0 B12R1.78 C1=C(C(=CC=C1OC)OC)OC PI-15328 [0,0,0,0,0,0|2,0,0]=2 1 B12R1.78 COC1=C(C=C(C=C1)C#N)OC PI-34357 [0,0,0,0,0,0|1,0,1]=2 2 B12R1.78 COC1=C(C=C(C=C1)C=C)OC PI-46940 [0,0,0,0,0,0|1,0,0]=1 3 B12R1.78 COC1=C(C=C(C=C1)CN)OC PI-21287 [0,0,0,0,0,0|1,0,1]=2 4 B12R1.78 COC1=C(C=CC(=C1)C#N)C=O PI-26308 [0,0,0,0,0,0|3,0,1]=4 5 B12R1.78 COC1=CC(=C(C=C1)C#N)OC PI-29583 [0,0,0,0,0,0|4,0,0]=4 6 B12R1.78 COC1=CC(=C(C=C1)OC)CCl PI-23197 [0,0,0,0,0,0|4,0,0]=4 7 B12R1.78 COc1cc(C#C)ccc1OC PI-30615 [0,0,0,0,0,0|1,0,1]=2 8 B12R1.78 COc1cc(CCl)ccc1OC PI-32020 [0,0,0,0,0,0|1,0,1]=2 9 B12R1.78 COc1cc(OC)ccc1C=O PI-10207 [0,0,0,0,0,0|4,0,0]=4 10 B12R1.78 COc1cc(OC)ccc1CO PI-29889 [0,0,0,0,0,0|4,0,0]=4 11 B12R1.78 COc1cc(SC)ccc1OC PI-23352 [0,0,0,0,0,0|2,0,0]=2 12 B12R1.78 COc1cc([N+]#[C-])ccc1OC PI-23292 [0,0,0,0,0,0|2,0,0]=2 13 B12R1.78 COc1ccc(OC)c([N+]#[C-])c1 PI-23291 [0,0,0,0,0,0|3,0,1]=4 14 B11R1.37 CC1=CC(=C(C=C1)OC)OC PI-23359 [1,0,0,0,0,0|0,0,1]=2 15 B11R1.37 COC1=C(C=C(C=C1)Br)C=O PI-31926 [1,0,0,0,0,0|3,0,0]=4 16 B11R1.37 COC1=C(C=C(C=C1)Br)CO PI-45731 [1,0,0,0,0,0|3,0,0]=4 17 B11R1.37 COC1=C(C=C(C=C1)Cl)C#N PI-19723 [1,0,0,0,0,0|3,0,0]=4 18 B11R1.37 COC1=C(C=C(C=C1)F)C#N PI-34276 [1,0,0,0,0,0|3,0,0]=4 19 B11R1.37 COC1=C(C=C(C=C1)F)OC PI-23227 [1,0,0,0,0,0|1,0,0]=2 20 B11R1.37 COC1=C(C=C(C=C1)I)C=O PI-26632 [1,0,0,0,0,0|3,0,0]=4 21 B11R1.37 COC1=C(C=C(C=C1)S)OC PI-21358 [1,0,0,0,0,0|0,1,0]=2 22 B11R1.37 COC1=C(C=CC(=C1)F)C#N PI-23714 [1,0,0,0,0,0|3,0,0]=4 23 B11R1.37 COC1=NC=C(N=C1OC)Br PI-43278 [1,0,0,0,0,0|3,0,0]=4 24 B11R1.37 COc1cc(Br)ccc1OC PI-21655 [1,0,0,0,0,0|1,0,0]=2 25 B11R1.37 COc1cc(F)ccc1C=O PI-38318 [1,0,0,0,0,0|3,0,0]=4 26 B11R1.37 COc1cc(I)ccc1OC PI-23242 [1,0,0,0,0,0|1,0,0]=2 27 B11R1.37 COc1cc(N)ccc1C#N PI-38838 [1,0,0,0,0,0|3,0,0]=4 28 B11R1.37 COc1cc(N)ccc1OC PI-23186 [1,0,0,0,0,0|1,0,0]=2 29 B11R1.37 COc1cc(O)ccc1C=O PI-11990 [1,0,0,0,0,0|2,0,1]=4 30 B11R1.37 COc1cc(O)ccc1OC PI-28261 [1,0,0,0,0,0|0,0,1]=2 31 B11R1.37 O=Cc1cc(Cl)ccc1OC PI-27028 [1,0,0,0,0,0|3,0,0]=4 32 B11R1.279 CC1=C(C=CC(=C1)C=O)OC PI-16554 [1,0,0,0,0,0|0,0,0]=1 33 B11R1.279 CC1=C(C=CC(=C1)OC)OC PI-33344 [1,0,0,0,0,0|2,0,0]=3 34 B11R1.279 COC1=C(C=C(C=C1)C#N)Cl PI-19025 [1,0,0,0,0,0|2,0,1]=4 35 B11R1.279 COC1=C(C=C(C=C1)C#N)F PI-10704 [1,0,0,0,0,0|2,0,1]=4 36 B11R1.279 COC1=C(C=C(C=C1)C#N)O PI-34038 [1,0,0,0,0,0|1,0,1]=3 37 B11R1.279 COC1=C(C=C(C=C1)C=O)Br PI-18486 [1,0,0,0,0,0|1,0,0]=2 38 B11R1.279 COC1=C(C=C(C=C1)C=O)F PI-28427 [1,0,0,0,0,0|1,0,0]=2 39 B11R1.279 COC1=C(C=C(C=C1)C=O)O PI-15305 [1,0,0,0,0,0|0,0,0]=1 40 B11R1.279 COC1=C(C=C(C=C1)CBr)F PI-23718 [1,0,0,0,0,0|2,0,1]=4 41 B11R1.279 COC1=C(C=C(C=C1)CN)Cl PI-30601 [1,0,0,0,0,0|2,0,1]=4 42 B11R1.279 COC1=CC(=C(C=C1)OC)Br PI-21654 [1,0,0,0,0,0|3,0,0]=4 43 B11R1.279 COc1ccc(OC)c(F)c1 PI-21289 [1,0,0,0,0,0|3,0,0]=4 44 B11R1.279 COc1ccc(OC)c(O)c1 PI-32412 [1,0,0,0,0,0|2,0,0]=3 45 B11R1.279 COc1ccc(OC)c(S)c1 PI-21302 [1,0,0,0,0,0|2,1,0]=4 46 B11R1.279 ClCc1ccc(OC)c(F)c1 PI-16369 [1,0,0,0,0,0|2,0,1]=4 47 B11R1.279 NCc1ccc(c(c1)Cl)OC PI-37600 [1,0,0,0,0,0|2,0,1]=4 48 B11R1.279 O=CC1=CN=C(OC)C(F)=C1 PI-46768 [1,0,0,0,0,0|2,0,0]=3 49 B11R1.280 C1=CC(=C(C=C1C=O)C#N)F PI-27344 [1,0,0,0,0,0|3,0,0]=4 50 B11R1.280 C1=CC(=C(C=C1C=O)C=O)O PI-27490 [1,0,0,0,0,0|2,0,0]=3 51 B11R1.280 C1=CC(=CC(=C1C)OC)C=O PI-10103 [1,0,0,0,0,0|0,0,0]=1 52 B11R1.280 CCC1=CC(=C(C=C1)Br)OC PI-48437 [1,0,0,0,0,0|2,0,1]=4 53 B11R1.280 CCC1=CC(=C(C=C1)O)OC PI-12830 [1,0,0,0,0,0|1,0,1]=3 54 B11R1.280 COC1=C(C=CC(=C1)C#N)F PI-10706 [1,0,0,0,0,0|2,0,1]=4 55 B11R1.280 COC1=C(C=CC(=C1)NN)F PI-50686 [1,0,0,0,0,0|3,0,0]=4 56 B11R1.280 COC1=CC(=C(C=C1)I)OC PI-23241 [1,0,0,0,0,0|3,0,0]=4 57 B11R1.280 COc1cc(C#N)ccc1O PI-29016 [1,0,0,0,0,0|1,0,1]=3 58 B11R1.280 COc1cc(C=O)ccc1F PI-28101 [1,0,0,0,0,0|1,0,0]=2 59 B11R1.280 COc1cc(C=O)ccc1O PI-34109 [1,0,0,0,0,0|0,0,0]=1 60 B11R1.280 COc1ccc(F)c(OC)c1 PI-23228 [1,0,0,0,0,0|3,0,0]=4 61 B11R1.280 COc1ccc(S)c(OC)c1 PI-23358 [1,0,0,0,0,0|2,1,0]=4 62 B11R1.280 COc1ccc(c(c1)OC)Br PI-21375 [1,0,0,0,0,0|3,0,0]=4 63 B13R1.99 CC(=O)C1=C(C=C(C=C1)OC)OC PI-12349 [0,1,0,0,0,0|3,0,0]=4 64 B13R1.355 CCOC1=C(C=CC(=C1)C#N)OC PI-41181 [0,1,0,0,0,0|1,0,1]=3 65 B13R1.355 CCOc1cc(C=O)ccc1OC PI-27085 [0,1,0,0,0,0|0,0,0]=1 66 B13R1.386 C=CCc1ccc(c(c1)OC)OC PI-33038 [0,1,0,0,0,0|1,0,0]=2 67 B13R1.386 COC1=C(C=C(C=C1)CCO)OC PI-27888 [0,1,0,0,0,0|0,0,2]=3 68 B13R1.386 COC1=C(C=C(C=C1)N=C=S)OC PI-23295 [0,1,0,0,0,0|0,1,1]=3 69 B13R1.386 N#CCc1ccc(c(c1)OC)OC PI-32022 [0,1,0,0,0,0|1,0,1]=3 70 B13R1.386 NCCc1ccc(OC)c(OC)c1 PI-32364 [0,1,0,0,0,0|1,0,1]=3 71 B13R1.434 COC1=C(C(=CC(=C1)C=O)Br)OC PI-27852 [0,1,0,0,0,0|0,0,0]=1 72 B13R1.434 COC1=C(C(=CC(=C1)C=O)I)OC PI-27475 [0,1,0,0,0,0|0,0,0]=1 73 B13R1.434 COC1=CC(=CC(=C1OC)O)C=O PI-27442 [0,1,0,0,0,0|0,0,0]=1 74 B13R1.1249 CCOC1=C(C=C(C=C1)C=O)OC PI-27109 [0,1,0,0,0,0|0,0,0]=1 75 B13R1.2200 COC1=C(C=C(C(=C1)C#N)N)OC PI-15865 [0,1,0,0,0,0|1,0,1]=3 76 B13R1.2200 COC1=C(C=C(C(=C1)C=O)F)OC PI-21288 [0,1,0,0,0,0|0,0,0]=1 77 B13R1.2200 COC1=C(C=C(C(=C1)CBr)Br)OC PI-49399 [0,1,0,0,0,0|1,0,1]=3 78 B13R1.2200 COc1cc(C=O)c(cc1OC)Br PI-18019 [0,1,0,0,0,0|0,0,0]=1 79 B13R1.2422 COC1=C(C(=C(C=C1)C#N)Cl)OC PI-17311 [0,1,0,0,0,0|1,0,1]=3 80 B13R1.2422 O=CC1=CC=C(OC)C(OC)=C1Cl PI-18664 [0,1,0,0,0,0|0,0,0]=1 81 B13R1.2422 O=CC1=CC=C(OC)C(OC)=C1O PI-27301 [0,1,0,0,0,0|0,0,0]=1 82 B13R1.2430 B(C1=C(C=CC(=C1)C=O)OC)(O)O PI-25101 [0,1,0,0,0,0|2,0,0]=3 83 B13R1.2430 CC(=O)C1=C(C=CC(=C1)OC)OC PI-28086 [0,1,0,0,0,0|3,0,0]=4 84 B13R1.2430 COC1=C(C=C(C=C1)C=O)[N+](=O)[O-] PI-11997 [0,1,0,0,0,0|2,0,0]=3 85 B13R1.3091 B(C1=CC(=C(C=C1)OC)OC)(O)O PI-11578 [0,1,0,0,0,0|1,0,1]=3 86 B13R1.3091 CC(=O)C1=CC(=C(C=C1)OC)CCl PI-20161 [0,1,0,0,0,0|2,0,0]=3 87 B13R1.3091 CC(=O)C1=CC(=C(C=C1)OC)OC PI-12802 [0,1,0,0,0,0|0,0,0]=1 88 B13R1.3091 COC1=C(C=C(C=C1)C(=S)N)OC PI-23356 [0,1,0,0,0,0|0,1,0]=2 89 B13R1.3091 COC1=C(C=C(C=C1)[N+](=O)[O-])C=O PI-27397 [0,1,0,0,0,0|3,0,0]=4 90 B13R1.3091 COC1=C(C=C(C=C1)[N+](=O)[O-])CBr PI-26607 [0,1,0,0,0,0|3,0,0]=4 91 B13R1.3091 COC1=C(C=CC(=C1)C(=O)O)CBr PI-36155 [0,1,0,0,0,0|2,0,0]=3 92 B13R1.3091 COC1=C(C=CC(=C1)[N+](=O)[O-])C=O PI-27151 [0,1,0,0,0,0|3,0,0]=4 93 B13R1.3091 COC1=CC=C([N+]([O-])=O)C=C1OC PI-34326 [0,1,0,0,0,0|1,0,0]=2 94 B13R1.3091 COc1ccc(cc1OC)C(Cl)=O PI-23196 [0,1,0,0,0,0|0,0,0]=1 95 B13R2.57 C1COC2=C(O1)C=CC(=C2)CN PI-21248 [0,0,0,1,0,0|1,0,1]=3 96 B13R2.57 O=Cc1ccc2OCCOc2c1 PI-14155 [0,0,0,1,0,0|0,0,0]=1 97 B13R2.669 C1=CC2=C(C=C1C=O)C(=NO2)N PI-43124 [0,0,0,1,0,0|3,0,0]=4 98 B13R2.2130 CN1C2=C(C=C(C=C2)C=O)N=N1 PI-19652 [0,0,0,1,0,0|3,0,0]=4 99 B10R1.20 C#Cc1ccccc1OC PI-30918 [2,0,0,0,0,0|1,0,1]=4 100 B10R1.20 CCc1ccccc1CC PI-38722 [2,0,0,0,0,0|2,0,0]=4 101 B10R1.20 COC1=CC=CC=C1CN PI-31715 [2,0,0,0,0,0|2,0,0]=4 102 B10R1.20 COC1=CC=CC=C1NN PI-29852 [2,0,0,0,0,0|2,0,0]=4 103 B10R1.20 COC1=CC=CC=C1NN PI-50513 [2,0,0,0,0,0|2,0,0]=4 104 B10R1.20 COC1=CC=CC=C1SC PI-11860 [2,0,0,0,0,0|0,1,0]=3 105 B10R1.20 COc1ccccc1CCl PI-34182 [2,0,0,0,0,0|2,0,0]=4 106 B10R1.20 COc1ncccc1OC PI-16034 [2,0,0,0,0,0|1,0,0]=3 107 B10R1.20 N#Cc1ccccc1OC PI-11857 [2,0,0,0,0,0|2,0,0]=4 108 B10R1.25 CC1=C(C=CC(=C1)Br)OC PI-21586 [2,0,0,0,0,0|1,0,0]=3 109 B10R1.25 CC1=C(C=CC(=C1)Cl)OC PI-19447 [2,0,0,0,0,0|1,0,0]=3 110 B10R1.25 CC1=CC(=C(C=C1)OC)Cl PI-19323 [2,0,0,0,0,0|1,0,1]=4 111 B10R1.25 CC1=CC(=C(C=C1)OC)F PI-23730 [2,0,0,0,0,0|1,0,1]=4 112 B10R1.25 CC1=CC(=C(C=C1)OC)I PI-19656 [2,0,0,0,0,0|1,0,1]=4 113 B10R1.25 CC1=CC(Br)=CN=C1OC PI-46636 [2,0,0,0,0,0|2,0,0]=4 114 B10R1.25 CC1=CC(I)=CC=C1OC PI-19887 [2,0,0,0,0,0|1,0,0]=3 115 B10R1.25 CC1=CC=C(OC)C(Br)=C1 PI-16425 [2,0,0,0,0,0|1,0,1]=4 116 B10R1.25 CCC1=C(C=C(C=C1)O)O PI-27436 [2,0,0,0,0,0|1,0,1]=4 117 B10R1.25 COC1=C(C=C(C=C1)Cl)F PI-33133 [2,0,0,0,0,0|2,0,0]=4 118 B10R1.25 COC1=C(C=C(C=C1)F)Cl PI-20055 [2,0,0,0,0,0|2,0,0]=4 119 B10R1.25 COC1=C(C=C(C=C1)F)F PI-16982 [2,0,0,0,0,0|2,0,0]=4 120 B10R1.25 COC1=C(C=C(C=C1)F)F PI-34388 [2,0,0,0,0,0|2,0,0]=4 121 B10R1.25 COC1=C(C=C(C=C1)F)N PI-34515 [2,0,0,0,0,0|2,0,0]=4 122 B10R1.25 COC1=C(C=C(C=C1)F)O PI-34264 [2,0,0,0,0,0|1,0,0]=3 123 B10R1.25 COC1=C(C=C(C=C1)N)N PI-17225 [2,0,0,0,0,0|2,0,0]=4 124 B10R1.25 COC1=C(O)C=C(N)C=C1 PI-27246 [2,0,0,0,0,0|1,0,0]=3 125 B10R1.25 COc1ccc(F)cc1S PI-23728 [2,0,0,0,0,0|1,1,0]=4 126 B10R1.25 COc1ccc(S)cc1F PI-23727 [2,0,0,0,0,0|1,1,0]=4 127 B10R1.25 COc1ccc(cc1Br)Cl PI-20603 [2,0,0,0,0,0|2,0,0]=4 128 B10R1.25 COc1ccc(cc1Br)F PI-28540 [2,0,0,0,0,0|2,0,0]=4 129 B10R1.25 COc1ccc(cc1Cl)N PI-38593 [2,0,0,0,0,0|2,0,0]=4 130 B10R1.25 COc1ccc(cc1F)Br PI-16907 [2,0,0,0,0,0|2,0,0]=4 131 B10R1.25 COc1ccc(cc1F)N PI-28446 [2,0,0,0,0,0|2,0,0]=4 132 B10R1.25 COc1ccc(cc1F)O PI-34292 [2,0,0,0,0,0|1,0,1]=4 133 B10R1.25 CSc1ccc(cc1C)O PI-18452 [2,0,0,0,0,0|0,1,1]=4 134 B10R1.30 BrC1=C(C=C(C=C1)Cl)OC PI-41885 [2,0,0,0,0,0|2,0,0]=4 135 B10R1.30 CC1=C(C=C(C=C1)Cl)OC PI-10564 [2,0,0,0,0,0|1,0,0]=3 136 B10R1.30 CCC1=C(C=CC(=C1)O)O PI-19340 [2,0,0,0,0,0|1,0,1]=4 137 B10R1.30 COC1=C(C=CC(=C1)Br)N PI-44941 [2,0,0,0,0,0|2,0,0]=4 138 B10R1.30 COC1=C(C=CC(=C1)Cl)Cl PI-21000 [2,0,0,0,0,0|2,0,0]=4 139 B10R1.30 COC1=C(C=CC(=C1)Cl)N PI-11332 [2,0,0,0,0,0|2,0,0]=4 140 B10R1.30 COC1=C(C=CC(=C1)F)Br PI-21434 [2,0,0,0,0,0|2,0,0]=4 141 B10R1.30 COC1=C(C=CC(=C1)F)F PI-12727 [2,0,0,0,0,0|2,0,0]=4 142 B10R1.30 COC1=C(C=CC(=C1)N)Br PI-33359 [2,0,0,0,0,0|2,0,0]=4 143 B10R1.30 COC1=C(C=CC(=C1)N)Cl PI-34236 [2,0,0,0,0,0|2,0,0]=4 144 B10R1.30 COC1=C(C=CC(=C1)N)F PI-10622 [2,0,0,0,0,0|2,0,0]=4 145 B10R1.30 COC1=C(O)C=CC(F)=C1 PI-27601 [2,0,0,0,0,0|1,0,0]=3 146 B10R1.30 COc1cc(Br)ccc1Cl PI-14389 [2,0,0,0,0,0|2,0,0]=4 147 B10R1.30 COc1cc(Br)ccc1F PI-34341 [2,0,0,0,0,0|2,0,0]=4 148 B10R1.30 FC1=CC(=C(N)C=C1)OC PI-39749 [2,0,0,0,0,0|2,0,0]=4 149 B10R1.3 C1=CC(=CC=C1C=O)C#N PI-31014 [2,0,0,0,0,0|2,0,0]=4 150 B10R1.3 C1=CC(=CC=C1CBr)C=O PI-26695 [2,0,0,0,0,0|2,0,0]=4 151 B10R1.3 C1=CC(=CC=C1CCl)C=O PI-46952 [2,0,0,0,0,0|2,0,0]=4 152 B10R1.3 C1=CC(=CC=C1CO)C=O PI-48330 [2,0,0,0,0,0|2,0,0]=4 153 B10R1.3 CCc1ccc(C=O)cc1 PI-36758 [2,0,0,0,0,0|1,0,0]=3 154 B10R1.3 COC1=CC=C(C=C1)C#N PI-11998 [2,0,0,0,0,0|1,0,1]=4 155 B10R1.3 COC1=CC=C(C=C1)CS PI-45776 [2,0,0,0,0,0|0,1,1]=4 156 B10R1.3 COC1=CC=C(CC)C=C1 PI-12098 [2,0,0,0,0,0|1,0,1]=4 157 B10R1.3 COC1=NC=C(C=C1)C=O PI-10317 [2,0,0,0,0,0|1,0,0]=3 158 B10R1.3 COc1ccc(cc1)C#C PI-30919 [2,0,0,0,0,0|1,0,1]=4 159 B10R1.3 COc1ccc(cc1)C=C PI-34180 [2,0,0,0,0,0|1,0,0]=3 160 B10R1.3 COc1ccc(cc1)SC PI-12000 [2,0,0,0,0,0|2,0,0]=4 161 B10R1.3 COc1ccc(nc1)C=O PI-39039 [2,0,0,0,0,0|1,0,0]=3 162 B10R1.3 CSc1ccc(cc1)C=O PI-27503 [2,0,0,0,0,0|0,1,0]=3 163 B10R1.3 ClCc1ccc(OC)cc1 PI-11999 [2,0,0,0,0,0|1,0,1]=4 164 B10R1.3 NCc1ccc(OC)cc1 PI-10970 [2,0,0,0,0,0|1,0,1]=4 165 B10R1.3 NNc1ccc(cc1)OC PI-25299 [2,0,0,0,0,0|2,0,0]=4 166 B10R1.3 O=Cc1ccc(C#C)cc1 PI-26824 [2,0,0,0,0,0|1,0,1]=4 167 B10R1.3 O=Cc1ccc(cc1)C=O PI-38472 [2,0,0,0,0,0|2,0,0]=4 168 B10R1.176 C1=CC(=C(C=C1C=O)Br)Br PI-27885 [2,0,0,0,0,0|2,0,0]=4 169 B10R1.176 C1=CC(=C(C=C1C=O)Br)Cl PI-35233 [2,0,0,0,0,0|2,0,0]=4 170 B10R1.176 C1=CC(=C(C=C1C=O)Br)O PI-18445 [2,0,0,0,0,0|1,0,0]=3 171 B10R1.176 C1=CC(=C(C=C1C=O)Cl)F PI-28406 [2,0,0,0,0,0|2,0,0]=4 172 B10R1.176 C1=CC(=C(C=C1C=O)Cl)O PI-20127 [2,0,0,0,0,0|1,0,0]=3 173 B10R1.176 C1=CC(=C(C=C1C=O)F)O PI-28509 [2,0,0,0,0,0|1,0,0]=3 174 B10R1.176 C1=CC(=C(C=C1C=O)I)F PI-26322 [2,0,0,0,0,0|2,0,0]=4 175 B10R1.176 C1=CC(=C(C=C1C=O)O)I PI-27146 [2,0,0,0,0,0|1,0,0]=3 176 B10R1.176 C1=CC(=C(C=C1CO)O)O PI-19526 [2,0,0,0,0,0|0,0,2]=4 177 B10R1.176 CC1=C(C=C(C=C1)C=O)C PI-11614 [2,0,0,0,0,0|0,0,0]=2 178 B10R1.176 CC1=C(C=C(C=C1)C=O)F PI-28215 [2,0,0,0,0,0|1,0,0]=3 179 B10R1.176 CC1=C(C=C(C=C1)CCl)C PI-23827 [2,0,0,0,0,0|1,0,1]=4 180 B10R1.176 CC1=C(C=C(C=C1)CN)C PI-33680 [2,0,0,0,0,0|1,0,1]=4 181 B10R1.176 CC1=C(C=C(C=C1)NN)C PI-50516 [2,0,0,0,0,0|2,0,0]=4 182 B10R1.176 CC1=C(C=CC(=C1)C=O)F PI-28124 [2,0,0,0,0,0|1,0,0]=3 183 B10R1.176 CC1=C(C=CC(=C1)C=O)O PI-18215 [2,0,0,0,0,0|0,0,0]=2 184 B10R1.176 CCc1ccc(c(c1)O)O PI-19057 [2,0,0,0,0,0|1,0,1]=4 185 B10R1.176 Fc1ccc(C=O)cc1Br PI-10431 [2,0,0,0,0,0|2,0,0]=4 186 B10R1.176 N#Cc1ccc(c(c1)C)C PI-29364 [2,0,0,0,0,0|1,0,1]=4 187 B10R1.176 NCc1ccc(c(c1)O)O PI-30190 [2,0,0,0,0,0|1,0,1]=4 188 B10R1.176 NNc1ccc(c(c1)C)C PI-29749 [2,0,0,0,0,0|2,0,0]=4 189 B10R1.176 O=CC1=CC=C(O)C(I)=C1 PI-27762 [2,0,0,0,0,0|1,0,0]=3 190 B10R1.176 O=Cc1ccc(Cl)c(F)c1 PI-10524 [2,0,0,0,0,0|2,0,0]=4 191 B10R1.176 O=Cc1ccc(F)c(F)c1 PI-10106 [2,0,0,0,0,0|2,0,0]=4 192 B10R1.176 O=Cc1ccc(I)c(F)c1 PI-28941 [2,0,0,0,0,0|2,0,0]=4 193 B10R1.176 O=Cc1ccc(I)c(I)c1 PI-26672 [2,0,0,0,0,0|2,0,0]=4 194 B10R1.176 O=Cc1ccc(O)c(O)c1 PI-10046 [2,0,0,0,0,0|0,0,0]=2 195 B10R1.176 O=Cc1ccc(c(c1)Cl)Cl PI-18774 [2,0,0,0,0,0|2,0,0]=4 196 B10R1.176 O=Cc1ccc(c(c1)F)Br PI-10449 [2,0,0,0,0,0|2,0,0]=4 197 B10R1.176 O=Cc1ccc(c(c1)O)C PI-27720 [2,0,0,0,0,0|0,0,0]=2 198 B10R1.172 BrCc1cccc(C=O)c1 PI-26927 [2,0,0,0,0,0|2,0,0]=4 199 B10R1.172 C1=CC(=CC(=C1)C#N)C=O PI-24269 [2,0,0,0,0,0|2,0,0]=4 200 B10R1.172 C=Cc1cccc(c1)C=O PI-27316 [2,0,0,0,0,0|1,0,1]=4 201 B10R1.172 COC1=CC(=CC=C1)OC PI-35273 [2,0,0,0,0,0|2,0,0]=4 202 B10R1.172 COC1=CC=CC(=C1)C#N PI-31072 [2,0,0,0,0,0|1,0,1]=4 203 B10R1.172 COC1=CC=CC(=C1)CBr PI-49400 [2,0,0,0,0,0|1,0,1]=4 204 B10R1.172 COC1=CC=CC(=C1)CN PI-31714 [2,0,0,0,0,0|1,0,1]=4 205 B10R1.172 COC1=CC=CC(=C1)NN PI-29546 [2,0,0,0,0,0|2,0,0]=4 206 B10R1.172 COc1cccc(c1)C=O PI-32570 [2,0,0,0,0,0|0,0,0]=2 207 B10R1.172 COc1cccc(n1)C=O PI-26723 [2,0,0,0,0,0|1,0,0]=3 208 B10R1.172 ClCc1cccc(c1)OC PI-32021 [2,0,0,0,0,0|1,0,1]=4 209 B10R1.172 O=CC1=CC(OC)=CN=C1 PI-37016 [2,0,0,0,0,0|1,0,0]=3 210 B10R1.172 O=Cc1cccc(c1)C=O PI-16456 [2,0,0,0,0,0|2,0,0]=4 211 B10R1.172 O=Cc1cccc(c1)C=O PI-18771 [2,0,0,0,0,0|2,0,0]=4 212 B10R1.172 OCc1cccc(c1)OC PI-31272 [2,0,0,0,0,0|0,0,2]=4 213 B12R1.46 CC(=O)C1=C(C=CC(=C1)Cl)OC PI-30816 [1,1,0,0,0,0|2,0,0]=4 214 B12R1.46 CC(=O)C1=C(C=CC(=C1)F)OC PI-30626 [1,1,0,0,0,0|2,0,0]=4 215 B12R1.46 COc1ccc(Br)cc1C(=O)C PI-21551 [1,1,0,0,0,0|2,0,0]=4 216 B12R1.57 CC(=O)C1=C(C=C(C=C1)F)OC PI-27655 [1,1,0,0,0,0|2,0,0]=4 217 B12R1.268 COC1=C(C=C(C=C1)Br)CCN PI-21559 [1,1,0,0,0,0|2,0,0]=4 218 B12R1.448 CC1=CC(=C(C=C1N)OC)OC PI-23246 [1,1,0,0,0,0|0,0,1]=3 219 B12R1.448 COC1=C(C=C(C(=C1)N)N)OC PI-17531 [1,1,0,0,0,0|1,0,0]=3 220 B12R1.448 COC1=C(C=C(C(=C1)N)N)OC PI-49018 [1,1,0,0,0,0|1,0,0]=3 221 B12R1.652 COc1ccn(=O)c(C)c1OC PI-12260 [1,1,0,0,0,0|1,0,0]=3 222 B12R1.48 B(C1=CC(=C(C=C1)OC)C)(O)O PI-19231 [1,1,0,0,0,0|1,0,1]=4 223 B12R1.48 CC(=O)C1=CC(=C(C=C1)OC)Cl PI-30545 [1,1,0,0,0,0|1,0,0]=3 224 B12R1.48 CC(=O)C1=CC(=C(C=C1)OC)I PI-30933 [1,1,0,0,0,0|1,0,0]=3 225 B12R1.48 CC1=C(C=CC(=C1)[N+](=O)[O-])NC PI-26043 [1,1,0,0,0,0|2,0,0]=4 226 B12R1.48 CC1=CC(=CN=C1OC)[N+](=O)[O-] PI-33752 [1,1,0,0,0,0|2,0,0]=4 227 B12R1.48 CCC1=C(C=C(C=C1)C(=O)O)O PI-27034 [1,1,0,0,0,0|1,0,0]=3 228 B12R1.48 COC1=C(C=C(C=C1)C(=O)Cl)F PI-23716 [1,1,0,0,0,0|1,0,0]=3 229 B12R1.48 COC1=C(C=C(C=C1)C(=O)N)N PI-11538 [1,1,0,0,0,0|1,0,0]=3 230 B12R1.48 COC1=C(C=C(C=C1)C(=O)O)Br PI-30998 [1,1,0,0,0,0|1,0,0]=3 231 B12R1.48 COC1=C(C=C(C=C1)C(=O)O)F PI-13362 [1,1,0,0,0,0|1,0,0]=3 232 B12R1.48 COC1=C(C=C(C=C1)C(=O)O)N PI-30426 [1,1,0,0,0,0|1,0,0]=3 233 B12R1.48 COC1=C(C=C(C=C1)C(=O)O)O PI-10869 [1,1,0,0,0,0|0,0,0]=2 234 B12R1.48 COC1=C(C=C(C=C1)[N+](=O)[O-])Br PI-22191 [1,1,0,0,0,0|2,0,0]=4 235 B12R1.48 COC1=C(C=C(C=C1)[N+](=O)[O-])Cl PI-29624 [1,1,0,0,0,0|2,0,0]=4 236 B12R1.48 COC1=C(C=C(C=C1)[N+](=O)[O-])F PI-28551 [1,1,0,0,0,0|2,0,0]=4 237 B12R1.48 COC1=C(C=C(C=C1)[N+](=O)[O-])[O-] PI-27834 [1,1,0,0,0,0|1,0,1]=4 238 B12R1.48 COC1=C(C=C(C=N1)C(=O)O)F PI-50022 [1,1,0,0,0,0|2,0,0]=4 239 B12R1.48 COc1ccc(cc1Br)C(=O)C PI-21565 [1,1,0,0,0,0|1,0,0]=3 240 B12R1.48 COc1ccc(cc1Cl)C(=O)O PI-30550 [1,1,0,0,0,0|1,0,0]=3 241 B12R1.48 COc1ccc(cc1F)C(=O)C PI-16157 [1,1,0,0,0,0|1,0,0]=3 242 B12R1.48 COc1ccc(cc1I)[N+](=O)[O-] PI-13703 [1,1,0,0,0,0|2,0,0]=4 243 B12R1.48 COc1ccc(cc1O)[N+](=O)[O-] PI-15695 [1,1,0,0,0,0|1,0,0]=3 244 B12R1.48 COc1ccc(nc1Br)C(=O)O PI-38347 [1,1,0,0,0,0|2,0,0]=4 245 B12R1.48 O=C(O)C1=CC=C(C=O)C(O)=C1 PI-33362 [1,1,0,0,0,0|2,0,0]=4 246 B12R1.114 CCOC1=C(C=C(C=C1)C=O)F PI-26661 [1,1,0,0,0,0|1,0,0]=3 247 B12R1.288 C=CCc1ccc(OC)c(F)c1 PI-23724 [1,1,0,0,0,0|2,0,0]=4 248 B12R1.288 COC1=C(C=C(C=C1)N=C=O)Cl PI-26527 [1,1,0,0,0,0|1,0,1]=4 249 B12R1.288 NCCc1ccc(OC)c(O)c1 PI-20793 [1,1,0,0,0,0|1,0,1]=4 250 B12R1.301 CC1=CC(=CC(=C1OC)C)C=O PI-23874 [1,1,0,0,0,0|0,0,0]=2 251 B12R1.301 COC1=C(C=C(C=C1Cl)C=O)Cl PI-21050 [1,1,0,0,0,0|1,0,0]=3 252 B12R1.301 COC1=C(C=C(C=C1F)C=O)F PI-26834 [1,1,0,0,0,0|1,0,0]=3 253 B12R1.450 C1=C(C(=CC(=C1O)C=O)O)C=O PI-48086 [1,1,0,0,0,0|2,0,0]=4 254 B12R1.450 CC1=CC(=C(C=C1OC)Br)OC PI-35453 [1,1,0,0,0,0|2,0,0]=4 255 B12R1.450 CC1=CC(=C(C=C1OC)I)OC PI-21290 [1,1,0,0,0,0|2,0,0]=4 256 B12R1.450 COc1cc(Br)c(cc1O)C=O PI-28353 [1,1,0,0,0,0|0,0,0]=2 257 B12R1.450 COc1cc(C)c(C=O)cc1C PI-27837 [1,1,0,0,0,0|0,0,0]=2 258 B12R1.452 O=Cc1ccc([N+](=O)[O-])c(C)c1 PI-32270 [1,1,0,0,0,0|2,0,0]=4 259 B12R1.452 O=Cc1ccc(c(c1)O)[N+](=O)[O-] PI-11927 [1,1,0,0,0,0|2,0,0]=4 260 B12R1.653 COC1=C(C(=C(C=C1)C=O)Br)O PI-27439 [1,1,0,0,0,0|0,0,0]=2 261 B12R1.653 COC1=C(C(=C(C=C1)C=O)Cl)O PI-27536 [1,1,0,0,0,0|0,0,0]=2 262 B12R1.653 COc1ccc(C=O)c(C)c1C PI-27548 [1,1,0,0,0,0|0,0,0]=2 263 B12R1.56 B(C1=CC(=C(C=C1)C)OC)(O)O PI-49932 [1,1,0,0,0,0|1,0,1]=4 264 B12R1.56 CC(=O)C1=CC(=C(C=C1)F)OC PI-30823 [1,1,0,0,0,0|1,0,0]=3 265 B12R1.56 CC(=O)C1=CC(=C(C=C1)O)CCl PI-16156 [1,1,0,0,0,0|2,0,0]=4 266 B12R1.56 CC1=C(C=C(C=C1)C(=O)O)C#C PI-44792 [1,1,0,0,0,0|1,0,1]=4 267 B12R1.56 CC1=C(C=C(C=C1)C(=O)O)C=O PI-43250 [1,1,0,0,0,0|2,0,0]=4 268 B12R1.56 CC1=C(C=C(C=C1)[N+](=O)[O-])OC PI-12157 [1,1,0,0,0,0|1,0,0]=3 269 B12R1.56 COC1=C(C=CC(=C1)C(=O)O)F PI-34251 [1,1,0,0,0,0|1,0,0]=3 270 B12R1.56 COC1=C(C=CC(=C1)[N+](=O)[O-])Cl PI-20188 [1,1,0,0,0,0|2,0,0]=4 271 B12R1.56 COC1=C(C=CC(=C1)[N+](=O)[O-])F PI-34250 [1,1,0,0,0,0|2,0,0]=4 272 B12R1.56 COC1=C(C=CC(=C1)[N+](=O)[O-])I PI-29688 [1,1,0,0,0,0|2,0,0]=4 273 B12R1.56 COC1=C(C=CC(=C1)[N+](=O)[O-])O PI-27481 [1,1,0,0,0,0|1,0,0]=3 274 B12R1.56 COc1cc(ccc1Br)C(=O)O PI-35857 [1,1,0,0,0,0|1,0,0]=3 275 B12R1.56 COc1cc(ccc1Br)[N+](=O)[O-] PI-29916 [1,1,0,0,0,0|2,0,0]=4 276 B12R1.56 COc1cc(ccc1Cl)C(=O)O PI-27953 [1,1,0,0,0,0|1,0,0]=3 277 B12R1.56 COc1cc(ccc1N)C(=O)O PI-30375 [1,1,0,0,0,0|1,0,0]=3 278 B12R1.56 COc1cc(ccc1N)[N+](=O)[O-] PI-32439 [1,1,0,0,0,0|2,0,0]=4 279 B12R1.56 COc1cc(ccc1O)C(=O)O PI-31895 [1,1,0,0,0,0|0,0,0]=2 280 B12R1.56 O=C(C1=CC=C(O)C(OC)=C1)C PI-46830 [1,1,0,0,0,0|0,0,0]=2 281 B12R1.56 O=C(O)C1=CC=C(C)C(OC)=C1 PI-10102 [1,1,0,0,0,0|0,0,0]=2 282 B12R1.56 O=Cc1cc(ccc1O)C(=O)O PI-38270 [1,1,0,0,0,0|2,0,0]=4 283 B12R1.286 CC1=C(C=C(C=C1)CC#N)OC PI-35269 [1,1,0,0,0,0|1,0,1]=4 284 B12R1.286 COC1=C(C=CC(=C1)C=NO)O PI-27429 [1,1,0,0,0,0|0,0,1]=3 285 B12R1.286 COC1=C(C=CC(=C1)CCN)O PI-20794 [1,1,0,0,0,0|1,0,1]=4 286 B12R1.286 OCCc1ccc(c(c1)OC)O PI-27378 [1,1,0,0,0,0|0,0,2]=4 287 B12R1.300 COC1=C(C(=CC(=C1)C=O)Br)O PI-18444 [1,1,0,0,0,0|0,0,0]=2 288 B12R1.300 COC1=C(C(=CC(=C1)C=O)I)O PI-27693 [1,1,0,0,0,0|0,0,0]=2 289 B12R1.300 COC1=CC(=CC(=C1O)O)C=O PI-18518 [1,1,0,0,0,0|0,0,0]=2 290 B12R1.300 COc1cc(C=O)cc(Cl)c1O PI-27306 [1,1,0,0,0,0|0,0,0]=2 291 B12R1.300 COc1cc(C=O)cc(F)c1O PI-27919 [1,1,0,0,0,0|0,0,0]=2 292 B12R1.449 COC1=C(C=C(C(=C1)C=O)Br)O PI-27776 [1,1,0,0,0,0|0,0,0]=2 293 B12R1.449 COC1=C(C=C(C(=C1)C=O)F)Cl PI-48251 [1,1,0,0,0,0|1,0,0]=3 294 B12R1.453 CC1=C(C=C(C=C1)C=O)[N+](=O)[O-] PI-24316 [1,1,0,0,0,0|2,0,0]=4 295 B12R1.453 O=Cc1ccc(c(c1)[N+](=O)[O-])O PI-20825 [1,1,0,0,0,0|2,0,0]=4 296 B14R1.43 COC1=C(C=CC(=C1)C(=O)O)[N+](=O)[O-] PI-28594 [0,2,0,0,0,0|2,0,0]=4 297 B14R1.43 COc1cc(ccc1[N+](=O)[O-])C(=O)C PI-18349 [0,2,0,0,0,0|2,0,0]=4 298 B14R1.2334 COC1=CC(=C(C=C1)C(=O)OC)OC PI-24237 [0,2,0,0,0,0|2,0,0]=4 299 B14R1.441 CCOC1=C(C=CC(=C1)C(=O)O)OC PI-29418 [0,2,0,0,0,0|0,0,0]=2 300 B14R1.759 COC1=C(C=C(C=C1)C=O)OCC#C PI-27184 [0,2,0,0,0,0|0,0,0]=2 301 B14R1.759 COC1=C(C=C(C=C1)C=O)OCC=C PI-27279 [0,2,0,0,0,0|0,0,0]=2 302 B14R1.2315 COC1=C(C=C(C=C1)C=O)C(=O)OC PI-41108 [0,2,0,0,0,0|0,0,0]=2 303 B14R1.5236 CCOC1=C(C=C(C=C1)C=O)OCC PI-10870 [0,2,0,0,0,0|0,0,0]=2 304 B14R1.5236 CCOC1=C(C=C(C=C1)CO)OCC PI-32415 [0,2,0,0,0,0|0,0,2]=4 305 B14R1.793 CNCCC1=CC(=C(C=C1)OC)OC PI-32917 [0,2,0,0,0,0|1,0,1]=4 306 B14R1.793 COC1=C(C=C(C=C1)CN=C=S)OC PI-23206 [0,2,0,0,0,0|0,1,1]=4 307 B14R1.1864 BrCC(=O)c1ccc(OC)c(OC)c1 PI-21665 [0,2,0,0,0,0|0,0,0]=2 308 B14R1.1864 COC1=C(C=C(C=C1)C(=O)NN)OC PI-23189 [0,2,0,0,0,0|0,0,0]=2 309 B14R1.1864 COC1=C(C=CC(=C1)C(=O)OC)C=O PI-44122 [0,2,0,0,0,0|2,0,0]=4 310 B14R1.1864 COC1=C(C=CC(=C1)C(=O)OC)CBr PI-22126 [0,2,0,0,0,0|2,0,0]=4 311 B14R1.3651 CC(=O)CC1=CC(=C(C=C1)OC)OC PI-12160 [0,2,0,0,0,0|0,0,0]=2 312 B14R1.3651 COC1=C(C=C(C=C1)CC(=O)Cl)OC PI-30039 [0,2,0,0,0,0|0,0,0]=2 313 B14R1.3651 COC1=C(C=C(C=C1)CC(=S)N)OC PI-23351 [0,2,0,0,0,0|0,1,0]=3 314 B14R1.3651 COC1=C(C=C(C=C1)N=C(N)N)OC PI-47268 [0,2,0,0,0,0|1,0,0]=3 315 B14R1.3651 COc1cc(ccc1OC)CC(=O)O PI-32560 [0,2,0,0,0,0|0,0,0]=2 316 B14R1.14946 COC1=C(C=C(C(=C1)CC#N)Br)OC PI-21661 [0,2,0,0,0,0|1,0,1]=4 317 B14R1.576 COc1cc(C=O)cc(c1OC)OC PI-32436 [0,2,0,0,0,0|0,0,0]=2 318 B14R1.576 COc1cc(CN)cc(c1OC)OC PI-38557 [0,2,0,0,0,0|1,0,1]=4 319 B14R1.576 COc1cc(CO)cc(c1OC)OC PI-35235 [0,2,0,0,0,0|0,0,2]=4 320 B14R1.101 CC(=O)OC1=C(C=C(C=C1)C=O)OC PI-26962 [0,2,0,0,0,0|0,0,0]=2 321 B14R1.101 COC1=C(C=CC(=C1)C=O)OC(F)F PI-27224 [0,2,0,0,0,0|0,0,0]=2 322 B14R1.1355 CCCOC1=C(C=C(C=C1)C=O)OC PI-27726 [0,2,0,0,0,0|0,0,0]=2 323 B14R1.1355 COC1=C(C=CC(=C1)C=O)OCC#C PI-27708 [0,2,0,0,0,0|0,0,0]=2 324 B14R1.5237 CCOc1ccc(cc1B(O)O)C=O PI-38224 [0,2,0,0,0,0|2,0,0]=4 325 B14R1.1851 CC(=O)C1=CC(=C(C=C1N)OC)OC PI-29580 [0,2,0,0,0,0|0,0,0]=2 326 B14R1.1851 CC(=O)C1=CC(=C(C=C1O)OC)OC PI-29319 [0,2,0,0,0,0|0,0,0]=2 327 B14R1.1851 COC1=C(C=C(C(=C1)C(=O)O)I)OC PI-23243 [0,2,0,0,0,0|0,0,0]=2 328 B14R1.1851 COc1cc(C(=O)N)c(cc1OC)N PI-39392 [0,2,0,0,0,0|0,0,0]=2 329 B14R1.1851 COc1cc(C(=O)O)c(cc1OC)Br PI-21656 [0,2,0,0,0,0|0,0,0]=2 330 B14R1.1851 COc1cc(C(=O)O)c(cc1OC)N PI-10211 [0,2,0,0,0,0|0,0,0]=2 331 B14R1.2282 COC1=CC(=C(C=C1OC)OC)OC PI-47186 [0,2,0,0,0,0|2,0,0]=4 332 B14R1.2282 COc1cc(C=O)c(cc1OC)OC PI-10208 [0,2,0,0,0,0|0,0,0]=2 333 B14R1.2023 CC(=O)C1=C(C(=C(C=C1)OC)OC)O PI-29677 [0,2,0,0,0,0|0,0,0]=2 334 B14R1.2023 COC1=C(C(=C(C=C1)C(=O)N)Cl)OC PI-30221 [0,2,0,0,0,0|0,0,0]=2 335 B14R1.2310 COC1=C(C(=C(C=C1)C#N)OC)OC PI-30614 [0,2,0,0,0,0|1,0,1]=4 336 B14R1.2310 COC1=C(C(=C(C=C1)C=O)OC)OC PI-16095 [0,2,0,0,0,0|0,0,0]=2 337 B14R1.31 CC(=O)C1=CC(=C(C=C1)OC)[N+](=O)[O-] PI-18772 [0,2,0,0,0,0|2,0,0]=4 338 B14R1.31 COC1=C(C=C(C=C1)C(=O)N)[N+](=O)[O-] PI-30043 [0,2,0,0,0,0|2,0,0]=4 339 B14R1.3720 COC1=C(C=C(C=C1)C=O)C(F)(F)F PI-27650 [0,2,0,0,0,0|2,0,0]=4 340 B14R1.3720 COC1=C(C=C(C=C1)C=O)S(=O)(=O)N PI-43108 [0,2,0,0,0,0|1,1,0]=4 341 B14R1.3720 COC1=C(C=C(C=C1)C=O)S(=O)(=O)[O-] PI-27685 [0,2,0,0,0,0|1,1,0]=4 342 B14R1.3654 COC1=C(C=C(C=C1)S(=O)(=O)Cl)OC PI-29368 [0,2,0,0,0,0|1,0,0]=3 343 B12R1.608 CN1C=C(C=C1C(=O)OC)C=O PI-31683 [0,0,1,1,0,0|2,0,0]=4 344 B12R2.24 C1COC2=C(N1)C=C(C=C2)O PI-49017 [1,0,0,1,0,0|1,0,1]=4 345 B12R2.24 C1COC2=C(O1)C=CC(=C2)Br PI-28606 [1,0,0,1,0,0|1,0,0]=3 346 B12R2.24 Nc1ccc2c(c1)OCCO2 PI-33749 [1,0,0,1,0,0|1,0,0]=3 347 B12R2.44 C#Cc1ccc2c(c1)OCO2 PI-38731 [1,0,0,1,0,0|1,0,1]=4 348 B12R2.44 C1=CC2=C(C=C1C=O)OC=N2 PI-50074 [1,0,0,1,0,0|1,0,1]=4 349 B12R2.44 C1=CC2=C(C=CO2)C=C1C=O PI-19018 [1,0,0,1,0,0|0,0,2]=4 350 B12R2.44 C1COC2=C1C=C(C=C2)C=O PI-21253 [1,0,0,1,0,0|0,0,0]=2 351 B12R2.44 C1COC2=C1C=C(C=C2)CN PI-17657 [1,0,0,1,0,0|1,0,1]=4 352 B12R2.44 C1COC2=C1C=C(C=C2)CO PI-19102 [1,0,0,1,0,0|0,0,2]=4 353 B12R2.44 C1OC2=C(O1)C=C(C=C2)CCl PI-32417 [1,0,0,1,0,0|1,0,1]=4 354 B12R2.44 C=CC1=CC2=C(C=C1)OCO2 PI-49743 [1,0,0,1,0,0|1,0,0]=3 355 B12R2.44 N#Cc1ccc2c(c1)OCO2 PI-12788 [1,0,0,1,0,0|1,0,1]=4 356 B12R2.44 O=CC1=CC=C2OC=NC2=C1 PI-46719 [1,0,0,1,0,0|1,0,1]=4 357 B12R2.44 OCc1ccc2OCOc2c1 PI-32416 [1,0,0,1,0,0|0,0,2]=4 358 B14R2.82 COC1=C(C=C2C(=C1)NC=N2)OC PI-21285 [0,1,0,1,0,0|1,0,0]=3 359 B14R2.82 COc1cc2NCCc2cc1OC PI-36005 [0,1,0,1,0,0|1,0,1]=4 360 B14R2.82 COc1cc2[nH]ccc2cc1OC PI-23240 [0,1,0,1,0,0|1,0,0]=3 361 B14R2.112 C1COC2=C(O1)C=CC(=C2)N=C=O PI-26021 [0,1,0,1,0,0|0,0,1]=3 362 B14R2.1238 COC1=C(C2=C(C=C1)C=CN2)OC PI-45743 [0,1,0,1,0,0|1,0,0]=3 363 B14R2.1101 COc1cc(C=O)cc2c1OCO2 PI-27022 [0,1,0,1,0,0|0,0,0]=2 364 B14R2.781 B(C1=CC2=C(C=C1)OCCO2)(O)O PI-21247 [0,1,0,1,0,0|1,0,1]=4 365 B14R2.781 C1COC2=C(O1)C=CC(=C2)C(=O)Cl PI-21245 [0,1,0,1,0,0|0,0,0]=2 366 B14R2.781 C1COC2=C(O1)C=CC(=C2)[N+](=O)[O-] PI-19181 [0,1,0,1,0,0|1,0,0]=3 367 B14R2.781 CC(=O)C1=CC2=C(C=C1)OCCO2 PI-29436 [0,1,0,1,0,0|0,0,0]=2 368 B14R2.781 CC(=O)C1=CC2=C(CCCC2)C=C1 PI-18900 [0,1,0,1,0,0|2,0,0]=4 369 B12R1.1879 COC1=C(C(=NC=C1)CCl)OC PI-11824 [0,0,0,0,1,1|1,0,1]=4 370 B12R1.1879 COC1=C(C(=NC=C1)CCl)OC PI-16735 [0,0,0,0,1,1|1,0,1]=4 371 B12R1.1879 COC1=CC=CC(=C1OC)C#N PI-23192 [0,0,0,0,1,1|1,0,1]=4 372 B12R1.1879 COC1=CC=CC(=C1OC)C=O PI-11730 [0,0,0,0,1,1|0,0,0]=2 373 B12R1.1879 COc1c(OC)cccc1OC PI-33041 [0,0,0,0,1,1|2,0,0]=4 374 B12R1.1879 COc1c(OC)ccnc1CO PI-11628 [0,0,0,0,1,1|0,0,2]=4 375 B12R1.1879 NCC1=CC=CC(OC)=C1OC PI-30009 [0,0,0,0,1,1|1,0,1]=4 376 B12R1.58 COC1=CC(=CC(=C1)C#C)OC PI-48351 [0,0,0,0,1,1|1,0,1]=4 377 B12R1.58 COC1=CC(=CC(=C1)C#N)OC PI-16134 [0,0,0,0,1,1|1,0,1]=4 378 B12R1.58 COC1=CC(=CC(=C1)CO)OC PI-31277 [0,0,0,0,1,1|0,0,2]=4 379 B12R1.58 COC1=CC(OC)=CC(CCl)=C1 PI-23198 [0,0,0,0,1,1|1,0,1]=4 380 B12R1.58 COc1cc(OC)cc(c1)C=O PI-16093 [0,0,0,0,1,1|0,0,0]=2 381 B12R1.58 COc1cc(OC)cc(c1)OC PI-11233 [0,0,0,0,1,1|2,0,0]=4 382 B12R1.58 NCc1cc(OC)cc(c1)OC PI-30510 [0,0,0,0,1,1|1,0,1]=4