0 B10R1.3 BrCc1ccc(cc1)CBr PI-32199 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.3 C1=CC(=CC=C1C#N)NN PI-29432 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.3 C1=CC(=CC=C1C=O)C#N PI-31014 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.3 C1=CC(=CC=C1CBr)C#N PI-31089 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.3 C1=CC(=CC=C1CBr)C=O PI-26695 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.3 C1=CC(=CC=C1CCl)C#N PI-31324 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.3 C1=CC(=CC=C1CCl)C=O PI-46952 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.3 C1=CC(=CC=C1CN)CN PI-19696 [0,0,0,0,0,0|4,0,0]=4 8 B10R1.3 C1=CC(=CC=C1CO)C=O PI-48330 [0,0,0,0,0,0|4,0,0]=4 9 B10R1.3 C1=CC(=CC=C1CS)CS PI-17107 [0,0,0,0,0,0|4,0,0]=4 10 B10R1.3 CCC1=CC=C(C=C1)C#C PI-30582 [0,0,0,0,0,0|2,0,1]=3 11 B10R1.3 CCC1=CC=C(C=C1)NN PI-50515 [0,0,0,0,0,0|3,0,0]=3 12 B10R1.3 CCC1=CN=C(C=N1)CC PI-11051 [0,0,0,0,0,0|4,0,0]=4 13 B10R1.3 CCc1ccc(C=O)cc1 PI-36758 [0,0,0,0,0,0|3,0,0]=3 14 B10R1.3 CNC1=CC=C(C=C1)C#N PI-35883 [0,0,0,0,0,0|3,0,0]=3 15 B10R1.3 COC1=CC=C(C=C1)C#N PI-11998 [0,0,0,0,0,0|2,0,0]=2 16 B10R1.3 COC1=CC=C(C=C1)CS PI-45776 [0,0,0,0,0,0|2,0,0]=2 17 B10R1.3 COC1=CC=C(CC)C=C1 PI-12098 [0,0,0,0,0,0|1,0,0]=1 18 B10R1.3 COC1=NC=C(C=C1)C=O PI-10317 [0,0,0,0,0,0|3,0,0]=3 19 B10R1.3 COc1ccc(cc1)C#C PI-30919 [0,0,0,0,0,0|1,0,1]=2 20 B10R1.3 COc1ccc(cc1)C=C PI-34180 [0,0,0,0,0,0|1,0,1]=2 21 B10R1.3 COc1ccc(cc1)SC PI-12000 [0,0,0,0,0,0|0,1,0]=1 22 B10R1.3 COc1ccc(nc1)C=O PI-39039 [0,0,0,0,0,0|3,0,0]=3 23 B10R1.3 CSC1=CC=C(C=C1)CO PI-30503 [0,0,0,0,0,0|2,1,0]=3 24 B10R1.3 CSC1=CC=C(C=C1)NN PI-29509 [0,0,0,0,0,0|2,1,0]=3 25 B10R1.3 CSc1ccc(cc1)C=O PI-27503 [0,0,0,0,0,0|2,1,0]=3 26 B10R1.3 ClCc1ccc(OC)cc1 PI-11999 [0,0,0,0,0,0|2,0,0]=2 27 B10R1.3 NCc1ccc(OC)cc1 PI-10970 [0,0,0,0,0,0|2,0,0]=2 28 B10R1.3 NCc1ccc(cc1)C#N PI-24033 [0,0,0,0,0,0|4,0,0]=4 29 B10R1.3 NNc1ccc(cc1)OC PI-25299 [0,0,0,0,0,0|2,0,0]=2 30 B10R1.3 NNc1ccc(nc1)OC PI-39209 [0,0,0,0,0,0|3,0,0]=3 31 B10R1.3 O=Cc1ccc(C#C)cc1 PI-26824 [0,0,0,0,0,0|3,0,1]=4 32 B10R1.3 O=Cc1ccc(cc1)C=O PI-38472 [0,0,0,0,0,0|4,0,0]=4 33 B10R1.3 OCc1ccc(CBr)cc1 PI-22138 [0,0,0,0,0,0|4,0,0]=4 34 B10R1.3 OCc1ccc(cc1)CO PI-30750 [0,0,0,0,0,0|4,0,0]=4 35 B10R1.3 ON=C1C=CC(=NO)C=C1 PI-16493 [0,0,0,0,0,0|4,0,0]=4 36 B9R1.1 BrC1=NC=C(N=C1)OC PI-35953 [1,0,0,0,0,0|3,0,0]=4 37 B9R1.1 BrCc1ccc(Br)cc1 PI-11967 [1,0,0,0,0,0|3,0,0]=4 38 B9R1.1 BrCc1ccc(Cl)cc1 PI-15674 [1,0,0,0,0,0|3,0,0]=4 39 B9R1.1 BrCc1ccc(I)cc1 PI-16508 [1,0,0,0,0,0|3,0,0]=4 40 B9R1.1 Brc1ccc(cc1)[N+]#N PI-10983 [1,0,0,0,0,0|3,0,0]=4 41 B9R1.1 C#CC1=CC=C(C=C1)Br PI-30915 [1,0,0,0,0,0|2,0,1]=4 42 B9R1.1 C#Cc1ccc(F)cc1 PI-30917 [1,0,0,0,0,0|2,0,1]=4 43 B9R1.1 C1=CC(=CC=C1C#N)I PI-31146 [1,0,0,0,0,0|3,0,0]=4 44 B9R1.1 C1=CC(=CC=C1C#N)N PI-10997 [1,0,0,0,0,0|3,0,0]=4 45 B9R1.1 C1=CC(=CC=C1C=O)Cl PI-34386 [1,0,0,0,0,0|3,0,0]=4 46 B9R1.1 C1=CC(=CC=C1C=O)F PI-33068 [1,0,0,0,0,0|3,0,0]=4 47 B9R1.1 C1=CC(=CC=C1CBr)F PI-12706 [1,0,0,0,0,0|3,0,0]=4 48 B9R1.1 C1=CC(=CC=C1CCl)Br PI-20545 [1,0,0,0,0,0|3,0,0]=4 49 B9R1.1 C1=CC(=CC=C1CN)Cl PI-11469 [1,0,0,0,0,0|3,0,0]=4 50 B9R1.1 C1=CC(=CC=C1CN)I PI-33700 [1,0,0,0,0,0|3,0,0]=4 51 B9R1.1 C1=CC(=CC=C1CN)O PI-20736 [1,0,0,0,0,0|2,0,0]=3 52 B9R1.1 C1=CC(=CC=C1CO)F PI-16874 [1,0,0,0,0,0|3,0,0]=4 53 B9R1.1 C1=CC(=CC=C1CO)N PI-11961 [1,0,0,0,0,0|3,0,0]=4 54 B9R1.1 C1=CC(=CC=C1CS)F PI-23496 [1,0,0,0,0,0|3,0,0]=4 55 B9R1.1 C1=CC(=CC=C1NN)Br PI-14502 [1,0,0,0,0,0|3,0,0]=4 56 B9R1.1 C1=CC(=CC=C1NN)Br PI-50387 [1,0,0,0,0,0|3,0,0]=4 57 B9R1.1 C1=CC(=CC=C1NN)Br PI-50485 [1,0,0,0,0,0|3,0,0]=4 58 B9R1.1 C1=CC(=CC=C1NN)Cl PI-16438 [1,0,0,0,0,0|3,0,0]=4 59 B9R1.1 C1=CC(=CC=C1NN)Cl PI-50281 [1,0,0,0,0,0|3,0,0]=4 60 B9R1.1 C1=CC(=CC=C1NN)F PI-31312 [1,0,0,0,0,0|3,0,0]=4 61 B9R1.1 C1=CC(=CC=C1NN)I PI-29108 [1,0,0,0,0,0|3,0,0]=4 62 B9R1.1 C1=CC(=NC=C1O)C=O PI-40986 [1,0,0,0,0,0|3,0,0]=4 63 B9R1.1 C=Cc1ccc(cc1)Br PI-22599 [1,0,0,0,0,0|2,0,1]=4 64 B9R1.1 C=Cc1ccc(cc1)Cl PI-38314 [1,0,0,0,0,0|2,0,1]=4 65 B9R1.1 C=Cc1ccc(cc1)N PI-17562 [1,0,0,0,0,0|2,0,1]=4 66 B9R1.1 C=Cc1ccc(nc1)C PI-38680 [1,0,0,0,0,0|2,0,1]=4 67 B9R1.1 CC1=CC=C(C=C1)C#C PI-30916 [1,0,0,0,0,0|1,0,1]=3 68 B9R1.1 CC1=CC=C(C=C1)CBr PI-38678 [1,0,0,0,0,0|2,0,0]=3 69 B9R1.1 CC1=CN=C(C=C1)C#N PI-38220 [1,0,0,0,0,0|3,0,0]=4 70 B9R1.1 CC1=NC=C(C=C1)C=O PI-48154 [1,0,0,0,0,0|3,0,0]=4 71 B9R1.1 CCC1=CC=C(C=C1)Br PI-16231 [1,0,0,0,0,0|2,0,0]=3 72 B9R1.1 CCC1=CC=C(C=C1)Cl PI-19776 [1,0,0,0,0,0|2,0,0]=3 73 B9R1.1 CCC1=CC=C(C=C1)F PI-22092 [1,0,0,0,0,0|2,0,0]=3 74 B9R1.1 CCC1=CC=C(C=C1)S PI-13700 [1,0,0,0,0,0|1,1,0]=3 75 B9R1.1 CCc1ccc(C)cc1 PI-36542 [1,0,0,0,0,0|1,0,0]=2 76 B9R1.1 CNC1=CC=C(C=C1)Cl PI-34211 [1,0,0,0,0,0|2,0,0]=3 77 B9R1.1 CNC1=CC=C(C=C1)N PI-10555 [1,0,0,0,0,0|2,0,0]=3 78 B9R1.1 CNC1=CN=C(C=C1)Cl PI-45925 [1,0,0,0,0,0|3,0,0]=4 79 B9R1.1 CNC1=NC=C(Br)C=C1 PI-46679 [1,0,0,0,0,0|3,0,0]=4 80 B9R1.1 CNc1ccc(cc1)Br PI-21585 [1,0,0,0,0,0|2,0,0]=3 81 B9R1.1 COC1=CC=C(C=C1)F PI-12219 [1,0,0,0,0,0|1,0,0]=2 82 B9R1.1 COC1=CC=C(C=C1)S PI-21363 [1,0,0,0,0,0|0,1,0]=2 83 B9R1.1 COC1=CN=C(C=C1)Br PI-45881 [1,0,0,0,0,0|2,0,0]=3 84 B9R1.1 COC1=CN=C(N=C1)Br PI-45086 [1,0,0,0,0,0|3,0,0]=4 85 B9R1.1 COC1=CN=C(N=C1)Cl PI-45011 [1,0,0,0,0,0|3,0,0]=4 86 B9R1.1 COC1=NC=C(C=C1)F PI-16766 [1,0,0,0,0,0|2,0,0]=3 87 B9R1.1 COC1=NC=C(C=N1)Br PI-31943 [1,0,0,0,0,0|3,0,0]=4 88 B9R1.1 COC1=NC=C(C=N1)I PI-45092 [1,0,0,0,0,0|3,0,0]=4 89 B9R1.1 COC1=NN=C(C=C1)Cl PI-30210 [1,0,0,0,0,0|3,0,0]=4 90 B9R1.1 COc1cc[n+]([O-])cc1 PI-26063 [1,0,0,0,0,0|1,0,1]=3 91 B9R1.1 COc1ccc(Cl)cc1 PI-34198 [1,0,0,0,0,0|1,0,0]=2 92 B9R1.1 COc1ccc(N)cn1 PI-16695 [1,0,0,0,0,0|2,0,0]=3 93 B9R1.1 COc1ccc(O)cn1 PI-26700 [1,0,0,0,0,0|1,0,0]=2 94 B9R1.1 COc1ccc(cc1)Br PI-34196 [1,0,0,0,0,0|1,0,0]=2 95 B9R1.1 COc1ccc(cc1)I PI-33808 [1,0,0,0,0,0|1,0,0]=2 96 B9R1.1 COc1ccc(cc1)O PI-31355 [1,0,0,0,0,0|0,0,0]=1 97 B9R1.1 COc1ccc(cn1)Br PI-22840 [1,0,0,0,0,0|2,0,0]=3 98 B9R1.1 CSC1=CC=C(C=C1)F PI-11986 [1,0,0,0,0,0|1,1,0]=3 99 B9R1.1 CSc1ccc(cc1)O PI-18075 [1,0,0,0,0,0|0,1,0]=2 100 B9R1.1 ClCc1ccc(F)cc1 PI-31364 [1,0,0,0,0,0|3,0,0]=4 101 B9R1.1 N#Cc1ccc(Br)cc1 PI-11462 [1,0,0,0,0,0|3,0,0]=4 102 B9R1.1 N#Cc1ccc(Cl)cc1 PI-11470 [1,0,0,0,0,0|3,0,0]=4 103 B9R1.1 N#Cc1ccc(cc1)F PI-16865 [1,0,0,0,0,0|3,0,0]=4 104 B9R1.1 N#Cc1ccc(cc1)O PI-35246 [1,0,0,0,0,0|2,0,0]=3 105 B9R1.1 NC1=CC=C(SC)C=C1 PI-11963 [1,0,0,0,0,0|1,1,0]=3 106 B9R1.1 NCc1ccc(F)cc1 PI-11985 [1,0,0,0,0,0|3,0,0]=4 107 B9R1.1 NCc1ccc(cc1)Br PI-20544 [1,0,0,0,0,0|3,0,0]=4 108 B9R1.1 NCc1ccc(cc1)Br PI-38542 [1,0,0,0,0,0|3,0,0]=4 109 B9R1.1 NNc1ccc(C)cc1 PI-13126 [1,0,0,0,0,0|2,0,0]=3 110 B9R1.1 O=Cc1ccc(Br)cc1 PI-12729 [1,0,0,0,0,0|3,0,0]=4 111 B9R1.1 O=Cc1ccc(cc1)I PI-27209 [1,0,0,0,0,0|3,0,0]=4 112 B9R1.1 O=Cc1ccc(cc1)O PI-37802 [1,0,0,0,0,0|2,0,0]=3 113 B9R1.1 OCc1ccc(S)cc1 PI-35674 [1,0,0,0,0,0|2,1,0]=4 114 B9R1.1 OCc1ccc(cc1)Cl PI-11977 [1,0,0,0,0,0|3,0,0]=4 115 B9R1.1 OCc1ccc(cc1)I PI-33685 [1,0,0,0,0,0|3,0,0]=4 116 B9R1.1 OCc1ccc(cc1)O PI-29788 [1,0,0,0,0,0|2,0,0]=3 117 B9R1.1 [C-]#[N+]C1=CC=C(C=C1)Br PI-22497 [1,0,0,0,0,0|2,0,1]=4 118 B11R1.3 B(C1=CC=C(C=C1)SC)(O)O PI-23605 [0,1,0,0,0,0|2,1,0]=4 119 B11R1.3 B(C1=CN=C(C=C1)OC)(O)O PI-25496 [0,1,0,0,0,0|3,0,0]=4 120 B11R1.3 C#Cc1ccc(cc1)N(C)C PI-30225 [0,1,0,0,0,0|2,0,1]=4 121 B11R1.3 CC(=O)C1=CC=C(C=C1)C#N PI-16159 [0,1,0,0,0,0|3,0,0]=4 122 B11R1.3 CC(=O)C1=CC=C(C=C1)C=O PI-27504 [0,1,0,0,0,0|3,0,0]=4 123 B11R1.3 CC(C)C1=CC=C(C=C1)C#C PI-30350 [0,1,0,0,0,0|2,0,1]=4 124 B11R1.3 CC(C)C1=CC=C(C=C1)CN PI-19626 [0,1,0,0,0,0|3,0,0]=4 125 B11R1.3 CC(C1=CC=C(C=C1)OC)N PI-32643 [0,1,0,0,0,0|1,0,0]=2 126 B11R1.3 CC(C1=CC=C(SC)C=C1)=O PI-16796 [0,1,0,0,0,0|1,1,0]=3 127 B11R1.3 CC(O)C1=CC=C(OC)C=C1 PI-32585 [0,1,0,0,0,0|1,0,0]=2 128 B11R1.3 CCC1=CC=C(C=C1)C(=O)C PI-12886 [0,1,0,0,0,0|2,0,0]=3 129 B11R1.3 CCC1=CC=C(C=C1)C(=O)Cl PI-12125 [0,1,0,0,0,0|3,0,0]=4 130 B11R1.3 CCC1=CC=C(C=C1)C(=O)N PI-30492 [0,1,0,0,0,0|3,0,0]=4 131 B11R1.3 CCc1ccc(cc1)B(O)O PI-28704 [0,1,0,0,0,0|3,0,0]=4 132 B11R1.3 CN(C)C1=CC=C(C=C1)CN PI-23374 [0,1,0,0,0,0|3,0,0]=4 133 B11R1.3 CN(C)C1=CC=C(C=C1)CN PI-35653 [0,1,0,0,0,0|3,0,0]=4 134 B11R1.3 CN(C)C1=CC=C(C=C1)CO PI-41788 [0,1,0,0,0,0|3,0,0]=4 135 B11R1.3 CNC1=CC=C(C=C1)[N+](=O)[O-] PI-26020 [0,1,0,0,0,0|3,0,0]=4 136 B11R1.3 COC1=CC=C(C=C1)C(=O)N PI-10932 [0,1,0,0,0,0|2,0,0]=3 137 B11R1.3 COC1=NC=C(C=C1)C(=S)N PI-26214 [0,1,0,0,0,0|3,0,0]=4 138 B11R1.3 COC1=NC=C(C=C1)[N+](=O)[O-] PI-16710 [0,1,0,0,0,0|3,0,0]=4 139 B11R1.3 COc1ccc(cc1)B(O)O PI-11577 [0,1,0,0,0,0|2,0,0]=3 140 B11R1.3 COc1ccc(cc1)C(=N)N PI-38826 [0,1,0,0,0,0|2,0,0]=3 141 B11R1.3 COc1ccc(cc1)C(=O)O PI-31764 [0,1,0,0,0,0|2,0,0]=3 142 B11R1.3 COc1ccc(cc1)C(Cl)=O PI-31760 [0,1,0,0,0,0|2,0,0]=3 143 B11R1.3 COc1ccc(cc1)[C@@H](N)C PI-32642 [0,1,0,0,0,0|1,0,0]=2 144 B11R1.3 COc1ccc(cn1)B(O)O PI-25217 [0,1,0,0,0,0|3,0,0]=4 145 B11R1.3 COc1ccc(cn1)C(=O)O PI-28741 [0,1,0,0,0,0|3,0,0]=4 146 B11R1.3 COc1ccc(nc1)C(=O)O PI-38926 [0,1,0,0,0,0|3,0,0]=4 147 B11R1.3 CSC1=CC=C(C=C1)[N+](=O)[O-] PI-12010 [0,1,0,0,0,0|2,1,0]=4 148 B11R1.3 C[C@@H](C1=CC=C(C=C1)C#N)O PI-49825 [0,1,0,0,0,0|3,0,0]=4 149 B11R1.3 C[C@@H](C1=CC=C(C=C1)OC)O PI-49809 [0,1,0,0,0,0|1,0,0]=2 150 B11R1.3 C[C@H](C1=CC=C(C=C1)C#N)O PI-49824 [0,1,0,0,0,0|3,0,0]=4 151 B11R1.3 NNc1ccc(cc1)C(C)C PI-29077 [0,1,0,0,0,0|3,0,0]=4 152 B11R1.3 NNc1ccc(cc1)C(C)C PI-29812 [0,1,0,0,0,0|3,0,0]=4 153 B11R1.3 O=C(O)C1=CC=C(CC)C=C1 PI-10223 [0,1,0,0,0,0|3,0,0]=4 154 B11R1.3 O=Cc1ccc(cc1)N(C)C PI-32094 [0,1,0,0,0,0|3,0,0]=4 155 B11R1.83 C1=CC(=CC=C1CCN)C#N PI-48254 [0,1,0,0,0,0|3,0,0]=4 156 B11R1.83 CCCC1=CC=C(C=C1)C#C PI-30797 [0,1,0,0,0,0|2,0,1]=4 157 B11R1.83 CCCC1=CC=C(C=C1)C=O PI-27431 [0,1,0,0,0,0|3,0,0]=4 158 B11R1.83 CCOC1=CC=C(C=C1)C#C PI-30939 [0,1,0,0,0,0|1,0,1]=3 159 B11R1.83 CCOC1=CC=C(C=C1)C#N PI-50300 [0,1,0,0,0,0|2,0,0]=3 160 B11R1.83 CCOC1=CC=C(C=C1)C=O PI-50245 [0,1,0,0,0,0|2,0,0]=3 161 B11R1.83 CCSC1=CC=C(C=C1)C=O PI-27942 [0,1,0,0,0,0|2,1,0]=4 162 B11R1.83 COC1=CC=C(C=C1)CC#N PI-31718 [0,1,0,0,0,0|1,0,1]=3 163 B11R1.83 COC1=CC=C(C=C1)CCO PI-35236 [0,1,0,0,0,0|1,0,0]=2 164 B11R1.83 COC1=CC=C(C=C1)CNN PI-50561 [0,1,0,0,0,0|2,0,0]=3 165 B11R1.83 COC1=CC=C(C=C1)CNO PI-44099 [0,1,0,0,0,0|2,0,0]=3 166 B11R1.83 COCc1ccc(cc1)OC PI-35666 [0,1,0,0,0,0|0,0,0]=1 167 B11R1.83 COc1ccc(cc1)N=C=O PI-39302 [0,1,0,0,0,0|1,0,1]=3 168 B11R1.83 CSC1=CC=C(C=C1)CC#N PI-50651 [0,1,0,0,0,0|1,1,1]=4 169 B11R1.83 NCCc1ccc(OC)cc1 PI-31711 [0,1,0,0,0,0|1,0,0]=2 170 B11R1.279 CC1=C(C=CC(=C1)C=O)OC PI-16554 [0,1,0,0,0,0|2,0,0]=3 171 B11R1.279 CC1=C(C=CC(=C1)OC)C#C PI-19876 [0,1,0,0,0,0|1,0,1]=3 172 B11R1.279 CC1=C(C=CC(=C1)OC)C=O PI-27668 [0,1,0,0,0,0|2,0,0]=3 173 B11R1.279 CC1=C(C=CC(=C1)OC)NN PI-29977 [0,1,0,0,0,0|2,0,0]=3 174 B11R1.279 CC1=C(C=CC(=C1)OC)OC PI-33344 [0,1,0,0,0,0|0,0,0]=1 175 B11R1.279 COC1=C(C=C(C=C1)C#N)Cl PI-19025 [0,1,0,0,0,0|2,0,0]=3 176 B11R1.279 COC1=C(C=C(C=C1)C#N)F PI-10704 [0,1,0,0,0,0|2,0,0]=3 177 B11R1.279 COC1=C(C=C(C=C1)C#N)O PI-34038 [0,1,0,0,0,0|2,0,0]=3 178 B11R1.279 COC1=C(C=C(C=C1)C=O)Br PI-18486 [0,1,0,0,0,0|2,0,0]=3 179 B11R1.279 COC1=C(C=C(C=C1)C=O)F PI-28427 [0,1,0,0,0,0|2,0,0]=3 180 B11R1.279 COC1=C(C=C(C=C1)C=O)O PI-15305 [0,1,0,0,0,0|2,0,0]=3 181 B11R1.279 COC1=C(C=C(C=C1)CBr)F PI-23718 [0,1,0,0,0,0|2,0,0]=3 182 B11R1.279 COC1=C(C=C(C=C1)CN)Cl PI-30601 [0,1,0,0,0,0|2,0,0]=3 183 B11R1.279 COC1=CC(=C(C=C1)C#N)F PI-10454 [0,1,0,0,0,0|2,0,0]=3 184 B11R1.279 COC1=CC(=C(C=C1)C=O)F PI-28394 [0,1,0,0,0,0|2,0,0]=3 185 B11R1.279 COC1=CC(=C(C=C1)OC)Br PI-21654 [0,1,0,0,0,0|0,0,0]=1 186 B11R1.279 COc1ccc(C=O)c(O)c1 PI-31262 [0,1,0,0,0,0|2,0,0]=3 187 B11R1.279 COc1ccc(OC)c(F)c1 PI-21289 [0,1,0,0,0,0|0,0,0]=1 188 B11R1.279 COc1ccc(OC)c(O)c1 PI-32412 [0,1,0,0,0,0|0,0,0]=1 189 B11R1.279 COc1ccc(OC)c(S)c1 PI-21302 [0,1,0,0,0,0|0,0,0]=1 190 B11R1.279 ClCc1ccc(OC)c(F)c1 PI-16369 [0,1,0,0,0,0|2,0,0]=3 191 B11R1.279 NCc1ccc(c(c1)Cl)OC PI-37600 [0,1,0,0,0,0|2,0,0]=3 192 B11R1.279 O=CC1=CN=C(OC)C(F)=C1 PI-46768 [0,1,0,0,0,0|3,0,0]=4 193 B11R2.190 O=CC1=CC=C2CCC2=C1 PI-40933 [0,0,0,1,0,0|3,0,0]=4 194 B8R1.2 BrCC1=CC=CC=C1 PI-36476 [2,0,0,0,0,0|2,0,0]=4 195 B8R1.2 C#CC1=CC=CC=C1 PI-48958 [2,0,0,0,0,0|1,0,1]=4 196 B8R1.2 CCC1=CC=CC=N1 PI-49466 [2,0,0,0,0,0|2,0,0]=4 197 B8R1.2 CC[N+]1=CC=CC=C1 PI-13342 [2,0,0,0,0,0|2,0,0]=4 198 B8R1.2 CC[N+]1=CC=CC=C1 PI-13347 [2,0,0,0,0,0|2,0,0]=4 199 B8R1.2 CNC1=CC=CC=N1 PI-11864 [2,0,0,0,0,0|2,0,0]=4 200 B8R1.2 CNC1=CC=NC=C1 PI-23603 [2,0,0,0,0,0|2,0,0]=4 201 B8R1.2 CNC1=CN=CC=C1 PI-11328 [2,0,0,0,0,0|2,0,0]=4 202 B8R1.2 COC1=CC=CC=N1 PI-33887 [2,0,0,0,0,0|1,0,0]=3 203 B8R1.2 COC1=CC=NC=C1 PI-10034 [2,0,0,0,0,0|1,0,0]=3 204 B8R1.2 COC1=CN=CC=C1 PI-33889 [2,0,0,0,0,0|1,0,0]=3 205 B8R1.2 COC1=NC=CN=C1 PI-11859 [2,0,0,0,0,0|2,0,0]=4 206 B8R1.2 CSC1=CC=CC=N1 PI-16757 [2,0,0,0,0,0|1,1,0]=4 207 B8R1.2 NCC1=CC=CC=C1 PI-37209 [2,0,0,0,0,0|2,0,0]=4 208 B8R1.2 NNC1=CC=CC=C1 PI-41551 [2,0,0,0,0,0|2,0,0]=4 209 B8R1.2 ONc1ccccc1 PI-38448 [2,0,0,0,0,0|2,0,0]=4 210 B8R1.2 [C-]#CC1=CC=CC=C1 PI-48435 [2,0,0,0,0,0|1,0,1]=4 211 B8R1.3 Brc1ccc(C)cn1 PI-10149 [2,0,0,0,0,0|2,0,0]=4 212 B8R1.3 Brc1ccc(I)cc1 PI-21525 [2,0,0,0,0,0|2,0,0]=4 213 B8R1.3 C1=CC(=CC=C1Cl)Br PI-48678 [2,0,0,0,0,0|2,0,0]=4 214 B8R1.3 C1=CC(=CC=C1Cl)I PI-20137 [2,0,0,0,0,0|2,0,0]=4 215 B8R1.3 C1=CC(=CC=C1F)S PI-17595 [2,0,0,0,0,0|1,1,0]=4 216 B8R1.3 C1=CC(=CC=C1F)[S-] PI-28110 [2,0,0,0,0,0|1,1,0]=4 217 B8R1.3 C1=CC(=CC=C1N)S PI-14246 [2,0,0,0,0,0|1,1,0]=4 218 B8R1.3 C1=CC(=CC=C1S)Br PI-21352 [2,0,0,0,0,0|1,1,0]=4 219 B8R1.3 C1=CC(=NC=C1O)Cl PI-10086 [2,0,0,0,0,0|2,0,0]=4 220 B8R1.3 C1=CC(=NC=C1O)I PI-34186 [2,0,0,0,0,0|2,0,0]=4 221 B8R1.3 C1=CC(=NC=C1O)N PI-34189 [2,0,0,0,0,0|2,0,0]=4 222 B8R1.3 CC1=CN=C(C=C1)F PI-34372 [2,0,0,0,0,0|2,0,0]=4 223 B8R1.3 CC1=CN=C(C=N1)C PI-29099 [2,0,0,0,0,0|2,0,0]=4 224 B8R1.3 CC1=CNC(=O)C=C1 PI-15774 [2,0,0,0,0,0|1,0,1]=4 225 B8R1.3 CC1=NC=C(C=C1)F PI-16773 [2,0,0,0,0,0|2,0,0]=4 226 B8R1.3 CC1=NC=C(C=C1)O PI-11928 [2,0,0,0,0,0|1,0,0]=3 227 B8R1.3 CC1=NC=C(C=N1)O PI-42081 [2,0,0,0,0,0|2,0,0]=4 228 B8R1.3 Cc1ccc(Cl)cn1 PI-36942 [2,0,0,0,0,0|2,0,0]=4 229 B8R1.3 Cc1ccc(F)cc1 PI-34120 [2,0,0,0,0,0|1,0,0]=3 230 B8R1.3 Cc1ccc(I)cc1 PI-13709 [2,0,0,0,0,0|1,0,0]=3 231 B8R1.3 Cc1ccc(cn1)Br PI-23479 [2,0,0,0,0,0|2,0,0]=4 232 B8R1.3 Cc1ccc(cn1)N PI-13104 [2,0,0,0,0,0|2,0,0]=4 233 B8R1.3 Clc1ccc(cn1)C PI-16696 [2,0,0,0,0,0|2,0,0]=4 234 B8R1.3 FC1=CC=C(Br)C=C1 PI-33066 [2,0,0,0,0,0|2,0,0]=4 235 B8R1.3 FC1=NC=C(C=C1)O PI-40204 [2,0,0,0,0,0|2,0,0]=4 236 B8R1.3 Fc1ccc(I)cc1 PI-15769 [2,0,0,0,0,0|2,0,0]=4 237 B8R1.3 Fc1ccc(cc1)F PI-11683 [2,0,0,0,0,0|2,0,0]=4 238 B8R1.3 Ic1ccc(cc1)I PI-10976 [2,0,0,0,0,0|2,0,0]=4 239 B8R1.3 Nc1ccc(O)cc1 PI-34110 [2,0,0,0,0,0|1,0,0]=3 240 B8R1.3 Nc1ccc(cc1)F PI-33065 [2,0,0,0,0,0|2,0,0]=4 241 B8R1.3 Nc1ccc(cc1)I PI-25653 [2,0,0,0,0,0|2,0,0]=4 242 B8R1.3 Nc1ccc(cn1)C PI-25208 [2,0,0,0,0,0|2,0,0]=4 243 B8R1.3 OC1=CN=C(Br)C=C1 PI-40203 [2,0,0,0,0,0|2,0,0]=4 244 B8R1.3 OC1=NC=C(N)C=C1 PI-37317 [2,0,0,0,0,0|2,0,0]=4 245 B8R1.3 Oc1ccc(Br)cc1 PI-22230 [2,0,0,0,0,0|1,0,0]=3 246 B8R1.3 Oc1ccc(I)cc1 PI-10956 [2,0,0,0,0,0|1,0,0]=3 247 B8R1.3 Oc1ccc(cc1)F PI-27532 [2,0,0,0,0,0|1,0,0]=3 248 B8R1.3 Oc1ccc(cc1)S PI-21361 [2,0,0,0,0,0|0,1,0]=3 249 B8R1.3 Oc1ccc(cn1)Br PI-16568 [2,0,0,0,0,0|2,0,0]=4 250 B8R1.3 Oc1ccc(cn1)C PI-37410 [2,0,0,0,0,0|1,0,0]=3 251 B8R1.3 Oc1ccc(cn1)Cl PI-15823 [2,0,0,0,0,0|2,0,0]=4 252 B8R1.3 Oc1ccc(cn1)F PI-34437 [2,0,0,0,0,0|2,0,0]=4 253 B8R1.3 Oc1ccc(cn1)N PI-28402 [2,0,0,0,0,0|2,0,0]=4 254 B8R1.3 [O-][n+]1ccc(cc1)C PI-33172 [2,0,0,0,0,0|1,0,1]=4 255 B10R1.1 BrCCc1ccc(Br)cc1 PI-19204 [1,1,0,0,0,0|2,0,0]=4 256 B10R1.1 BrCCc1ccc(C)cc1 PI-21425 [1,1,0,0,0,0|1,0,0]=3 257 B10R1.1 BrCCc1ccc(Cl)cc1 PI-21415 [1,1,0,0,0,0|2,0,0]=4 258 B10R1.1 BrCCc1ccc(F)cc1 PI-21419 [1,1,0,0,0,0|2,0,0]=4 259 B10R1.1 BrCCc1ccc(cc1)O PI-19128 [1,1,0,0,0,0|1,0,0]=3 260 B10R1.1 C1=CC(=CC=C1CCCl)F PI-20050 [1,1,0,0,0,0|2,0,0]=4 261 B10R1.1 C1=CC(=CC=C1CCN)F PI-33070 [1,1,0,0,0,0|2,0,0]=4 262 B10R1.1 C1=CC(=CC=C1CCO)Br PI-44966 [1,1,0,0,0,0|2,0,0]=4 263 B10R1.1 C1=CC(=CC=C1CCO)Cl PI-46018 [1,1,0,0,0,0|2,0,0]=4 264 B10R1.1 C1=CC(=CC=C1CCO)N PI-10092 [1,1,0,0,0,0|2,0,0]=4 265 B10R1.1 C1=CC(=CC=C1CCO)O PI-29634 [1,1,0,0,0,0|1,0,0]=3 266 B10R1.1 CC1=CC=C(C=C1)N=C=S PI-48734 [1,1,0,0,0,0|1,0,1]=4 267 B10R1.1 CC1=CC=C(C=C1)SCCl PI-19470 [1,1,0,0,0,0|0,1,0]=3 268 B10R1.1 CCCC1=CC=C(C=C1)Br PI-16232 [1,1,0,0,0,0|2,0,0]=4 269 B10R1.1 CCCC1=CC=C(C=C1)I PI-19089 [1,1,0,0,0,0|2,0,0]=4 270 B10R1.1 CCCC1=CC=C(C=C1)O PI-16209 [1,1,0,0,0,0|1,0,0]=3 271 B10R1.1 CCOC1=CC=C(C=C1)Br PI-34197 [1,1,0,0,0,0|1,0,0]=3 272 B10R1.1 CCOC1=CC=C(C=C1)I PI-12223 [1,1,0,0,0,0|1,0,0]=3 273 B10R1.1 CCOC1=NC=C(C=C1)Br PI-23209 [1,1,0,0,0,0|2,0,0]=4 274 B10R1.1 CCOc1ccc(cc1)O PI-27806 [1,1,0,0,0,0|0,0,0]=2 275 B10R1.1 CCOc1ccc(cn1)N PI-33888 [1,1,0,0,0,0|2,0,0]=4 276 B10R1.1 CNCC1=CC=C(C=C1)N PI-30552 [1,1,0,0,0,0|2,0,0]=4 277 B10R1.1 FC1=CC=C(OCC)C=C1 PI-22032 [1,1,0,0,0,0|1,0,0]=3 278 B10R1.1 N#CCC1=CC=C(O)C=C1 PI-11988 [1,1,0,0,0,0|1,0,1]=4 279 B10R1.1 N#CCc1ccc(cc1)C PI-12004 [1,1,0,0,0,0|1,0,1]=4 280 B10R1.1 NCCC1=CC=C(Br)C=C1 PI-15694 [1,1,0,0,0,0|2,0,0]=4 281 B10R1.1 NCCc1ccc(Br)cc1 PI-22229 [1,1,0,0,0,0|2,0,0]=4 282 B10R1.1 NCCc1ccc(O)cc1 PI-16006 [1,1,0,0,0,0|1,0,0]=3 283 B10R1.1 NCCc1ccc(O)cc1 PI-16007 [1,1,0,0,0,0|1,0,0]=3 284 B10R1.1 NCCc1ccc(cc1)N PI-10153 [1,1,0,0,0,0|2,0,0]=4 285 B10R1.1 O=C=Nc1ccc(cc1)C PI-11411 [1,1,0,0,0,0|1,0,1]=4 286 B10R1.1 OCCc1ccc(F)cc1 PI-28804 [1,1,0,0,0,0|2,0,0]=4 287 B10R1.13 B(C1=CC=C(C=C1)O)(O)O PI-25808 [1,1,0,0,0,0|2,0,0]=4 288 B10R1.13 C1=CC(=CC=C1C(=O)N)O PI-20729 [1,1,0,0,0,0|2,0,0]=4 289 B10R1.13 CC(=O)C1=CC=C(C=C1)Br PI-44871 [1,1,0,0,0,0|2,0,0]=4 290 B10R1.13 CC(=O)C1=CC=C(C=C1)N PI-29588 [1,1,0,0,0,0|2,0,0]=4 291 B10R1.13 CC(=O)c1ccc(cc1)I PI-29117 [1,1,0,0,0,0|2,0,0]=4 292 B10R1.13 CC(C)C1=CC=C(C=C1)Br PI-32313 [1,1,0,0,0,0|2,0,0]=4 293 B10R1.13 CC(C)C1=CC=C(C=C1)N PI-50230 [1,1,0,0,0,0|2,0,0]=4 294 B10R1.13 CC(C)C1=CC=C(C=C1)S PI-21362 [1,1,0,0,0,0|1,1,0]=4 295 B10R1.13 CC(C1=CC=C(C=C1)Br)N PI-19358 [1,1,0,0,0,0|2,0,0]=4 296 B10R1.13 CC(C1=CC=C(C=C1)Br)O PI-32579 [1,1,0,0,0,0|2,0,0]=4 297 B10R1.13 CC(C1=CC=C(C=C1)Cl)N PI-47032 [1,1,0,0,0,0|2,0,0]=4 298 B10R1.13 CC(C1=CC=C(C=C1)N)O PI-11962 [1,1,0,0,0,0|2,0,0]=4 299 B10R1.13 CC(C1=CC=C(O)C=C1)=O PI-37424 [1,1,0,0,0,0|1,0,0]=3 300 B10R1.13 CC(c1ccc(cc1)Cl)O PI-11234 [1,1,0,0,0,0|2,0,0]=4 301 B10R1.13 CC1=CC=C(C=C1)C(=N)N PI-29803 [1,1,0,0,0,0|2,0,0]=4 302 B10R1.13 CC1=CC=C(C=C1)C(=O)C PI-32267 [1,1,0,0,0,0|1,0,0]=3 303 B10R1.13 CC1=CC=C(C=C1)C(=O)Cl PI-34220 [1,1,0,0,0,0|2,0,0]=4 304 B10R1.13 CC1=CC=C(C=C1)C(=S)N PI-30352 [1,1,0,0,0,0|2,0,0]=4 305 B10R1.13 CC1=CC=C(C=C1)C(C)O PI-32578 [1,1,0,0,0,0|1,0,0]=3 306 B10R1.13 CC1=CC=C(C=C1)[C@@H](C)O PI-49806 [1,1,0,0,0,0|1,0,0]=3 307 B10R1.13 CC1=CC=C(C=C1)[C@H](C)O PI-49807 [1,1,0,0,0,0|1,0,0]=3 308 B10R1.13 CC1=NC=C(C=C1)C(=O)C PI-34864 [1,1,0,0,0,0|2,0,0]=4 309 B10R1.13 CN(C)C1=CC=C(C=C1)N PI-29738 [1,1,0,0,0,0|2,0,0]=4 310 B10R1.13 CN(C)C1=CC=C(C=C1)S PI-23412 [1,1,0,0,0,0|1,1,0]=4 311 B10R1.13 CN(c1ccc(cc1)Br)C PI-32601 [1,1,0,0,0,0|2,0,0]=4 312 B10R1.13 C[C@@H](O)C1=CC=C(Br)C=C1 PI-37362 [1,1,0,0,0,0|2,0,0]=4 313 B10R1.13 C[C@@H](c1ccc(cc1)Br)N PI-16658 [1,1,0,0,0,0|2,0,0]=4 314 B10R1.13 C[C@@H](c1ccc(cc1)Cl)O PI-36982 [1,1,0,0,0,0|2,0,0]=4 315 B10R1.13 C[C@@H](c1ccc(cc1)F)N PI-43974 [1,1,0,0,0,0|2,0,0]=4 316 B10R1.13 C[C@H](C1=CC=C(C=C1)O)O PI-49819 [1,1,0,0,0,0|1,0,0]=3 317 B10R1.13 C[C@H](c1ccc(cc1)Cl)O PI-36954 [1,1,0,0,0,0|2,0,0]=4 318 B10R1.13 Cc1ccc(cc1)C(C)C PI-39397 [1,1,0,0,0,0|1,0,0]=3 319 B10R1.13 Cc1ccc(cc1)S(=O)O PI-38460 [1,1,0,0,0,0|1,1,0]=4 320 B10R1.13 ClC(=O)c1ccc(cc1)C PI-32402 [1,1,0,0,0,0|2,0,0]=4 321 B10R1.13 Fc1ccc(cc1)C(C)O PI-32580 [1,1,0,0,0,0|2,0,0]=4 322 B10R1.13 NC(=S)c1ccc(cc1)O PI-20877 [1,1,0,0,0,0|2,0,0]=4 323 B10R1.13 Nc1ccc(cc1)N(C)C PI-29785 [1,1,0,0,0,0|2,0,0]=4 324 B10R1.13 Nc1ccc(cc1)N(C)C PI-30690 [1,1,0,0,0,0|2,0,0]=4 325 B10R1.13 O=[S@@](C1=CC=C(C)C=C1)N PI-41430 [1,1,0,0,0,0|1,1,0]=4 326 B10R1.13 O=[S@](C1=CC=C(C)C=C1)N PI-41427 [1,1,0,0,0,0|1,1,0]=4 327 B10R1.13 OB(c1ccc(cc1)C)O PI-35795 [1,1,0,0,0,0|2,0,0]=4 328 B10R1.13 Oc1ccc(cc1)C(=N)N PI-20730 [1,1,0,0,0,0|2,0,0]=4 329 B10R1.25 C1=CC(=C(C=C1O)O)CO PI-11751 [1,1,0,0,0,0|2,0,0]=4 330 B10R1.25 CC1=C(C=CC(=C1)Br)OC PI-21586 [1,1,0,0,0,0|1,0,0]=3 331 B10R1.25 CC1=C(C=CC(=C1)Cl)OC PI-19447 [1,1,0,0,0,0|1,0,0]=3 332 B10R1.25 CC1=CC(=C(C=C1)C#N)C PI-23422 [1,1,0,0,0,0|2,0,0]=4 333 B10R1.25 CC1=CC(=C(C=C1)C#N)N PI-30405 [1,1,0,0,0,0|2,0,0]=4 334 B10R1.25 CC1=CC(=C(C=C1)C=O)Br PI-26931 [1,1,0,0,0,0|2,0,0]=4 335 B10R1.25 CC1=CC(=C(C=C1)C=O)F PI-31460 [1,1,0,0,0,0|2,0,0]=4 336 B10R1.25 CC1=CC(=C(C=C1)CCl)C PI-23825 [1,1,0,0,0,0|2,0,0]=4 337 B10R1.25 CC1=CC(=C(C=C1)CO)N PI-26925 [1,1,0,0,0,0|2,0,0]=4 338 B10R1.25 CC1=CC(=C(C=C1)NN)C PI-29747 [1,1,0,0,0,0|2,0,0]=4 339 B10R1.25 CC1=CC(=C(C=C1)NN)Cl PI-20171 [1,1,0,0,0,0|2,0,0]=4 340 B10R1.25 CC1=CC(=C(C=C1)OC)Cl PI-19323 [1,1,0,0,0,0|0,0,0]=2 341 B10R1.25 CC1=CC(=C(C=C1)OC)F PI-23730 [1,1,0,0,0,0|0,0,0]=2 342 B10R1.25 CC1=CC(=C(C=C1)OC)I PI-19656 [1,1,0,0,0,0|0,0,0]=2 343 B10R1.25 CC1=CC(=C(C=C1)[N+]#[C-])Br PI-22160 [1,1,0,0,0,0|1,0,1]=4 344 B10R1.25 CC1=CC(Br)=CN=C1OC PI-46636 [1,1,0,0,0,0|2,0,0]=4 345 B10R1.25 CC1=CC(I)=CC=C1OC PI-19887 [1,1,0,0,0,0|1,0,0]=3 346 B10R1.25 CC1=CC=C(OC)C(Br)=C1 PI-16425 [1,1,0,0,0,0|0,0,0]=2 347 B10R1.25 CCC1=C(C=C(C=C1)O)O PI-27436 [1,1,0,0,0,0|1,0,0]=3 348 B10R1.25 CCC1=C(N=C(C=C1)C)N PI-30602 [1,1,0,0,0,0|2,0,0]=4 349 B10R1.25 CNC1=CC=C(F)C=C1F PI-21200 [1,1,0,0,0,0|2,0,0]=4 350 B10R1.25 COC1=C(C=C(C=C1)Cl)F PI-33133 [1,1,0,0,0,0|1,0,0]=3 351 B10R1.25 COC1=C(C=C(C=C1)F)Cl PI-20055 [1,1,0,0,0,0|1,0,0]=3 352 B10R1.25 COC1=C(C=C(C=C1)F)F PI-16982 [1,1,0,0,0,0|1,0,0]=3 353 B10R1.25 COC1=C(C=C(C=C1)F)F PI-34388 [1,1,0,0,0,0|1,0,0]=3 354 B10R1.25 COC1=C(C=C(C=C1)F)N PI-34515 [1,1,0,0,0,0|1,0,0]=3 355 B10R1.25 COC1=C(C=C(C=C1)F)O PI-34264 [1,1,0,0,0,0|1,0,0]=3 356 B10R1.25 COC1=C(C=C(C=C1)N)N PI-17225 [1,1,0,0,0,0|1,0,0]=3 357 B10R1.25 COC1=C(C=C(C=N1)Br)I PI-26761 [1,1,0,0,0,0|2,0,0]=4 358 B10R1.25 COC1=C(O)C=C(N)C=C1 PI-27246 [1,1,0,0,0,0|1,0,0]=3 359 B10R1.25 COC1=NC=C(C=C1N)Br PI-44976 [1,1,0,0,0,0|2,0,0]=4 360 B10R1.25 COc1ccc(F)cc1S PI-23728 [1,1,0,0,0,0|1,0,0]=3 361 B10R1.25 COc1ccc(S)cc1F PI-23727 [1,1,0,0,0,0|0,1,0]=3 362 B10R1.25 COc1ccc(cc1Br)Cl PI-20603 [1,1,0,0,0,0|1,0,0]=3 363 B10R1.25 COc1ccc(cc1Br)F PI-28540 [1,1,0,0,0,0|1,0,0]=3 364 B10R1.25 COc1ccc(cc1Cl)N PI-38593 [1,1,0,0,0,0|1,0,0]=3 365 B10R1.25 COc1ccc(cc1F)Br PI-16907 [1,1,0,0,0,0|1,0,0]=3 366 B10R1.25 COc1ccc(cc1F)N PI-28446 [1,1,0,0,0,0|1,0,0]=3 367 B10R1.25 COc1ccc(cc1F)O PI-34292 [1,1,0,0,0,0|0,0,0]=2 368 B10R1.25 COc1ncc(cc1Br)F PI-39398 [1,1,0,0,0,0|2,0,0]=4 369 B10R1.25 CSc1ccc(cc1C)O PI-18452 [1,1,0,0,0,0|0,1,0]=3 370 B10R1.25 FC1=C(C=O)C=CC(=C1)O PI-28419 [1,1,0,0,0,0|2,0,0]=4 371 B10R1.25 N#CC1=CC=C(O)C=C1F PI-16085 [1,1,0,0,0,0|2,0,0]=4 372 B10R1.25 N#Cc1ccc(O)cc1O PI-11750 [1,1,0,0,0,0|2,0,0]=4 373 B10R1.25 N#Cc1ccc(cc1F)C PI-28867 [1,1,0,0,0,0|2,0,0]=4 374 B10R1.25 NCc1ccc(cc1C)C PI-27988 [1,1,0,0,0,0|2,0,0]=4 375 B10R1.25 O=Cc1ccc(C)cc1O PI-20805 [1,1,0,0,0,0|2,0,0]=4 376 B10R1.25 O=Cc1ccc(O)cc1Cl PI-10303 [1,1,0,0,0,0|2,0,0]=4 377 B10R1.25 O=Cc1ccc(O)cc1O PI-11749 [1,1,0,0,0,0|2,0,0]=4 378 B10R1.25 O=Cc1ccc(cc1C)C PI-27218 [1,1,0,0,0,0|2,0,0]=4 379 B10R1.25 OC1=CC(=C(C=O)C=C1)C PI-18542 [1,1,0,0,0,0|2,0,0]=4 380 B10R1.25 OCc1ccc(cc1C)C PI-38556 [1,1,0,0,0,0|2,0,0]=4 381 B10R1.176 BrCc1ccc(C)c(F)c1 PI-23753 [1,1,0,0,0,0|2,0,0]=4 382 B10R1.176 C1=CC(=C(C=C1C#N)Br)O PI-16222 [1,1,0,0,0,0|2,0,0]=4 383 B10R1.176 C1=CC(=C(C=C1C#N)F)O PI-34365 [1,1,0,0,0,0|2,0,0]=4 384 B10R1.176 C1=CC(=C(C=C1C=O)Br)O PI-18445 [1,1,0,0,0,0|2,0,0]=4 385 B10R1.176 C1=CC(=C(C=C1C=O)Cl)O PI-20127 [1,1,0,0,0,0|2,0,0]=4 386 B10R1.176 C1=CC(=C(C=C1C=O)F)O PI-28509 [1,1,0,0,0,0|2,0,0]=4 387 B10R1.176 C1=CC(=C(C=C1CO)O)O PI-19526 [1,1,0,0,0,0|2,0,0]=4 388 B10R1.176 CC1=C(C=C(C=C1)C#N)Cl PI-20153 [1,1,0,0,0,0|2,0,0]=4 389 B10R1.176 CC1=C(C=C(C=C1)C#N)F PI-31087 [1,1,0,0,0,0|2,0,0]=4 390 B10R1.176 CC1=C(C=C(C=C1)C=O)C PI-11614 [1,1,0,0,0,0|2,0,0]=4 391 B10R1.176 CC1=C(C=C(C=C1)C=O)F PI-28215 [1,1,0,0,0,0|2,0,0]=4 392 B10R1.176 CC1=C(C=C(C=C1)CCl)C PI-23827 [1,1,0,0,0,0|2,0,0]=4 393 B10R1.176 CC1=C(C=C(C=C1)CN)C PI-33680 [1,1,0,0,0,0|2,0,0]=4 394 B10R1.176 CC1=C(C=C(C=C1)CN)Cl PI-20155 [1,1,0,0,0,0|2,0,0]=4 395 B10R1.176 CC1=C(C=C(C=C1)NN)C PI-50516 [1,1,0,0,0,0|2,0,0]=4 396 B10R1.176 CC1=C(C=C(C=C1)NN)Cl PI-20172 [1,1,0,0,0,0|2,0,0]=4 397 B10R1.176 CC1=C(C=C(C=C1)OC)Cl PI-10076 [1,1,0,0,0,0|0,0,0]=2 398 B10R1.176 CC1=C(C=C(C=C1)OC)F PI-28510 [1,1,0,0,0,0|0,0,0]=2 399 B10R1.176 CC1=C(C=CC(=C1)C=O)O PI-18215 [1,1,0,0,0,0|2,0,0]=4 400 B10R1.176 CC1=C(C=CC(=C1)OC)Br PI-31134 [1,1,0,0,0,0|1,0,0]=3 401 B10R1.176 CC1=C(C=CC(=C1)OC)Cl PI-19110 [1,1,0,0,0,0|1,0,0]=3 402 B10R1.176 CC1=C(C=CC(=C1)OC)F PI-28300 [1,1,0,0,0,0|1,0,0]=3 403 B10R1.176 CC1=C(C=CC(=C1)OC)N PI-11298 [1,1,0,0,0,0|1,0,0]=3 404 B10R1.176 CCc1ccc(c(c1)O)O PI-19057 [1,1,0,0,0,0|1,0,0]=3 405 B10R1.176 COC1=CC(=C(C=C1)Br)Cl PI-20604 [1,1,0,0,0,0|1,0,0]=3 406 B10R1.176 COC1=CC(=C(C=C1)Br)F PI-10453 [1,1,0,0,0,0|1,0,0]=3 407 B10R1.176 COC1=CC(=C(C=C1)Cl)Br PI-33016 [1,1,0,0,0,0|1,0,0]=3 408 B10R1.176 COC1=CC(=C(C=C1)N)O PI-34837 [1,1,0,0,0,0|1,0,0]=3 409 B10R1.176 COC1=CC(=C(C=C1)O)Br PI-14462 [1,1,0,0,0,0|0,0,0]=2 410 B10R1.176 COC1=CC(=C(C=C1)O)N PI-34807 [1,1,0,0,0,0|0,0,0]=2 411 B10R1.176 COC1=CC(F)=C(O)C=C1 PI-40578 [1,1,0,0,0,0|0,0,0]=2 412 B10R1.176 COC1=CC=C(Cl)C(F)=C1 PI-39520 [1,1,0,0,0,0|1,0,0]=3 413 B10R1.176 COC1=CC=C(N)C(N)=C1 PI-12090 [1,1,0,0,0,0|1,0,0]=3 414 B10R1.176 COC1=NC(=C(C=C1)N)N PI-10380 [1,1,0,0,0,0|2,0,0]=4 415 B10R1.176 COC1=NC(=C(C=C1)N)N PI-33881 [1,1,0,0,0,0|2,0,0]=4 416 B10R1.176 COc1ccc(c(c1)Cl)O PI-20143 [1,1,0,0,0,0|0,0,0]=2 417 B10R1.176 COc1ccc(c(c1)F)F PI-28067 [1,1,0,0,0,0|1,0,0]=3 418 B10R1.176 COc1ccc(c(c1)F)N PI-39131 [1,1,0,0,0,0|1,0,0]=3 419 B10R1.176 COc1ccc(c(c1)N)Br PI-35266 [1,1,0,0,0,0|1,0,0]=3 420 B10R1.176 COc1ccc(c(c1)N)N PI-29731 [1,1,0,0,0,0|1,0,0]=3 421 B10R1.176 COc1ccc(c(n1)C)Br PI-38912 [1,1,0,0,0,0|2,0,0]=4 422 B10R1.176 COc1ncc(c(c1)C)Br PI-38911 [1,1,0,0,0,0|2,0,0]=4 423 B10R1.176 CSC1=CC(=C(C=C1)Cl)Cl PI-11888 [1,1,0,0,0,0|1,1,0]=4 424 B10R1.176 N#Cc1ccc(c(c1)Br)C PI-34358 [1,1,0,0,0,0|2,0,0]=4 425 B10R1.176 N#Cc1ccc(c(c1)C)C PI-29364 [1,1,0,0,0,0|2,0,0]=4 426 B10R1.176 NCc1ccc(c(c1)O)O PI-30190 [1,1,0,0,0,0|2,0,0]=4 427 B10R1.176 NNc1ccc(c(c1)C)C PI-29749 [1,1,0,0,0,0|2,0,0]=4 428 B10R1.176 O=CC1=CC=C(O)C(I)=C1 PI-27762 [1,1,0,0,0,0|2,0,0]=4 429 B10R1.176 O=Cc1ccc(O)c(O)c1 PI-10046 [1,1,0,0,0,0|2,0,0]=4 430 B10R1.176 O=Cc1ccc(c(c1)O)C PI-27720 [1,1,0,0,0,0|2,0,0]=4 431 B12R1.5 BrCc1ccc(cc1)C(=O)OC PI-31123 [0,2,0,0,0,0|2,0,0]=4 432 B12R1.5 C1=C(C(OC)=O)C=CC(=C1)C=O PI-27217 [0,2,0,0,0,0|2,0,0]=4 433 B12R1.5 CCC(=O)c1ccc(cc1)OC PI-11534 [0,2,0,0,0,0|1,0,0]=3 434 B12R1.5 CC[N+]1=CC=C(C=C1)C(=O)OC PI-17154 [0,2,0,0,0,0|2,0,0]=4 435 B12R1.5 COC(=O)C1=CC=C(C=C1)C#C PI-46518 [0,2,0,0,0,0|1,0,1]=4 436 B12R1.5 COC(=O)C1=CC=C(C=C1)CCl PI-24334 [0,2,0,0,0,0|2,0,0]=4 437 B12R1.5 COC(=O)C1=CC=C(C=C1)CO PI-50464 [0,2,0,0,0,0|2,0,0]=4 438 B12R1.5 COC(=O)c1ccc(cc1)C#N PI-31024 [0,2,0,0,0,0|2,0,0]=4 439 B12R1.5 COC(=O)c1ccc(cc1)NC PI-30237 [0,2,0,0,0,0|1,0,0]=3 440 B12R1.5 COC1=CC=C(C=C1)C(=O)CBr PI-13027 [0,2,0,0,0,0|1,0,0]=3 441 B12R1.5 COC1=CC=C(C=C1)C(=O)CCl PI-30325 [0,2,0,0,0,0|1,0,0]=3 442 B12R1.5 COC1=CC=C(C=C1)C(=O)CN PI-30558 [0,2,0,0,0,0|1,0,0]=3 443 B12R1.5 COC1=CC=C(C=C1)C(=O)CO PI-29587 [0,2,0,0,0,0|1,0,0]=3 444 B12R1.5 COC1=CC=C(C=C1)C(=O)NN PI-29486 [0,2,0,0,0,0|2,0,0]=4 445 B12R1.5 COC1=CC=C(C=C1)C(=O)OC PI-31766 [0,2,0,0,0,0|0,0,0]=2 446 B12R1.5 COC1=NC=C(N=C1)C(=O)OC PI-50193 [0,2,0,0,0,0|2,0,0]=4 447 B12R1.5 O=C(OC)C1=CN=C(OC)C=C1 PI-11559 [0,2,0,0,0,0|1,0,0]=3 448 B12R1.6 COC1=CC=C(C=C1)S(=O)(=O)Cl PI-24684 [0,2,0,0,0,0|1,1,0]=4 449 B12R1.6 COc1ccc(cc1)C(F)(F)F PI-28506 [0,2,0,0,0,0|2,0,0]=4 450 B12R1.48 B(C1=CC(=C(C=C1)OC)C)(O)O PI-19231 [0,2,0,0,0,0|2,0,0]=4 451 B12R1.48 B(C1=CC(=C(C=C1)OC)Cl)(O)O PI-49984 [0,2,0,0,0,0|2,0,0]=4 452 B12R1.48 B(C1=CC(=C(C=C1)OC)F)(O)O PI-31069 [0,2,0,0,0,0|2,0,0]=4 453 B12R1.48 CC(=O)C1=CC(=C(C=C1)OC)Cl PI-30545 [0,2,0,0,0,0|1,0,0]=3 454 B12R1.48 CC(=O)C1=CC(=C(C=C1)OC)I PI-30933 [0,2,0,0,0,0|1,0,0]=3 455 B12R1.48 COC1=C(C=C(C=C1)C(=O)Cl)F PI-23716 [0,2,0,0,0,0|2,0,0]=4 456 B12R1.48 COC1=C(C=C(C=C1)C(=O)N)N PI-11538 [0,2,0,0,0,0|2,0,0]=4 457 B12R1.48 COC1=C(C=C(C=C1)C(=O)O)Br PI-30998 [0,2,0,0,0,0|2,0,0]=4 458 B12R1.48 COC1=C(C=C(C=C1)C(=O)O)F PI-13362 [0,2,0,0,0,0|2,0,0]=4 459 B12R1.48 COC1=C(C=C(C=C1)C(=O)O)N PI-30426 [0,2,0,0,0,0|2,0,0]=4 460 B12R1.48 COC1=C(C=C(C=C1)C(=O)O)O PI-10869 [0,2,0,0,0,0|2,0,0]=4 461 B12R1.48 COC1=C(C=C(C=C1)[N+](=O)[O-])Br PI-22191 [0,2,0,0,0,0|2,0,0]=4 462 B12R1.48 COC1=C(C=C(C=C1)[N+](=O)[O-])Cl PI-29624 [0,2,0,0,0,0|2,0,0]=4 463 B12R1.48 COC1=C(C=C(C=C1)[N+](=O)[O-])F PI-28551 [0,2,0,0,0,0|2,0,0]=4 464 B12R1.48 COC1=C(C=C(C=C1)[N+](=O)[O-])[O-] PI-27834 [0,2,0,0,0,0|2,0,0]=4 465 B12R1.48 COc1ccc(cc1Br)C(=O)C PI-21565 [0,2,0,0,0,0|1,0,0]=3 466 B12R1.48 COc1ccc(cc1Cl)C(=O)O PI-30550 [0,2,0,0,0,0|2,0,0]=4 467 B12R1.48 COc1ccc(cc1F)C(=O)C PI-16157 [0,2,0,0,0,0|1,0,0]=3 468 B12R1.48 COc1ccc(cc1I)[N+](=O)[O-] PI-13703 [0,2,0,0,0,0|2,0,0]=4 469 B12R1.48 COc1ccc(cc1O)[N+](=O)[O-] PI-15695 [0,2,0,0,0,0|2,0,0]=4 470 B12R1.113 B(C1=CC=C(C=C1)OCC)(O)O PI-29355 [0,2,0,0,0,0|2,0,0]=4 471 B12R1.113 CC(=O)C1=CC=C(C=C1)CCBr PI-29574 [0,2,0,0,0,0|2,0,0]=4 472 B12R1.113 CC(=O)C1=CC=C(C=C1)CCCl PI-29851 [0,2,0,0,0,0|2,0,0]=4 473 B12R1.113 CCCC1=CC=C(C=C1)C(=O)C PI-12355 [0,2,0,0,0,0|2,0,0]=4 474 B12R1.113 CCOC1=CC=C(C=C1)C(=O)C PI-12228 [0,2,0,0,0,0|1,0,0]=3 475 B12R1.113 CCOC1=CC=C(C=C1)C(=O)Cl PI-25220 [0,2,0,0,0,0|2,0,0]=4 476 B12R1.113 CCOC1=CC=C(C=C1)C(=O)N PI-25676 [0,2,0,0,0,0|2,0,0]=4 477 B12R1.113 CCOC1=CC=C(C=C1)C(=O)O PI-50295 [0,2,0,0,0,0|2,0,0]=4 478 B12R1.113 CCOC1=CC=C(C=C1)[C@@H](C)O PI-49822 [0,2,0,0,0,0|1,0,0]=3 479 B12R1.113 COCc1ccc(cc1)B(O)O PI-36858 [0,2,0,0,0,0|2,0,0]=4 480 B12R1.256 CC(=C)C1=CC=C(C=C1)C(=C)C PI-50178 [0,2,0,0,0,0|2,0,0]=4 481 B12R1.256 CC(=O)C1=CC=C(C=C1)C(=O)C PI-29027 [0,2,0,0,0,0|2,0,0]=4 482 B12R1.256 CC(=O)C1=CC=C(C=C1)N(C)C PI-29338 [0,2,0,0,0,0|2,0,0]=4 483 B12R1.256 CC(C)C1=CC=C(C=C1)C(=O)C PI-12756 [0,2,0,0,0,0|2,0,0]=4 484 B12R1.256 CN(C)C1=CC=C(C=C1)N(C)C PI-30028 [0,2,0,0,0,0|2,0,0]=4 485 B12R1.256 CN(c1ccc(cc1)N(C)C)C PI-30819 [0,2,0,0,0,0|2,0,0]=4 486 B12R1.256 C[Si](C)C1=CC=C(C=C1)[Si](C)C PI-46040 [0,2,0,0,0,0|2,0,0]=4 487 B12R1.256 C[Si](C)C1=CC=C(C=C1)[Si](C)C PI-50095 [0,2,0,0,0,0|2,0,0]=4 488 B12R1.452 B(C1=C(C=C(C=C1)OC)Cl)(O)O PI-40453 [0,2,0,0,0,0|2,0,0]=4 489 B12R1.452 B(C1=C(C=C(C=C1)OC)F)(O)O PI-27223 [0,2,0,0,0,0|2,0,0]=4 490 B12R1.452 C1=CC(=CC(=C1C(O)=O)N)OC PI-41092 [0,2,0,0,0,0|2,0,0]=4 491 B12R1.452 CC(=O)C1=C(C=C(C=C1)OC)F PI-12716 [0,2,0,0,0,0|1,0,0]=3 492 B12R1.452 CC(=O)C1=C(C=C(C=C1)OC)N PI-30608 [0,2,0,0,0,0|1,0,0]=3 493 B12R1.452 CC(=O)C1=C(C=C(C=C1)OC)O PI-11034 [0,2,0,0,0,0|1,0,0]=3 494 B12R1.452 CC1=C(C=CC(=C1)OC)[N+](=O)[O-] PI-26719 [0,2,0,0,0,0|2,0,0]=4 495 B12R1.452 COC1=CC(=C(C=C1)C(=O)O)Cl PI-33352 [0,2,0,0,0,0|2,0,0]=4 496 B12R1.452 COC1=CC(=C(C=C1)C(=O)O)I PI-50080 [0,2,0,0,0,0|2,0,0]=4 497 B12R1.452 COC1=CC(=C(C=C1)C(=O)O)O PI-10049 [0,2,0,0,0,0|2,0,0]=4 498 B12R1.452 COC1=CC(=C(C=C1)[N+](=O)[O-])F PI-29599 [0,2,0,0,0,0|2,0,0]=4 499 B12R1.452 COc1ccc(C(=O)N)c(O)c1 PI-32435 [0,2,0,0,0,0|2,0,0]=4 500 B12R1.452 COc1ccc(c(c1)F)[N+](=O)[O-] PI-36894 [0,2,0,0,0,0|2,0,0]=4 501 B12R1.452 COc1ccc(c(c1)I)[N+](=O)[O-] PI-29347 [0,2,0,0,0,0|2,0,0]=4 502 B12R1.452 COc1ccc(c(c1)O)[N+](=O)[O-] PI-29863 [0,2,0,0,0,0|2,0,0]=4 503 B12R1.452 O=[N+](C1=CC=C(OC)C=C1Cl)[O-] PI-41816 [0,2,0,0,0,0|2,0,0]=4 504 B12R1.452 OB(C1=CC=C(OC)C=C1C)O PI-25327 [0,2,0,0,0,0|2,0,0]=4 505 B12R1.4 C1=CC(=CC=C1C#N)OC(F)F PI-21186 [0,2,0,0,0,0|2,0,0]=4 506 B12R1.4 C1=CC(=CC=C1C=O)OC(F)F PI-21180 [0,2,0,0,0,0|2,0,0]=4 507 B12R1.4 C1=CC(=CC=C1CBr)OC(F)F PI-21191 [0,2,0,0,0,0|2,0,0]=4 508 B12R1.4 C1=CC(=CC=C1CN)OC(F)F PI-21188 [0,2,0,0,0,0|2,0,0]=4 509 B12R1.4 C1=CC(=CC=C1CO)OC(F)F PI-21187 [0,2,0,0,0,0|2,0,0]=4 510 B12R1.4 CC(=O)NC1=CC=C(C=C1)SC PI-26041 [0,2,0,0,0,0|1,1,0]=4 511 B12R1.4 CC(=O)OC1=CC=C(C=C1)C=C PI-26362 [0,2,0,0,0,0|1,0,1]=4 512 B12R1.4 CC(=O)OC1=CC=C(C=C1)C=O PI-27962 [0,2,0,0,0,0|2,0,0]=4 513 B12R1.4 CC(C)OC1=CC=C(C=C1)C=O PI-27291 [0,2,0,0,0,0|2,0,0]=4 514 B12R1.4 CC(C)OC1=CC=C(C=C1)NN PI-44104 [0,2,0,0,0,0|2,0,0]=4 515 B12R1.4 CC(CC1=CC=C(C=C1)OC)N PI-49796 [0,2,0,0,0,0|1,0,0]=3 516 B12R1.4 CCC1=CC=C(C=C1)OC(=O)C PI-26566 [0,2,0,0,0,0|1,0,0]=3 517 B12R1.4 CCc1ccc(cc1)CC(=O)C PI-15443 [0,2,0,0,0,0|2,0,0]=4 518 B12R1.4 COC1=CC=C(C=C1)CC(=O)Cl PI-46936 [0,2,0,0,0,0|1,0,1]=4 519 B12R1.4 COc1ccc(cc1)CC(=O)C PI-12198 [0,2,0,0,0,0|1,0,0]=3 520 B12R1.4 COc1ccc(cc1)CC(=O)O PI-22754 [0,2,0,0,0,0|1,0,1]=4 521 B12R1.71 C1=CC(=CC=C1C=O)OCCCl PI-27691 [0,2,0,0,0,0|2,0,0]=4 522 B12R1.71 C=CCOC1=CC=C(C=C1)C=O PI-27573 [0,2,0,0,0,0|2,0,0]=4 523 B12R1.71 COC1=CC=C(C=C1)CCCCl PI-19747 [0,2,0,0,0,0|1,0,0]=3 524 B12R1.71 COC1=CC=C(C=C1)CN=C=O PI-11440 [0,2,0,0,0,0|1,0,1]=4 525 B12R1.71 O=CCCc1ccc(OC)cc1 PI-13196 [0,2,0,0,0,0|1,0,0]=3 526 B12R1.71 OCC1=CC=C(OCC#C)C=C1 PI-40760 [0,2,0,0,0,0|2,0,0]=4 527 B12R1.71 OCCCc1ccc(cc1)OC PI-40026 [0,2,0,0,0,0|1,0,0]=3 528 B12R1.71 OCCOc1ccc(cc1)C=O PI-27350 [0,2,0,0,0,0|2,0,0]=4 529 B12R1.114 CCOC1=C(C=C(C=C1)C=O)F PI-26661 [0,2,0,0,0,0|2,0,0]=4 530 B12R1.116 C1=CC(=CC=C1CCCl)CCCl PI-19872 [0,2,0,0,0,0|2,0,0]=4 531 B12R1.116 CCOC1=CC=C(C=C1)CC#N PI-19832 [0,2,0,0,0,0|1,0,1]=4 532 B12R1.116 CCOC1=CC=C(C=C1)N=C=O PI-19444 [0,2,0,0,0,0|1,0,1]=4 533 B12R1.116 CCOC1=CC=C(C=C1)N=C=S PI-22037 [0,2,0,0,0,0|1,0,1]=4 534 B12R1.116 COCc1ccc(cc1)COC PI-31993 [0,2,0,0,0,0|0,0,0]=2 535 B12R1.288 C=CCc1ccc(OC)c(F)c1 PI-23724 [0,2,0,0,0,0|1,0,1]=4 536 B12R1.288 COC1=C(C=C(C=C1)CC#N)Br PI-21562 [0,2,0,0,0,0|1,0,1]=4 537 B12R1.288 COC1=C(C=C(C=C1)CC#N)F PI-35242 [0,2,0,0,0,0|1,0,1]=4 538 B12R1.288 COC1=C(C=C(C=C1)N=C=O)Cl PI-26527 [0,2,0,0,0,0|1,0,1]=4 539 B12R1.288 NCCc1ccc(OC)c(O)c1 PI-20793 [0,2,0,0,0,0|1,0,0]=3 540 B12R1.78 C1=C(C(=CC=C1OC)OC)OC PI-15328 [0,2,0,0,0,0|0,0,0]=2 541 B12R1.78 COC1=C(C=C(C=C1)C#N)OC PI-34357 [0,2,0,0,0,0|2,0,0]=4 542 B12R1.78 COC1=C(C=C(C=C1)C=C)OC PI-46940 [0,2,0,0,0,0|1,0,1]=4 543 B12R1.78 COC1=C(C=C(C=C1)CN)OC PI-21287 [0,2,0,0,0,0|2,0,0]=4 544 B12R1.78 COC1=CC(=C(C=C1)C#N)OC PI-29583 [0,2,0,0,0,0|2,0,0]=4 545 B12R1.78 COC1=CC(=C(C=C1)C=O)C#N PI-26309 [0,2,0,0,0,0|2,0,0]=4 546 B12R1.78 COC1=CC(=C(C=C1)OC)CCl PI-23197 [0,2,0,0,0,0|0,0,0]=2 547 B12R1.78 COc1cc(C#C)ccc1OC PI-30615 [0,2,0,0,0,0|1,0,1]=4 548 B12R1.78 COc1cc(CCl)ccc1OC PI-32020 [0,2,0,0,0,0|2,0,0]=4 549 B12R1.78 COc1cc(OC)ccc1C=O PI-10207 [0,2,0,0,0,0|2,0,0]=4 550 B12R1.78 COc1cc(OC)ccc1CO PI-29889 [0,2,0,0,0,0|2,0,0]=4 551 B12R1.78 COc1cc(SC)ccc1OC PI-23352 [0,2,0,0,0,0|0,1,0]=3 552 B12R1.78 COc1cc([N+]#[C-])ccc1OC PI-23292 [0,2,0,0,0,0|1,0,1]=4 553 B12R1.78 COc1ccc(OC)c([N+]#[C-])c1 PI-23291 [0,2,0,0,0,0|0,0,0]=2 554 B12R1.301 CC1=CC(=CC(=C1OC)C)C=O PI-23874 [0,2,0,0,0,0|2,0,0]=4 555 B12R1.301 COC1=C(C=C(C=C1Cl)C=O)Cl PI-21050 [0,2,0,0,0,0|2,0,0]=4 556 B12R1.301 COC1=C(C=C(C=C1F)C=O)F PI-26834 [0,2,0,0,0,0|2,0,0]=4 557 B12R1.301 COc1cc(F)c(c(c1)F)C=O PI-26352 [0,2,0,0,0,0|2,0,0]=4 558 B12R1.450 CC1=CC(=C(C=C1OC)Br)OC PI-35453 [0,2,0,0,0,0|0,0,0]=2 559 B12R1.450 CC1=CC(=C(C=C1OC)I)OC PI-21290 [0,2,0,0,0,0|0,0,0]=2 560 B12R1.450 CCC1=C(Br)C=C(CC)C(Br)=C1 PI-19556 [0,2,0,0,0,0|2,0,0]=4 561 B12R1.450 COC1=C(I)C=C(OC)C(I)=C1 PI-42605 [0,2,0,0,0,0|0,0,0]=2 562 B12R1.450 COC1=CC(=C(C=C1N)OC)Cl PI-33490 [0,2,0,0,0,0|0,0,0]=2 563 B12R1.450 COC1=CC(=O)C(=CC1=O)OC PI-47100 [0,2,0,0,0,0|0,0,0]=2 564 B12R1.450 COc1cc(Br)c(OC)cc1Br PI-20966 [0,2,0,0,0,0|0,0,0]=2 565 B12R1.450 COc1cc(Br)c(cc1O)C=O PI-28353 [0,2,0,0,0,0|2,0,0]=4 566 B12R1.450 COc1cc(C)c(C=O)cc1C PI-27837 [0,2,0,0,0,0|2,0,0]=4 567 B12R1.653 COC1=C(C(=C(C=C1)C#N)F)F PI-34519 [0,2,0,0,0,0|2,0,0]=4 568 B12R1.653 COC1=C(C(=C(C=C1)C=O)Br)O PI-27439 [0,2,0,0,0,0|2,0,0]=4 569 B12R1.653 COC1=C(C(=C(C=C1)C=O)Cl)O PI-27536 [0,2,0,0,0,0|2,0,0]=4 570 B12R1.653 COc1ccc(C=O)c(C)c1C PI-27548 [0,2,0,0,0,0|2,0,0]=4 571 B10R1.2 CC1=C(C(=CC=C1)OC)C PI-33340 [0,0,1,1,0,0|1,0,1]=4 572 B10R2.31 BrC1=CC2=C(CC2)C=C1 PI-37003 [1,0,0,1,0,0|2,0,0]=4 573 B10R2.31 NC1=CC=C2CCC2=C1 PI-40931 [1,0,0,1,0,0|2,0,0]=4 574 B10R2.31 OC1=CC=C2CCC2=C1 PI-42598 [1,0,0,1,0,0|1,0,0]=3 575 B12R2.44 C#Cc1ccc2c(c1)OCO2 PI-38731 [0,1,0,1,0,0|1,0,1]=4 576 B12R2.44 C1COC2=C1C=C(C=C2)C=O PI-21253 [0,1,0,1,0,0|2,0,0]=4 577 B12R2.44 C1COC2=C1C=C(C=C2)CN PI-17657 [0,1,0,1,0,0|2,0,0]=4 578 B12R2.44 C1COC2=C1C=C(C=C2)CO PI-19102 [0,1,0,1,0,0|2,0,0]=4 579 B12R2.44 C1OC2=C(O1)C=C(C=C2)CCl PI-32417 [0,1,0,1,0,0|2,0,0]=4 580 B12R2.44 C=CC1=CC2=C(C=C1)OCO2 PI-49743 [0,1,0,1,0,0|1,0,1]=4 581 B12R2.44 COC1=CC2=C(C=C1)N=CS2 PI-45370 [0,1,0,1,0,0|1,0,1]=4 582 B12R2.44 COC1=CC2=C(C=C1)NCC2 PI-36188 [0,1,0,1,0,0|1,0,0]=3 583 B12R2.44 COC1=CC2=C(CNC2)C=C1 PI-48286 [0,1,0,1,0,0|1,0,0]=3 584 B12R2.44 COc1ccc2[nH]ccc2c1 PI-20326 [0,1,0,1,0,0|1,0,1]=4 585 B12R2.44 COc1ccc2[nH]ncc2c1 PI-36080 [0,1,0,1,0,0|1,0,1]=4 586 B12R2.44 COc1ccc2c(c1)[nH]cc2 PI-22794 [0,1,0,1,0,0|1,0,1]=4 587 B12R2.44 COc1ccc2c(c1)cco2 PI-17717 [0,1,0,1,0,0|0,0,1]=3 588 B12R2.44 N#Cc1ccc2c(c1)OCO2 PI-12788 [0,1,0,1,0,0|2,0,0]=4 589 B12R2.44 OCc1ccc2OCOc2c1 PI-32416 [0,1,0,1,0,0|2,0,0]=4 590 B10R1.172 CNC1=NC(=CC=C1)OC PI-11646 [0,0,0,0,1,1|2,0,0]=4 591 B10R1.172 COC1=CC(=CC=C1)OC PI-35273 [0,0,0,0,1,1|0,0,0]=2 592 B10R1.172 COC1=CC(=NC=C1)CN PI-50083 [0,0,0,0,1,1|2,0,0]=4 593 B10R1.172 COC1=CC(=NC=C1)OC PI-26237 [0,0,0,0,1,1|0,0,0]=2 594 B10R1.172 COC1=CC(=NC=N1)OC PI-21332 [0,0,0,0,1,1|1,0,0]=3 595 B10R1.172 COC1=CC=CC(=C1)C#N PI-31072 [0,0,0,0,1,1|2,0,0]=4 596 B10R1.172 COC1=CC=CC(=C1)CBr PI-49400 [0,0,0,0,1,1|2,0,0]=4 597 B10R1.172 COC1=CC=CC(=C1)CN PI-31714 [0,0,0,0,1,1|2,0,0]=4 598 B10R1.172 COC1=CC=CC(=C1)NN PI-29546 [0,0,0,0,1,1|2,0,0]=4 599 B10R1.172 COC1=NC(=CC=C1)OC PI-34404 [0,0,0,0,1,1|1,0,0]=3 600 B10R1.172 COC1=NC(=NC=C1)OC PI-21327 [0,0,0,0,1,1|1,0,0]=3 601 B10R1.172 COc1cccc(c1)C=O PI-32570 [0,0,0,0,1,1|2,0,0]=4 602 B10R1.172 COc1nccc(c1)CO PI-39370 [0,0,0,0,1,1|2,0,0]=4 603 B10R1.172 ClCc1cccc(c1)OC PI-32021 [0,0,0,0,1,1|2,0,0]=4 604 B10R1.172 N#CC1=NC=CC(OC)=C1 PI-46678 [0,0,0,0,1,1|2,0,0]=4 605 B10R1.172 O=CC1=CC(OC)=CN=C1 PI-37016 [0,0,0,0,1,1|2,0,0]=4 606 B10R1.172 OCc1cccc(c1)OC PI-31272 [0,0,0,0,1,1|2,0,0]=4