9R1.69 Brc1ncc(N)c(C)c1 PI-20000 [1,0,0,0,0,0|3,0,0]=4 268 B9R1.69 C1=C(C(=CC=C1Br)O)C PI-22157 [1,0,0,0,0,0|1,0,0]=2 269 B9R1.69 C1=C(C(=CC=C1F)O)C PI-16986 [1,0,0,0,0,0|1,0,0]=2 270 B9R1.69 C1=C(C(=CN=C1Cl)O)N PI-43996 [1,0,0,0,0,0|3,0,0]=4 271 B9R1.69 C1=C(C(=CNC1=O)Cl)O PI-33382 [1,0,0,0,0,0|3,0,0]=4 272 B9R1.69 C1=C(C(=O)NC=C1Br)O PI-46997 [1,0,0,0,0,0|2,0,1]=4 273 B9R1.69 C1=CC(=C(C=C1Br)Cl)Cl PI-21594 [1,0,0,0,0,0|3,0,0]=4 274 B9R1.69 C1=CC(=C(C=C1Br)Cl)I PI-20639 [1,0,0,0,0,0|3,0,0]=4 275 B9R1.69 C1=CC(=C(C=C1Br)Cl)N PI-20600 [1,0,0,0,0,0|3,0,0]=4 276 B9R1.69 C1=CC(=C(C=C1Br)F)N PI-21433 [1,0,0,0,0,0|3,0,0]=4 277 B9R1.69 C1=CC(=C(C=C1Br)F)N PI-32450 [1,0,0,0,0,0|3,0,0]=4 278 B9R1.69 C1=CC(=C(C=C1Br)N)O PI-33346 [1,0,0,0,0,0|2,0,0]=3 279 B9R1.69 C1=CC(=C(C=C1Br)O)Cl PI-32432 [1,0,0,0,0,0|2,0,0]=3 280 B9R1.69 C1=CC(=C(C=C1Cl)Br)O PI-33867 [1,0,0,0,0,0|2,0,0]=3 281 B9R1.69 C1=CC(=C(C=C1Cl)Cl)Br PI-21592 [1,0,0,0,0,0|3,0,0]=4 282 B9R1.69 C1=CC(=C(C=C1Cl)Cl)F PI-16889 [1,0,0,0,0,0|3,0,0]=4 283 B9R1.69 C1=CC(=C(C=C1Cl)Cl)S PI-21086 [1,0,0,0,0,0|2,1,0]=4 284 B9R1.69 C1=CC(=C(C=C1Cl)F)Cl PI-16933 [1,0,0,0,0,0|3,0,0]=4 285 B9R1.69 C1=CC(=C(C=C1Cl)F)I PI-20092 [1,0,0,0,0,0|3,0,0]=4 286 B9R1.69 C1=CC(=C(C=C1Cl)F)N PI-31238 [1,0,0,0,0,0|3,0,0]=4 287 B9R1.69 C1=CC(=C(C=C1Cl)F)O PI-28420 [1,0,0,0,0,0|2,0,0]=3 288 B9R1.69 C1=CC(=C(C=C1Cl)I)Cl PI-21046 [1,0,0,0,0,0|3,0,0]=4 289 B9R1.69 C1=CC(=C(C=C1Cl)N)F PI-28267 [1,0,0,0,0,0|3,0,0]=4 290 B9R1.69 C1=CC(=C(C=C1Cl)N)N PI-16272 [1,0,0,0,0,0|3,0,0]=4 291 B9R1.69 C1=CC(=C(C=C1Cl)O)Br PI-34266 [1,0,0,0,0,0|2,0,0]=3 292 B9R1.69 C1=CC(=C(C=C1Cl)O)N PI-11790 [1,0,0,0,0,0|2,0,0]=3 293 B9R1.69 C1=CC(=C(C=C1Cl)S)Cl PI-21357 [1,0,0,0,0,0|2,1,0]=4 294 B9R1.69 C1=CC(=C(C=C1F)Br)Br PI-20967 [1,0,0,0,0,0|3,0,0]=4 295 B9R1.69 C1=CC(=C(C=C1F)Br)Cl PI-20627 [1,0,0,0,0,0|3,0,0]=4 296 B9R1.69 C1=CC(=C(C=C1F)Br)F PI-28496 [1,0,0,0,0,0|3,0,0]=4 297 B9R1.69 C1=CC(=C(C=C1F)Br)N PI-16538 [1,0,0,0,0,0|3,0,0]=4 298 B9R1.69 C1=CC(=C(C=C1F)Cl)Br PI-20629 [1,0,0,0,0,0|3,0,0]=4 299 B9R1.69 C1=CC(=C(C=C1F)Cl)Cl PI-16890 [1,0,0,0,0,0|3,0,0]=4 300 B9R1.69 C1=CC(=C(C=C1F)Cl)O PI-16901 [1,0,0,0,0,0|2,0,0]=3 301 B9R1.69 C1=CC(=C(C=C1F)F)Cl PI-16888 [1,0,0,0,0,0|3,0,0]=4 302 B9R1.69 C1=CC(=C(C=C1F)F)O PI-16940 [1,0,0,0,0,0|2,0,0]=3 303 B9R1.69 C1=CC(=C(C=C1F)I)Br PI-14444 [1,0,0,0,0,0|3,0,0]=4 304 B9R1.69 C1=CC(=C(C=C1F)I)N PI-10294 [1,0,0,0,0,0|3,0,0]=4 305 B9R1.69 C1=CC(=C(C=C1F)N)Cl PI-28546 [1,0,0,0,0,0|3,0,0]=4 306 B9R1.69 C1=CC(=C(C=C1F)N)I PI-10621 [1,0,0,0,0,0|3,0,0]=4 307 B9R1.69 C1=CC(=C(C=C1F)N)N PI-30535 [1,0,0,0,0,0|3,0,0]=4 308 B9R1.69 C1=CC(=C(C=C1F)O)N PI-28627 [1,0,0,0,0,0|2,0,0]=3 309 B9R1.69 C1=CC(=C(C=C1I)Cl)Cl PI-30279 [1,0,0,0,0,0|3,0,0]=4 310 B9R1.69 C1=CC(=C(C=C1I)Cl)F PI-17308 [1,0,0,0,0,0|3,0,0]=4 311 B9R1.69 C1=CC(=C(C=C1I)Cl)N PI-12088 [1,0,0,0,0,0|3,0,0]=4 312 B9R1.69 C1=CC(=C(C=C1I)F)F PI-28714 [1,0,0,0,0,0|3,0,0]=4 313 B9R1.69 C1=CC(=C(C=C1I)F)N PI-16385 [1,0,0,0,0,0|3,0,0]=4 314 B9R1.69 C1=CC(=C(C=C1I)F)O PI-43132 [1,0,0,0,0,0|2,0,0]=3 315 B9R1.69 C1=CC(=C(C=C1N)Cl)F PI-15213 [1,0,0,0,0,0|3,0,0]=4 316 B9R1.69 C1=CC(=C(C=C1N)Cl)N PI-30776 [1,0,0,0,0,0|3,0,0]=4 317 B9R1.69 C1=CC(=C(C=C1N)F)Cl PI-28447 [1,0,0,0,0,0|3,0,0]=4 318 B9R1.69 C1=CC(=C(C=C1N)I)N PI-34733 [1,0,0,0,0,0|3,0,0]=4 319 B9R1.69 C1=CC(=C(C=C1N)N)F PI-28702 [1,0,0,0,0,0|3,0,0]=4 320 B9R1.69 C1=CC(=C(C=C1N)N)N PI-30777 [1,0,0,0,0,0|3,0,0]=4 321 B9R1.69 C1=CC(=C(C=C1O)Cl)F PI-16912 [1,0,0,0,0,0|3,0,0]=4 322 B9R1.69 C1=CC(=C(C=C1O)F)Cl PI-10651 [1,0,0,0,0,0|3,0,0]=4 323 B9R1.69 C1=CC(=C(C=C1O)F)N PI-16958 [1,0,0,0,0,0|3,0,0]=4 324 B9R1.69 C1=CC(=C(C=C1S)Cl)Cl PI-21087 [1,0,0,0,0,0|3,0,0]=4 325 B9R1.69 C1=CC(=C(C=C1S)Cl)F PI-20118 [1,0,0,0,0,0|3,0,0]=4 326 B9R1.69 C1=CC(=C(C=C1S)F)F PI-28680 [1,0,0,0,0,0|3,0,0]=4 327 B9R1.69 C1=CC(=C(C=C1S)S)Cl PI-11011 [1,0,0,0,0,0|2,1,0]=4 328 B9R1.69 C1=CC(=O)C(=CC1=O)Cl PI-17305 [1,0,0,0,0,0|2,0,1]=4 329 B9R1.69 CC1=C(C=C(C=C1)Br)N PI-31358 [1,0,0,0,0,0|3,0,0]=4 330 B9R1.69 CC1=C(C=C(C=C1)Cl)Br PI-20668 [1,0,0,0,0,0|3,0,0]=4 331 B9R1.69 CC1=C(C=C(C=C1)Cl)F PI-16988 [1,0,0,0,0,0|3,0,0]=4 332 B9R1.69 CC1=C(C=C(C=C1)Cl)I PI-19456 [1,0,0,0,0,0|3,0,0]=4 333 B9R1.69 CC1=C(C=C(C=C1)Cl)O PI-28617 [1,0,0,0,0,0|2,0,0]=3 334 B9R1.69 CC1=C(C=C(C=C1)F)C PI-11592 [1,0,0,0,0,0|2,0,0]=3 335 B9R1.69 CC1=C(C=C(C=C1)F)Cl PI-28544 [1,0,0,0,0,0|3,0,0]=4 336 B9R1.69 CC1=C(C=C(C=C1)F)F PI-28545 [1,0,0,0,0,0|3,0,0]=4 337 B9R1.69 CC1=C(C=C(C=C1)F)I PI-10676 [1,0,0,0,0,0|3,0,0]=4 338 B9R1.69 CC1=C(C=C(C=C1)F)N PI-16382 [1,0,0,0,0,0|3,0,0]=4 339 B9R1.69 CC1=C(C=C(C=C1)I)F PI-10672 [1,0,0,0,0,0|3,0,0]=4 340 B9R1.69 CC1=C(C=C(C=C1)I)N PI-19927 [1,0,0,0,0,0|3,0,0]=4 341 B9R1.69 CC1=C(C=C(C=C1)N)Br PI-10966 [1,0,0,0,0,0|3,0,0]=4 342 B9R1.69 CC1=C(C=C(C=C1)N)Cl PI-34322 [1,0,0,0,0,0|3,0,0]=4 343 B9R1.69 CC1=C(C=C(C=C1)N)F PI-16383 [1,0,0,0,0,0|3,0,0]=4 344 B9R1.69 CC1=C(C=C(C=C1)N)I PI-19496 [1,0,0,0,0,0|3,0,0]=4 345 B9R1.69 CC1=C(C=C(C=C1)N)O PI-11314 [1,0,0,0,0,0|2,0,0]=3 346 B9R1.69 CC1=C(C=C(C=C1)O)N PI-11312 [1,0,0,0,0,0|3,0,0]=4 347 B9R1.69 CC1=C(C=C(C=C1)S)C PI-11009 [1,0,0,0,0,0|2,0,0]=3 348 B9R1.69 CC1=C(C=CC(=C1)Br)Cl PI-20675 [1,0,0,0,0,0|2,0,0]=3 349 B9R1.69 CC1=C(C=CC(=C1)Br)F PI-31216 [1,0,0,0,0,0|2,0,0]=3 350 B9R1.69 CC1=C(C=CC(=C1)Cl)F PI-28542 [1,0,0,0,0,0|2,0,0]=3 351 B9R1.69 CC1=C(C=CC(=C1)Cl)N PI-34323 [1,0,0,0,0,0|2,0,0]=3 352 B9R1.69 CC1=C(C=CC(=C1)Cl)O PI-11333 [1,0,0,0,0,0|1,0,0]=2 353 B9R1.69 CC1=C(C=CC(=C1)F)Br PI-16983 [1,0,0,0,0,0|2,0,0]=3 354 B9R1.69 CC1=C(C=CC(=C1)F)Cl PI-16931 [1,0,0,0,0,0|2,0,0]=3 355 B9R1.69 CC1=C(C=CC(=C1)F)F PI-28543 [1,0,0,0,0,0|2,0,0]=3 356 B9R1.69 CC1=C(C=CC(=C1)F)I PI-10678 [1,0,0,0,0,0|2,0,0]=3 357 B9R1.69 CC1=C(C=CC(=C1)F)N PI-16985 [1,0,0,0,0,0|2,0,0]=3 358 B9R1.69 CC1=C(C=CC(=C1)I)Cl PI-19072 [1,0,0,0,0,0|2,0,0]=3 359 B9R1.69 CC1=C(C=CC(=C1)I)F PI-10673 [1,0,0,0,0,0|2,0,0]=3 360 B9R1.69 CC1=C(C=CC(=C1)I)N PI-30113 [1,0,0,0,0,0|2,0,0]=3 361 B9R1.69 CC1=C(C=CC(=C1)N)Cl PI-24577 [1,0,0,0,0,0|2,0,0]=3 362 B9R1.69 CC1=C(C=CC(=C1)N)F PI-16984 [1,0,0,0,0,0|2,0,0]=3 363 B9R1.69 CC1=C(C=CC(=C1)N)O PI-10082 [1,0,0,0,0,0|1,0,0]=2 364 B9R1.69 CC1=C(C=CC(=C1)O)F PI-10655 [1,0,0,0,0,0|2,0,0]=3 365 B9R1.69 CC1=C(C=CC(=C1)O)N PI-11473 [1,0,0,0,0,0|2,0,0]=3 366 B9R1.69 CC1=C(C=CC(=C1)S)F PI-23789 [1,0,0,0,0,0|2,0,0]=3 367 B9R1.69 CC1=C(C=CC(=N1)Br)Br PI-34456 [1,0,0,0,0,0|3,0,0]=4 368 B9R1.69 CC1=C(C=CC(=N1)Br)F PI-10396 [1,0,0,0,0,0|3,0,0]=4 369 B9R1.69 CC1=C(C=CC(=N1)Br)N PI-34984 [1,0,0,0,0,0|3,0,0]=4 370 B9R1.69 CC1=C(C=CC(=N1)Cl)F PI-34442 [1,0,0,0,0,0|3,0,0]=4 371 B9R1.69 CC1=C(C=CC(=N1)F)Br PI-35833 [1,0,0,0,0,0|3,0,0]=4 372 B9R1.69 CC1=C(C=CC(=N1)F)N PI-32879 [1,0,0,0,0,0|3,0,0]=4 373 B9R1.69 CC1=C(C=CC(=N1)N)Br PI-10444 [1,0,0,0,0,0|3,0,0]=4 374 B9R1.69 CC1=C(C=CC(=N1)N)Cl PI-34982 [1,0,0,0,0,0|3,0,0]=4 375 B9R1.69 CC1=CC(=C(C=C1)Br)Cl PI-20674 [1,0,0,0,0,0|2,0,0]=3 376 B9R1.69 CC1=CC(=C(C=C1)C)O PI-33176 [1,0,0,0,0,0|1,0,0]=2 377 B9R1.69 CC1=CC(=C(C=C1)C)S PI-21355 [1,0,0,0,0,0|1,1,0]=3 378 B9R1.69 CC1=CC(=C(C=C1)Cl)Br PI-20672 [1,0,0,0,0,0|2,0,0]=3 379 B9R1.69 CC1=CC(=C(C=C1)Cl)C PI-24680 [1,0,0,0,0,0|1,0,0]=2 380 B9R1.69 CC1=CC(=C(C=C1)Cl)F PI-10669 [1,0,0,0,0,0|2,0,0]=3 381 B9R1.69 CC1=CC(=C(C=C1)Cl)N PI-17325 [1,0,0,0,0,0|2,0,0]=3 382 B9R1.69 CC1=CC(=C(C=C1)Cl)O PI-42096 [1,0,0,0,0,0|1,0,0]=2 383 B9R1.69 CC1=CC(=C(C=C1)F)Cl PI-10668 [1,0,0,0,0,0|2,0,0]=3 384 B9R1.69 CC1=CC(=C(C=C1)F)F PI-16918 [1,0,0,0,0,0|2,0,0]=3 385 B9R1.69 CC1=CC(=C(C=C1)F)I PI-10677 [1,0,0,0,0,0|2,0,0]=3 386 B9R1.69 CC1=CC(=C(C=C1)F)N PI-16989 [1,0,0,0,0,0|2,0,0]=3 387 B9R1.69 CC1=CC(=C(C=C1)F)O PI-10653 [1,0,0,0,0,0|1,0,0]=2 388 B9R1.69 CC1=CC(=C(C=C1)I)Br PI-21532 [1,0,0,0,0,0|2,0,0]=3 389 B9R1.69 CC1=CC(=C(C=C1)I)Cl PI-19073 [1,0,0,0,0,0|2,0,0]=3 390 B9R1.69 CC1=CC(=C(C=C1)I)F PI-10675 [1,0,0,0,0,0|2,0,0]=3 391 B9R1.69 CC1=CC(=C(C=C1)I)I PI-19174 [1,0,0,0,0,0|2,0,0]=3 392 B9R1.69 CC1=CC(=C(C=C1)N)C PI-27338 [1,0,0,0,0,0|1,0,0]=2 393 B9R1.69 CC1=CC(=C(C=C1)N)Cl PI-20150 [1,0,0,0,0,0|2,0,0]=3 394 B9R1.69 CC1=CC(=C(C=C1)N)O PI-28344 [1,0,0,0,0,0|1,0,0]=2 395 B9R1.69 CC1=CC(=C(C=C1)N)S PI-41435 [1,0,0,0,0,0|1,1,0]=3 396 B9R1.69 CC1=CC(=C(C=C1)O)Cl PI-19823 [1,0,0,0,0,0|1,0,0]=2 397 B9R1.69 CC1=CC(=C(C=C1)O)N PI-44624 [1,0,0,0,0,0|1,0,0]=2 398 B9R1.69 CC1=CC(=C(C=C1)S)C PI-21999 [1,0,0,0,0,0|0,1,0]=2 399 B9R1.69 CC1=CC(=C(C=C1)[S-])[S-] PI-30102 [1,0,0,0,0,0|0,2,0]=3 400 B9R1.69 CC1=CC(=C(C=C1)[S-])[S-] PI-30441 [1,0,0,0,0,0|0,2,0]=3 401 B9R1.69 CC1=CC(=C(N=C1)C)C PI-16692 [1,0,0,0,0,0|2,0,0]=3 402 B9R1.69 CC1=CC(=C(N=C1)Cl)F PI-16765 [1,0,0,0,0,0|3,0,0]=4 403 B9R1.69 CC1=CC(=C(N=C1)Cl)N PI-30504 [1,0,0,0,0,0|3,0,0]=4 404 B9R1.69 CC1=CC(=C(N=C1)F)Br PI-34448 [1,0,0,0,0,0|3,0,0]=4 405 B9R1.69 CC1=CC(=C(N=C1)N)Br PI-24152 [1,0,0,0,0,0|3,0,0]=4 406 B9R1.69 CC1=CC(=CN=C1Br)N PI-27538 [1,0,0,0,0,0|3,0,0]=4 407 B9R1.69 CC1=CC(=CN=C1Cl)Br PI-24299 [1,0,0,0,0,0|3,0,0]=4 408 B9R1.69 CC1=CC(=CN=C1Cl)F PI-32877 [1,0,0,0,0,0|3,0,0]=4 409 B9R1.69 CC1=CC(=CN=C1Cl)N PI-34979 [1,0,0,0,0,0|3,0,0]=4 410 B9R1.69 CC1=CC(=CN=C1F)Br PI-32872 [1,0,0,0,0,0|3,0,0]=4 411 B9R1.69 CC1=CC(=CN=C1F)N PI-32878 [1,0,0,0,0,0|3,0,0]=4 412 B9R1.69 CC1=CC(=CN=C1N)Br PI-25459 [1,0,0,0,0,0|3,0,0]=4 413 B9R1.69 CC1=CC(=NC=C1Br)Br PI-39259 [1,0,0,0,0,0|3,0,0]=4 414 B9R1.69 CC1=CC(=NC=C1N)Cl PI-30838 [1,0,0,0,0,0|3,0,0]=4 415 B9R1.69 CC1=CC(N)=NC=C1B PI-30996 [1,0,0,0,0,0|3,0,0]=4 416 B9R1.69 CC1=CC(N)=NC=C1Cl PI-31795 [1,0,0,0,0,0|3,0,0]=4 417 B9R1.69 CC1=CC=C(F)C(Br)=N1 PI-40471 [1,0,0,0,0,0|3,0,0]=4 418 B9R1.69 CC1=CN=C(C(=N1)C)C PI-11726 [1,0,0,0,0,0|3,0,0]=4 419 B9R1.69 CC1=CN=C(Cl)C(C)=N1 PI-38217 [1,0,0,0,0,0|3,0,0]=4 420 B9R1.69 CC1=NC(=C(C=C1)Br)Cl PI-44133 [1,0,0,0,0,0|3,0,0]=4 421 B9R1.69 CC1=NC(=C(C=C1)Br)N PI-30104 [1,0,0,0,0,0|3,0,0]=4 422 B9R1.69 CC1=NC(=C(C=C1)I)F PI-34430 [1,0,0,0,0,0|3,0,0]=4 423 B9R1.69 CC1=NC(=C(C=C1)N)Br PI-27124 [1,0,0,0,0,0|3,0,0]=4 424 B9R1.69 CC1=NC(=C(C=C1)N)C PI-16694 [1,0,0,0,0,0|2,0,0]=3 425 B9R1.69 CC1=NC(=C(C=C1)N)C PI-33783 [1,0,0,0,0,0|2,0,0]=3 426 B9R1.69 CC1=NC(=C(C=C1)N)F PI-24368 [1,0,0,0,0,0|3,0,0]=4 427 B9R1.69 CC1=NC(=C(C=C1)O)C PI-21953 [1,0,0,0,0,0|1,0,0]=2 428 B9R1.69 CC1=NC(=NC=C1N)C PI-32946 [1,0,0,0,0,0|3,0,0]=4 429 B9R1.69 Cc1ccc(Br)cc1F PI-31215 [1,0,0,0,0,0|3,0,0]=4 430 B9R1.69 Cc1ccc(I)c(N)c1 PI-13704 [1,0,0,0,0,0|2,0,0]=3 431 B9R1.69 Cc1ccc(N)c(Br)c1 PI-21582 [1,0,0,0,0,0|2,0,0]=3 432 B9R1.69 Cc1ccc(c(c1)Br)F PI-28541 [1,0,0,0,0,0|2,0,0]=3 433 B9R1.69 Cc1ccc(c(c1)C)Br PI-38906 [1,0,0,0,0,0|1,0,0]=2 434 B9R1.69 Cc1ccc(c(c1)F)Br PI-16987 [1,0,0,0,0,0|2,0,0]=3 435 B9R1.69 Cc1ccc(c(c1)F)N PI-16381 [1,0,0,0,0,0|2,0,0]=3 436 B9R1.69 Cc1ccc(c(c1)N)Br PI-32614 [1,0,0,0,0,0|2,0,0]=3 437 B9R1.69 Cc1ccc(c(c1)N)N PI-33398 [1,0,0,0,0,0|2,0,0]=3 438 B9R1.69 Cc1ccc(c(c1)O)O PI-11188 [1,0,0,0,0,0|0,0,0]=1 439 B9R1.69 Cc1ccc(c(n1)C)Br PI-14419 [1,0,0,0,0,0|2,0,0]=3 440 B9R1.69 Cc1ccc(c(n1)Cl)N PI-30570 [1,0,0,0,0,0|3,0,0]=4 441 B9R1.69 Cc1cnc(Br)c(F)c1 PI-34446 [1,0,0,0,0,0|3,0,0]=4 442 B9R1.69 Cc1cnc(c(c1)I)F PI-32874 [1,0,0,0,0,0|3,0,0]=4 443 B9R1.69 Cc1ncc(c(c1)C)N PI-38589 [1,0,0,0,0,0|2,0,0]=3 444 B9R1.69 ClC1=CC(=C(C=C1)F)O PI-10650 [1,0,0,0,0,0|2,0,0]=3 445 B9R1.69 ClC1=CC(I)=CC=C1Br PI-41927 [1,0,0,0,0,0|3,0,0]=4 446 B9R1.69 Clc1ccc(c(c1)Br)Cl PI-21593 [1,0,0,0,0,0|3,0,0]=4 447 B9R1.69 Clc1ccc(c(c1)Br)F PI-20628 [1,0,0,0,0,0|3,0,0]=4 448 B9R1.69 Clc1ccc(c(c1)Br)I PI-38902 [1,0,0,0,0,0|3,0,0]=4 449 B9R1.69 Clc1ccc(c(c1)Br)N PI-21370 [1,0,0,0,0,0|3,0,0]=4 450 B9R1.69 Clc1ccc(c(c1)C)Br PI-20669 [1,0,0,0,0,0|2,0,0]=3 451 B9R1.69 Clc1ccc(c(c1)C)C PI-11593 [1,0,0,0,0,0|2,0,0]=3 452 B9R1.69 Clc1ccc(c(c1)C)I PI-30351 [1,0,0,0,0,0|2,0,0]=3 453 B9R1.69 Clc1ccc(c(c1)F)Br PI-20626 [1,0,0,0,0,0|3,0,0]=4 454 B9R1.69 Clc1ccc(c(c1)F)F PI-12302 [1,0,0,0,0,0|3,0,0]=4 455 B9R1.69 Clc1ccc(c(c1)N)S PI-14245 [1,0,0,0,0,0|2,1,0]=4 456 B9R1.69 Clc1ccc(c(c1)O)O PI-11978 [1,0,0,0,0,0|1,0,0]=2 457 B9R1.69 Clc1ccc(c(n1)C)N PI-38623 [1,0,0,0,0,0|3,0,0]=4 458 B9R1.69 Clc1cnc(Br)c(C)c1 PI-35935 [1,0,0,0,0,0|3,0,0]=4 459 B9R1.69 Clc1ncc(c(c1)C)Br PI-38910 [1,0,0,0,0,0|3,0,0]=4 460 B9R1.69 Fc1ccc(C)c(S)c1 PI-23790 [1,0,0,0,0,0|2,1,0]=4 461 B9R1.69 Fc1ccc(I)c(Br)c1 PI-14445 [1,0,0,0,0,0|3,0,0]=4 462 B9R1.69 Fc1ccc(N)c(F)c1 PI-15215 [1,0,0,0,0,0|3,0,0]=4 463 B9R1.69 Fc1ccc(S)c(C)c1 PI-23788 [1,0,0,0,0,0|1,1,0]=3 464 B9R1.69 Fc1ccc(c(c1)Br)C PI-16886 [1,0,0,0,0,0|3,0,0]=4 465 B9R1.69 Fc1ccc(c(c1)Br)O PI-21470 [1,0,0,0,0,0|2,0,0]=3 466 B9R1.69 Fc1ccc(c(c1)Cl)F PI-28303 [1,0,0,0,0,0|3,0,0]=4 467 B9R1.69 Fc1ccc(c(c1)Cl)S PI-20117 [1,0,0,0,0,0|2,1,0]=4 468 B9R1.69 Fc1ccc(c(c1)F)Br PI-32222 [1,0,0,0,0,0|3,0,0]=4 469 B9R1.69 Fc1ccc(c(c1)F)F PI-10729 [1,0,0,0,0,0|3,0,0]=4 470 B9R1.69 Fc1ccc(c(c1)F)S PI-16902 [1,0,0,0,0,0|2,1,0]=4 471 B9R1.69 Fc1ccc(c(c1)N)Br PI-10617 [1,0,0,0,0,0|3,0,0]=4 472 B9R1.69 Fc1ccc(c(c1)N)F PI-16941 [1,0,0,0,0,0|3,0,0]=4 473 B9R1.69 Fc1ccc(c(c1)N)O PI-15926 [1,0,0,0,0,0|2,0,0]=3 474 B9R1.69 Fc1ccc(c(c1)O)Br PI-31067 [1,0,0,0,0,0|2,0,0]=3 475 B9R1.69 Fc1ccc(c(c1)O)C PI-10656 [1,0,0,0,0,0|2,0,0]=3 476 B9R1.69 Fc1ccc(c(c1)O)Cl PI-10649 [1,0,0,0,0,0|2,0,0]=3 477 B9R1.69 Fc1ccc(c(c1)O)F PI-16913 [1,0,0,0,0,0|2,0,0]=3 478 B9R1.69 Fc1ccc(c(c1)O)O PI-16942 [1,0,0,0,0,0|1,0,0]=2 479 B9R1.69 Fc1cnc(c(c1)C)Br PI-34447 [1,0,0,0,0,0|3,0,0]=4 480 B9R1.69 Fc1ncc(c(c1)C)Br PI-38328 [1,0,0,0,0,0|3,0,0]=4 481 B9R1.69 IC1=CC(O)=C(Cl)C=C1 PI-46497 [1,0,0,0,0,0|2,0,0]=3 482 B9R1.69 IC1=CC=C(Br)C(Br)=C1 PI-41928 [1,0,0,0,0,0|3,0,0]=4 483 B9R1.69 IC1=CC=C(Br)C=C1F PI-21451 [1,0,0,0,0,0|3,0,0]=4 484 B9R1.69 IC1=CC=C(F)C=C1F PI-28291 [1,0,0,0,0,0|3,0,0]=4 485 B9R1.69 Ic1ccc(Br)c(C)c1 PI-21531 [1,0,0,0,0,0|2,0,0]=3 486 B9R1.69 Ic1ccc(F)c(Br)c1 PI-21453 [1,0,0,0,0,0|3,0,0]=4 487 B9R1.69 Ic1ccc(c(c1)F)Br PI-14443 [1,0,0,0,0,0|3,0,0]=4 488 B9R1.69 NC1=C(Cl)C=C(O)C=C1 PI-39809 [1,0,0,0,0,0|3,0,0]=4 489 B9R1.69 NC1=CC(Br)=CC=C1Cl PI-20602 [1,0,0,0,0,0|3,0,0]=4 490 B9R1.69 NC1=CC=C(Br)C=C1I PI-39519 [1,0,0,0,0,0|3,0,0]=4 491 B9R1.69 NC1=CC=C(Cl)C(N)=C1 PI-11322 [1,0,0,0,0,0|3,0,0]=4 492 B9R1.69 Nc1ccc(Br)c(C)c1 PI-21584 [1,0,0,0,0,0|2,0,0]=3 493 B9R1.69 Nc1ccc(C)c(O)c1 PI-11313 [1,0,0,0,0,0|2,0,0]=3 494 B9R1.69 Nc1ccc(F)c(C)n1 PI-34452 [1,0,0,0,0,0|3,0,0]=4 495 B9R1.69 Nc1ccc(O)c(Cl)c1 PI-11818 [1,0,0,0,0,0|2,0,0]=3 496 B9R1.69 Nc1ccc(O)c(F)c1 PI-28497 [1,0,0,0,0,0|2,0,0]=3 497 B9R1.69 Nc1ccc(c(c1)Br)F PI-12304 [1,0,0,0,0,0|3,0,0]=4 498 B9R1.69 Nc1ccc(c(c1)C)N PI-19993 [1,0,0,0,0,0|2,0,0]=3 499 B9R1.69 Nc1ccc(c(c1)Cl)Br PI-20601 [1,0,0,0,0,0|3,0,0]=4 500 B9R1.69 Nc1ccc(c(c1)Cl)I PI-30125 [1,0,0,0,0,0|3,0,0]=4 501 B9R1.69 Nc1ccc(c(c1)Cl)N PI-38011 [1,0,0,0,0,0|3,0,0]=4 502 B9R1.69 Nc1ccc(c(c1)Cl)N PI-38070 [1,0,0,0,0,0|3,0,0]=4 503 B9R1.69 Nc1ccc(c(c1)F)Br PI-10618 [1,0,0,0,0,0|3,0,0]=4 504 B9R1.69 Nc1ccc(c(c1)F)I PI-10620 [1,0,0,0,0,0|3,0,0]=4 505 B9R1.69 O=C1C=CC(N)=CN1C PI-46613 [1,0,0,0,0,0|2,0,1]=4 506 B9R1.69 OC1=CC(Cl)=CC=C1I PI-40949 [1,0,0,0,0,0|2,0,0]=3 507 B9R1.69 OC1=CC=C(Br)C=C1O PI-37116 [1,0,0,0,0,0|1,0,0]=2 508 B9R1.69 OC1=CC=C(C)C=C1Br PI-14476 [1,0,0,0,0,0|1,0,0]=2 509 B9R1.69 OC1=CC=C(N)C(Cl)=C1 PI-42395 [1,0,0,0,0,0|3,0,0]=4 510 B9R1.69 OC1=CC=C(N)C=C1N PI-32464 [1,0,0,0,0,0|2,0,0]=3 511 B9R1.69 Oc1cc(Cl)ccc1Cl PI-34659 [1,0,0,0,0,0|2,0,0]=3 512 B9R1.69 Oc1ccc(Br)c(F)c1 PI-10426 [1,0,0,0,0,0|3,0,0]=4 513 B9R1.69 Oc1ccc(Br)c(O)c1 PI-28737 [1,0,0,0,0,0|2,0,0]=3 514 B9R1.69 Oc1ccc(C)c(C)c1 PI-34164 [1,0,0,0,0,0|2,0,0]=3 515 B9R1.69 Oc1ccc(C)c(F)c1 PI-10654 [1,0,0,0,0,0|3,0,0]=4 516 B9R1.69 Oc1ccc(F)c(N)c1 PI-33926 [1,0,0,0,0,0|3,0,0]=4 517 B9R1.69 Oc1ccc(c(c1)Br)Cl PI-39217 [1,0,0,0,0,0|3,0,0]=4 518 B9R1.69 Oc1ccc(c(c1)Br)F PI-10647 [1,0,0,0,0,0|3,0,0]=4 519 B9R1.69 Oc1ccc(c(c1)C)Br PI-14477 [1,0,0,0,0,0|2,0,0]=3 520 B9R1.69 Oc1ccc(c(c1)F)F PI-16914 [1,0,0,0,0,0|3,0,0]=4 521 B9R1.69 Oc1ccc(c(c1)O)C PI-19649 [1,0,0,0,0,0|2,0,0]=3 522 B9R1.69 Oc1ccc(c(c1)O)F PI-10442 [1,0,0,0,0,0|2,0,0]=3 523 B9R1.69 Oc1ccc(c(c1)O)O PI-31220 [1,0,0,0,0,0|1,0,0]=2 524 B9R1.69 Sc1ccc(C)c(F)c1 PI-23787 [1,0,0,0,0,0|3,0,0]=4 525 B9R1.69 Sc1ccc(c(c1)C)O PI-18459 [1,0,0,0,0,0|1,0,0]=2 526 B11R1.8 C1=C(C=C(C(=C1C=O)O)Br)Br PI-27972 [0,1,0,0,0,0|3,0,0]=4 527 B11R1.8 C1=C(C=C(C(=C1C=O)O)Br)Cl PI-18292 [0,1,0,0,0,0|3,0,0]=4 528 B11R1.8 C1=C(C=C(C(=C1C=O)O)Cl)Cl PI-11895 [0,1,0,0,0,0|3,0,0]=4 529 B11R1.8 C1=C(C=C(C(=C1C=O)O)I)I PI-27405 [0,1,0,0,0,0|3,0,0]=4 530 B11R1.8 C1=C(C=C(C(=C1CBr)O)Br)Br PI-19564 [0,1,0,0,0,0|3,0,0]=4 531 B11R1.8 CC1=CC(=C(C(=C1)F)F)C#N PI-34483 [0,1,0,0,0,0|3,0,0]=4 532 B11R1.8 CC1=CC(=C(C(=C1)OC)C)C PI-19293 [0,1,0,0,0,0|1,0,0]=2 533 B11R1.8 CC1=CC(=CC(=C1O)C=O)Cl PI-10862 [0,1,0,0,0,0|3,0,0]=4 534 B11R1.8 COC1=C(C(=CC(=C1)Br)F)F PI-21622 [0,1,0,0,0,0|2,0,0]=3 535 B11R1.8 COC1=CC(=CC(=C1Cl)F)Br PI-43262 [0,1,0,0,0,0|2,0,0]=3 536 B11R1.8 O=Cc1cc(Br)cc(C)c1O PI-21513 [0,1,0,0,0,0|3,0,0]=4 537 B11R1.8 O=Cc1cc(C)cc(Br)c1O PI-21512 [0,1,0,0,0,0|2,0,0]=3 538 B11R1.8 O=Cc1cc(F)cc(c1O)F PI-38254 [0,1,0,0,0,0|3,0,0]=4 539 B11R1.37 CC1=CC(=C(C=C1)C#N)C#N PI-19787 [0,1,0,0,0,0|3,0,0]=4 540 B11R1.37 CC1=CC(=C(C=C1)OC)OC PI-23359 [0,1,0,0,0,0|0,0,0]=1 541 B11R1.37 COC1=C(C=C(C=C1)Br)C=O PI-31926 [0,1,0,0,0,0|3,0,0]=4 542 B11R1.37 COC1=C(C=C(C=C1)Br)CO PI-45731 [0,1,0,0,0,0|3,0,0]=4 543 B11R1.37 COC1=C(C=C(C=C1)Cl)C#N PI-19723 [0,1,0,0,0,0|3,0,0]=4 544 B11R1.37 COC1=C(C=C(C=C1)F)C#N PI-34276 [0,1,0,0,0,0|3,0,0]=4 545 B11R1.37 COC1=C(C=C(C=C1)F)OC PI-23227 [0,1,0,0,0,0|1,0,0]=2 546 B11R1.37 COC1=C(C=C(C=C1)I)C=O PI-26632 [0,1,0,0,0,0|3,0,0]=4 547 B11R1.37 COC1=C(C=C(C=C1)S)OC PI-21358 [0,1,0,0,0,0|1,0,0]=2 548 B11R1.37 COC1=C(C=CC(=C1)F)C#N PI-23714 [0,1,0,0,0,0|2,0,0]=3 549 B11R1.37 COC1=NC=C(N=C1OC)Br PI-43278 [0,1,0,0,0,0|3,0,0]=4 550 B11R1.37 COc1cc(Br)ccc1OC PI-21655 [0,1,0,0,0,0|1,0,0]=2 551 B11R1.37 COc1cc(F)ccc1C=O PI-38318 [0,1,0,0,0,0|1,0,1]=3 552 B11R1.37 COc1cc(I)ccc1OC PI-23242 [0,1,0,0,0,0|1,0,0]=2 553 B11R1.37 COc1cc(N)ccc1C#N PI-38838 [0,1,0,0,0,0|2,0,0]=3 554 B11R1.37 COc1cc(N)ccc1OC PI-23186 [0,1,0,0,0,0|1,0,0]=2 555 B11R1.37 COc1cc(O)ccc1C=O PI-11990 [0,1,0,0,0,0|1,0,1]=3 556 B11R1.37 COc1cc(O)ccc1OC PI-28261 [0,1,0,0,0,0|1,0,0]=2 557 B11R1.37 O=Cc1cc(Cl)ccc1OC PI-27028 [0,1,0,0,0,0|3,0,0]=4 558 B11R1.72 CC1=C(C(=C(C=C1)Cl)C=O)F PI-20095 [0,1,0,0,0,0|3,0,0]=4 559 B11R1.72 CC1=C(C(=C(C=C1)Cl)CO)F PI-20101 [0,1,0,0,0,0|3,0,0]=4 560 B11R1.72 CC1=C(C(=C(C=C1)F)C=O)Cl PI-20094 [0,1,0,0,0,0|3,0,0]=4 561 B11R1.72 CC1=C(C(=C(C=C1)F)CO)Cl PI-20100 [0,1,0,0,0,0|3,0,0]=4 562 B11R1.72 CC1=CN=C(C(=C1OC)C)Cl PI-13037 [0,1,0,0,0,0|3,0,0]=4 563 B11R1.72 CC1=[N+](C=CC(=C1OC)Cl)[O-] PI-11973 [0,1,0,0,0,0|3,0,0]=4 564 B11R1.72 COC1=C(C=CC(=C1F)F)Br PI-42641 [0,1,0,0,0,0|2,0,0]=3 565 B11R1.72 COC1=C(C=CC(=C1F)F)F PI-10734 [0,1,0,0,0,0|2,0,0]=3 566 B11R1.167 C1=C(Cl)C=CC(=C1C(N)=O)O PI-12030 [0,1,0,0,0,0|3,0,0]=4 567 B11R1.167 C1=CC(=C(C=C1Br)[N+](=O)[O-])O PI-13653 [0,1,0,0,0,0|3,0,0]=4 568 B11R1.167 C1=CC(=C(C=C1Cl)C(=O)O)O PI-33939 [0,1,0,0,0,0|3,0,0]=4 569 B11R1.167 C1=CC(=C(C=C1F)C(=O)O)O PI-28413 [0,1,0,0,0,0|3,0,0]=4 570 B11R1.167 C1=CC(=C(C=C1F)[N+](=O)[O-])O PI-31180 [0,1,0,0,0,0|3,0,0]=4 571 B11R1.167 C1=CC(=C(C=C1N)C(=O)O)O PI-33946 [0,1,0,0,0,0|3,0,0]=4 572 B11R1.167 CC(=O)C1=C(C=CC(=C1)Br)F PI-40483 [0,1,0,0,0,0|3,0,0]=4 573 B11R1.167 CC(=O)C1=C(C=CC(=C1)Br)N PI-50076 [0,1,0,0,0,0|3,0,0]=4 574 B11R1.167 CC(=O)C1=C(C=CC(=C1)Br)O PI-15407 [0,1,0,0,0,0|2,0,0]=3 575 B11R1.167 CC(=O)C1=C(C=CC(=C1)Cl)O PI-11257 [0,1,0,0,0,0|2,0,0]=3 576 B11R1.167 CC(=O)C1=C(C=CC(=C1)F)F PI-28256 [0,1,0,0,0,0|3,0,0]=4 577 B11R1.167 CC(=O)C1=C(C=CC(=C1)F)O PI-16161 [0,1,0,0,0,0|2,0,0]=3 578 B11R1.167 CC(=O)C1=C(C=CC(=C1)N)Cl PI-31000 [0,1,0,0,0,0|3,0,0]=4 579 B11R1.167 CC(C1=CC(F)=CC=C1I)=O PI-41210 [0,1,0,0,0,0|3,0,0]=4 580 B11R1.167 CC(C1=CC(F)=CC=C1N)=O PI-46722 [0,1,0,0,0,0|3,0,0]=4 581 B11R1.167 CC1=CC(=C(C=C1)Br)C(=O)O PI-22124 [0,1,0,0,0,0|3,0,0]=4 582 B11R1.167 CC1=CC(=C(C=C1)Br)[N+](=O)[O-] PI-22212 [0,1,0,0,0,0|3,0,0]=4 583 B11R1.167 CC1=CC(=C(C=C1)C)C(=O)C PI-23365 [0,1,0,0,0,0|2,0,0]=3 584 B11R1.167 CC1=CC(=C(C=C1)C)C(=O)O PI-16116 [0,1,0,0,0,0|3,0,0]=4 585 B11R1.167 CC1=CC(=C(C=C1)C)[N+](=O)[O-] PI-13194 [0,1,0,0,0,0|3,0,0]=4 586 B11R1.167 CC1=CC(=C(C=C1)Cl)C(=O)O PI-44945 [0,1,0,0,0,0|3,0,0]=4 587 B11R1.167 CC1=CC(=C(C=C1)Cl)[N+](=O)[O-] PI-34332 [0,1,0,0,0,0|3,0,0]=4 588 B11R1.167 CC1=CC(=C(C=C1)F)C(=O)C PI-30627 [0,1,0,0,0,0|2,0,0]=3 589 B11R1.167 CC1=CC(=C(C=C1)F)C(=O)O PI-10194 [0,1,0,0,0,0|3,0,0]=4 590 B11R1.167 CC1=CC(=C(C=C1)F)[N+](=O)[O-] PI-10423 [0,1,0,0,0,0|3,0,0]=4 591 B11R1.167 CC1=CC(=C(C=C1)I)C(=O)O PI-44708 [0,1,0,0,0,0|3,0,0]=4 592 B11R1.167 CC1=CC(=C(C=C1)N)C(=O)N PI-11516 [0,1,0,0,0,0|3,0,0]=4 593 B11R1.167 CC1=CC(=C(C=C1)O)C(=O)C PI-16152 [0,1,0,0,0,0|1,0,0]=2 594 B11R1.167 CC1=CC(=C(C=C1)O)C(=O)N PI-32434 [0,1,0,0,0,0|2,0,0]=3 595 B11R1.167 CC1=CC(=C(C=C1)O)C(=O)O PI-12037 [0,1,0,0,0,0|2,0,0]=3 596 B11R1.167 CC1=NC(=C(C=C1)O)[N+](=O)[O-] PI-24120 [0,1,0,0,0,0|3,0,0]=4 597 B11R1.167 Cc1ccc(C)c(c1)B(O)O PI-33619 [0,1,0,0,0,0|3,0,0]=4 598 B11R1.167 Cc1ccc(c(c1)B(O)O)Cl PI-19269 [0,1,0,0,0,0|3,0,0]=4 599 B11R1.167 Cc1ccc(c(c1)B(O)O)F PI-19183 [0,1,0,0,0,0|3,0,0]=4 600 B11R1.167 Cc1ccc(c(c1)C(=O)O)I PI-44956 [0,1,0,0,0,0|3,0,0]=4 601 B11R1.167 Cc1ccc(c(c1)C(=O)O)N PI-11791 [0,1,0,0,0,0|3,0,0]=4 602 B11R1.167 Clc1ccc(c(c1)B(O)O)O PI-39030 [0,1,0,0,0,0|3,0,0]=4 603 B11R1.167 Clc1ccc(c(c1)C(=O)C)Cl PI-11720 [0,1,0,0,0,0|3,0,0]=4 604 B11R1.167 Fc1ccc(Cl)c(c1)C(=O)C PI-29442 [0,1,0,0,0,0|3,0,0]=4 605 B11R1.167 Nc1ccc(c(c1)[N+](=O)[O-])O PI-28082 [0,1,0,0,0,0|3,0,0]=4 606 B11R1.167 O=C(N)C1=CC(Br)=CC=C1O PI-30813 [0,1,0,0,0,0|3,0,0]=4 607 B11R1.167 O=C([O-])C1=CC(N)=CC=C1O PI-35671 [0,1,0,0,0,0|3,0,0]=4 608 B11R1.167 O=C([O-])C1=CC(O)=CC=C1O PI-12846 [0,1,0,0,0,0|3,0,0]=4 609 B11R1.167 OC1=CC=C(Br)C=C1C(C)C PI-37179 [0,1,0,0,0,0|2,0,0]=3 610 B11R1.167 Oc1ccc(O)c(c1)C(=O)C PI-31206 [0,1,0,0,0,0|2,0,0]=3 611 B11R1.167 Oc1ccc(c(c1)C(=O)O)O PI-12845 [0,1,0,0,0,0|3,0,0]=4 612 B11R1.182 CC1=CC(=C(C=C1)C)CCN PI-23899 [0,1,0,0,0,0|2,0,0]=3 613 B11R1.182 CC1=CC(=C(C=C1)C)N=C=S PI-23928 [0,1,0,0,0,0|2,0,1]=4 614 B11R1.182 CCOC1=C(C=CC(=C1)N)Br PI-16386 [0,1,0,0,0,0|2,0,0]=3 615 B11R1.182 Cc1cc(N=C=S)c(F)cc1 PI-23769 [0,1,0,0,0,0|2,0,1]=4 616 B11R1.182 Cc1ccc(O)cc1NCC PI-11924 [0,1,0,0,0,0|3,0,0]=4 617 B11R1.277 CC1=CC(=C(C=C1Br)F)C#N PI-10691 [0,1,0,0,0,0|3,0,0]=4 618 B11R1.277 CC1=CC(=C(C=C1C)C#C)C PI-19475 [0,1,0,0,0,0|2,0,1]=4 619 B11R1.277 CC1=CC(=C(C=C1F)Br)C#N PI-10689 [0,1,0,0,0,0|3,0,0]=4 620 B11R1.277 CC1=CC(=C(C=C1F)Br)C=O PI-28930 [0,1,0,0,0,0|3,0,0]=4 621 B11R1.277 CC1=CC(=C(C=C1F)F)C#N PI-34484 [0,1,0,0,0,0|3,0,0]=4 622 B11R1.277 COC1=CC(=C(C=C1F)Br)F PI-21620 [0,1,0,0,0,0|2,0,0]=3 623 B11R1.277 COC1=CC(=C(C=C1N)F)Br PI-40953 [0,1,0,0,0,0|2,0,0]=3 624 B11R1.277 COC1=CC(=O)C(=CC1=O)O PI-20787 [0,1,0,0,0,0|1,0,1]=3 625 B11R1.277 COc1cc(Br)c(F)cc1Cl PI-31695 [0,1,0,0,0,0|2,0,0]=3 626 B11R1.277 COc1cc(N)c(Cl)cc1Cl PI-36533 [0,1,0,0,0,0|2,0,0]=3 627 B11R1.277 O=Cc1cc(O)c(O)cc1O PI-27519 [0,1,0,0,0,0|3,0,0]=4 628 B11R1.280 C1=CC(=C(C=C1C#N)C=O)O PI-34031 [0,1,0,0,0,0|2,0,1]=4 629 B11R1.280 C1=CC(=C(C=C1C=O)C=O)O PI-27490 [0,1,0,0,0,0|2,0,1]=4 630 B11R1.280 C1=CC(=C(C=C1CCl)C=O)O PI-27376 [0,1,0,0,0,0|2,0,0]=3 631 B11R1.280 C1=CC(=CC(=C1C)OC)C=O PI-10103 [0,1,0,0,0,0|1,0,1]=3 632 B11R1.280 CCC1=C(C=CC(=C1)C#N)N PI-15893 [0,1,0,0,0,0|2,0,1]=4 633 B11R1.280 CCC1=CC(=C(C=C1)Br)OC PI-48437 [0,1,0,0,0,0|1,0,0]=2 634 B11R1.280 CCC1=CC(=C(C=C1)O)C=O PI-26703 [0,1,0,0,0,0|2,0,0]=3 635 B11R1.280 CCC1=CC(=C(C=C1)O)OC PI-12830 [0,1,0,0,0,0|0,0,0]=1 636 B11R1.280 CNC1=C(C=CC(=N1)OC)N PI-33712 [0,1,0,0,0,0|3,0,0]=4 637 B11R1.280 COC1=C(C=CC(=C1)C#N)F PI-10706 [0,1,0,0,0,0|1,0,1]=3 638 B11R1.280 COC1=C(C=CC(=C1)NN)F PI-50686 [0,1,0,0,0,0|2,0,0]=3 639 B11R1.280 COC1=CC(=C(C=C1)Br)C=O PI-27895 [0,1,0,0,0,0|3,0,0]=4 640 B11R1.280 COC1=CC(=C(C=C1)Br)CBr PI-46496 [0,1,0,0,0,0|3,0,0]=4 641 B11R1.280 COC1=CC(=C(C=C1)Br)CO PI-49402 [0,1,0,0,0,0|3,0,0]=4 642 B11R1.280 COC1=CC(=C(C=C1)F)C#N PI-10702 [0,1,0,0,0,0|3,0,0]=4 643 B11R1.280 COC1=CC(=C(C=C1)F)C=O PI-27060 [0,1,0,0,0,0|3,0,0]=4 644 B11R1.280 COC1=CC(=C(C=C1)I)OC PI-23241 [0,1,0,0,0,0|1,0,0]=2 645 B11R1.280 COC1=NC(=NC=C1Br)OC PI-45786 [0,1,0,0,0,0|3,0,0]=4 646 B11R1.280 COc1cc(C#N)ccc1O PI-29016 [0,1,0,0,0,0|0,0,1]=2 647 B11R1.280 COc1cc(C=O)ccc1F PI-28101 [0,1,0,0,0,0|1,0,1]=3 648 B11R1.280 COc1cc(C=O)ccc1O PI-34109 [0,1,0,0,0,0|0,0,1]=2 649 B11R1.280 COc1ccc(F)c(OC)c1 PI-23228 [0,1,0,0,0,0|1,0,0]=2 650 B11R1.280 COc1ccc(O)c(C=O)c1 PI-27833 [0,1,0,0,0,0|2,0,0]=3 651 B11R1.280 COc1ccc(S)c(OC)c1 PI-23358 [0,1,0,0,0,0|0,1,0]=2 652 B11R1.280 COc1ccc(c(c1)OC)Br PI-21375 [0,1,0,0,0,0|1,0,0]=2 653 B11R1.280 COc1ccc(c(n1)OC)N PI-26916 [0,1,0,0,0,0|2,0,0]=3 654 B11R1.280 NCc1ccc(c(c1)C#N)F PI-33904 [0,1,0,0,0,0|3,0,0]=4 655 B11R2.36 Brc1ccc2c(c1)CCN2 PI-11096 [0,0,0,1,0,0|3,0,0]=4 656 B11R2.36 C1=C2C(=CC=C1C)[NH]C=C2 PI-10262 [0,0,0,1,0,0|2,0,1]=4 657 B11R2.36 C1=CC2=C(C=C1Cl)N=CO2 PI-12027 [0,0,0,1,0,0|2,0,1]=4 658 B11R2.36 C1=CC2=C(C=CO2)C=C1Br PI-19337 [0,0,0,1,0,0|2,0,1]=4 659 B11R2.36 C1CC2=C(C1)C=C(C=C2)N PI-17685 [0,0,0,1,0,0|3,0,0]=4 660 B11R2.36 C1CNC2=C1C=C(C=C2)Cl PI-11098 [0,0,0,1,0,0|3,0,0]=4 661 B11R2.36 C1CNC2=C1C=C(C=C2)O PI-36194 [0,0,0,1,0,0|3,0,0]=4 662 B11R2.36 C1CNC2=C1C=CC(=C2)Br PI-36067 [0,0,0,1,0,0|3,0,0]=4 663 B11R2.36 C1COC2=C1C=C(C=C2)Br PI-21650 [0,0,0,1,0,0|2,0,0]=3 664 B11R2.36 C1OC2=C(O1)C=C(C=C2)Cl PI-30880 [0,0,0,1,0,0|1,0,0]=2 665 B11R2.36 C1OC2=C(O1)C=C(C=C2)N PI-12185 [0,0,0,1,0,0|1,0,0]=2 666 B11R2.36 CC1=CC2=C(C=C1)N=CN2 PI-29770 [0,0,0,1,0,0|2,0,1]=4 667 B11R2.36 CC1=CC2=C(C=C1)N=CS2 PI-45360 [0,0,0,1,0,0|1,1,1]=4 668 B11R2.36 CC1=CC2=C(C=C1)OC=N2 PI-10825 [0,0,0,1,0,0|1,0,1]=3 669 B11R2.36 CC1=CC=C2SC=CC2=C1 PI-14225 [0,0,0,1,0,0|1,1,1]=4 670 B11R2.36 CC1=CC=C2[NH]N=CC2=C1 PI-41809 [0,0,0,1,0,0|3,0,0]=4 671 B11R2.36 Cc1ccc2c(c1)[nH]cc2 PI-16265 [0,0,0,1,0,0|2,0,1]=4 672 B11R2.36 Clc1ccc2CCNc2c1 PI-36115 [0,0,0,1,0,0|3,0,0]=4 673 B11R2.36 NC1=CC=C2OC=CC2=C1 PI-40038 [0,0,0,1,0,0|2,0,1]=4 674 B11R2.36 Oc1ccc2c(c1)OCO2 PI-15354 [0,0,0,1,0,0|1,0,0]=2 675 B11R2.36 SC1=CC=C2OCOC2=C1 PI-42647 [0,0,0,1,0,0|1,0,0]=2 676 B9R1.27 CCc1c(C)c[nH]c1C PI-31899 [0,0,0,0,1,0|3,0,0]=4 677 B8R1.2 BrCC1=CC=CC=C1 PI-36476 [2,0,0,0,0,0|2,0,0]=4 678 B8R1.2 C#CC1=CC=CC=C1 PI-48958 [2,0,0,0,0,0|1,0,1]=4 679 B8R1.2 CCC1=CC=CC=N1 PI-49466 [2,0,0,0,0,0|2,0,0]=4 680 B8R1.2 CC[N+]1=CC=CC=C1 PI-13342 [2,0,0,0,0,0|2,0,0]=4 681 B8R1.2 CC[N+]1=CC=CC=C1 PI-13347 [2,0,0,0,0,0|2,0,0]=4 682 B8R1.2 CNC1=CC=CC=N1 PI-11864 [2,0,0,0,0,0|2,0,0]=4 683 B8R1.2 CNC1=CC=NC=C1 PI-23603 [2,0,0,0,0,0|2,0,0]=4 684 B8R1.2 CNC1=CN=CC=C1 PI-11328 [2,0,0,0,0,0|2,0,0]=4 685 B8R1.2 COC1=CC=CC=N1 PI-33887 [2,0,0,0,0,0|1,0,0]=3 686 B8R1.2 COC1=CC=NC=C1 PI-10034 [2,0,0,0,0,0|1,0,0]=3 687 B8R1.2 COC1=CN=CC=C1 PI-33889 [2,0,0,0,0,0|1,0,0]=3 688 B8R1.2 COC1=NC=CN=C1 PI-11859 [2,0,0,0,0,0|2,0,0]=4 689 B8R1.2 CSC1=CC=CC=N1 PI-16757 [2,0,0,0,0,0|1,1,0]=4 690 B8R1.2 NCC1=CC=CC=C1 PI-37209 [2,0,0,0,0,0|2,0,0]=4 691 B8R1.2 NNC1=CC=CC=C1 PI-41551 [2,0,0,0,0,0|2,0,0]=4 692 B8R1.2 ONc1ccccc1 PI-38448 [2,0,0,0,0,0|2,0,0]=4 693 B8R1.2 [C-]#CC1=CC=CC=C1 PI-48435 [2,0,0,0,0,0|1,0,1]=4 694 B8R1.4 Brc1cccc(I)c1 PI-21524 [2,0,0,0,0,0|2,0,0]=4 695 B8R1.4 Brc1cccc(c1)Br PI-11676 [2,0,0,0,0,0|2,0,0]=4 696 B8R1.4 Brc1ccnc(c1)C PI-32240 [2,0,0,0,0,0|2,0,0]=4 697 B8R1.4 C1=C(C=NC=C1Cl)O PI-40461 [2,0,0,0,0,0|2,0,0]=4 698 B8R1.4 C1=CC(=CC(=C1)Br)F PI-12279 [2,0,0,0,0,0|2,0,0]=4 699 B8R1.4 C1=CC(=CC(=C1)Br)S PI-15584 [2,0,0,0,0,0|1,1,0]=4 700 B8R1.4 C1=CC(=CC(=C1)F)O PI-16947 [2,0,0,0,0,0|1,0,0]=3 701 B8R1.4 C1=CC(=CC(=C1)I)F PI-12350 [2,0,0,0,0,0|2,0,0]=4 702 B8R1.4 C1=CC(=CC(=C1)I)N PI-41422 [2,0,0,0,0,0|2,0,0]=4 703 B8R1.4 C1=CC(=C[N+](=C1)[O-])O PI-13309 [2,0,0,0,0,0|2,0,0]=4 704 B8R1.4 C1=CC(=O)NC(=C1)O PI-11767 [2,0,0,0,0,0|2,0,0]=4 705 B8R1.4 C1=CNC(=O)C=C1O PI-10171 [2,0,0,0,0,0|2,0,0]=4 706 B8R1.4 CC1=CC(=CC=C1)I PI-10981 [2,0,0,0,0,0|1,0,0]=3 707 B8R1.4 CC1=CC(=CN=C1)Br PI-27499 [2,0,0,0,0,0|2,0,0]=4 708 B8R1.4 CC1=CC(=CN=C1)F PI-16772 [2,0,0,0,0,0|2,0,0]=4 709 B8R1.4 CC1=CC(=NC=C1)Br PI-10385 [2,0,0,0,0,0|2,0,0]=4 710 B8R1.4 CC1=CC(=NC=C1)Cl PI-16626 [2,0,0,0,0,0|2,0,0]=4 711 B8R1.4 CC1=CC=CC(=O)N1 PI-16688 [2,0,0,0,0,0|1,0,1]=4 712 B8R1.4 CC1=CN=CC(=N1)C PI-11052 [2,0,0,0,0,0|2,0,0]=4 713 B8R1.4 CC1=C[N+](=CC=C1)[O-] PI-33810 [2,0,0,0,0,0|1,0,1]=4 714 B8R1.4 CC1=NC(=CC=C1)Br PI-23524 [2,0,0,0,0,0|2,0,0]=4 715 B8R1.4 CC1=NC=CC(=C1)N PI-13314 [2,0,0,0,0,0|2,0,0]=4 716 B8R1.4 Cc1cccc(N)n1 PI-32836 [2,0,0,0,0,0|2,0,0]=4 717 B8R1.4 Cc1cccc(n1)Cl PI-28225 [2,0,0,0,0,0|2,0,0]=4 718 B8R1.4 Cc1cccc(n1)F PI-16770 [2,0,0,0,0,0|2,0,0]=4 719 B8R1.4 Cc1ccnc(N)c1 PI-32462 [2,0,0,0,0,0|2,0,0]=4 720 B8R1.4 Cc1ccnc(c1)F PI-23598 [2,0,0,0,0,0|2,0,0]=4 721 B8R1.4 Clc1cccc(c1)I PI-39251 [2,0,0,0,0,0|2,0,0]=4 722 B8R1.4 FC1=CC(=CN=C1)O PI-40460 [2,0,0,0,0,0|2,0,0]=4 723 B8R1.4 Fc1cccc(Cl)c1 PI-33064 [2,0,0,0,0,0|2,0,0]=4 724 B8R1.4 Fc1cccc(c1)F PI-11677 [2,0,0,0,0,0|2,0,0]=4 725 B8R1.4 Fc1cccc(c1)S PI-16910 [2,0,0,0,0,0|1,1,0]=4 726 B8R1.4 Nc1cccc(F)c1 PI-16946 [2,0,0,0,0,0|2,0,0]=4 727 B8R1.4 Nc1cccc(S)c1 PI-21351 [2,0,0,0,0,0|1,1,0]=4 728 B8R1.4 OC1=NC=CC(C)=C1 PI-28120 [2,0,0,0,0,0|1,0,0]=3 729 B8R1.4 Oc1cccc(c1)I PI-10955 [2,0,0,0,0,0|1,0,0]=3 730 B8R1.4 Oc1cccc(c1)S PI-21360 [2,0,0,0,0,0|1,0,0]=3 731 B8R1.4 Oc1ccnc(c1)N PI-34188 [2,0,0,0,0,0|2,0,0]=4 732 B8R1.4 Oc1cncc(c1)Br PI-27886 [2,0,0,0,0,0|2,0,0]=4 733 B8R1.4 Sc1cccc(Cl)c1 PI-11010 [2,0,0,0,0,0|1,1,0]=4 734 B8R1.5 Brc1ccccc1Br PI-38145 [2,0,0,0,0,0|2,0,0]=4 735 B8R1.5 C1=CC(=C(N=C1)Cl)O PI-16697 [2,0,0,0,0,0|2,0,0]=4 736 B8R1.5 C1=CC(=C(N=C1)F)O PI-40205 [2,0,0,0,0,0|2,0,0]=4 737 B8R1.5 C1=CC(=O)N(C=C1)O PI-43160 [2,0,0,0,0,0|1,0,1]=4 738 B8R1.5 C1=CC(=S)N(C=C1)O PI-13313 [2,0,0,0,0,0|1,1,0]=4 739 B8R1.5 C1=CC(=S)N(C=C1)O PI-15830 [2,0,0,0,0,0|1,1,0]=4 740 B8R1.5 C1=CC=C(C(=C1)Cl)Br PI-41004 [2,0,0,0,0,0|2,0,0]=4 741 B8R1.5 C1=CC=C(C(=C1)Cl)Cl PI-21004 [2,0,0,0,0,0|2,0,0]=4 742 B8R1.5 C1=CC=C(C(=C1)F)I PI-23606 [2,0,0,0,0,0|2,0,0]=4 743 B8R1.5 C1=CC=C(C(=C1)F)S PI-16911 [2,0,0,0,0,0|1,1,0]=4 744 B8R1.5 C1=CC=C(C(=C1)N)I PI-10964 [2,0,0,0,0,0|2,0,0]=4 745 B8R1.5 C1=CC=C(C(=C1)N)N PI-17100 [2,0,0,0,0,0|2,0,0]=4 746 B8R1.5 C1=CC=C(C(=C1)O)F PI-11848 [2,0,0,0,0,0|1,0,0]=3 747 B8R1.5 CC1=C(Br)C=CN=C1 PI-40508 [2,0,0,0,0,0|2,0,0]=4 748 B8R1.5 CC1=C(C=CC=N1)Br PI-23460 [2,0,0,0,0,0|2,0,0]=4 749 B8R1.5 CC1=C(C=CN=C1)Cl PI-40252 [2,0,0,0,0,0|2,0,0]=4 750 B8R1.5 CC1=C(C=CN=C1)N PI-14242 [2,0,0,0,0,0|2,0,0]=4 751 B8R1.5 CC1=C(C=NC=C1)F PI-16771 [2,0,0,0,0,0|2,0,0]=4 752 B8R1.5 CC1=C(C=NC=C1)O PI-34258 [2,0,0,0,0,0|1,0,0]=3 753 B8R1.5 CC1=C(N=CC=C1)F PI-16763 [2,0,0,0,0,0|2,0,0]=4 754 B8R1.5 CC1=C(N=CC=C1)N PI-33812 [2,0,0,0,0,0|2,0,0]=4 755 B8R1.5 CC1=CC=CC=C1I PI-10980 [2,0,0,0,0,0|1,0,0]=3 756 B8R1.5 CC1=CC=CC=[N+]1N PI-45950 [2,0,0,0,0,0|2,0,0]=4 757 B8R1.5 Cc1ccccc1F PI-34118 [2,0,0,0,0,0|1,0,0]=3 758 B8R1.5 Cc1cccnc1Br PI-28405 [2,0,0,0,0,0|2,0,0]=4 759 B8R1.5 Cc1cccnc1Cl PI-33878 [2,0,0,0,0,0|2,0,0]=4 760 B8R1.5 Cc1ccncc1Br PI-23509 [2,0,0,0,0,0|2,0,0]=4 761 B8R1.5 Cc1ccncc1N PI-24336 [2,0,0,0,0,0|2,0,0]=4 762 B8R1.5 Cc1cnccc1Br PI-33360 [2,0,0,0,0,0|2,0,0]=4 763 B8R1.5 Cc1cnccc1O PI-38275 [2,0,0,0,0,0|1,0,0]=3 764 B8R1.5 Clc1cccc[n+]1C PI-17309 [2,0,0,0,0,0|2,0,0]=4 765 B8R1.5 Fc1ccccc1Br PI-33063 [2,0,0,0,0,0|2,0,0]=4 766 B8R1.5 Fc1ccccc1F PI-11671 [2,0,0,0,0,0|2,0,0]=4 767 B8R1.5 IC1=CC=CC=C1Br PI-21523 [2,0,0,0,0,0|2,0,0]=4 768 B8R1.5 IC1=CC=CC=C1I PI-21274 [2,0,0,0,0,0|2,0,0]=4 769 B8R1.5 Nc1cccnc1C PI-13066 [2,0,0,0,0,0|2,0,0]=4 770 B8R1.5 O=c1[nH]cccc1C PI-16687 [2,0,0,0,0,0|1,0,1]=4 771 B8R1.5 O=c1ccccn1C PI-10985 [2,0,0,0,0,0|1,0,1]=4 772 B8R1.5 OC1=C(I)C=CC=C1 PI-10953 [2,0,0,0,0,0|1,0,0]=3 773 B8R1.5 OC1=NC=CC=C1Br PI-37057 [2,0,0,0,0,0|2,0,0]=4 774 B8R1.5 Oc1ccccc1Br PI-10952 [2,0,0,0,0,0|1,0,0]=3 775 B8R1.5 Oc1ccccc1O PI-31351 [2,0,0,0,0,0|0,0,0]=2 776 B8R1.5 Oc1ccccc1S PI-20878 [2,0,0,0,0,0|0,1,0]=3 777 B8R1.5 Oc1cccnc1Br PI-16727 [2,0,0,0,0,0|2,0,0]=4 778 B8R1.5 Oc1cccnc1C PI-13315 [2,0,0,0,0,0|1,0,0]=3 779 B8R1.5 Oc1cccnc1N PI-16260 [2,0,0,0,0,0|2,0,0]=4 780 B8R1.5 Oc1ccncc1Br PI-38971 [2,0,0,0,0,0|2,0,0]=4 781 B8R1.5 Oc1ncccc1O PI-11386 [2,0,0,0,0,0|1,0,0]=3 782 B8R1.3 Brc1ccc(C)cn1 PI-10149 [2,0,0,0,0,0|2,0,0]=4 783 B8R1.3 Brc1ccc(I)cc1 PI-21525 [2,0,0,0,0,0|2,0,0]=4 784 B8R1.3 C1=CC(=CC=C1Cl)Br PI-48678 [2,0,0,0,0,0|2,0,0]=4 785 B8R1.3 C1=CC(=CC=C1Cl)I PI-20137 [2,0,0,0,0,0|2,0,0]=4 786 B8R1.3 C1=CC(=CC=C1F)S PI-17595 [2,0,0,0,0,0|1,1,0]=4 787 B8R1.3 C1=CC(=CC=C1F)[S-] PI-28110 [2,0,0,0,0,0|1,1,0]=4 788 B8R1.3 C1=CC(=CC=C1N)S PI-14246 [2,0,0,0,0,0|1,1,0]=4 789 B8R1.3 C1=CC(=CC=C1S)Br PI-21352 [2,0,0,0,0,0|1,1,0]=4 790 B8R1.3 C1=CC(=NC=C1O)Cl PI-10086 [2,0,0,0,0,0|2,0,0]=4 791 B8R1.3 C1=CC(=NC=C1O)I PI-34186 [2,0,0,0,0,0|2,0,0]=4 792 B8R1.3 C1=CC(=NC=C1O)N PI-34189 [2,0,0,0,0,0|2,0,0]=4 793 B8R1.3 CC1=CN=C(C=C1)F PI-34372 [2,0,0,0,0,0|2,0,0]=4 794 B8R1.3 CC1=CNC(=O)C=C1 PI-15774 [2,0,0,0,0,0|1,0,1]=4 795 B8R1.3 CC1=NC=C(C=C1)F PI-16773 [2,0,0,0,0,0|2,0,0]=4 796 B8R1.3 CC1=NC=C(C=C1)O PI-11928 [2,0,0,0,0,0|1,0,0]=3 797 B8R1.3 CC1=NC=C(C=N1)O PI-42081 [2,0,0,0,0,0|2,0,0]=4 798 B8R1.3 Cc1ccc(Cl)cn1 PI-36942 [2,0,0,0,0,0|2,0,0]=4 799 B8R1.3 Cc1ccc(F)cc1 PI-34120 [2,0,0,0,0,0|1,0,0]=3 800 B8R1.3 Cc1ccc(I)cc1 PI-13709 [2,0,0,0,0,0|1,0,0]=3 801 B8R1.3 Cc1ccc(cn1)Br PI-23479 [2,0,0,0,0,0|2,0,0]=4 802 B8R1.3 Cc1ccc(cn1)N PI-13104 [2,0,0,0,0,0|2,0,0]=4 803 B8R1.3 Clc1ccc(cn1)C PI-16696 [2,0,0,0,0,0|2,0,0]=4 804 B8R1.3 FC1=CC=C(Br)C=C1 PI-33066 [2,0,0,0,0,0|2,0,0]=4 805 B8R1.3 FC1=NC=C(C=C1)O PI-40204 [2,0,0,0,0,0|2,0,0]=4 806 B8R1.3 Fc1ccc(I)cc1 PI-15769 [2,0,0,0,0,0|2,0,0]=4 807 B8R1.3 Fc1ccc(cc1)F PI-11683 [2,0,0,0,0,0|2,0,0]=4 808 B8R1.3 Ic1ccc(cc1)I PI-10976 [2,0,0,0,0,0|2,0,0]=4 809 B8R1.3 Nc1ccc(O)cc1 PI-34110 [2,0,0,0,0,0|1,0,0]=3 810 B8R1.3 Nc1ccc(cc1)F PI-33065 [2,0,0,0,0,0|2,0,0]=4 811 B8R1.3 Nc1ccc(cc1)I PI-25653 [2,0,0,0,0,0|2,0,0]=4 812 B8R1.3 Nc1ccc(cn1)C PI-25208 [2,0,0,0,0,0|2,0,0]=4 813 B8R1.3 OC1=CN=C(Br)C=C1 PI-40203 [2,0,0,0,0,0|2,0,0]=4 814 B8R1.3 OC1=NC=C(N)C=C1 PI-37317 [2,0,0,0,0,0|2,0,0]=4 815 B8R1.3 Oc1ccc(Br)cc1 PI-22230 [2,0,0,0,0,0|1,0,0]=3 816 B8R1.3 Oc1ccc(I)cc1 PI-10956 [2,0,0,0,0,0|1,0,0]=3 817 B8R1.3 Oc1ccc(cc1)F PI-27532 [2,0,0,0,0,0|1,0,0]=3 818 B8R1.3 Oc1ccc(cc1)S PI-21361 [2,0,0,0,0,0|1,0,0]=3 819 B8R1.3 Oc1ccc(cn1)Br PI-16568 [2,0,0,0,0,0|2,0,0]=4 820 B8R1.3 Oc1ccc(cn1)C PI-37410 [2,0,0,0,0,0|1,0,0]=3 821 B8R1.3 Oc1ccc(cn1)Cl PI-15823 [2,0,0,0,0,0|2,0,0]=4 822 B8R1.3 Oc1ccc(cn1)F PI-34437 [2,0,0,0,0,0|2,0,0]=4 823 B8R1.3 Oc1ccc(cn1)N PI-28402 [2,0,0,0,0,0|2,0,0]=4 824 B8R1.3 [O-][n+]1ccc(cc1)C PI-33172 [2,0,0,0,0,0|1,0,1]=4 825 B10R1.2 CC1=C(C(=CC=C1)C#N)C PI-21940 [1,1,0,0,0,0|2,0,0]=4 826 B10R1.2 CC1=C(C(=CC=C1)C#N)F PI-10707 [1,1,0,0,0,0|2,0,0]=4 827 B10R1.2 CC1=C(C(=CC=C1)C=O)C PI-10267 [1,1,0,0,0,0|2,0,0]=4 828 B10R1.2 CC1=C(C(=CC=C1)CBr)C PI-19918 [1,1,0,0,0,0|2,0,0]=4 829 B10R1.2 CC1=C(C(=CC=C1)CBr)F PI-23752 [1,1,0,0,0,0|2,0,0]=4 830 B10R1.2 CC1=C(C(=CC=C1)NN)C PI-29705 [1,1,0,0,0,0|2,0,0]=4 831 B10R1.2 CC1=C(C(=CC=C1)OC)C PI-33340 [1,1,0,0,0,0|0,0,0]=2 832 B10R1.2 CC1=C(C=CC=C1Cl)OC PI-19448 [1,1,0,0,0,0|1,0,0]=3 833 B10R1.2 CC1=C(C=CC=C1OC)N PI-19271 [1,1,0,0,0,0|1,0,0]=3 834 B10R1.2 CCC1=CC=CC(=C1N)C PI-34080 [1,1,0,0,0,0|1,0,0]=3 835 B10R1.2 COC1=C(C(=CC=C1)F)Br PI-34352 [1,1,0,0,0,0|1,0,0]=3 836 B10R1.2 COC1=C(C(=CC=C1)F)F PI-28119 [1,1,0,0,0,0|1,0,0]=3 837 B10R1.2 COC1=CC=CC(=C1Cl)N PI-34739 [1,1,0,0,0,0|1,0,0]=3 838 B10R1.2 COc1cccc(O)c1Br PI-34766 [1,1,0,0,0,0|1,0,0]=3 839 B10R1.2 COc1cccc(c1N)O PI-38206 [1,1,0,0,0,0|1,0,0]=3 840 B10R1.2 COc1cccc(c1O)O PI-19986 [1,1,0,0,0,0|1,0,0]=3 841 B10R1.2 CSC1=C(C)C(Cl)=CC=C1 PI-39859 [1,1,0,0,0,0|1,1,0]=4 842 B10R1.2 O=Cc1cccc(C)c1F PI-28944 [1,1,0,0,0,0|2,0,0]=4 843 B10R1.2 O=Cc1cccc(C)c1O PI-27937 [1,1,0,0,0,0|2,0,0]=4 844 B10R1.8 CC1=CC(=CC(=C1)Br)OC PI-19403 [1,1,0,0,0,0|0,0,0]=2 845 B10R1.8 CC1=CC(=CC(=C1)C#N)C PI-23424 [1,1,0,0,0,0|2,0,0]=4 846 B10R1.8 CC1=CC(=CC(=C1)CBr)C PI-24287 [1,1,0,0,0,0|2,0,0]=4 847 B10R1.8 CC1=CC(=CC(=C1)CN)C PI-21942 [1,1,0,0,0,0|2,0,0]=4 848 B10R1.8 CC1=CC(=CC(=C1)F)C#N PI-10708 [1,1,0,0,0,0|2,0,0]=4 849 B10R1.8 CC1=CC(=CC(=C1)NN)C PI-21975 [1,1,0,0,0,0|2,0,0]=4 850 B10R1.8 CC1=CC(=CC(=O)O1)OC PI-48746 [1,1,0,0,0,0|1,0,0]=3 851 B10R1.8 CC1=CC(=NC(=N1)N)OC PI-30926 [1,1,0,0,0,0|2,0,0]=4 852 B10R1.8 CC1=NC(OC)=CC(Cl)=N1 PI-46743 [1,1,0,0,0,0|2,0,0]=4 853 B10R1.8 COC1=CC(=CC(=C1)Br)Br PI-19875 [1,1,0,0,0,0|1,0,0]=3 854 B10R1.8 COC1=CC(=CC(=C1)Cl)F PI-20056 [1,1,0,0,0,0|1,0,0]=3 855 B10R1.8 COC1=CC(Cl)=CC(Br)=C1 PI-41830 [1,1,0,0,0,0|1,0,0]=3 856 B10R1.8 COc1cc(C)cc(c1)C PI-34203 [1,1,0,0,0,0|0,0,0]=2 857 B10R1.8 COc1cc(C)nc(Cl)n1 PI-36372 [1,1,0,0,0,0|2,0,0]=4 858 B10R1.8 COc1cc(F)cc(F)c1 PI-31329 [1,1,0,0,0,0|1,0,0]=3 859 B10R1.8 COc1cc(F)cc(c1)Br PI-10475 [1,1,0,0,0,0|1,0,0]=3 860 B10R1.8 COc1cc(O)cc(c1)O PI-17720 [1,1,0,0,0,0|1,0,0]=3 861 B10R1.8 CSC1=CC(=CC(=C1)Cl)Cl PI-11896 [1,1,0,0,0,0|1,1,0]=4 862 B10R1.8 NC1=CC(C)=CC(OC)=C1 PI-37340 [1,1,0,0,0,0|0,0,0]=2 863 B10R1.8 NC1=CC(OC)=CC(Cl)=C1 PI-36641 [1,1,0,0,0,0|1,0,0]=3 864 B10R1.8 O=Cc1cc(C)cc(F)c1 PI-28945 [1,1,0,0,0,0|2,0,0]=4 865 B10R1.8 O=Cc1cc(C)cc(c1)C PI-27730 [1,1,0,0,0,0|2,0,0]=4 866 B10R1.8 OC1=CC(C)=CC(OC)=C1 PI-20801 [1,1,0,0,0,0|0,0,0]=2 867 B10R1.10 BrCCc1cccc(C)c1 PI-21424 [1,1,0,0,0,0|1,0,0]=3 868 B10R1.10 BrCCc1cccc(Cl)c1 PI-21414 [1,1,0,0,0,0|2,0,0]=4 869 B10R1.10 C1=CC(=CC(=C1)Br)CCN PI-48226 [1,1,0,0,0,0|2,0,0]=4 870 B10R1.10 C1=CC(=CC(=C1)F)CCBr PI-23811 [1,1,0,0,0,0|2,0,0]=4 871 B10R1.10 C1=CC(=CC(=C1)O)CCN PI-12399 [1,1,0,0,0,0|2,0,0]=4 872 B10R1.10 C1=CC(=CC(=C1)O)CCO PI-48194 [1,1,0,0,0,0|2,0,0]=4 873 B10R1.10 CC1=CC(=CC=C1)N=C=O PI-50375 [1,1,0,0,0,0|1,0,1]=4 874 B10R1.10 CCOC1=CC(=CC=C1)F PI-33067 [1,1,0,0,0,0|1,0,0]=3 875 B10R1.10 CCOC1=CC(=CC=C1)S PI-21359 [1,1,0,0,0,0|1,0,0]=3 876 B10R1.10 CCOC1=NC=CC(=C1)N PI-31798 [1,1,0,0,0,0|2,0,0]=4 877 B10R1.10 CCOc1cccc(c1)Br PI-38261 [1,1,0,0,0,0|1,0,0]=3 878 B10R1.10 NCCc1cccc(c1)F PI-33071 [1,1,0,0,0,0|2,0,0]=4 879 B10R1.10 OCCc1cccc(c1)Cl PI-38594 [1,1,0,0,0,0|2,0,0]=4 880 B10R1.113 B(C1=CC(=CC=C1)C)(O)O PI-11574 [1,1,0,0,0,0|2,0,0]=4 881 B10R1.113 Brc1cccc(c1)C(N)C PI-34608 [1,1,0,0,0,0|2,0,0]=4 882 B10R1.113 Brc1cccc(c1)[C@@H](N)C PI-34607 [1,1,0,0,0,0|2,0,0]=4 883 B10R1.113 CC(=O)C1=CC(=CC=C1)I PI-29141 [1,1,0,0,0,0|2,0,0]=4 884 B10R1.113 CC(C1=CC(=CC=C1)Br)O PI-19679 [1,1,0,0,0,0|2,0,0]=4 885 B10R1.113 CC(C1=CC(=CC=C1)Cl)O PI-32583 [1,1,0,0,0,0|2,0,0]=4 886 B10R1.113 CC(C1=CC(=CC=C1)F)N PI-34605 [1,1,0,0,0,0|2,0,0]=4 887 B10R1.113 CC(C1=CC(=CC=C1)F)N PI-34606 [1,1,0,0,0,0|2,0,0]=4 888 B10R1.113 CC(C1=CC(=CC=C1)F)O PI-32581 [1,1,0,0,0,0|2,0,0]=4 889 B10R1.113 CC1=CC(=CC=C1)C(=N)N PI-30283 [1,1,0,0,0,0|2,0,0]=4 890 B10R1.113 CC1=CC(=CC=C1)C(=O)C PI-10859 [1,1,0,0,0,0|1,0,0]=3 891 B10R1.113 CC1=CC(=CC=C1)N(C)N PI-29882 [1,1,0,0,0,0|1,0,0]=3 892 B10R1.113 CC1=CC(=CC=C1)[C@@H](C)O PI-49835 [1,1,0,0,0,0|1,0,0]=3 893 B10R1.113 CC1=NC=CC(C(C)=O)=C1 PI-46770 [1,1,0,0,0,0|2,0,0]=4 894 B10R1.113 C[C@@H](C1=CC(=CC=C1)Br)O PI-49804 [1,1,0,0,0,0|2,0,0]=4 895 B10R1.113 C[C@@H](O)C1=CC=CC(Br)=C1 PI-37056 [1,1,0,0,0,0|2,0,0]=4 896 B10R1.113 Clc1cccc(c1)[C@@H](N)C PI-34603 [1,1,0,0,0,0|2,0,0]=4 897 B10R1.113 Clc1cccc(c1)[C@H](N)C PI-34604 [1,1,0,0,0,0|2,0,0]=4 898 B10R1.113 Fc1cccc(c1)C(=O)C PI-28549 [1,1,0,0,0,0|2,0,0]=4 899 B10R1.113 Nc1cccc(c1)C(=O)C PI-32567 [1,1,0,0,0,0|2,0,0]=4 900 B10R1.113 Nc1cccc(c1)N(C)C PI-30522 [1,1,0,0,0,0|2,0,0]=4 901 B10R1.113 Oc1cccc(c1)C(=O)C PI-31363 [1,1,0,0,0,0|2,0,0]=4 902 B10R1.113 S=C(N)C1=CC=CC(C)=C1 PI-19344 [1,1,0,0,0,0|2,0,0]=4 903 B10R1.113 Sc1cccc(c1)N(C)C PI-23411 [1,1,0,0,0,0|2,0,0]=4 904 B10R1.172 BrCC1=CC(CBr)=CC=C1 PI-32198 [1,1,0,0,0,0|2,0,0]=4 905 B10R1.172 BrCc1cccc(C=O)c1 PI-26927 [1,1,0,0,0,0|2,0,0]=4 906 B10R1.172 C1=CC(=CC(=C1)C#N)CBr PI-11546 [1,1,0,0,0,0|2,0,0]=4 907 B10R1.172 C1=CC(=CC(=C1)C#N)CO PI-46956 [1,1,0,0,0,0|2,0,0]=4 908 B10R1.172 C1=CC(=CC(=C1)CO)CO PI-11678 [1,1,0,0,0,0|2,0,0]=4 909 B10R1.172 CCC1=CC(=CC=C1)C#N PI-22051 [1,1,0,0,0,0|1,0,1]=4 910 B10R1.172 CNC1=NC(=CC=C1)OC PI-11646 [1,1,0,0,0,0|1,0,0]=3 911 B10R1.172 COC1=CC(=CC=C1)OC PI-35273 [1,1,0,0,0,0|0,0,0]=2 912 B10R1.172 COC1=CC(=NC=C1)CN PI-50083 [1,1,0,0,0,0|1,0,0]=3 913 B10R1.172 COC1=CC(=NC=C1)OC PI-26237 [1,1,0,0,0,0|1,0,0]=3 914 B10R1.172 COC1=CC(=NC=N1)OC PI-21332 [1,1,0,0,0,0|2,0,0]=4 915 B10R1.172 COC1=CC=CC(=C1)C#N PI-31072 [1,1,0,0,0,0|0,0,1]=3 916 B10R1.172 COC1=CC=CC(=C1)CBr PI-49400 [1,1,0,0,0,0|0,0,0]=2 917 B10R1.172 COC1=CC=CC(=C1)CN PI-31714 [1,1,0,0,0,0|0,0,0]=2 918 B10R1.172 COC1=CC=CC(=C1)NN PI-29546 [1,1,0,0,0,0|1,0,0]=3 919 B10R1.172 COC1=NC(=CC=C1)OC PI-34404 [1,1,0,0,0,0|1,0,0]=3 920 B10R1.172 COC1=NC(=NC=C1)OC PI-21327 [1,1,0,0,0,0|2,0,0]=4 921 B10R1.172 COc1cccc(c1)C=O PI-32570 [1,1,0,0,0,0|0,0,1]=3 922 B10R1.172 COc1cccc(n1)C=O PI-26723 [1,1,0,0,0,0|1,0,1]=4 923 B10R1.172 COc1nccc(c1)CO PI-39370 [1,1,0,0,0,0|1,0,0]=3 924 B10R1.172 ClCc1cccc(c1)OC PI-32021 [1,1,0,0,0,0|0,0,0]=2 925 B10R1.172 N#CC1=NC(OC)=CC=C1 PI-46677 [1,1,0,0,0,0|1,0,1]=4 926 B10R1.172 N#CC1=NC=CC(OC)=C1 PI-46678 [1,1,0,0,0,0|1,0,1]=4 927 B10R1.172 O=CC1=CC(OC)=CN=C1 PI-37016 [1,1,0,0,0,0|1,0,1]=4 928 B10R1.172 OCc1cccc(CBr)c1 PI-22137 [1,1,0,0,0,0|2,0,0]=4 929 B10R1.172 OCc1cccc(c1)OC PI-31272 [1,1,0,0,0,0|0,0,0]=2 930 B10R1.176 BrCc1ccc(F)c(C)c1 PI-23754 [1,1,0,0,0,0|2,0,0]=4 931 B10R1.176 CC1=C(C=C(C=C1)C=O)C PI-11614 [1,1,0,0,0,0|2,0,0]=4 932 B10R1.176 CC1=C(C=C(C=C1)CCl)C PI-23827 [1,1,0,0,0,0|2,0,0]=4 933 B10R1.176 CC1=C(C=C(C=C1)CN)C PI-33680 [1,1,0,0,0,0|2,0,0]=4 934 B10R1.176 CC1=C(C=C(C=C1)NN)C PI-50516 [1,1,0,0,0,0|2,0,0]=4 935 B10R1.176 CC1=C(C=C(C=C1)OC)Cl PI-10076 [1,1,0,0,0,0|1,0,0]=3 936 B10R1.176 CC1=C(C=C(C=C1)OC)F PI-28510 [1,1,0,0,0,0|1,0,0]=3 937 B10R1.176 CC1=C(C=CC(=C1)C#N)Br PI-14470 [1,1,0,0,0,0|2,0,0]=4 938 B10R1.176 CC1=C(C=CC(=C1)C#N)F PI-10709 [1,1,0,0,0,0|2,0,0]=4 939 B10R1.176 CC1=C(C=CC(=C1)C#N)N PI-30932 [1,1,0,0,0,0|2,0,0]=4 940 B10R1.176 CC1=C(C=CC(=C1)C=O)F PI-28124 [1,1,0,0,0,0|2,0,0]=4 941 B10R1.176 CC1=C(C=CC(=C1)C=O)O PI-18215 [1,1,0,0,0,0|2,0,0]=4 942 B10R1.176 CC1=C(C=CC(=C1)OC)Br PI-31134 [1,1,0,0,0,0|0,0,0]=2 943 B10R1.176 CC1=C(C=CC(=C1)OC)Cl PI-19110 [1,1,0,0,0,0|0,0,0]=2 944 B10R1.176 CC1=C(C=CC(=C1)OC)F PI-28300 [1,1,0,0,0,0|0,0,0]=2 945 B10R1.176 CC1=C(C=CC(=C1)OC)N PI-11298 [1,1,0,0,0,0|0,0,0]=2 946 B10R1.176 CC1=NC(OC)=NC=C1Br PI-46809 [1,1,0,0,0,0|2,0,0]=4 947 B10R1.176 CCc1ccc(c(c1)O)O PI-19057 [1,1,0,0,0,0|2,0,0]=4 948 B10R1.176 COC1=CC(=C(C=C1)Br)Cl PI-20604 [1,1,0,0,0,0|1,0,0]=3 949 B10R1.176 COC1=CC(=C(C=C1)Br)F PI-10453 [1,1,0,0,0,0|1,0,0]=3 950 B10R1.176 COC1=CC(=C(C=C1)Cl)Br PI-33016 [1,1,0,0,0,0|1,0,0]=3 951 B10R1.176 COC1=CC(=C(C=C1)N)O PI-34837 [1,1,0,0,0,0|1,0,0]=3 952 B10R1.176 COC1=CC(=C(C=C1)O)Br PI-14462 [1,1,0,0,0,0|1,0,0]=3 953 B10R1.176 COC1=CC(=C(C=C1)O)N PI-34807 [1,1,0,0,0,0|1,0,0]=3 954 B10R1.176 COC1=CC(F)=C(O)C=C1 PI-40578 [1,1,0,0,0,0|1,0,0]=3 955 B10R1.176 COC1=CC=C(Cl)C(F)=C1 PI-39520 [1,1,0,0,0,0|1,0,0]=3 956 B10R1.176 COC1=CC=C(N)C(N)=C1 PI-12090 [1,1,0,0,0,0|1,0,0]=3 957 B10R1.176 COC1=NC(=C(C=C1)N)N PI-10380 [1,1,0,0,0,0|2,0,0]=4 958 B10R1.176 COC1=NC(=C(C=C1)N)N PI-33881 [1,1,0,0,0,0|2,0,0]=4 959 B10R1.176 COc1ccc(c(c1)Cl)O PI-20143 [1,1,0,0,0,0|1,0,0]=3 960 B10R1.176 COc1ccc(c(c1)F)F PI-28067 [1,1,0,0,0,0|1,0,0]=3 961 B10R1.176 COc1ccc(c(c1)F)N PI-39131 [1,1,0,0,0,0|1,0,0]=3 962 B10R1.176 COc1ccc(c(c1)N)Br PI-35266 [1,1,0,0,0,0|1,0,0]=3 963 B10R1.176 COc1ccc(c(c1)N)N PI-29731 [1,1,0,0,0,0|1,0,0]=3 964 B10R1.176 COc1ccc(c(n1)C)Br PI-38912 [1,1,0,0,0,0|1,0,0]=3 965 B10R1.176 COc1ncc(c(c1)C)Br PI-38911 [1,1,0,0,0,0|1,0,0]=3 966 B10R1.176 CSC1=CC(=C(C=C1)Cl)Cl PI-11888 [1,1,0,0,0,0|1,1,0]=4 967 B10R1.176 N#Cc1ccc(c(c1)C)C PI-29364 [1,1,0,0,0,0|2,0,0]=4 968 B10R1.176 NNc1ccc(c(c1)C)C PI-29749 [1,1,0,0,0,0|2,0,0]=4 969 B10R1.4 BrCCc1ccccc1C PI-21423 [1,1,0,0,0,0|2,0,0]=4 970 B10R1.4 BrCCc1ccccc1Cl PI-21413 [1,1,0,0,0,0|2,0,0]=4 971 B10R1.4 BrCCc1ccccc1F PI-34239 [1,1,0,0,0,0|2,0,0]=4 972 B10R1.4 C1=CC=C(C(=C1)C=NN)O PI-27488 [1,1,0,0,0,0|2,0,0]=4 973 B10R1.4 C1=CC=C(C(=C1)CCO)F PI-23810 [1,1,0,0,0,0|2,0,0]=4 974 B10R1.4 C=CCC1=CC=CC=C1O PI-46039 [1,1,0,0,0,0|1,0,1]=4 975 B10R1.4 CCNC1=CC=CC=C1F PI-22091 [1,1,0,0,0,0|2,0,0]=4 976 B10R1.4 CCOC1=CC=CC=C1F PI-23815 [1,1,0,0,0,0|1,0,0]=3 977 B10R1.4 CCOC1=CC=CC=C1N PI-30971 [1,1,0,0,0,0|1,0,0]=3 978 B10R1.4 CCOc1ccncc1N PI-33891 [1,1,0,0,0,0|2,0,0]=4 979 B10R1.4 NCCc1ccccc1Br PI-39292 [1,1,0,0,0,0|2,0,0]=4 980 B10R1.4 NCCc1ccccc1Cl PI-20209 [1,1,0,0,0,0|2,0,0]=4 981 B10R1.4 NCCc1ccccc1F PI-38584 [1,1,0,0,0,0|2,0,0]=4 982 B10R1.4 NOCc1ccccc1Cl PI-39246 [1,1,0,0,0,0|2,0,0]=4 983 B10R1.20 C#Cc1ccccc1OC PI-30918 [1,1,0,0,0,0|1,0,0]=3 984 B10R1.20 C1=CC=C(C(=C1)CO)CO PI-11672 [1,1,0,0,0,0|2,0,0]=4 985 B10R1.20 CCC1=CC=CC=C1C=O PI-35265 [1,1,0,0,0,0|1,0,1]=4 986 B10R1.20 CCC1=CC=CC=C1NN PI-12293 [1,1,0,0,0,0|2,0,0]=4 987 B10R1.20 CCC1=CC=CC=C1NN PI-50566 [1,1,0,0,0,0|2,0,0]=4 988 B10R1.20 CCc1ccccc1CC PI-38722 [1,1,0,0,0,0|2,0,0]=4 989 B10R1.20 COC1=C(C=NC=C1)C=O PI-50082 [1,1,0,0,0,0|1,0,1]=4 990 B10R1.20 COC1=CC=CC=C1CN PI-31715 [1,1,0,0,0,0|1,0,0]=3 991 B10R1.20 COC1=CC=CC=C1NN PI-29852 [1,1,0,0,0,0|1,0,0]=3 992 B10R1.20 COC1=CC=CC=C1NN PI-50513 [1,1,0,0,0,0|1,0,0]=3 993 B10R1.20 COC1=CC=CC=C1SC PI-11860 [1,1,0,0,0,0|0,1,0]=3 994 B10R1.20 COc1ccccc1CCl PI-34182 [1,1,0,0,0,0|1,0,0]=3 995 B10R1.20 COc1ncccc1C=O PI-26862 [1,1,0,0,0,0|1,0,1]=4 996 B10R1.20 COc1ncccc1OC PI-16034 [1,1,0,0,0,0|1,0,0]=3 997 B10R1.20 CSC1=CC=CC=C1C=O PI-27861 [1,1,0,0,0,0|0,1,1]=4 998 B10R1.20 N#Cc1ccccc1CO PI-38221 [1,1,0,0,0,0|2,0,0]=4 999 B10R1.20 N#Cc1ccccc1OC PI-11857 [1,1,0,0,0,0|1,0,0]=3 1000 B10R1.25 C1=CC(=C(C=C1Br)O)C#N PI-43950 [1,1,0,0,0,0|2,0,0]=4 1001 B10R1.25 C1=CC(=C(C=C1F)O)C=O PI-18485 [1,1,0,0,0,0|2,0,0]=4 1002 B10R1.25 C1=CC(=C(C=C1O)O)CO PI-11751 [1,1,0,0,0,0|2,0,0]=4 1003 B10R1.25 CC1=C(C=CC(=C1)Br)OC PI-21586 [1,1,0,0,0,0|1,0,0]=3 1004 B10R1.25 CC1=C(C=CC(=C1)Cl)OC PI-19447 [1,1,0,0,0,0|1,0,0]=3 1005 B10R1.25 CC1=CC(=C(C=C1)OC)Cl PI-19323 [1,1,0,0,0,0|1,0,0]=3 1006 B10R1.25 CC1=CC(=C(C=C1)OC)F PI-23730 [1,1,0,0,0,0|1,0,0]=3 1007 B10R1.25 CC1=CC(=C(C=C1)OC)I PI-19656 [1,1,0,0,0,0|1,0,0]=3 1008 B10R1.25 CC1=CC(Br)=CN=C1OC PI-46636 [1,1,0,0,0,0|2,0,0]=4 1009 B10R1.25 CC1=CC(I)=CC=C1OC PI-19887 [1,1,0,0,0,0|1,0,0]=3 1010 B10R1.25 CC1=CC=C(OC)C(Br)=C1 PI-16425 [1,1,0,0,0,0|1,0,0]=3 1011 B10R1.25 CCC1=C(C=C(C=C1)O)O PI-27436 [1,1,0,0,0,0|1,0,0]=3 1012 B10R1.25 CNC1=CC=C(F)C=C1F PI-21200 [1,1,0,0,0,0|2,0,0]=4 1013 B10R1.25 COC1=C(C=C(C=C1)Cl)F PI-33133 [1,1,0,0,0,0|1,0,0]=3 1014 B10R1.25 COC1=C(C=C(C=C1)F)Cl PI-20055 [1,1,0,0,0,0|1,0,0]=3 1015 B10R1.25 COC1=C(C=C(C=C1)F)F PI-16982 [1,1,0,0,0,0|1,0,0]=3 1016 B10R1.25 COC1=C(C=C(C=C1)F)F PI-34388 [1,1,0,0,0,0|1,0,0]=3 1017 B10R1.25 COC1=C(C=C(C=C1)F)N PI-34515 [1,1,0,0,0,0|1,0,0]=3 1018 B10R1.25 COC1=C(C=C(C=C1)F)O PI-34264 [1,1,0,0,0,0|0,0,0]=2 1019 B10R1.25 COC1=C(C=C(C=C1)N)N PI-17225 [1,1,0,0,0,0|1,0,0]=3 1020 B10R1.25 COC1=C(C=C(C=N1)Br)I PI-26761 [1,1,0,0,0,0|2,0,0]=4 1021 B10R1.25 COC1=C(O)C=C(N)C=C1 PI-27246 [1,1,0,0,0,0|0,0,0]=2 1022 B10R1.25 COC1=NC=C(C=C1N)Br PI-44976 [1,1,0,0,0,0|2,0,0]=4 1023 B10R1.25 COc1ccc(F)cc1S PI-23728 [1,1,0,0,0,0|0,1,0]=3 1024 B10R1.25 COc1ccc(S)cc1F PI-23727 [1,1,0,0,0,0|1,0,0]=3 1025 B10R1.25 COc1ccc(cc1Br)Cl PI-20603 [1,1,0,0,0,0|1,0,0]=3 1026 B10R1.25 COc1ccc(cc1Br)F PI-28540 [1,1,0,0,0,0|1,0,0]=3 1027 B10R1.25 COc1ccc(cc1Cl)N PI-38593 [1,1,0,0,0,0|1,0,0]=3 1028 B10R1.25 COc1ccc(cc1F)Br PI-16907 [1,1,0,0,0,0|1,0,0]=3 1029 B10R1.25 COc1ccc(cc1F)N PI-28446 [1,1,0,0,0,0|1,0,0]=3 1030 B10R1.25 COc1ccc(cc1F)O PI-34292 [1,1,0,0,0,0|1,0,0]=3 1031 B10R1.25 COc1ncc(cc1Br)F PI-39398 [1,1,0,0,0,0|2,0,0]=4 1032 B10R1.25 CSc1ccc(cc1C)O PI-18452 [1,1,0,0,0,0|1,1,0]=4 1033 B10R1.25 ClC1=CC(=C(C=O)C=C1)O PI-26343 [1,1,0,0,0,0|2,0,0]=4 1034 B10R1.25 N#Cc1ccc(O)cc1O PI-11750 [1,1,0,0,0,0|2,0,0]=4 1035 B10R1.25 O=Cc1ccc(C)cc1O PI-20805 [1,1,0,0,0,0|2,0,0]=4 1036 B10R1.25 O=Cc1ccc(O)cc1O PI-11749 [1,1,0,0,0,0|2,0,0]=4 1037 B10R1.25 O=Cc1ccc(cc1O)Br PI-26320 [1,1,0,0,0,0|2,0,0]=4 1038 B10R1.61 CC(=O)C1=CC=CC=C1Br PI-12211 [1,1,0,0,0,0|2,0,0]=4 1039 B10R1.61 CC(=O)C1=CC=CC=C1Cl PI-11622 [1,1,0,0,0,0|2,0,0]=4 1040 B10R1.61 CC(=O)C1=CC=CC=C1F PI-16975 [1,1,0,0,0,0|2,0,0]=4 1041 B10R1.61 CC(=O)C1=CC=CC=C1N PI-29399 [1,1,0,0,0,0|2,0,0]=4 1042 B10R1.61 CC(=O)c1ccccc1I PI-29345 [1,1,0,0,0,0|2,0,0]=4 1043 B10R1.61 CC(=O)c1ccccc1N PI-11796 [1,1,0,0,0,0|2,0,0]=4 1044 B10R1.61 CC(C)c1ccccc1S PI-17353 [1,1,0,0,0,0|1,1,0]=4 1045 B10R1.61 CC(C1=CC=CC=C1Cl)O PI-32584 [1,1,0,0,0,0|2,0,0]=4 1046 B10R1.61 CC(C1=CC=CC=C1F)O PI-32582 [1,1,0,0,0,0|2,0,0]=4 1047 B10R1.61 CC(O)C1=CC=CC=C1N PI-46775 [1,1,0,0,0,0|2,0,0]=4 1048 B10R1.61 CC(c1ccccc1Br)C PI-21543 [1,1,0,0,0,0|2,0,0]=4 1049 B10R1.61 CC1=CC=CC=C1C(=O)C PI-12963 [1,1,0,0,0,0|2,0,0]=4 1050 B10R1.61 C[C@@H](C1=CC=CC=C1Br)O PI-50016 [1,1,0,0,0,0|2,0,0]=4 1051 B10R1.61 C[C@@H](C1=CC=CC=C1F)O PI-50014 [1,1,0,0,0,0|2,0,0]=4 1052 B10R1.61 C[C@H](C1=CC=CC=C1Br)O PI-50015 [1,1,0,0,0,0|2,0,0]=4 1053 B10R1.61 C[C@H](C1=CC=CC=C1F)O PI-50013 [1,1,0,0,0,0|2,0,0]=4 1054 B10R1.61 NC(C1=CC=CC=C1O)=S PI-20875 [1,1,0,0,0,0|2,0,0]=4 1055 B10R1.61 OB(c1ccccc1O)O PI-37992 [1,1,0,0,0,0|2,0,0]=4 1056 B10R1.245 C1=CC(=C(C(=C1)F)C#N)O PI-10696 [1,1,0,0,0,0|2,0,0]=4 1057 B10R1.245 CC1=C(C(=O)C=CN1)OC PI-40244 [1,1,0,0,0,0|1,0,1]=4 1058 B10R1.245 COC1=C(C=CC=C1Br)F PI-10731 [1,1,0,0,0,0|1,0,0]=3 1059 B10R1.245 COC1=C(C=CC=C1I)F PI-10732 [1,1,0,0,0,0|1,0,0]=3 1060 B10R1.245 COC1=C(C=CC=C1O)O PI-19401 [1,1,0,0,0,0|0,0,0]=2 1061 B10R1.245 COC1=C(Cl)C=CC=C1Cl PI-42640 [1,1,0,0,0,0|1,0,0]=3 1062 B10R1.245 COc1c(Br)cccc1Br PI-36881 [1,1,0,0,0,0|1,0,0]=3 1063 B10R1.245 COc1c(F)cccc1F PI-28529 [1,1,0,0,0,0|1,0,0]=3 1064 B10R1.245 COc1c(N)cccc1F PI-34516 [1,1,0,0,0,0|1,0,0]=3 1065 B10R1.245 COc1c(O)ccnc1C PI-38274 [1,1,0,0,0,0|1,0,0]=3 1066 B10R1.245 COc1c(O)ncnc1O PI-21331 [1,1,0,0,0,0|2,0,0]=4 1067 B10R1.245 O=CC1=C(O)C=CC=C1Br PI-37162 [1,1,0,0,0,0|2,0,0]=4 1068 B10R1.245 O=Cc1c(O)cccc1Cl PI-27285 [1,1,0,0,0,0|2,0,0]=4 1069 B10R1.245 O=Cc1c(O)cccc1F PI-27539 [1,1,0,0,0,0|2,0,0]=4 1070 B10R1.245 O=Cc1c(O)cccc1O PI-39426 [1,1,0,0,0,0|2,0,0]=4 1071 B10R1.22 Brc1cc(C)c(c(c1)C)F PI-21493 [1,1,0,0,0,0|2,0,0]=4 1072 B10R1.22 Brc1cc(F)c(c(c1)F)O PI-14413 [1,1,0,0,0,0|2,0,0]=4 1073 B10R1.22 C1=C(C=C(C(=C1Br)O)Br)F PI-28412 [1,1,0,0,0,0|2,0,0]=4 1074 B10R1.22 C1=C(C=C(C(=C1Br)O)Br)N PI-30764 [1,1,0,0,0,0|2,0,0]=4 1075 B10R1.22 C1=C(C=C(C(=C1Cl)O)Cl)F PI-28479 [1,1,0,0,0,0|2,0,0]=4 1076 B10R1.22 C1=C(C=C(C(=C1F)O)Br)F PI-21643 [1,1,0,0,0,0|2,0,0]=4 1077 B10R1.22 C1=C(C=C(C(=C1F)O)F)F PI-28292 [1,1,0,0,0,0|2,0,0]=4 1078 B10R1.22 C1=C(C=C(C(=C1N)O)Cl)Cl PI-10562 [1,1,0,0,0,0|2,0,0]=4 1079 B10R1.22 C1=C(C=C(C(=C1O)F)F)Br PI-14414 [1,1,0,0,0,0|2,0,0]=4 1080 B10R1.22 CC1=C(Br)C(C)=CC(Cl)=C1 PI-46853 [1,1,0,0,0,0|2,0,0]=4 1081 B10R1.22 CC1=C(Br)C(C)=CC(I)=C1 PI-46854 [1,1,0,0,0,0|2,0,0]=4 1082 B10R1.22 CC1=CC(=C(C(=C1)Br)N)Br PI-11245 [1,1,0,0,0,0|2,0,0]=4 1083 B10R1.22 CC1=CC(=C(C(=C1)Br)N)C PI-21676 [1,1,0,0,0,0|1,0,0]=3 1084 B10R1.22 CC1=CC(=C(C(=C1)C)Cl)C PI-19184 [1,1,0,0,0,0|1,0,0]=3 1085 B10R1.22 CC1=CC(=C(C(=C1)C)I)C PI-27568 [1,1,0,0,0,0|1,0,0]=3 1086 B10R1.22 CC1=CC(=C(C(=C1)C)S)C PI-17216 [1,1,0,0,0,0|0,1,0]=3 1087 B10R1.22 CC1=CC(=C(C(=C1)N)O)C PI-27576 [1,1,0,0,0,0|0,0,0]=2 1088 B10R1.22 CC1=CC(=C(C(=C1)O)C)C PI-11725 [1,1,0,0,0,0|1,0,0]=3 1089 B10R1.22 CC1=CC(=C(C(=C1)O)O)O PI-19757 [1,1,0,0,0,0|0,0,0]=2 1090 B10R1.22 CC1=CC(=C([N+](=C1)[O-])C)C PI-42566 [1,1,0,0,0,0|2,0,0]=4 1091 B10R1.22 CC1=CC(=CC(=C1C)C)N PI-36166 [1,1,0,0,0,0|2,0,0]=4 1092 B10R1.22 CC1=CC(=CC(=C1Cl)C)F PI-19148 [1,1,0,0,0,0|2,0,0]=4 1093 B10R1.22 CC1=CC(=CC(=C1I)C)O PI-21959 [1,1,0,0,0,0|2,0,0]=4 1094 B10R1.22 CC1=CC(=CC(=C1N)Br)Br PI-11778 [1,1,0,0,0,0|2,0,0]=4 1095 B10R1.22 CC1=CC(=CC(=C1N)Br)F PI-21460 [1,1,0,0,0,0|2,0,0]=4 1096 B10R1.22 CC1=CC(=CC(=C1N)C)Br PI-12728 [1,1,0,0,0,0|2,0,0]=4 1097 B10R1.22 CC1=CC(=CC(=C1N)C)Cl PI-30373 [1,1,0,0,0,0|2,0,0]=4 1098 B10R1.22 CC1=CC(=CC(=C1N)C)Cl PI-30732 [1,1,0,0,0,0|2,0,0]=4 1099 B10R1.22 CC1=CC(=CC(=C1N)C)I PI-32315 [1,1,0,0,0,0|2,0,0]=4 1100 B10R1.22 CC1=CC(=CC(=C1N)C)O PI-27461 [1,1,0,0,0,0|2,0,0]=4 1101 B10R1.22 CC1=CC(=CC(=C1N)Cl)Cl PI-30446 [1,1,0,0,0,0|2,0,0]=4 1102 B10R1.22 CC1=CC(=CC(=C1N)N)Br PI-19894 [1,1,0,0,0,0|2,0,0]=4 1103 B10R1.22 CC1=CC(=CC(=C1O)Br)F PI-42951 [1,1,0,0,0,0|1,0,0]=3 1104 B10R1.22 CC1=CC(=CC(=C1O)C)Cl PI-30067 [1,1,0,0,0,0|1,0,0]=3 1105 B10R1.22 CC1=CC(=CC(=C1O)C)I PI-21958 [1,1,0,0,0,0|1,0,0]=3 1106 B10R1.22 CC1=CC(=CC(=C1O)C)O PI-44190 [1,1,0,0,0,0|1,0,0]=3 1107 B10R1.22 CC1=CC(=[N+](C(=C1)C)[O-])C PI-42563 [1,1,0,0,0,0|1,0,1]=4 1108 B10R1.22 CC1=CC(Br)=C(Cl)C(Br)=C1 PI-46838 [1,1,0,0,0,0|2,0,0]=4 1109 B10R1.22 CC1=CC(N)=CC(C)=C1I PI-24054 [1,1,0,0,0,0|2,0,0]=4 1110 B10R1.22 Cc1cc(C)c(Br)c(C)c1 PI-36916 [1,1,0,0,0,0|1,0,0]=3 1111 B10R1.22 Cc1cc(C)c(N)c(C)c1 PI-34167 [1,1,0,0,0,0|1,0,0]=3 1112 B10R1.22 Cc1cc(C)c(c(c1)Br)O PI-38211 [1,1,0,0,0,0|0,0,0]=2 1113 B10R1.22 Cc1cc(O)c(C)c(O)c1 PI-19644 [1,1,0,0,0,0|1,0,0]=3 1114 B10R1.22 Clc1cc(C)c(c(c1)Cl)I PI-19228 [1,1,0,0,0,0|2,0,0]=4 1115 B10R1.22 Fc1cc(C)c(c(c1)F)F PI-19105 [1,1,0,0,0,0|2,0,0]=4 1116 B10R1.22 Nc1cc(Cl)c(O)c(Cl)c1 PI-11468 [1,1,0,0,0,0|2,0,0]=4 1117 B10R1.22 O=C1C=C(C)C(=O)C(=C1)C PI-29659 [1,1,0,0,0,0|1,0,1]=4 1118 B10R1.22 OC1=C(Cl)C=C(Br)C=C1F PI-20634 [1,1,0,0,0,0|2,0,0]=4 1119 B10R1.22 Oc1cc(C)c(c(c1)C)Br PI-21392 [1,1,0,0,0,0|2,0,0]=4 1120 B10R1.118 Brc1cc(Br)c(Br)cc1C PI-30476 [1,1,0,0,0,0|2,0,0]=4 1121 B10R1.118 Brc1cc(F)c(F)cc1C PI-19963 [1,1,0,0,0,0|2,0,0]=4 1122 B10R1.118 Brc1cc(F)c(F)cc1O PI-28194 [1,1,0,0,0,0|2,0,0]=4 1123 B10R1.118 C1=C(C(=CC(=C1F)Br)F)O PI-21644 [1,1,0,0,0,0|2,0,0]=4 1124 B10R1.118 C1=C(C(=CC(=C1F)F)F)O PI-34333 [1,1,0,0,0,0|2,0,0]=4 1125 B10R1.118 C1=C(C(=CC(=C1F)O)F)N PI-14079 [1,1,0,0,0,0|2,0,0]=4 1126 B10R1.118 C1=C(C(=CC(=C1N)O)O)N PI-10078 [1,1,0,0,0,0|2,0,0]=4 1127 B10R1.118 C1=C(C(=CC(=C1N)O)O)N PI-19166 [1,1,0,0,0,0|2,0,0]=4 1128 B10R1.118 C1=C(C(=CC(=C1O)Cl)Cl)N PI-13030 [1,1,0,0,0,0|2,0,0]=4 1129 B10R1.118 CC1=CC(=C(C=C1Br)C)Br PI-33682 [1,1,0,0,0,0|2,0,0]=4 1130 B10R1.118 CC1=CC(=C(C=C1Br)N)F PI-43271 [1,1,0,0,0,0|2,0,0]=4 1131 B10R1.118 CC1=CC(=C(C=C1C)N)N PI-30467 [1,1,0,0,0,0|2,0,0]=4 1132 B10R1.118 CC1=CC(=C(C=C1C)S)C PI-17211 [1,1,0,0,0,0|0,1,0]=3 1133 B10R1.118 CC1=CC(=C(C=C1Cl)C)S PI-17574 [1,1,0,0,0,0|1,1,0]=4 1134 B10R1.118 CC1=CC(=C(C=C1Cl)Cl)Cl PI-19822 [1,1,0,0,0,0|2,0,0]=4 1135 B10R1.118 CC1=CC(=C(C=C1Cl)N)N PI-19789 [1,1,0,0,0,0|2,0,0]=4 1136 B10R1.118 CC1=CC(=C(C=C1F)Cl)Br PI-20637 [1,1,0,0,0,0|2,0,0]=4 1137 B10R1.118 CC1=CC(=C(C=C1F)N)Br PI-21461 [1,1,0,0,0,0|2,0,0]=4 1138 B10R1.118 CC1=CC(=C(C=C1I)C)O PI-21957 [1,1,0,0,0,0|1,0,0]=3 1139 B10R1.118 CC1=CC(=C(C=C1O)C)N PI-27462 [1,1,0,0,0,0|1,0,0]=3 1140 B10R1.118 CC1=CC(=O)C(=CC1=O)Cl PI-19280 [1,1,0,0,0,0|1,0,1]=4 1141 B10R1.118 Cc1cc(Br)c(cc1C)Br PI-19362 [1,1,0,0,0,0|2,0,0]=4 1142 B10R1.118 Cc1cc(I)c(cc1I)C PI-19056 [1,1,0,0,0,0|2,0,0]=4 1143 B10R1.118 Clc1cc(Cl)c(cc1O)Cl PI-34305 [1,1,0,0,0,0|2,0,0]=4 1144 B10R1.118 Clc1cc(F)c(cc1O)Br PI-31708 [1,1,0,0,0,0|2,0,0]=4 1145 B10R1.118 Fc1cc(Br)c(cc1C)Cl PI-20636 [1,1,0,0,0,0|2,0,0]=4 1146 B10R1.118 Fc1cc(Cl)c(cc1C)N PI-28095 [1,1,0,0,0,0|2,0,0]=4 1147 B10R1.118 Nc1cc(F)c(Br)cc1C PI-21463 [1,1,0,0,0,0|2,0,0]=4 1148 B10R1.118 Oc1cc(Br)c(O)cc1Br PI-36804 [1,1,0,0,0,0|2,0,0]=4 1149 B10R1.118 Oc1cc(Cl)c(cc1Cl)O PI-33342 [1,1,0,0,0,0|2,0,0]=4 1150 B10R1.119 C1=CC(=C(C(=C1F)O)F)F PI-16880 [1,1,0,0,0,0|2,0,0]=4 1151 B10R1.119 C1=CC(=C(C(=C1N)F)Cl)O PI-46506 [1,1,0,0,0,0|2,0,0]=4 1152 B10R1.119 C1=CC(=C(C(=C1N)F)F)O PI-46505 [1,1,0,0,0,0|2,0,0]=4 1153 B10R1.119 C1=CC(=C(C(=C1O)Cl)N)Cl PI-11741 [1,1,0,0,0,0|2,0,0]=4 1154 B10R1.119 C1=CC(=C(C(=C1O)F)F)Br PI-34336 [1,1,0,0,0,0|2,0,0]=4 1155 B10R1.119 C1=CC(=C(C(=C1O)F)F)F PI-28343 [1,1,0,0,0,0|2,0,0]=4 1156 B10R1.119 C1=CC(=C(C(=C1O)F)F)I PI-34337 [1,1,0,0,0,0|2,0,0]=4 1157 B10R1.119 CC1=C(C(=C(C=C1)C)F)C PI-19379 [1,1,0,0,0,0|1,0,0]=3 1158 B10R1.119 CC1=C(C(=C(C=C1)Cl)Br)Cl PI-21604 [1,1,0,0,0,0|2,0,0]=4 1159 B10R1.119 CC1=C(C(=C(C=C1)Cl)C)N PI-30403 [1,1,0,0,0,0|1,0,0]=3 1160 B10R1.119 CC1=C(C(=C(C=C1)Cl)N)Cl PI-13570 [1,1,0,0,0,0|2,0,0]=4 1161 B10R1.119 CC1=C(C(=C(C=C1)N)Cl)O PI-16013 [1,1,0,0,0,0|2,0,0]=4 1162 B10R1.119 CC1=C(C(=C(C=C1)N)N)C PI-17413 [1,1,0,0,0,0|2,0,0]=4 1163 B10R1.119 CC1=C(C=CC(=C1C)F)N PI-19202 [1,1,0,0,0,0|2,0,0]=4 1164 B10R1.119 CC1=C(C=CC(=C1C)O)N PI-27460 [1,1,0,0,0,0|1,0,0]=3 1165 B10R1.119 CC1=C(C=CC(=C1Cl)Br)N PI-20643 [1,1,0,0,0,0|2,0,0]=4 1166 B10R1.119 CC1=C(C=CC(=C1Cl)Cl)Cl PI-34318 [1,1,0,0,0,0|2,0,0]=4 1167 B10R1.119 CC1=CC=C(Cl)C(Cl)=C1Cl PI-24595 [1,1,0,0,0,0|2,0,0]=4 1168 B10R1.119 Cc1ccc(F)c(F)c1F PI-33076 [1,1,0,0,0,0|2,0,0]=4 1169 B10R1.119 Cn1ccc(=O)c(c1C)O PI-11673 [1,1,0,0,0,0|1,0,1]=4 1170 B10R1.119 Fc1c(O)ccc(c1F)O PI-33023 [1,1,0,0,0,0|2,0,0]=4 1171 B10R1.119 Fc1ccc(c(c1C)F)Br PI-19325 [1,1,0,0,0,0|2,0,0]=4 1172 B10R1.119 Oc1ccc(O)c(C)c1C PI-10300 [1,1,0,0,0,0|1,0,0]=3 1173 B12R1.234 CC1=CC(=C(C(=O)N1)CN)OC PI-48350 [0,2,0,0,0,0|2,0,0]=4 1174 B12R1.235 CC1=CC(=C(C(=C1)C=O)O)C=O PI-20810 [0,2,0,0,0,0|2,0,0]=4 1175 B12R1.235 CCC1=CC(C)=CC(CC)=C1Br PI-42055 [0,2,0,0,0,0|2,0,0]=4 1176 B12R1.235 COC1=CC(=CC(=C1O)C=O)Br PI-27644 [0,2,0,0,0,0|1,0,0]=3 1177 B12R1.235 COC1=CC(=CC(=C1O)C=O)I PI-27877 [0,2,0,0,0,0|1,0,0]=3 1178 B12R1.235 COC1=CC(=O)C=C(C1=O)OC PI-29662 [0,2,0,0,0,0|1,0,1]=4 1179 B12R1.300 COC1=C(C(=CC(=C1)C=O)Br)O PI-18444 [0,2,0,0,0,0|0,0,1]=3 1180 B12R1.300 COC1=C(C(=CC(=C1)C=O)I)O PI-27693 [0,2,0,0,0,0|0,0,1]=3 1181 B12R1.300 COC1=CC(=C(C(=C1)Br)O)C=O PI-27643 [0,2,0,0,0,0|2,0,0]=4 1182 B12R1.300 COC1=CC(=CC(=C1O)O)C=O PI-18518 [0,2,0,0,0,0|0,0,1]=3 1183 B12R1.300 COc1cc(C=O)cc(Cl)c1O PI-27306 [0,2,0,0,0,0|0,0,1]=3 1184 B12R1.300 COc1cc(C=O)cc(F)c1O PI-27919 [0,2,0,0,0,0|0,0,1]=3 1185 B12R1.511 CC(=O)C1=C(C(=CC(=C1)Br)Br)O PI-30333 [0,2,0,0,0,0|2,0,0]=4 1186 B12R1.511 CC(=O)C1=C(C(=CC(=C1)Cl)Br)O PI-30753 [0,2,0,0,0,0|2,0,0]=4 1187 B12R1.511 CC(=O)C1=C(C(=CC(=C1)Cl)Cl)O PI-15408 [0,2,0,0,0,0|2,0,0]=4 1188 B12R1.511 CC(=O)C1=C(C(=CC(=C1)F)F)O PI-29133 [0,2,0,0,0,0|2,0,0]=4 1189 B12R1.511 CC1=CC(=C(C(=C1)Br)O)[N+](=O)[O-] PI-22156 [0,2,0,0,0,0|2,0,0]=4 1190 B12R1.511 CC1=CC(=C(C(=C1)I)O)[N+](=O)[O-] PI-29849 [0,2,0,0,0,0|2,0,0]=4 1191 B12R1.511 CC1=CC(=C(C(=C1)N)O)C(=O)C PI-15951 [0,2,0,0,0,0|1,0,0]=3 1192 B12R1.511 CC1=CC(=C(C(=C1)[N+](=O)[O-])O)C PI-27177 [0,2,0,0,0,0|2,0,0]=4 1193 B12R1.511 Cc1cc(C)c(c(c1)C(=O)C)O PI-23854 [0,2,0,0,0,0|1,0,0]=3 1194 B12R1.511 Cc1cc(C)c(c(c1)C(=O)C)O PI-38914 [0,2,0,0,0,0|1,0,0]=3 1195 B12R1.46 B(C1=C(C=CC(=C1)C)OC)(O)O PI-27127 [0,2,0,0,0,0|2,0,0]=4 1196 B12R1.46 CC(=O)C1=C(C=CC(=C1)Cl)OC PI-30816 [0,2,0,0,0,0|2,0,0]=4 1197 B12R1.46 CC(=O)C1=C(C=CC(=C1)F)OC PI-30626 [0,2,0,0,0,0|2,0,0]=4 1198 B12R1.46 CC1=CC(=C(C=C1)OC)C(=O)O PI-31512 [0,2,0,0,0,0|2,0,0]=4 1199 B12R1.46 CC1=CC(=C(C=C1)OC)[N+](=O)[O-] PI-26076 [0,2,0,0,0,0|2,0,0]=4 1200 B12R1.46 COc1ccc(Br)cc1C(=O)C PI-21551 [0,2,0,0,0,0|2,0,0]=4 1201 B12R1.57 B(C1=C(N=C(C=C1)C)OC)(O)O PI-33785 [0,2,0,0,0,0|1,0,0]=3 1202 B12R1.57 CC(=O)C1=C(C=C(C=C1)F)OC PI-27655 [0,2,0,0,0,0|1,0,1]=4 1203 B12R1.57 COC1=C(C=CC(=C1)O)[N+](=O)[O-] PI-43287 [0,2,0,0,0,0|1,0,1]=4 1204 B12R1.57 COc1cc(C)ccc1C(=O)O PI-36551 [0,2,0,0,0,0|0,0,0]=2 1205 B12R1.57 COc1cc(C)ccc1[N+](=O)[O-] PI-29537 [0,2,0,0,0,0|0,0,1]=3 1206 B12R1.57 COc1cc(Cl)ccc1B(O)O PI-25827 [0,2,0,0,0,0|1,0,0]=3 1207 B12R1.57 COc1cc(Cl)ccc1C(=O)O PI-28661 [0,2,0,0,0,0|1,0,0]=3 1208 B12R1.57 COc1cc(Cl)ccc1[N+](=O)[O-] PI-29835 [0,2,0,0,0,0|1,0,1]=4 1209 B12R1.57 COc1cc(F)ccc1B(O)O PI-25266 [0,2,0,0,0,0|1,0,0]=3 1210 B12R1.57 COc1cc(F)ccc1[N+](=O)[O-] PI-34510 [0,2,0,0,0,0|1,0,1]=4 1211 B12R1.78 C1=C(C(=CC=C1OC)OC)OC PI-15328 [0,2,0,0,0,0|0,0,0]=2 1212 B12R1.78 COC1=C(C=C(C=C1)C#N)OC PI-34357 [0,2,0,0,0,0|0,0,1]=3 1213 B12R1.78 COC1=C(C=C(C=C1)C=C)OC PI-46940 [0,2,0,0,0,0|0,0,1]=3 1214 B12R1.78 COC1=C(C=C(C=C1)CN)OC PI-21287 [0,2,0,0,0,0|0,0,0]=2 1215 B12R1.78 COC1=C(C=CC(=C1)C#N)C=O PI-26308 [0,2,0,0,0,0|0,0,2]=4 1216 B12R1.78 COC1=CC(=C(C=C1)C#N)OC PI-29583 [0,2,0,0,0,0|1,0,0]=3 1217 B12R1.78 COC1=CC(=C(C=C1)OC)CCl PI-23197 [0,2,0,0,0,0|2,0,0]=4 1218 B12R1.78 COc1cc(C#C)ccc1OC PI-30615 [0,2,0,0,0,0|0,0,1]=3 1219 B12R1.78 COc1cc(CCl)ccc1OC PI-32020 [0,2,0,0,0,0|0,0,0]=2 1220 B12R1.78 COc1cc(OC)ccc1C=O PI-10207 [0,2,0,0,0,0|0,0,1]=3 1221 B12R1.78 COc1cc(OC)ccc1CO PI-29889 [0,2,0,0,0,0|0,0,0]=2 1222 B12R1.78 COc1cc(SC)ccc1OC PI-23352 [0,2,0,0,0,0|0,0,0]=2 1223 B12R1.78 COc1cc([N+]#[C-])ccc1OC PI-23292 [0,2,0,0,0,0|0,0,1]=3 1224 B12R1.78 COc1ccc(OC)c([N+]#[C-])c1 PI-23291 [0,2,0,0,0,0|1,0,1]=4 1225 B12R1.268 COC1=C(C=C(C=C1)Br)CCN PI-21559 [0,2,0,0,0,0|2,0,0]=4 1226 B12R1.448 CC1=CC(=C(C=C1N)OC)OC PI-23246 [0,2,0,0,0,0|0,0,0]=2 1227 B12R1.448 COC1=C(C=C(C(=C1)N)N)OC PI-17531 [0,2,0,0,0,0|1,0,0]=3 1228 B12R1.448 COC1=C(C=C(C(=C1)N)N)OC PI-49018 [0,2,0,0,0,0|1,0,0]=3 1229 B12R1.448 COC1=CC(=C(C=C1C=O)F)F PI-26141 [0,2,0,0,0,0|1,0,1]=4 1230 B12R1.448 OCc1cc(C)c(cc1CO)C PI-19751 [0,2,0,0,0,0|2,0,0]=4 1231 B12R1.652 COc1ccn(=O)c(C)c1OC PI-12260 [0,2,0,0,0,0|2,0,0]=4 1232 B12R1.98 CC1=C[N+](=C(C(=C1OC)C)C)[O-] PI-42569 [0,2,0,0,0,0|2,0,0]=4 1233 B12R1.654 CC1=CN=C(C(=C1OC)C)CCl PI-11825 [0,2,0,0,0,0|2,0,0]=4 1234 B12R1.654 CC1=CN=C(C(=C1OC)C)CCl PI-16750 [0,2,0,0,0,0|2,0,0]=4 1235 B12R1.654 CC1=CN=C(C(=C1OC)C)CO PI-16168 [0,2,0,0,0,0|2,0,0]=4 1236 B12R1.654 COC1=C(C=CC(=C1F)C#N)F PI-10695 [0,2,0,0,0,0|1,0,1]=4 1237 B12R1.741 COC1=C(OC)C(=O)C=CC1=O PI-23193 [0,2,0,0,0,0|1,0,1]=4 1238 B12R1.894 CC(C1=C(F)C=CC(C)=C1Cl)=O PI-40481 [0,2,0,0,0,0|2,0,0]=4 1239 B12R1.894 CC1=C(C(=C(C=C1)C)C(=O)C)C PI-29682 [0,2,0,0,0,0|2,0,0]=4 1240 B12R1.128 Oc1ccc(c(c1)C(C)(C)C)O PI-31762 [0,2,0,0,0,0|2,0,0]=4 1241 B12R1.232 CC(=O)C1=CC(=C(C=C1O)O)O PI-44126 [0,2,0,0,0,0|2,0,0]=4 1242 B12R1.232 CC1=CC(=C(C=C1C)O)C(=O)C PI-23855 [0,2,0,0,0,0|1,0,0]=3 1243 B12R1.232 CC1=CC(=C(C=C1Cl)C(=O)C)O PI-30428 [0,2,0,0,0,0|2,0,0]=4 1244 B12R1.232 CC1=CC(=C(C=C1N)C(C)C)O PI-19061 [0,2,0,0,0,0|2,0,0]=4 1245 B12R1.354 C1=CC(=C(C=C1F)C(=O)CBr)O PI-21450 [0,2,0,0,0,0|2,0,0]=4 1246 B12R1.354 C1=CC(=C(C=C1O)C(=O)CBr)O PI-31569 [0,2,0,0,0,0|2,0,0]=4 1247 B12R1.354 CC1=C(C=C(C=C1)F)C(=O)OC PI-35260 [0,2,0,0,0,0|2,0,0]=4 1248 B12R1.354 CC1=CC(=C(C=C1)O)C(=O)OC PI-28293 [0,2,0,0,0,0|0,0,0]=2 1249 B12R1.354 CCC(=O)C1=C(C=CC(=C1)Cl)O PI-17699 [0,2,0,0,0,0|2,0,0]=4 1250 B12R1.354 CCC(=O)c1cc(Br)ccc1O PI-21516 [0,2,0,0,0,0|2,0,0]=4 1251 B12R1.354 CCC(=O)c1cc(C)ccc1O PI-20819 [0,2,0,0,0,0|1,0,0]=3 1252 B12R1.354 CCC(=O)c1cc(O)ccc1O PI-17243 [0,2,0,0,0,0|2,0,0]=4 1253 B12R1.354 COC(=O)C1=C(C=CC(=C1)Br)I PI-40379 [0,2,0,0,0,0|2,0,0]=4 1254 B12R1.354 COC(=O)C1=C(C=CC(=C1)Br)O PI-50603 [0,2,0,0,0,0|1,0,0]=3 1255 B12R1.354 COC(=O)C1=C(C=CC(=C1)Cl)Cl PI-50468 [0,2,0,0,0,0|2,0,0]=4 1256 B12R1.354 COC(=O)C1=C(C=CC(=C1)Cl)N PI-18615 [0,2,0,0,0,0|2,0,0]=4 1257 B12R1.354 COC(=O)C1=C(C=CC(=C1)Cl)O PI-18529 [0,2,0,0,0,0|1,0,0]=3 1258 B12R1.354 COC(=O)C1=C(C=CC(=C1)F)N PI-21369 [0,2,0,0,0,0|2,0,0]=4 1259 B12R1.354 COC(=O)C1=C(C=CC(=C1)O)N PI-50229 [0,2,0,0,0,0|2,0,0]=4 1260 B12R1.354 COC(=O)C1=C(C=CC(=C1)O)O PI-13745 [0,2,0,0,0,0|1,0,0]=3 1261 B12R1.354 COC(=O)c1cc(Br)ccc1N PI-10941 [0,2,0,0,0,0|2,0,0]=4 1262 B12R1.354 COC(=O)c1cc(Cl)ccc1Br PI-34137 [0,2,0,0,0,0|2,0,0]=4 1263 B12R1.354 Cc1ccc(N)cc1C(=O)OC PI-32080 [0,2,0,0,0,0|2,0,0]=4 1264 B12R1.354 OC1=CC=C(Br)C=C1C(CBr)=O PI-20573 [0,2,0,0,0,0|2,0,0]=4 1265 B12R1.354 Oc1ccc(Cl)cc1C(=O)CBr PI-20638 [0,2,0,0,0,0|2,0,0]=4 1266 B12R1.453 C1=CC(=C(C=C1CO)[N+](=O)[O-])O PI-20830 [0,2,0,0,0,0|2,0,0]=4 1267 B12R1.453 CC(=O)C1=C(C=CC(=C1)C#N)O PI-35466 [0,2,0,0,0,0|1,0,1]=4 1268 B12R1.453 CCC1=CC(=C(C=C1)O)C(=O)C PI-29391 [0,2,0,0,0,0|1,0,0]=3 1269 B12R1.453 COC1=CC(=C(C=C1)O)[N+](=O)[O-] PI-29161 [0,2,0,0,0,0|2,0,0]=4 1270 B12R1.453 COc1ccc(c(c1)C(=O)C)O PI-29865 [0,2,0,0,0,0|1,0,0]=3 1271 B12R1.127 CC(=O)Nc1cc(Cl)ccc1O PI-35020 [0,2,0,0,0,0|2,0,0]=4 1272 B12R1.127 CC1=CC(=C(C=C1)O)NC(=O)C PI-27815 [0,2,0,0,0,0|1,0,0]=3 1273 B12R1.127 NC1=CC=C(F)C=C1OC(C)C PI-40835 [0,2,0,0,0,0|2,0,0]=4 1274 B12R1.374 Cc1ccc(C)cc1SCCO PI-23964 [0,2,0,0,0,0|1,1,0]=4 1275 B12R1.449 COC1=C(C=C(C(=C1)C=O)Br)O PI-27776 [0,2,0,0,0,0|0,0,1]=3 1276 B12R1.449 COC1=C(C=C(C(=C1)C=O)F)Cl PI-48251 [0,2,0,0,0,0|1,0,1]=4 1277 B12R1.449 COC1=CC(=C(C=C1N)Cl)OC PI-11752 [0,2,0,0,0,0|1,0,0]=3 1278 B12R1.450 CC1=CC(=C(C=C1OC)Br)OC PI-35453 [0,2,0,0,0,0|1,0,0]=3 1279 B12R1.450 CC1=CC(=C(C=C1OC)I)OC PI-21290 [0,2,0,0,0,0|1,0,0]=3 1280 B12R1.450 COC1=C(I)C=C(OC)C(I)=C1 PI-42605 [0,2,0,0,0,0|2,0,0]=4 1281 B12R1.450 COC1=CC(=C(C=C1N)OC)Cl PI-33490 [0,2,0,0,0,0|2,0,0]=4 1282 B12R1.450 COC1=CC(=O)C(=CC1=O)OC PI-47100 [0,2,0,0,0,0|1,0,1]=4 1283 B12R1.450 COc1cc(Br)c(OC)cc1Br PI-20966 [0,2,0,0,0,0|2,0,0]=4 1284 B12R1.450 COc1cc(Br)c(cc1O)C=O PI-28353 [0,2,0,0,0,0|1,0,0]=3 1285 B12R1.450 COc1cc(C)c(C=O)cc1C PI-27837 [0,2,0,0,0,0|1,0,0]=3 1286 B12R1.56 B(C1=CC(=C(C=C1)C)OC)(O)O PI-49932 [0,2,0,0,0,0|2,0,0]=4 1287 B12R1.56 B(C1=CC(=C(C=C1)Cl)OC)(O)O PI-49926 [0,2,0,0,0,0|2,0,0]=4 1288 B12R1.56 B(C1=CC(=C(C=C1)F)OC)(O)O PI-49958 [0,2,0,0,0,0|2,0,0]=4 1289 B12R1.56 CC(=O)C1=CC(=C(C=C1)F)OC PI-30823 [0,2,0,0,0,0|1,0,0]=3 1290 B12R1.56 CC(=O)C1=CC(=C(C=C1)O)CCl PI-16156 [0,2,0,0,0,0|2,0,0]=4 1291 B12R1.56 CC1=C(C=C(C=C1)[N+](=O)[O-])OC PI-12157 [0,2,0,0,0,0|2,0,0]=4 1292 B12R1.56 COC1=C(C=CC(=C1)C(=O)O)F PI-34251 [0,2,0,0,0,0|1,0,1]=4 1293 B12R1.56 COC1=C(C=CC(=C1)[N+](=O)[O-])Cl PI-20188 [0,2,0,0,0,0|2,0,0]=4 1294 B12R1.56 COC1=C(C=CC(=C1)[N+](=O)[O-])F PI-34250 [0,2,0,0,0,0|2,0,0]=4 1295 B12R1.56 COC1=C(C=CC(=C1)[N+](=O)[O-])I PI-29688 [0,2,0,0,0,0|2,0,0]=4 1296 B12R1.56 COC1=C(C=CC(=C1)[N+](=O)[O-])O PI-27481 [0,2,0,0,0,0|1,0,0]=3 1297 B12R1.56 COc1cc(ccc1Br)C(=O)O PI-35857 [0,2,0,0,0,0|1,0,1]=4 1298 B12R1.56 COc1cc(ccc1Br)[N+](=O)[O-] PI-29916 [0,2,0,0,0,0|2,0,0]=4 1299 B12R1.56 COc1cc(ccc1Cl)C(=O)O PI-27953 [0,2,0,0,0,0|1,0,1]=4 1300 B12R1.56 COc1cc(ccc1F)B(O)O PI-25597 [0,2,0,0,0,0|2,0,0]=4 1301 B12R1.56 COc1cc(ccc1N)C(=O)O PI-30375 [0,2,0,0,0,0|1,0,1]=4 1302 B12R1.56 COc1cc(ccc1N)[N+](=O)[O-] PI-32439 [0,2,0,0,0,0|2,0,0]=4 1303 B12R1.56 COc1cc(ccc1O)C(=O)O PI-31895 [0,2,0,0,0,0|0,0,1]=3 1304 B12R1.56 O=C(C1=CC=C(O)C(OC)=C1)C PI-46830 [0,2,0,0,0,0|0,0,0]=2 1305 B12R1.56 O=C(O)C1=CC=C(C)C(OC)=C1 PI-10102 [0,2,0,0,0,0|1,0,1]=4 1306 B12R1.286 CC1=C(C=C(C=C1)CC#N)OC PI-35269 [0,2,0,0,0,0|1,0,0]=3 1307 B12R1.286 COC1=C(C=CC(=C1)C=NO)O PI-27429 [0,2,0,0,0,0|0,0,1]=3 1308 B12R1.286 COC1=C(C=CC(=C1)CCN)Br PI-48277 [0,2,0,0,0,0|1,0,0]=3 1309 B12R1.286 COC1=C(C=CC(=C1)CCN)O PI-20794 [0,2,0,0,0,0|0,0,0]=2 1310 B12R1.286 OCCc1ccc(c(c1)OC)O PI-27378 [0,2,0,0,0,0|0,0,0]=2 1311 B10R1.14 CC1=CC=C(O1)C(=O)OC PI-19366 [0,0,1,1,0,0|1,0,0]=3 1312 B10R1.14 CCC(=O)C1=CC=C(O1)C PI-17359 [0,0,1,1,0,0|2,0,0]=4 1313 B10R1.14 COC(=O)C1=CC=C(O1)Br PI-30379 [0,0,1,1,0,0|2,0,0]=4 1314 B10R1.14 COC(=O)c1ccc([nH]1)C PI-39271 [0,0,1,1,0,0|2,0,0]=4 1315 B10R2.31 BrC1=CC2=C(CC2)C=C1 PI-37003 [1,0,0,1,0,0|2,0,0]=4 1316 B10R2.31 NC1=CC=C2CCC2=C1 PI-40931 [1,0,0,1,0,0|2,0,0]=4 1317 B10R2.31 OC1=CC=C2CCC2=C1 PI-42598 [1,0,0,1,0,0|2,0,0]=4 1318 B10R2.7 C1=CC=C2C(=C1)N=CO2 PI-47002 [1,0,0,1,0,0|1,0,1]=4 1319 B10R2.7 C1CNC2=CC=CC=C21 PI-44710 [1,0,0,1,0,0|2,0,0]=4 1320 B10R2.7 C1COC2=CC=CC=C21 PI-21250 [1,0,0,1,0,0|1,0,0]=3 1321 B10R2.7 [B]1OC2=CC=CC=C2O1 PI-50000 [1,0,0,1,0,0|1,0,0]=3 1322 B12R2.246 C1COC2=C1C=C(C=C2F)F PI-21162 [0,1,0,1,0,0|2,0,0]=4 1323 B12R2.24 Brc1ccc2COCCc2c1 PI-36578 [0,1,0,1,0,0|2,0,0]=4 1324 B12R2.24 C1COC2=C(N1)C=C(C=C2)O PI-49017 [0,1,0,1,0,0|2,0,0]=4 1325 B12R2.24 C1COC2=C(O1)C=CC(=C2)Br PI-28606 [0,1,0,1,0,0|1,0,0]=3 1326 B12R2.24 CC1=CC2=C(C=C1)NCCC2 PI-29971 [0,1,0,1,0,0|2,0,0]=4 1327 B12R2.24 Cc1ccc2c(c1)CNCC2 PI-39238 [0,1,0,1,0,0|2,0,0]=4 1328 B12R2.24 Nc1ccc2c(c1)OCCO2 PI-33749 [0,1,0,1,0,0|1,0,0]=3 1329 B12R2.132 Brc1ccc2OCC(=O)c2c1 PI-36911 [0,1,0,1,0,0|2,0,0]=4 1330 B12R2.132 CC1=COC2=C1C=C(C=C2)O PI-44179 [0,1,0,1,0,0|2,0,0]=4 1331 B12R2.612 C1C(=O)C2=C(O1)C=C(C=C2)O PI-17763 [0,1,0,1,0,0|1,0,1]=4 1332 B12R2.612 C1C(C2=C(O1)C=C(C=C2)Br)N PI-48312 [0,1,0,1,0,0|2,0,0]=4 1333 B12R2.612 O=C1CCC2=C1C=CC(C)=C2 PI-40563 [0,1,0,1,0,0|1,0,1]=4 1334 B12R2.606 CC1=CC2=C(C=C1)N=C(N2)C PI-45227 [0,1,0,1,0,0|2,0,0]=4 1335 B12R2.606 CC1=CC2=C(C=C1)N=C(S2)C PI-45362 [0,1,0,1,0,0|1,1,0]=4 1336 B12R2.606 CC1=CC2=C(C=C1)NC(=C2)C PI-23861 [0,1,0,1,0,0|2,0,0]=4 1337 B12R2.606 CC1=CC2=C(C=C1)OC(=N2)C PI-28651 [0,1,0,1,0,0|1,0,0]=3 1338 B12R2.606 CC1=NC2=C(O1)C=CC(=C2)Cl PI-13544 [0,1,0,1,0,0|2,0,0]=4 1339 B12R2.606 CC1=NC2=C(O1)C=CC(=C2)O PI-34999 [0,1,0,1,0,0|2,0,0]=4 1340 B12R2.606 Nc1ccc2c(c1)oc(n2)C PI-37803 [0,1,0,1,0,0|2,0,0]=4 1341 B12R2.44 C#Cc1ccc2c(c1)OCO2 PI-38731 [0,1,0,1,0,0|0,0,1]=3 1342 B12R2.44 C1=CC2=C(C=CO2)C=C1CO PI-19435 [0,1,0,1,0,0|1,0,1]=4 1343 B12R2.44 C1COC2=C1C=C(C=C2)C=O PI-21253 [0,1,0,1,0,0|1,0,1]=4 1344 B12R2.44 C1COC2=C1C=C(C=C2)CN PI-17657 [0,1,0,1,0,0|1,0,0]=3 1345 B12R2.44 C1COC2=C1C=C(C=C2)CO PI-19102 [0,1,0,1,0,0|1,0,0]=3 1346 B12R2.44 C1OC2=C(O1)C=C(C=C2)CCl PI-32417 [0,1,0,1,0,0|0,0,0]=2 1347 B12R2.44 C=CC1=CC2=C(C=C1)OCO2 PI-49743 [0,1,0,1,0,0|0,0,1]=3 1348 B12R2.44 COC1=CC2=C(C=C1)NCC2 PI-36188 [0,1,0,1,0,0|2,0,0]=4 1349 B12R2.44 COc1ccc2c(c1)cco2 PI-17717 [0,1,0,1,0,0|1,0,1]=4 1350 B12R2.44 N#Cc1ccc2c(c1)OCO2 PI-12788 [0,1,0,1,0,0|0,0,1]=3 1351 B12R2.44 OCc1ccc2OCOc2c1 PI-32416 [0,1,0,1,0,0|0,0,0]=2 1352 B8R1.11 CC1=C(C=CO1)SC PI-14230 [1,0,0,0,1,0|1,1,0]=4 1353 B8R1.11 COC1=C(SC=C1)Br PI-39262 [1,0,0,0,1,0|2,0,0]=4 1354 B8R1.18 CC1=CC(=C(O1)C)S PI-48469 [1,0,0,0,1,0|1,1,0]=4 1355 B8R1.18 CC1=CC(=C(S1)C)C PI-29262 [1,0,0,0,1,0|2,0,0]=4