0 B11R1.279 C1=CC(=C(C=C1C#N)F)C=O C179065 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.279 C1=CC(=C(C=C1C#N)O)C=O F590287 [0,0,0,0,0,0|2,0,0]=2 2 B11R1.279 C1=CC(=C(C=C1C=O)O)C=O H304508 [0,0,0,0,0,0|2,0,0]=2 3 B11R1.279 CC1=C(C=CC(=C1)C#N)C=O F588526 [0,0,0,0,0,0|3,0,0]=3 4 B11R1.279 CC1=C(C=CC(=C1)OC)C=O M124189 [0,0,0,0,0,0|1,0,0]=1 5 B11R1.279 CC1=C(C=CC(=C1)OC)OC D155374 [0,0,0,0,0,0|3,0,0]=3 6 B11R1.279 COC1=C(C=C(C=C1)C#N)O H184992 [0,0,0,0,0,0|4,0,0]=4 7 B11R1.279 COC1=C(C=C(C=C1)C=O)O I113433 [0,0,0,0,0,0|4,0,0]=4 8 B11R1.279 COC1=C(C=C(C=C1)CN)O H170289 [0,0,0,0,0,0|4,0,0]=4 9 B11R1.279 COC1=C(C=C(C=C1)CO)O I157468 [0,0,0,0,0,0|4,0,0]=4 10 B11R1.279 COC1=CC(=C(C=C1)C#N)Br B181430 [0,0,0,0,0,0|2,0,1]=3 11 B11R1.279 COC1=CC(=C(C=C1)C#N)Cl C180973 [0,0,0,0,0,0|2,0,1]=3 12 B11R1.279 COC1=CC(=C(C=C1)C#N)F F122746 [0,0,0,0,0,0|2,0,1]=3 13 B11R1.279 COC1=CC(=C(C=C1)C#N)N A184197 [0,0,0,0,0,0|2,0,1]=3 14 B11R1.279 COC1=CC(=C(C=C1)C=O)Br B134162 [0,0,0,0,0,0|1,0,0]=1 15 B11R1.279 COC1=CC(=C(C=C1)C=O)Cl C589430 [0,0,0,0,0,0|1,0,0]=1 16 B11R1.279 COC1=CC(=C(C=C1)C=O)F F120910 [0,0,0,0,0,0|1,0,0]=1 17 B11R1.279 COC1=CC(=C(C=C1)C=O)O H106333 [0,0,0,0,0,0|0,0,0]=0 18 B11R1.279 COC1=CC(=C(C=C1)C=O)O H425389 [0,0,0,0,0,0|0,0,0]=0 19 B11R1.279 COC1=CC(=C(C=C1)N=O)O N159106 [0,0,0,0,0,0|1,0,0]=1 20 B11R1.279 COC1=CC(=C(C=C1)OC)Br B101643 [0,0,0,0,0,0|3,0,0]=3 21 B11R1.279 COC1=CC(=C(C=C1)OC)Cl C132830 [0,0,0,0,0,0|3,0,0]=3 22 B11R1.279 COC1=CC(=C(C=C1)OC)F D123994 [0,0,0,0,0,0|3,0,0]=3 23 B11R1.279 COC1=CC(=C(C=C1)OC)N D111647 [0,0,0,0,0,0|3,0,0]=3 24 B11R1.279 COC1=CC(=C(C=C1)OC)O D191676 [0,0,0,0,0,0|2,0,0]=2 25 B11R1.279 COC1=CC(=C(C=C1)OC)S D101795 [0,0,0,0,0,0|2,1,0]=3 26 B11R1.279 CSC1=NC=C(C(=N1)Cl)C=O C174338 [0,0,0,0,0,0|3,1,0]=4 27 B11R1.279 CSC1=NC=C(C(=N1)N)C=O A177409 [0,0,0,0,0,0|3,1,0]=4 28 B10R1.3 C#CC1=CC=C(C=C1)C=O E139128 [1,0,0,0,0,0|1,0,1]=3 29 B10R1.3 C1=CC(=CC=C1C=O)C#N F100751 [1,0,0,0,0,0|2,0,0]=3 30 B10R1.3 C1=CC(=CC=C1C=O)C=O P105980 [1,0,0,0,0,0|2,0,0]=3 31 B10R1.3 C1=CC(=CC=C1CBr)C=O B184885 [1,0,0,0,0,0|2,0,0]=3 32 B10R1.3 C1=CC(=CC=C1CCl)C=O C194802 [1,0,0,0,0,0|2,0,0]=3 33 B10R1.3 C1=CC(=CC=C1CO)C=O H193722 [1,0,0,0,0,0|2,0,0]=3 34 B10R1.3 C1=CC(=CC=C1NO)N=O B101359 [1,0,0,0,0,0|3,0,0]=4 35 B10R1.3 C1=CC(=NC=C1C=O)C#N F181154 [1,0,0,0,0,0|3,0,0]=4 36 B10R1.3 C=CC1=CC=C(C=C1)C#N C478980 [1,0,0,0,0,0|3,0,0]=4 37 B10R1.3 C=CC1=CC=C(C=C1)C=C P466823 [1,0,0,0,0,0|2,0,1]=4 38 B10R1.3 C=CC1=CC=C(C=C1)C=O V587715 [1,0,0,0,0,0|1,0,1]=3 39 B10R1.3 C=CC1=CC=C(C=C1)CCl V141224 [1,0,0,0,0,0|3,0,0]=4 40 B10R1.3 C=CC1=CC=C(C=C1)CCl V592268 [1,0,0,0,0,0|3,0,0]=4 41 B10R1.3 C=CC1=CC=C(C=C1)CN V123986 [1,0,0,0,0,0|3,0,0]=4 42 B10R1.3 CCC1=CC=C(C=C1)C#C E115541 [1,0,0,0,0,0|2,0,1]=4 43 B10R1.3 CCC1=CC=C(C=C1)C#N E169049 [1,0,0,0,0,0|2,0,1]=4 44 B10R1.3 CCC1=CC=C(C=C1)C=O E102795 [1,0,0,0,0,0|1,0,0]=2 45 B10R1.3 CCC1=CC=C(C=C1)CC D107652 [1,0,0,0,0,0|2,0,1]=4 46 B10R1.3 CCC1=CC=C(C=C1)CC D107653 [1,0,0,0,0,0|2,0,1]=4 47 B10R1.3 CCC1=CC=C(C=C1)CCl E299918 [1,0,0,0,0,0|2,0,1]=4 48 B10R1.3 CCC1=CC=C(C=C1)CCl E399766 [1,0,0,0,0,0|2,0,1]=4 49 B10R1.3 CCC1=CC=C(C=C1)CO E156110 [1,0,0,0,0,0|1,0,2]=4 50 B10R1.3 CCC1=CC=C(C=C1)NN E185066 [1,0,0,0,0,0|3,0,0]=4 51 B10R1.3 CCC1=CC=C(C=C1)OC E137475 [1,0,0,0,0,0|1,0,1]=3 52 B10R1.3 CNC1=CC=C(C=C1)C#N M184657 [1,0,0,0,0,0|2,0,1]=4 53 B10R1.3 CNC1=CC=C(C=C1)OC I133933 [1,0,0,0,0,0|2,0,0]=3 54 B10R1.3 COC1=CC=C(C=C1)C#C M111332 [1,0,0,0,0,0|1,0,1]=3 55 B10R1.3 COC1=CC=C(C=C1)C#N M111093 [1,0,0,0,0,0|1,0,1]=3 56 B10R1.3 COC1=CC=C(C=C1)C=C M103131 [1,0,0,0,0,0|1,0,0]=2 57 B10R1.3 COC1=CC=C(C=C1)C=O A108955 [1,0,0,0,0,0|0,0,0]=1 58 B10R1.3 COC1=CC=C(C=C1)C=O A108956 [1,0,0,0,0,0|0,0,0]=1 59 B10R1.3 COC1=CC=C(C=C1)C=O A108957 [1,0,0,0,0,0|0,0,0]=1 60 B10R1.3 COC1=CC=C(C=C1)C=O A108958 [1,0,0,0,0,0|0,0,0]=1 61 B10R1.3 COC1=CC=C(C=C1)C=O P421001 [1,0,0,0,0,0|0,0,0]=1 62 B10R1.3 COC1=CC=C(C=C1)CCl M491599 [1,0,0,0,0,0|1,0,1]=3 63 B10R1.3 COC1=CC=C(C=C1)CN M123767 [1,0,0,0,0,0|1,0,1]=3 64 B10R1.3 COC1=CC=C(C=C1)CO M107568 [1,0,0,0,0,0|0,0,2]=3 65 B10R1.3 COC1=CC=C(C=C1)CS M101790 [1,0,0,0,0,0|0,1,1]=3 66 B10R1.3 COC1=CC=C(C=C1)CS M414622 [1,0,0,0,0,0|0,1,1]=3 67 B10R1.3 COC1=CC=C(C=C1)OC D104711 [1,0,0,0,0,0|2,0,0]=3 68 B10R1.3 COC1=CC=C(C=C1)OC D137778 [1,0,0,0,0,0|2,0,0]=3 69 B10R1.3 COC1=CC=C(C=C1)SC M101846 [1,0,0,0,0,0|2,0,0]=3 70 B10R1.3 COC1=CC=C(C=C1)[N+]#N M123217 [1,0,0,0,0,0|2,0,0]=3 71 B10R1.3 COC1=CC=C(C=C1)[N+]#[C-] M165558 [1,0,0,0,0,0|2,0,0]=3 72 B10R1.3 COC1=CN=C(C=C1)C#N M178084 [1,0,0,0,0,0|2,0,1]=4 73 B10R1.3 COC1=CN=C(C=C1)C=O M182921 [1,0,0,0,0,0|1,0,0]=2 74 B10R1.3 COC1=CN=C(C=C1)CO M190450 [1,0,0,0,0,0|1,0,2]=4 75 B10R1.3 COC1=NC=C(C=C1)C#N M167622 [1,0,0,0,0,0|2,0,1]=4 76 B10R1.3 COC1=NC=C(C=C1)C=O M115769 [1,0,0,0,0,0|1,0,0]=2 77 B10R1.3 COC1=NC=C(C=C1)CN M177670 [1,0,0,0,0,0|2,0,1]=4 78 B10R1.3 COC1=NC=C(C=C1)CO M176865 [1,0,0,0,0,0|1,0,2]=4 79 B10R1.3 COC1=NC=C(C=N1)C=O F337248 [1,0,0,0,0,0|2,0,0]=3 80 B10R1.3 CSC1=CC=C(C=C1)C#N M101849 [1,0,0,0,0,0|1,1,1]=4 81 B10R1.3 CSC1=CC=C(C=C1)C=O P133663 [1,0,0,0,0,0|0,1,0]=2 82 B10R1.3 CSC1=CC=C(C=C1)CCl M101851 [1,0,0,0,0,0|1,1,1]=4 83 B10R1.3 CSC1=CC=C(C=C1)CO M101850 [1,0,0,0,0,0|0,1,2]=4 84 B10R1.3 CSC1=NC=C(C=N1)C=O M178139 [1,0,0,0,0,0|2,1,0]=4 85 B10R1.25 C1=C(C(=CN=C1Cl)C=O)Cl D586277 [1,0,0,0,0,0|3,0,0]=4 86 B10R1.25 C1=C(C(=CN=C1Cl)C=O)N A586085 [1,0,0,0,0,0|3,0,0]=4 87 B10R1.25 C1=C(C=NC(=C1N)C=O)Br A173233 [1,0,0,0,0,0|3,0,0]=4 88 B10R1.25 C1=CC(=C(C=C1Br)Cl)C=O B132006 [1,0,0,0,0,0|2,0,0]=3 89 B10R1.25 C1=CC(=C(C=C1Br)F)C=O B113798 [1,0,0,0,0,0|2,0,0]=3 90 B10R1.25 C1=CC(=C(C=C1Br)O)C#N B124037 [1,0,0,0,0,0|2,0,1]=4 91 B10R1.25 C1=CC(=C(C=C1Br)O)C=O B124175 [1,0,0,0,0,0|1,0,0]=2 92 B10R1.25 C1=CC(=C(C=C1Cl)Br)C=O B177580 [1,0,0,0,0,0|2,0,0]=3 93 B10R1.25 C1=CC(=C(C=C1Cl)Cl)C=O D100690 [1,0,0,0,0,0|2,0,0]=3 94 B10R1.25 C1=CC(=C(C=C1Cl)F)C=O C120609 [1,0,0,0,0,0|2,0,0]=3 95 B10R1.25 C1=CC(=C(C=C1Cl)O)C#N C183577 [1,0,0,0,0,0|2,0,1]=4 96 B10R1.25 C1=CC(=C(C=C1Cl)O)C=O C140242 [1,0,0,0,0,0|1,0,0]=2 97 B10R1.25 C1=CC(=C(C=C1F)Br)C=O B120674 [1,0,0,0,0,0|2,0,0]=3 98 B10R1.25 C1=CC(=C(C=C1F)Cl)C=O C120604 [1,0,0,0,0,0|2,0,0]=3 99 B10R1.25 C1=CC(=C(C=C1F)F)C=O D120656 [1,0,0,0,0,0|2,0,0]=3 100 B10R1.25 C1=CC(=C(C=C1F)O)C#N F587833 [1,0,0,0,0,0|2,0,1]=4 101 B10R1.25 C1=CC(=C(C=C1F)O)C=O F124183 [1,0,0,0,0,0|1,0,0]=2 102 B10R1.25 C1=CC(=C(C=C1O)Br)C=O B588246 [1,0,0,0,0,0|1,0,0]=2 103 B10R1.25 C1=CC(=C(C=C1O)Cl)C#N C123974 [1,0,0,0,0,0|2,0,1]=4 104 B10R1.25 C1=CC(=C(C=C1O)Cl)C=O W134215 [1,0,0,0,0,0|1,0,0]=2 105 B10R1.25 C1=CC(=C(C=C1O)F)C#N F103201 [1,0,0,0,0,0|2,0,1]=4 106 B10R1.25 C1=CC(=C(C=C1O)F)C=O F124151 [1,0,0,0,0,0|1,0,0]=2 107 B10R1.25 C1=CC(=C(C=C1O)O)C=O D106474 [1,0,0,0,0,0|0,0,0]=1 108 B10R1.25 C1=CC(=NC(=C1C=O)Cl)Br B165963 [1,0,0,0,0,0|3,0,0]=4 109 B10R1.25 C1=CC(=NC(=C1C=O)Cl)Cl D154201 [1,0,0,0,0,0|3,0,0]=4 110 B10R1.25 C1=CC(=NC(=C1C=O)F)F D181754 [1,0,0,0,0,0|3,0,0]=4 111 B10R1.25 CC1=C(C=CC(=C1)Br)C=O B134372 [1,0,0,0,0,0|2,0,0]=3 112 B10R1.25 CC1=C(C=CC(=C1)Cl)C=O C193235 [1,0,0,0,0,0|2,0,0]=3 113 B10R1.25 CC1=C(C=CC(=C1)F)C=O F120645 [1,0,0,0,0,0|2,0,0]=3 114 B10R1.25 CC1=C(C=CC(=C1)O)SC M158095 [1,0,0,0,0,0|3,0,0]=4 115 B10R1.25 CC1=C(C=CC(=N1)Cl)C=O C187655 [1,0,0,0,0,0|3,0,0]=4 116 B10R1.25 CC1=CC(=C(C=C1)C#N)Br W135911 [1,0,0,0,0,0|2,0,1]=4 117 B10R1.25 CC1=CC(=C(C=C1)C#N)C D154445 [1,0,0,0,0,0|2,0,1]=4 118 B10R1.25 CC1=CC(=C(C=C1)C#N)Cl C182776 [1,0,0,0,0,0|2,0,1]=4 119 B10R1.25 CC1=CC(=C(C=C1)C#N)F F120481 [1,0,0,0,0,0|2,0,1]=4 120 B10R1.25 CC1=CC(=C(C=C1)C#N)N A123969 [1,0,0,0,0,0|2,0,1]=4 121 B10R1.25 CC1=CC(=C(C=C1)C#N)O H182292 [1,0,0,0,0,0|1,0,1]=3 122 B10R1.25 CC1=CC(=C(C=C1)C=O)Br B186774 [1,0,0,0,0,0|1,0,0]=2 123 B10R1.25 CC1=CC(=C(C=C1)C=O)C D103125 [1,0,0,0,0,0|1,0,0]=2 124 B10R1.25 CC1=CC(=C(C=C1)C=O)Cl C135937 [1,0,0,0,0,0|1,0,0]=2 125 B10R1.25 CC1=CC(=C(C=C1)C=O)F F120634 [1,0,0,0,0,0|1,0,0]=2 126 B10R1.25 CC1=CC(=C(C=C1)C=O)O H124155 [1,0,0,0,0,0|0,0,0]=1 127 B10R1.25 CC1=CC(=C(C=C1)CCl)C D304725 [1,0,0,0,0,0|2,0,1]=4 128 B10R1.25 CC1=CC(=C(C=C1)CO)C D155716 [1,0,0,0,0,0|1,0,2]=4 129 B10R1.25 CC1=CC(=C(C=C1)CO)Cl C588985 [1,0,0,0,0,0|1,0,2]=4 130 B10R1.25 CC1=CC(=C(C=C1)NN)C D102567 [1,0,0,0,0,0|3,0,0]=4 131 B10R1.25 CC1=CC(=C(C=C1)OC)Br B135797 [1,0,0,0,0,0|3,0,0]=4 132 B10R1.25 CC1=CC(=C(C=C1)OC)N M114090 [1,0,0,0,0,0|3,0,0]=4 133 B10R1.25 CC1=CC(=C(C=C1)OC)N M131613 [1,0,0,0,0,0|3,0,0]=4 134 B10R1.25 CC1=CC(=C(C=C1)OC)O M124273 [1,0,0,0,0,0|2,0,0]=3 135 B10R1.25 CC1=CC(=CN=C1C=O)Br B355007 [1,0,0,0,0,0|3,0,0]=4 136 B10R1.25 CC1=CC(=NC=C1C=O)Cl C187656 [1,0,0,0,0,0|3,0,0]=4 137 B10R1.25 CCC1=C(C=C(C=C1)C)C E156304 [1,0,0,0,0,0|2,0,1]=4 138 B10R1.25 CCC1=C(C=C(C=C1)O)O E100551 [1,0,0,0,0,0|1,0,1]=3 139 B10R1.25 COC1=C(C=C(C=C1)Br)O B137212 [1,0,0,0,0,0|3,0,0]=4 140 B10R1.25 COC1=C(C=C(C=C1)Cl)O C193052 [1,0,0,0,0,0|3,0,0]=4 141 B10R1.25 COC1=C(C=C(C=C1)F)O F186288 [1,0,0,0,0,0|3,0,0]=4 142 B10R1.25 COC1=C(C=C(C=C1)N)O H157240 [1,0,0,0,0,0|3,0,0]=4 143 B10R1.25 COC1=C(C=C(C=C1)O)Br B182087 [1,0,0,0,0,0|3,0,0]=4 144 B10R1.25 COC1=C(C=C(C=C1)O)F F193465 [1,0,0,0,0,0|3,0,0]=4 145 B10R1.25 COC1=C(C=C(C=C1)O)O M304130 [1,0,0,0,0,0|2,0,0]=3 146 B10R1.176 C1=CC(=C(C=C1C#N)O)Cl C589331 [1,0,0,0,0,0|3,0,0]=4 147 B10R1.176 C1=CC(=C(C=C1C#N)O)F F182327 [1,0,0,0,0,0|3,0,0]=4 148 B10R1.176 C1=CC(=C(C=C1C#N)O)I H588102 [1,0,0,0,0,0|3,0,0]=4 149 B10R1.176 C1=CC(=C(C=C1C#N)O)O D154618 [1,0,0,0,0,0|2,0,1]=4 150 B10R1.176 C1=CC(=C(C=C1C=O)O)O D108634 [1,0,0,0,0,0|2,0,1]=4 151 B10R1.176 C1=CC(=C(C=C1C=O)O)O D108636 [1,0,0,0,0,0|2,0,1]=4 152 B10R1.176 C1=CC(=C(C=C1C=O)O)O D130075 [1,0,0,0,0,0|2,0,1]=4 153 B10R1.176 C1=CC(=C(C=C1CN)O)O D167718 [1,0,0,0,0,0|2,0,1]=4 154 B10R1.176 C1=CC(=C(C=C1CO)O)O D155345 [1,0,0,0,0,0|2,0,1]=4 155 B10R1.176 CC1=C(C=C(C=C1)C#N)O H184166 [1,0,0,0,0,0|2,0,1]=4 156 B10R1.176 CC1=C(C=C(C=C1)OC)Br B193028 [1,0,0,0,0,0|1,0,1]=3 157 B10R1.176 CC1=C(C=C(C=C1)OC)C D170479 [1,0,0,0,0,0|1,0,1]=3 158 B10R1.176 CC1=C(C=C(C=C1)OC)Cl C405497 [1,0,0,0,0,0|1,0,1]=3 159 B10R1.176 CC1=C(C=C(C=C1)OC)F F193262 [1,0,0,0,0,0|1,0,1]=3 160 B10R1.176 CC1=C(C=C(C=C1)OC)N W134180 [1,0,0,0,0,0|1,0,1]=3 161 B10R1.176 CC1=C(C=CC(=C1)OC)Br B115843 [1,0,0,0,0,0|2,0,0]=3 162 B10R1.176 CC1=C(C=CC(=C1)OC)F W137121 [1,0,0,0,0,0|2,0,0]=3 163 B10R1.176 CC1=C(C=CC(=C1)OC)N M124249 [1,0,0,0,0,0|2,0,0]=3 164 B10R1.176 CC1=C(C=CC(=C1)OC)O H193776 [1,0,0,0,0,0|1,0,1]=3 165 B10R1.176 CC1=C(C=CC(=N1)OC)Br B120739 [1,0,0,0,0,0|3,0,0]=4 166 B10R1.176 CC1=C(C=CC(=N1)OC)N A184948 [1,0,0,0,0,0|3,0,0]=4 167 B10R1.176 CC1=CC(=NC=C1Br)OC W131917 [1,0,0,0,0,0|3,0,0]=4 168 B10R1.176 CC1=CC(=NC=C1N)OC A185897 [1,0,0,0,0,0|3,0,0]=4 169 B10R1.176 CCC1=CC(=C(C=C1)O)Br B589769 [1,0,0,0,0,0|2,0,1]=4 170 B10R1.176 CCC1=CC(=C(C=C1)O)O E165960 [1,0,0,0,0,0|1,0,1]=3 171 B10R1.176 CNC1=CC(=C(C=C1)Cl)Cl D589045 [1,0,0,0,0,0|3,0,0]=4 172 B10R1.176 COC1=CC(=C(C=C1)Br)Cl B184846 [1,0,0,0,0,0|2,0,0]=3 173 B10R1.176 COC1=CC(=C(C=C1)Br)F B115514 [1,0,0,0,0,0|2,0,0]=3 174 B10R1.176 COC1=CC(=C(C=C1)Br)I B589246 [1,0,0,0,0,0|2,0,0]=3 175 B10R1.176 COC1=CC(=C(C=C1)Br)N B185457 [1,0,0,0,0,0|2,0,0]=3 176 B10R1.176 COC1=CC(=C(C=C1)Br)O B185723 [1,0,0,0,0,0|1,0,0]=2 177 B10R1.176 COC1=CC(=C(C=C1)Cl)Br B120329 [1,0,0,0,0,0|2,0,0]=3 178 B10R1.176 COC1=CC(=C(C=C1)Cl)F C133728 [1,0,0,0,0,0|2,0,0]=3 179 B10R1.176 COC1=CC(=C(C=C1)Cl)N C122489 [1,0,0,0,0,0|2,0,0]=3 180 B10R1.176 COC1=CC(=C(C=C1)Cl)N C134554 [1,0,0,0,0,0|2,0,0]=3 181 B10R1.176 COC1=CC(=C(C=C1)F)Br B576831 [1,0,0,0,0,0|2,0,0]=3 182 B10R1.176 COC1=CC(=C(C=C1)F)Cl C132066 [1,0,0,0,0,0|2,0,0]=3 183 B10R1.176 COC1=CC(=C(C=C1)F)F D155764 [1,0,0,0,0,0|2,0,0]=3 184 B10R1.176 COC1=CC(=C(C=C1)I)Br B184649 [1,0,0,0,0,0|2,0,0]=3 185 B10R1.176 COC1=CC(=C(C=C1)I)O I170223 [1,0,0,0,0,0|1,0,0]=2 186 B10R1.176 COC1=CC(=C(C=C1)N)Cl C192569 [1,0,0,0,0,0|2,0,0]=3 187 B10R1.176 COC1=CC(=C(C=C1)N)F F124247 [1,0,0,0,0,0|2,0,0]=3 188 B10R1.176 COC1=CC(=C(C=C1)N)I I175362 [1,0,0,0,0,0|2,0,0]=3 189 B10R1.176 COC1=CC(=C(C=C1)N)N D178847 [1,0,0,0,0,0|2,0,0]=3 190 B10R1.176 COC1=CC(=C(C=C1)N)N M299127 [1,0,0,0,0,0|2,0,0]=3 191 B10R1.176 COC1=CC(=C(C=C1)N)O H157084 [1,0,0,0,0,0|1,0,0]=2 192 B10R1.176 COC1=CC(=C(C=C1)O)Br B122555 [1,0,0,0,0,0|1,0,1]=3 193 B10R1.176 COC1=CC(=C(C=C1)O)Br B152684 [1,0,0,0,0,0|1,0,1]=3 194 B10R1.176 COC1=CC(=C(C=C1)O)Cl C124268 [1,0,0,0,0,0|1,0,1]=3 195 B10R1.176 COC1=CC(=C(C=C1)O)F F156740 [1,0,0,0,0,0|1,0,1]=3 196 B10R1.176 COC1=CC(=C(C=C1)O)N A299108 [1,0,0,0,0,0|1,0,1]=3 197 B10R1.176 COC1=NC(=C(C=C1)Br)Cl B186590 [1,0,0,0,0,0|3,0,0]=4 198 B10R1.176 COC1=NC(=C(C=C1)Br)F B586697 [1,0,0,0,0,0|3,0,0]=4 199 B10R1.176 COC1=NC(=C(C=C1)Br)N B193667 [1,0,0,0,0,0|3,0,0]=4 200 B10R1.176 COC1=NC(=C(C=C1)Cl)N A590054 [1,0,0,0,0,0|3,0,0]=4 201 B10R1.176 COC1=NC(=C(C=C1)N)Br A181285 [1,0,0,0,0,0|3,0,0]=4 202 B10R1.176 COC1=NC(=C(C=C1)N)Cl A169728 [1,0,0,0,0,0|3,0,0]=4 203 B10R1.176 COC1=NC=C(C(=C1)F)Br B578685 [1,0,0,0,0,0|3,0,0]=4 204 B12R1.48 B(C1=CC(=C(C=C1)C=O)Cl)(O)O C179237 [0,1,0,0,0,0|3,0,0]=4 205 B12R1.48 B(C1=CC(=C(C=C1)C=O)F)(O)O F104099 [0,1,0,0,0,0|3,0,0]=4 206 B12R1.48 C1=CC(=C(C=C1C(=O)O)Br)C=O B195839 [0,1,0,0,0,0|3,0,0]=4 207 B12R1.48 C1=CC(=C(C=C1C(=O)O)O)C=O F135039 [0,1,0,0,0,0|2,0,0]=3 208 B12R1.48 C1=CC(=C(C=C1[N+](=O)[O-])F)C=O F140240 [0,1,0,0,0,0|3,0,0]=4 209 B12R1.48 CC(=O)C1=CC(=C(C=C1)OC)O H139073 [0,1,0,0,0,0|3,0,0]=4 210 B12R1.48 CN(C)C1=CC(=C(C=C1)C=O)Cl C154094 [0,1,0,0,0,0|2,0,0]=3 211 B12R1.78 CCC1=CC(=C(C=C1)OC)OC E194090 [0,1,0,0,0,0|3,0,0]=4 212 B12R1.78 COC1=CC(=C(C=C1)C#N)OC D154447 [0,1,0,0,0,0|1,0,1]=3 213 B12R1.78 COC1=CC(=C(C=C1)C=O)OC D155985 [0,1,0,0,0,0|0,0,0]=1 214 B12R1.78 COC1=CC(=C(C=C1)CN)OC D123129 [0,1,0,0,0,0|1,0,1]=3 215 B12R1.78 COC1=CC(=C(C=C1)CN)OC D168489 [0,1,0,0,0,0|1,0,1]=3 216 B12R1.78 COC1=CC(=C(C=C1)CO)OC D134007 [0,1,0,0,0,0|0,0,2]=3 217 B12R1.78 COC1=CC(=C(C=C1)OC)C#N D154453 [0,1,0,0,0,0|3,0,0]=4 218 B12R1.78 COC1=CC(=C(C=C1)OC)C=O D111319 [0,1,0,0,0,0|2,0,1]=4 219 B12R1.78 COC1=CC(=C(C=C1)OC)OC T107287 [0,1,0,0,0,0|2,0,0]=3 220 B12R1.78 COC1=NC(=C(C=C1)C=O)OC D185402 [0,1,0,0,0,0|1,0,0]=2 221 B12R1.78 COC1=NC(=NC=C1C=O)OC F356120 [0,1,0,0,0,0|2,0,0]=3 222 B12R1.114 CC1=C(C=CC(=C1)OC)CC#N M192401 [0,1,0,0,0,0|2,0,1]=4 223 B12R1.114 CC1=C(C=CC(=C1)OC)N=C=S B301234 [0,1,0,0,0,0|1,1,1]=4 224 B12R1.288 COC1=C(C=C(C=C1)CCN)O H185776 [0,1,0,0,0,0|3,0,0]=4 225 B12R1.301 C1=C(C=C(C(=C1F)C=O)F)C#N D122615 [0,1,0,0,0,0|3,0,0]=4 226 B12R1.301 COC1=CC(=C(C(=C1)F)C#N)F D122742 [0,1,0,0,0,0|2,0,1]=4 227 B12R1.301 COC1=CC(=C(C(=C1)F)C=O)F D124141 [0,1,0,0,0,0|1,0,0]=2 228 B12R1.450 C1=C(C(=CC(=C1Br)C=O)Br)C=O B300431 [0,1,0,0,0,0|3,0,0]=4 229 B12R1.450 C1=C(C(=CC(=C1Cl)C=O)Cl)C=O B300262 [0,1,0,0,0,0|3,0,0]=4 230 B12R1.450 C1=C(C(=CC(=C1O)C=O)O)C=O B300119 [0,1,0,0,0,0|2,0,0]=3 231 B12R1.450 CC1=CC(=C(C=C1C=O)C)C=O D304447 [0,1,0,0,0,0|3,0,0]=4 232 B12R1.450 CC1=CC(=C(C=C1OC)C)C=O D124188 [0,1,0,0,0,0|1,0,0]=2 233 B12R1.450 COC1=C(C=C(C(=C1)Br)C=O)O B123039 [0,1,0,0,0,0|1,0,0]=2 234 B12R1.450 COC1=C(C=C(C(=C1)F)C#N)F D578705 [0,1,0,0,0,0|2,0,1]=4 235 B12R1.450 COC1=C(C=C(C(=C1)F)C=O)F D124139 [0,1,0,0,0,0|1,0,0]=2 236 B12R1.450 COC1=CC(=C(C=C1Br)OC)Br D124290 [0,1,0,0,0,0|3,0,0]=4 237 B12R1.450 COC1=CC(=C(C=C1Cl)OC)Cl C128230 [0,1,0,0,0,0|3,0,0]=4 238 B12R1.450 COC1=CC(=C(C=C1F)OC)F D168336 [0,1,0,0,0,0|3,0,0]=4 239 B12R1.450 COC1=CC(=C(C=C1F)OC)F D531667 [0,1,0,0,0,0|3,0,0]=4 240 B12R1.450 COC1=CC(=C(C=C1I)OC)I D404286 [0,1,0,0,0,0|3,0,0]=4 241 B12R1.450 COC1=CC(=C(C=C1N)OC)Cl C115803 [0,1,0,0,0,0|3,0,0]=4 242 B12R1.450 COC1=CC(=O)C(=CC1=O)OC D154942 [0,1,0,0,0,0|2,0,1]=4 243 B12R1.452 B(C1=C(C=C(C=C1)OC)C)(O)O M102154 [0,1,0,0,0,0|2,0,1]=4 244 B12R1.452 B(C1=C(C=C(C=C1)OC)Cl)(O)O C102575 [0,1,0,0,0,0|2,0,1]=4 245 B12R1.452 B(C1=C(C=C(C=C1)OC)F)(O)O F120093 [0,1,0,0,0,0|2,0,1]=4 246 B12R1.452 C1=CC(=C(C=C1C#N)F)C(=O)O C111119 [0,1,0,0,0,0|3,0,0]=4 247 B12R1.452 C1=CC(=C(C=C1C=O)O)[N+](=O)[O-] H137340 [0,1,0,0,0,0|3,0,0]=4 248 B12R1.452 C1=CC(=C(C=C1CO)F)C(=O)O F168590 [0,1,0,0,0,0|3,0,0]=4 249 B12R1.452 CC(=O)C1=C(C=C(C=C1)OC)F F123261 [0,1,0,0,0,0|1,0,0]=2 250 B12R1.452 CC(=O)C1=C(C=C(C=C1)OC)N A303698 [0,1,0,0,0,0|1,0,0]=2 251 B12R1.452 CC(=O)C1=C(C=C(C=C1)OC)O H111081 [0,1,0,0,0,0|0,0,0]=1 252 B12R1.452 CC(=O)C1=C(C=C(C=C1)OC)O H111082 [0,1,0,0,0,0|0,0,0]=1 253 B12R1.452 CC1=C(C=CC(=C1)C#N)C(=O)O C587953 [0,1,0,0,0,0|3,0,0]=4 254 B12R1.452 CC1=C(C=CC(=C1)OC)C(=O)O W137647 [0,1,0,0,0,0|1,0,0]=2 255 B12R1.452 CC1=C(C=CC(=C1)OC)[N+](=O)[O-] M122605 [0,1,0,0,0,0|2,0,0]=3 256 B12R1.452 CC1=C(C=CC(=N1)OC)[N+](=O)[O-] M185136 [0,1,0,0,0,0|3,0,0]=4 257 B12R1.452 CC1=CC(=NC=C1[N+](=O)[O-])OC M121805 [0,1,0,0,0,0|3,0,0]=4 258 B12R1.452 COC1=CC(=C(C=C1)C(=O)N)O M140197 [0,1,0,0,0,0|0,0,0]=1 259 B12R1.452 COC1=CC(=C(C=C1)C(=O)O)Br B186370 [0,1,0,0,0,0|1,0,0]=2 260 B12R1.452 COC1=CC(=C(C=C1)C(=O)O)Cl C123875 [0,1,0,0,0,0|1,0,0]=2 261 B12R1.452 COC1=CC(=C(C=C1)C(=O)O)F F124306 [0,1,0,0,0,0|1,0,0]=2 262 B12R1.452 COC1=CC(=C(C=C1)C(=O)O)I I589429 [0,1,0,0,0,0|1,0,0]=2 263 B12R1.452 COC1=CC(=C(C=C1)C(=O)O)N A123844 [0,1,0,0,0,0|1,0,0]=2 264 B12R1.452 COC1=CC(=C(C=C1)C(=O)O)O M158290 [0,1,0,0,0,0|0,0,0]=1 265 B12R1.452 COC1=CC(=C(C=C1)C(C)=O)O P407787 [0,1,0,0,0,0|0,0,0]=1 266 B12R1.452 COC1=CC(=C(C=C1)[N+](=O)[O-])Br B196145 [0,1,0,0,0,0|2,0,0]=3 267 B12R1.452 COC1=CC(=C(C=C1)[N+](=O)[O-])F F184588 [0,1,0,0,0,0|2,0,0]=3 268 B12R1.452 COC1=CC(=C(C=C1)[N+](=O)[O-])N M121857 [0,1,0,0,0,0|2,0,0]=3 269 B12R1.452 COC1=CC=C(C(=O)N1)[N+](=O)[O-] M490125 [0,1,0,0,0,0|2,0,1]=4 270 B12R1.452 COC1=NC(=C(C=C1)C(=O)O)Cl C170633 [0,1,0,0,0,0|2,0,0]=3 271 B12R1.452 COC1=NC(=C(C=C1)[N+](=O)[O-])Br B192865 [0,1,0,0,0,0|3,0,0]=4 272 B12R1.452 COC1=NC(=C(C=C1)[N+](=O)[O-])Cl C123448 [0,1,0,0,0,0|3,0,0]=4 273 B12R1.452 COC1=NC(=C(C=C1)[N+](=O)[O-])N A135680 [0,1,0,0,0,0|3,0,0]=4 274 B12R1.653 C1=CC(=C(C(=C1C=O)O)O)C=O B299923 [0,1,0,0,0,0|2,0,0]=3 275 B12R1.653 CC1=C(C=CC(=C1C)OC)C=O D124134 [0,1,0,0,0,0|1,0,0]=2 276 B12R1.653 COC1=C(C(=C(C=C1)C=O)Cl)O W135109 [0,1,0,0,0,0|1,0,0]=2 277 B12R1.653 COC1=C(C(=C(C=C1)C=O)F)F D183197 [0,1,0,0,0,0|1,0,0]=2 278 B12R1.653 COC1=C(C(=C(C=C1)C=O)I)O H167150 [0,1,0,0,0,0|1,0,0]=2 279 B12R1.653 COC1=C(C(=C(C=C1)OC)Br)Br D193609 [0,1,0,0,0,0|3,0,0]=4 280 B12R1.653 COC1=C(C(=C(C=C1)OC)N)N D589018 [0,1,0,0,0,0|3,0,0]=4 281 B12R2.44 COC1=CC2=C(C=C1)C=CN2 M123429 [0,0,0,1,0,0|2,0,0]=3 282 B12R2.44 COC1=CC2=C(C=C1)N=CN2 M124712 [0,0,0,1,0,0|3,0,0]=4 283 B12R2.44 COC1=CC2=C(C=C1)N=CS2 M183487 [0,0,0,1,0,0|2,1,0]=4 284 B12R2.44 COC1=CC2=C(C=C1)NC=C2 M111475 [0,0,0,1,0,0|3,0,0]=4 285 B9R1.1 C1=CC(=CC=C1C#N)O H115122 [2,0,0,0,0,0|1,0,1]=4 286 B9R1.1 C1=CC(=CC=C1C#N)O H115123 [2,0,0,0,0,0|1,0,1]=4 287 B9R1.1 C1=CC(=CC=C1C=O)Br B109177 [2,0,0,0,0,0|1,0,0]=3 288 B9R1.1 C1=CC(=CC=C1C=O)Br B419287 [2,0,0,0,0,0|1,0,0]=3 289 B9R1.1 C1=CC(=CC=C1C=O)Cl C104155 [2,0,0,0,0,0|1,0,0]=3 290 B9R1.1 C1=CC(=CC=C1C=O)F F109178 [2,0,0,0,0,0|1,0,0]=3 291 B9R1.1 C1=CC(=CC=C1C=O)I I138274 [2,0,0,0,0,0|1,0,0]=3 292 B9R1.1 C1=CC(=CC=C1C=O)N A303975 [2,0,0,0,0,0|1,0,0]=3 293 B9R1.1 C1=CC(=CC=C1C=O)N A405596 [2,0,0,0,0,0|1,0,0]=3 294 B9R1.1 C1=CC(=CC=C1C=O)O H100420 [2,0,0,0,0,0|0,0,0]=2 295 B9R1.1 C1=CC(=CC=C1C=O)O H100421 [2,0,0,0,0,0|0,0,0]=2 296 B9R1.1 C1=CC(=CC=C1C=O)O H431620 [2,0,0,0,0,0|0,0,0]=2 297 B9R1.1 C1=CC(=CC=C1CN)O A139192 [2,0,0,0,0,0|1,0,1]=4 298 B9R1.1 C1=CC(=CC=C1CN)O A187992 [2,0,0,0,0,0|1,0,1]=4 299 B9R1.1 C1=CC(=CC=C1CO)O H107912 [2,0,0,0,0,0|0,0,2]=4 300 B9R1.1 C1=CC(=CC=C1N=O)O N159523 [2,0,0,0,0,0|1,0,0]=3 301 B9R1.1 C1=CC(=NC=C1Br)C=O B119147 [2,0,0,0,0,0|2,0,0]=4 302 B9R1.1 C1=CC(=NC=C1C=O)Br B115763 [2,0,0,0,0,0|2,0,0]=4 303 B9R1.1 C1=CC(=NC=C1C=O)Cl C122666 [2,0,0,0,0,0|2,0,0]=4 304 B9R1.1 C1=CC(=NC=C1C=O)F F185975 [2,0,0,0,0,0|2,0,0]=4 305 B9R1.1 C1=CC(=NC=C1C=O)N A177224 [2,0,0,0,0,0|2,0,0]=4 306 B9R1.1 C1=CC(=NC=C1Cl)C=O C154077 [2,0,0,0,0,0|2,0,0]=4 307 B9R1.1 C1=CC(=NC=C1O)C=O H192663 [2,0,0,0,0,0|1,0,0]=3 308 B9R1.1 C1=CC(=O)NC=C1C=O H179130 [2,0,0,0,0,0|1,0,1]=4 309 B9R1.1 C=CC1=CC=C(C=C1)Br B102167 [2,0,0,0,0,0|2,0,0]=4 310 B9R1.1 C=CC1=CC=C(C=C1)Cl C121719 [2,0,0,0,0,0|2,0,0]=4 311 B9R1.1 C=CC1=CC=C(C=C1)F F107117 [2,0,0,0,0,0|2,0,0]=4 312 B9R1.1 C=CC1=CC=C(C=C1)F F407667 [2,0,0,0,0,0|2,0,0]=4 313 B9R1.1 C=CC1=CC=C(C=C1)N A151485 [2,0,0,0,0,0|2,0,0]=4 314 B9R1.1 C=CC1=CC=C(C=C1)O H189096 [2,0,0,0,0,0|1,0,0]=3 315 B9R1.1 CC1=CC=C(C=C1)C#C E106375 [2,0,0,0,0,0|1,0,1]=4 316 B9R1.1 CC1=CC=C(C=C1)C#N P160229 [2,0,0,0,0,0|1,0,1]=4 317 B9R1.1 CC1=CC=C(C=C1)C=C M158348 [2,0,0,0,0,0|1,0,0]=3 318 B9R1.1 CC1=CC=C(C=C1)C=O M105910 [2,0,0,0,0,0|0,0,0]=2 319 B9R1.1 CC1=CC=C(C=C1)CBr M109534 [2,0,0,0,0,0|1,0,1]=4 320 B9R1.1 CC1=CC=C(C=C1)CCl A101683 [2,0,0,0,0,0|1,0,1]=4 321 B9R1.1 CC1=CC=C(C=C1)CCl A164460 [2,0,0,0,0,0|1,0,1]=4 322 B9R1.1 CC1=CC=C(C=C1)CN M158669 [2,0,0,0,0,0|1,0,1]=4 323 B9R1.1 CC1=CC=C(C=C1)CO M113648 [2,0,0,0,0,0|0,0,2]=4 324 B9R1.1 CC1=CC=C(C=C1)CS M113646 [2,0,0,0,0,0|0,1,1]=4 325 B9R1.1 CC1=CC=C(C=C1)NC N159024 [2,0,0,0,0,0|1,0,1]=4 326 B9R1.1 CC1=CC=C(C=C1)NN T109603 [2,0,0,0,0,0|2,0,0]=4 327 B9R1.1 CC1=CC=C(C=C1)OC M106728 [2,0,0,0,0,0|0,0,1]=3 328 B9R1.1 CC1=CC=C(C=C1)SC M101848 [2,0,0,0,0,0|0,1,1]=4 329 B9R1.1 CC1=CN=C(C=C1)C=O M170606 [2,0,0,0,0,0|1,0,0]=3 330 B9R1.1 CC1=CN=C(C=C1)OC M181247 [2,0,0,0,0,0|1,0,1]=4 331 B9R1.1 CC1=CN=C(C=N1)C=O M176646 [2,0,0,0,0,0|2,0,0]=4 332 B9R1.1 CC1=NC=C(C=C1)C=O W134999 [2,0,0,0,0,0|1,0,0]=3 333 B9R1.1 CCC1=CC=C(C=C1)Br B101890 [2,0,0,0,0,0|2,0,0]=4 334 B9R1.1 CCC1=CC=C(C=C1)Br B141181 [2,0,0,0,0,0|2,0,0]=4 335 B9R1.1 CCC1=CC=C(C=C1)C E123489 [2,0,0,0,0,0|1,0,1]=4 336 B9R1.1 CCC1=CC=C(C=C1)Cl C171229 [2,0,0,0,0,0|2,0,0]=4 337 B9R1.1 CCC1=CC=C(C=C1)I E189089 [2,0,0,0,0,0|2,0,0]=4 338 B9R1.1 CCC1=CC=C(C=C1)N E102230 [2,0,0,0,0,0|2,0,0]=4 339 B9R1.1 CCC1=CC=C(C=C1)O E115497 [2,0,0,0,0,0|1,0,1]=4 340 B9R1.1 CCC1=CC=C(C=C1)S E156190 [2,0,0,0,0,0|1,1,0]=4 341 B9R1.1 CNC1=CC=C(C=C1)Br B304406 [2,0,0,0,0,0|2,0,0]=4 342 B9R1.1 CNC1=CC=C(C=C1)Cl C139458 [2,0,0,0,0,0|2,0,0]=4 343 B9R1.1 CNC1=CC=C(C=C1)F F170454 [2,0,0,0,0,0|2,0,0]=4 344 B9R1.1 CNC1=CC=C(C=C1)N N589686 [2,0,0,0,0,0|2,0,0]=4 345 B9R1.1 COC1=CC=C(C=C1)Br B108656 [2,0,0,0,0,0|1,0,0]=3 346 B9R1.1 COC1=CC=C(C=C1)Cl C113571 [2,0,0,0,0,0|1,0,0]=3 347 B9R1.1 COC1=CC=C(C=C1)F F123675 [2,0,0,0,0,0|1,0,0]=3 348 B9R1.1 COC1=CC=C(C=C1)I I107035 [2,0,0,0,0,0|1,0,0]=3 349 B9R1.1 COC1=CC=C(C=C1)I L359048 [2,0,0,0,0,0|1,0,0]=3 350 B9R1.1 COC1=CC=C(C=C1)N A106071 [2,0,0,0,0,0|1,0,0]=3 351 B9R1.1 COC1=CC=C(C=C1)N A615348 [2,0,0,0,0,0|1,0,0]=3 352 B9R1.1 COC1=CC=C(C=C1)N P160121 [2,0,0,0,0,0|1,0,0]=3 353 B9R1.1 COC1=CC=C(C=C1)O M104222 [2,0,0,0,0,0|0,0,1]=3 354 B9R1.1 COC1=CC=C(C=C1)S M101780 [2,0,0,0,0,0|0,1,0]=3 355 B9R1.1 COC1=CC=C(O)C=C1 M408201 [2,0,0,0,0,0|0,0,1]=3 356 B9R1.1 COC1=CC=[N+](C=C1)[O-] M119964 [2,0,0,0,0,0|1,0,1]=4 357 B9R1.1 COC1=CC=[N+](C=C1)[O-] M168481 [2,0,0,0,0,0|1,0,1]=4 358 B9R1.1 COC1=CN=C(C=C1)Br B179025 [2,0,0,0,0,0|2,0,0]=4 359 B9R1.1 COC1=CN=C(C=C1)Cl C190823 [2,0,0,0,0,0|2,0,0]=4 360 B9R1.1 COC1=CN=C(C=C1)F F190725 [2,0,0,0,0,0|2,0,0]=4 361 B9R1.1 COC1=CN=C(C=C1)N M171668 [2,0,0,0,0,0|2,0,0]=4 362 B9R1.1 COC1=NC=C(C=C1)Br B115758 [2,0,0,0,0,0|2,0,0]=4 363 B9R1.1 COC1=NC=C(C=C1)Cl C120716 [2,0,0,0,0,0|2,0,0]=4 364 B9R1.1 COC1=NC=C(C=C1)F F120714 [2,0,0,0,0,0|2,0,0]=4 365 B9R1.1 COC1=NC=C(C=C1)I I132230 [2,0,0,0,0,0|2,0,0]=4 366 B9R1.1 COC1=NC=C(C=C1)N A151664 [2,0,0,0,0,0|2,0,0]=4 367 B9R1.1 COC1=NC=C(C=C1)N A400674 [2,0,0,0,0,0|2,0,0]=4 368 B9R1.1 COC1=NC=C(C=C1)O H184927 [2,0,0,0,0,0|1,0,1]=4 369 B9R1.1 CSC1=CC=C(C=C1)Br B101844 [2,0,0,0,0,0|1,1,0]=4 370 B9R1.1 CSC1=CC=C(C=C1)Cl C101840 [2,0,0,0,0,0|1,1,0]=4 371 B9R1.1 CSC1=CC=C(C=C1)F F101837 [2,0,0,0,0,0|1,1,0]=4 372 B9R1.1 CSC1=CC=C(C=C1)N M101835 [2,0,0,0,0,0|1,1,0]=4 373 B9R1.1 CSC1=CC=C(C=C1)O M100813 [2,0,0,0,0,0|0,1,1]=4 374 B9R1.1 CSC1=CC=C(C=C1)S M101782 [2,0,0,0,0,0|0,2,0]=4 375 B9R1.15 C1=CC(=C(N=C1)Br)C=O B107726 [2,0,0,0,0,0|2,0,0]=4 376 B9R1.15 C1=CC(=C(N=C1)C=O)Br B482551 [2,0,0,0,0,0|2,0,0]=4 377 B9R1.15 C1=CC(=C(N=C1)C=O)Cl C182663 [2,0,0,0,0,0|2,0,0]=4 378 B9R1.15 C1=CC(=C(N=C1)C=O)F F121803 [2,0,0,0,0,0|2,0,0]=4 379 B9R1.15 C1=CC(=C(N=C1)C=O)O H175252 [2,0,0,0,0,0|1,0,0]=3 380 B9R1.15 C1=CC(=C(N=C1)Cl)C=O C107725 [2,0,0,0,0,0|2,0,0]=4 381 B9R1.15 C1=CC(=C(N=C1)Cl)C=O C639107 [2,0,0,0,0,0|2,0,0]=4 382 B9R1.15 C1=CC(=C(N=C1)F)C=O F169927 [2,0,0,0,0,0|2,0,0]=4 383 B9R1.15 C1=CC(=C(N=C1)N)C=O A115308 [2,0,0,0,0,0|2,0,0]=4 384 B9R1.15 C1=CC=C(C(=C1)C#N)O H103175 [2,0,0,0,0,0|1,0,1]=4 385 B9R1.15 C1=CC=C(C(=C1)C=O)Br B109684 [2,0,0,0,0,0|1,0,0]=3 386 B9R1.15 C1=CC=C(C(=C1)C=O)Cl C108294 [2,0,0,0,0,0|1,0,0]=3 387 B9R1.15 C1=CC=C(C(=C1)C=O)Cl C108295 [2,0,0,0,0,0|1,0,0]=3 388 B9R1.15 C1=CC=C(C(=C1)C=O)Cl C108296 [2,0,0,0,0,0|1,0,0]=3 389 B9R1.15 C1=CC=C(C(=C1)C=O)F F107119 [2,0,0,0,0,0|1,0,0]=3 390 B9R1.15 C1=CC=C(C(=C1)C=O)I I124157 [2,0,0,0,0,0|1,0,0]=3 391 B9R1.15 C1=CC=C(C(=C1)C=O)N A100686 [2,0,0,0,0,0|1,0,0]=3 392 B9R1.15 C1=CC=C(C(=C1)C=O)O S103742 [2,0,0,0,0,0|0,0,0]=2 393 B9R1.15 C1=CC=C(C(=C1)C=O)O S103743 [2,0,0,0,0,0|0,0,0]=2 394 B9R1.15 C1=CC=C(C(=C1)C=O)O S103745 [2,0,0,0,0,0|0,0,0]=2 395 B9R1.15 C1=CC=C(C(=C1)C=O)O S103746 [2,0,0,0,0,0|0,0,0]=2 396 B9R1.15 C1=CC=C(C(=C1)CN)O A195905 [2,0,0,0,0,0|1,0,1]=4 397 B9R1.15 C1=CC=C(C(=C1)CO)O H106789 [2,0,0,0,0,0|0,0,2]=4 398 B9R1.15 C1=CC=C(C(=C1)CO)O H426756 [2,0,0,0,0,0|0,0,2]=4 399 B9R1.15 C1=CN=CC(=C1C=O)Br B120658 [2,0,0,0,0,0|2,0,0]=4 400 B9R1.15 C1=CN=CC(=C1C=O)Cl C120657 [2,0,0,0,0,0|2,0,0]=4 401 B9R1.15 C1=CN=CC(=C1C=O)F F120653 [2,0,0,0,0,0|2,0,0]=4 402 B9R1.15 C1=CN=CC(=C1C=O)O H182294 [2,0,0,0,0,0|1,0,0]=3 403 B9R1.15 C1=CN=CC(=C1Cl)C=O C172130 [2,0,0,0,0,0|2,0,0]=4 404 B9R1.15 C1=CN=CC(=C1N)C=O A479063 [2,0,0,0,0,0|2,0,0]=4 405 B9R1.15 C1=CNC(=O)C(=C1)C=O H169926 [2,0,0,0,0,0|1,0,1]=4 406 B9R1.15 C=CC1=CC=CC=C1Br B102182 [2,0,0,0,0,0|2,0,0]=4 407 B9R1.15 C=CC1=CC=CC=C1Br B140775 [2,0,0,0,0,0|2,0,0]=4 408 B9R1.15 C=CC1=CC=CC=C1Cl C121721 [2,0,0,0,0,0|2,0,0]=4 409 B9R1.15 C=CC1=CC=CC=C1Cl C492343 [2,0,0,0,0,0|2,0,0]=4 410 B9R1.15 C=CC1=CC=CC=C1F F121723 [2,0,0,0,0,0|2,0,0]=4 411 B9R1.15 C=CC1=CC=CC=C1F F398479 [2,0,0,0,0,0|2,0,0]=4 412 B9R1.15 C=CC1=CC=CC=C1N V303619 [2,0,0,0,0,0|2,0,0]=4 413 B9R1.15 CC1=C(C=CC=N1)C=O M176904 [2,0,0,0,0,0|2,0,0]=4 414 B9R1.15 CC1=C(N=CC=C1)C=O M120655 [2,0,0,0,0,0|2,0,0]=4 415 B9R1.15 CC1=CC=CC=C1C=C M100795 [2,0,0,0,0,0|2,0,0]=4 416 B9R1.15 CC1=CC=CC=C1C=O O159892 [2,0,0,0,0,0|1,0,0]=3 417 B9R1.15 CCC1=CC=CC=C1O E156225 [2,0,0,0,0,0|1,0,1]=4 418 B9R1.15 CNC1=CC=CC=C1O M194184 [2,0,0,0,0,0|2,0,0]=4 419 B9R1.15 COC1=CC=CC=C1O G112735 [2,0,0,0,0,0|2,0,0]=4 420 B9R1.15 COC1=CC=CC=C1O G426764 [2,0,0,0,0,0|2,0,0]=4 421 B9R1.15 CSC1=CC=CC=C1O M101847 [2,0,0,0,0,0|2,0,0]=4 422 B9R1.69 C1=C(C(=O)NC=C1Br)O B136255 [2,0,0,0,0,0|2,0,0]=4 423 B9R1.69 C1=CC(=C(C=C1Br)O)Br D183406 [2,0,0,0,0,0|2,0,0]=4 424 B9R1.69 C1=CC(=C(C=C1Br)O)Cl B120837 [2,0,0,0,0,0|2,0,0]=4 425 B9R1.69 C1=CC(=C(C=C1Br)O)F B120822 [2,0,0,0,0,0|2,0,0]=4 426 B9R1.69 C1=CC(=C(C=C1Br)O)N A184169 [2,0,0,0,0,0|2,0,0]=4 427 B9R1.69 C1=CC(=C(C=C1Br)O)O B123682 [2,0,0,0,0,0|1,0,1]=4 428 B9R1.69 C1=CC(=C(C=C1Cl)O)Br B181326 [2,0,0,0,0,0|2,0,0]=4 429 B9R1.69 C1=CC(=C(C=C1Cl)O)Cl D106518 [2,0,0,0,0,0|2,0,0]=4 430 B9R1.69 C1=CC(=C(C=C1Cl)O)Cl D106519 [2,0,0,0,0,0|2,0,0]=4 431 B9R1.69 C1=CC(=C(C=C1Cl)O)F C182325 [2,0,0,0,0,0|2,0,0]=4 432 B9R1.69 C1=CC(=C(C=C1Cl)O)N A169264 [2,0,0,0,0,0|2,0,0]=4 433 B9R1.69 C1=CC(=C(C=C1Cl)O)O C153242 [2,0,0,0,0,0|1,0,1]=4 434 B9R1.69 C1=CC(=C(C=C1F)O)Br B120807 [2,0,0,0,0,0|2,0,0]=4 435 B9R1.69 C1=CC(=C(C=C1F)O)F D122593 [2,0,0,0,0,0|2,0,0]=4 436 B9R1.69 C1=CC(=C(C=C1F)O)N A122546 [2,0,0,0,0,0|2,0,0]=4 437 B9R1.69 C1=CC(=C(C=C1I)O)Br B590757 [2,0,0,0,0,0|2,0,0]=4 438 B9R1.69 C1=CC(=C(C=C1I)O)Cl C183453 [2,0,0,0,0,0|2,0,0]=4 439 B9R1.69 C1=CC(=C(C=C1N)O)Cl A139126 [2,0,0,0,0,0|2,0,0]=4 440 B9R1.69 C1=CC(=C(C=C1N)O)O A191179 [2,0,0,0,0,0|1,0,1]=4 441 B9R1.69 C1=CC(=C(C=C1O)Br)Cl B181327 [2,0,0,0,0,0|2,0,0]=4 442 B9R1.69 C1=CC(=C(C=C1O)Br)F B137152 [2,0,0,0,0,0|2,0,0]=4 443 B9R1.69 C1=CC(=C(C=C1O)Br)I B573584 [2,0,0,0,0,0|2,0,0]=4 444 B9R1.69 C1=CC(=C(C=C1O)Br)O B153212 [2,0,0,0,0,0|1,0,1]=4 445 B9R1.69 C1=CC(=C(C=C1O)Cl)Br B123471 [2,0,0,0,0,0|2,0,0]=4 446 B9R1.69 C1=CC(=C(C=C1O)Cl)Cl D106520 [2,0,0,0,0,0|2,0,0]=4 447 B9R1.69 C1=CC(=C(C=C1O)Cl)Cl D106521 [2,0,0,0,0,0|2,0,0]=4 448 B9R1.69 C1=CC(=C(C=C1O)Cl)F C120812 [2,0,0,0,0,0|2,0,0]=4 449 B9R1.69 C1=CC(=C(C=C1O)Cl)N A121105 [2,0,0,0,0,0|2,0,0]=4 450 B9R1.69 C1=CC(=C(C=C1O)Cl)N A191581 [2,0,0,0,0,0|2,0,0]=4 451 B9R1.69 C1=CC(=C(C=C1O)Cl)O C133523 [2,0,0,0,0,0|1,0,1]=4 452 B9R1.69 C1=CC(=C(C=C1O)F)Br B120805 [2,0,0,0,0,0|2,0,0]=4 453 B9R1.69 C1=CC(=C(C=C1O)F)Cl C122588 [2,0,0,0,0,0|2,0,0]=4 454 B9R1.69 C1=CC(=C(C=C1O)F)F D120810 [2,0,0,0,0,0|2,0,0]=4 455 B9R1.69 C1=CC(=C(C=C1O)F)I F190218 [2,0,0,0,0,0|2,0,0]=4 456 B9R1.69 C1=CC(=C(C=C1O)F)N A122547 [2,0,0,0,0,0|2,0,0]=4 457 B9R1.69 C1=CC(=C(C=C1O)F)N F182266 [2,0,0,0,0,0|2,0,0]=4 458 B9R1.69 C1=CC(=C(C=C1O)N)Br A178691 [2,0,0,0,0,0|2,0,0]=4 459 B9R1.69 C1=CC(=C(C=C1O)N)Cl W132659 [2,0,0,0,0,0|2,0,0]=4 460 B9R1.69 C1=CC(=C(C=C1O)N)F A137308 [2,0,0,0,0,0|2,0,0]=4 461 B9R1.69 C1=CC(=C(C=C1O)O)Br B133544 [2,0,0,0,0,0|1,0,0]=3 462 B9R1.69 C1=CC(=C(C=C1O)O)Cl C128535 [2,0,0,0,0,0|1,0,0]=3 463 B9R1.69 C1=CC(=C(C=C1O)O)F F131375 [2,0,0,0,0,0|1,0,0]=3 464 B9R1.69 C1=CC(=C(C=C1O)O)O B107437 [2,0,0,0,0,0|0,0,1]=3 465 B9R1.69 C1=CC(=O)C(=CC1=O)Cl C112976 [2,0,0,0,0,0|1,0,1]=4 466 B9R1.69 CC1=C(C=C(C=C1)Br)O B124288 [2,0,0,0,0,0|1,0,1]=4 467 B9R1.69 CC1=C(C=C(C=C1)Cl)O C135000 [2,0,0,0,0,0|1,0,1]=4 468 B9R1.69 CC1=C(C=C(C=C1)F)O F124289 [2,0,0,0,0,0|1,0,1]=4 469 B9R1.69 CC1=C(C=C(C=C1)N)O A115492 [2,0,0,0,0,0|1,0,1]=4 470 B9R1.69 CC1=C(C=C(C=C1)O)Br B185524 [2,0,0,0,0,0|1,0,1]=4 471 B9R1.69 CC1=C(C=C(C=C1)O)C D104347 [2,0,0,0,0,0|1,0,1]=4 472 B9R1.69 CC1=C(C=C(C=C1)O)C D117389 [2,0,0,0,0,0|1,0,1]=4 473 B9R1.69 CC1=C(C=C(C=C1)O)Cl W136428 [2,0,0,0,0,0|1,0,1]=4 474 B9R1.69 CC1=C(C=C(C=C1)O)F F124276 [2,0,0,0,0,0|1,0,1]=4 475 B9R1.69 CC1=C(C=C(C=C1)O)N A183421 [2,0,0,0,0,0|1,0,1]=4 476 B9R1.69 CC1=C(C=CC(=C1)O)Br B124282 [2,0,0,0,0,0|2,0,0]=4 477 B9R1.69 CC1=C(C=CC(=C1)O)Cl C103588 [2,0,0,0,0,0|2,0,0]=4 478 B9R1.69 CC1=C(C=CC(=C1)O)Cl C103589 [2,0,0,0,0,0|2,0,0]=4 479 B9R1.69 CC1=C(C=CC(=C1)O)Cl C128189 [2,0,0,0,0,0|2,0,0]=4 480 B9R1.69 CC1=C(C=CC(=C1)O)F F120819 [2,0,0,0,0,0|2,0,0]=4 481 B9R1.69 CC1=C(C=CC(=C1)O)I I181231 [2,0,0,0,0,0|2,0,0]=4 482 B9R1.69 CC1=C(C=CC(=C1)O)N A121773 [2,0,0,0,0,0|2,0,0]=4 483 B9R1.69 CC1=C(C=CC(=C1)O)O M109541 [2,0,0,0,0,0|1,0,1]=4 484 B9R1.69 CC1=CC(=C(C=C1)Br)Br D123553 [2,0,0,0,0,0|2,0,0]=4 485 B9R1.69 CC1=CC(=C(C=C1)Br)C B101634 [2,0,0,0,0,0|2,0,0]=4 486 B9R1.69 CC1=CC(=C(C=C1)Br)Cl B185889 [2,0,0,0,0,0|2,0,0]=4 487 B9R1.69 CC1=CC(=C(C=C1)Br)F B120751 [2,0,0,0,0,0|2,0,0]=4 488 B9R1.69 CC1=CC(=C(C=C1)Br)I B195363 [2,0,0,0,0,0|2,0,0]=4 489 B9R1.69 CC1=CC(=C(C=C1)Br)N W136366 [2,0,0,0,0,0|2,0,0]=4 490 B9R1.69 CC1=CC(=C(C=C1)Br)O D302938 [2,0,0,0,0,0|1,0,0]=3 491 B9R1.69 CC1=CC(=C(C=C1)C)Br D107975 [2,0,0,0,0,0|1,0,1]=4 492 B9R1.69 CC1=CC(=C(C=C1)C)C T110885 [2,0,0,0,0,0|1,0,1]=4 493 B9R1.69 CC1=CC(=C(C=C1)C)C T110887 [2,0,0,0,0,0|1,0,1]=4 494 B9R1.69 CC1=CC(=C(C=C1)C)C T110888 [2,0,0,0,0,0|1,0,1]=4 495 B9R1.69 CC1=CC(=C(C=C1)C)C T128160 [2,0,0,0,0,0|1,0,1]=4 496 B9R1.69 CC1=CC(=C(C=C1)C)Cl C122701 [2,0,0,0,0,0|1,0,1]=4 497 B9R1.69 CC1=CC(=C(C=C1)C)F F186090 [2,0,0,0,0,0|1,0,1]=4 498 B9R1.69 CC1=CC(=C(C=C1)C)N D106348 [2,0,0,0,0,0|1,0,1]=4 499 B9R1.69 CC1=CC(=C(C=C1)C)O D104331 [2,0,0,0,0,0|0,0,1]=3 500 B9R1.69 CC1=CC(=C(C=C1)C)O D104332 [2,0,0,0,0,0|0,0,1]=3 501 B9R1.69 CC1=CC(=C(C=C1)C)O D117388 [2,0,0,0,0,0|0,0,1]=3 502 B9R1.69 CC1=CC(=C(C=C1)C)S D101775 [2,0,0,0,0,0|0,1,1]=4 503 B9R1.69 CC1=CC(=C(C=C1)Cl)Br B185302 [2,0,0,0,0,0|2,0,0]=4 504 B9R1.69 CC1=CC(=C(C=C1)Cl)C C405487 [2,0,0,0,0,0|2,0,0]=4 505 B9R1.69 CC1=CC(=C(C=C1)Cl)Cl D100626 [2,0,0,0,0,0|2,0,0]=4 506 B9R1.69 CC1=CC(=C(C=C1)Cl)Cl D100627 [2,0,0,0,0,0|2,0,0]=4 507 B9R1.69 CC1=CC(=C(C=C1)Cl)F C121012 [2,0,0,0,0,0|2,0,0]=4 508 B9R1.69 CC1=CC(=C(C=C1)Cl)N C153907 [2,0,0,0,0,0|2,0,0]=4 509 B9R1.69 CC1=CC(=C(C=C1)Cl)O C153524 [2,0,0,0,0,0|1,0,0]=3 510 B9R1.69 CC1=CC(=C(C=C1)F)Br B120742 [2,0,0,0,0,0|2,0,0]=4 511 B9R1.69 CC1=CC(=C(C=C1)F)Cl C181666 [2,0,0,0,0,0|2,0,0]=4 512 B9R1.69 CC1=CC(=C(C=C1)F)F D120699 [2,0,0,0,0,0|2,0,0]=4 513 B9R1.69 CC1=CC(=C(C=C1)F)I F122783 [2,0,0,0,0,0|2,0,0]=4 514 B9R1.69 CC1=CC(=C(C=C1)F)N F113848 [2,0,0,0,0,0|2,0,0]=4 515 B9R1.69 CC1=CC(=C(C=C1)F)O F124272 [2,0,0,0,0,0|1,0,0]=3 516 B9R1.69 CC1=CC(=C(C=C1)I)Br B186225 [2,0,0,0,0,0|2,0,0]=4 517 B9R1.69 CC1=CC(=C(C=C1)I)C I157574 [2,0,0,0,0,0|2,0,0]=4 518 B9R1.69 CC1=CC(=C(C=C1)I)F W134166 [2,0,0,0,0,0|2,0,0]=4 519 B9R1.69 CC1=CC(=C(C=C1)I)N I181158 [2,0,0,0,0,0|2,0,0]=4 520 B9R1.69 CC1=CC(=C(C=C1)N)Br B139034 [2,0,0,0,0,0|2,0,0]=4 521 B9R1.69 CC1=CC(=C(C=C1)N)C D105631 [2,0,0,0,0,0|2,0,0]=4 522 B9R1.69 CC1=CC(=C(C=C1)N)C D105632 [2,0,0,0,0,0|2,0,0]=4 523 B9R1.69 CC1=CC(=C(C=C1)N)C D154317 [2,0,0,0,0,0|2,0,0]=4 524 B9R1.69 CC1=CC(=C(C=C1)N)Cl C133948 [2,0,0,0,0,0|2,0,0]=4 525 B9R1.69 CC1=CC(=C(C=C1)N)F F120702 [2,0,0,0,0,0|2,0,0]=4 526 B9R1.69 CC1=CC(=C(C=C1)N)I I183480 [2,0,0,0,0,0|2,0,0]=4 527 B9R1.69 CC1=CC(=C(C=C1)N)N D106442 [2,0,0,0,0,0|2,0,0]=4 528 B9R1.69 CC1=CC(=C(C=C1)N)N D106444 [2,0,0,0,0,0|2,0,0]=4 529 B9R1.69 CC1=CC(=C(C=C1)N)O A121774 [2,0,0,0,0,0|1,0,0]=3 530 B9R1.69 CC1=CC(=C(C=C1)O)Br B124659 [2,0,0,0,0,0|1,0,1]=4 531 B9R1.69 CC1=CC(=C(C=C1)O)Br B141113 [2,0,0,0,0,0|1,0,1]=4 532 B9R1.69 CC1=CC(=C(C=C1)O)C D112715 [2,0,0,0,0,0|1,0,1]=4 533 B9R1.69 CC1=CC(=C(C=C1)O)C D117387 [2,0,0,0,0,0|1,0,1]=4 534 B9R1.69 CC1=CC(=C(C=C1)O)C D472061 [2,0,0,0,0,0|1,0,1]=4 535 B9R1.69 CC1=CC(=C(C=C1)O)Cl C134527 [2,0,0,0,0,0|1,0,1]=4 536 B9R1.69 CC1=CC(=C(C=C1)O)F F133446 [2,0,0,0,0,0|1,0,1]=4 537 B9R1.69 CC1=CC(=C(C=C1)O)I I305091 [2,0,0,0,0,0|1,0,1]=4 538 B9R1.69 CC1=CC(=C(C=C1)O)N A107257 [2,0,0,0,0,0|1,0,1]=4 539 B9R1.69 CC1=CC(=C(C=C1)O)O M108038 [2,0,0,0,0,0|0,0,1]=3 540 B9R1.69 CC1=CC(=C(C=C1)S)C D101774 [2,0,0,0,0,0|1,1,0]=4 541 B9R1.69 CC1=CC(=C(C=C1)S)S T113451 [2,0,0,0,0,0|0,2,0]=4 542 B9R1.69 CC1=CC(=C(N=C1)Cl)O C195775 [2,0,0,0,0,0|2,0,0]=4 543 B9R1.69 CC1=CC(=O)C=CC1=O I135188 [2,0,0,0,0,0|1,0,1]=4 544 B9R1.69 CC1=CNC(=O)C(=C1)Br B131796 [2,0,0,0,0,0|2,0,0]=4 545 B9R1.69 CC1=CNC(=O)C(=C1)I I169502 [2,0,0,0,0,0|2,0,0]=4 546 B9R1.2 C#CC1=CC(=CC=C1)O H113416 [2,0,0,0,0,0|1,0,1]=4 547 B9R1.2 C1=CC(=CC(=C1)O)C#N C139371 [2,0,0,0,0,0|2,0,0]=4 548 B9R1.2 C1=CC(=CC(=C1)O)C=O H104163 [2,0,0,0,0,0|2,0,0]=4 549 B9R1.2 C1=CC(=CC(=C1)O)CN H407384 [2,0,0,0,0,0|2,0,0]=4 550 B9R1.2 C1=CC(=CC(=C1)O)CO H137304 [2,0,0,0,0,0|2,0,0]=4 551 B9R1.2 C1=CC(=CC(=C1)O)CO H501150 [2,0,0,0,0,0|2,0,0]=4 552 B9R1.2 CC1=CC(=CC=C1)NC M107962 [2,0,0,0,0,0|2,0,0]=4 553 B9R1.2 CC1=CC(=CC=C1)OC M158111 [2,0,0,0,0,0|1,0,0]=3 554 B9R1.2 CC1=CC(=CC=C1)SC M351262 [2,0,0,0,0,0|1,1,0]=4 555 B9R1.2 CC1=CC(=NC=C1)OC M122668 [2,0,0,0,0,0|2,0,0]=4 556 B9R1.2 CC1=NC(=CC=C1)OC M108062 [2,0,0,0,0,0|2,0,0]=4 557 B9R1.2 CC1=NC=CC(=C1)OC M183081 [2,0,0,0,0,0|2,0,0]=4 558 B9R1.2 CCC1=CC(=CC=C1)Br B101889 [2,0,0,0,0,0|2,0,0]=4 559 B9R1.2 CCC1=CC(=CC=C1)Cl C589677 [2,0,0,0,0,0|2,0,0]=4 560 B9R1.2 CCC1=CC(=CC=C1)I E587883 [2,0,0,0,0,0|2,0,0]=4 561 B9R1.2 CCC1=CC(=CC=C1)N E101873 [2,0,0,0,0,0|2,0,0]=4 562 B9R1.2 CCC1=CC(=CC=C1)O E156226 [2,0,0,0,0,0|1,0,0]=3 563 B9R1.2 CCC1=CC=CC(=C1)C E113367 [2,0,0,0,0,0|2,0,0]=4 564 B9R1.2 CC[N+]1=CC=CC(=C1)O E472644 [2,0,0,0,0,0|2,0,0]=4 565 B9R1.2 CNC1=CC(=CC=C1)Br B194483 [2,0,0,0,0,0|2,0,0]=4 566 B9R1.2 CNC1=CC(=CC=C1)Cl C153906 [2,0,0,0,0,0|2,0,0]=4 567 B9R1.2 CNC1=CC(=CC=C1)F F168315 [2,0,0,0,0,0|2,0,0]=4 568 B9R1.2 CNC1=CC(=CC=C1)O M587311 [2,0,0,0,0,0|1,0,0]=3 569 B9R1.2 COC1=CC(=CC=C1)Br B100846 [2,0,0,0,0,0|1,0,0]=3 570 B9R1.2 COC1=CC(=CC=C1)Cl C106486 [2,0,0,0,0,0|1,0,0]=3 571 B9R1.2 COC1=CC(=CC=C1)F F120587 [2,0,0,0,0,0|1,0,0]=3 572 B9R1.2 COC1=CC(=CC=C1)I I123674 [2,0,0,0,0,0|1,0,0]=3 573 B9R1.2 COC1=CC(=CC=C1)S M101779 [2,0,0,0,0,0|0,1,0]=3 574 B9R1.2 COC1=CC(=CN=C1)Br B115755 [2,0,0,0,0,0|2,0,0]=4 575 B9R1.2 COC1=CC(=CN=C1)Cl C479903 [2,0,0,0,0,0|2,0,0]=4 576 B9R1.2 COC1=CC(=NC=C1)Cl C119393 [2,0,0,0,0,0|2,0,0]=4 577 B9R1.2 COC1=CC(=NC=C1)F F182150 [2,0,0,0,0,0|2,0,0]=4 578 B9R1.2 COC1=CC(=NC=C1)N A151667 [2,0,0,0,0,0|2,0,0]=4 579 B9R1.2 COC1=CC=CC(=C1)N A107482 [2,0,0,0,0,0|1,0,0]=3 580 B9R1.2 COC1=CC=CC(=C1)O M109432 [2,0,0,0,0,0|0,0,0]=2 581 B9R1.2 COC1=CC=CC(=C1)[CH2-] M300737 [2,0,0,0,0,0|1,0,0]=3 582 B9R1.2 COC1=CC=CC(=N1)N A119397 [2,0,0,0,0,0|2,0,0]=4 583 B9R1.2 COC1=CN=CC(=C1)O W132603 [2,0,0,0,0,0|1,0,0]=3 584 B9R1.2 COC1=NC(=CC=C1)Br B115753 [2,0,0,0,0,0|2,0,0]=4 585 B9R1.2 COC1=NC(=CC=C1)Cl C115751 [2,0,0,0,0,0|2,0,0]=4 586 B9R1.2 COC1=NC(=CC=C1)F F179764 [2,0,0,0,0,0|2,0,0]=4 587 B9R1.2 COC1=NC(=CC=C1)I I168070 [2,0,0,0,0,0|2,0,0]=4 588 B9R1.2 COC1=NC=CC(=C1)Br B178692 [2,0,0,0,0,0|2,0,0]=4 589 B9R1.2 COC1=NC=CC(=C1)Cl C186239 [2,0,0,0,0,0|2,0,0]=4 590 B9R1.2 COC1=NC=CC(=C1)N M119976 [2,0,0,0,0,0|2,0,0]=4 591 B9R1.2 CSC1=CC(=CC=C1)Br B101842 [2,0,0,0,0,0|1,1,0]=4 592 B9R1.2 CSC1=CC(=CC=C1)Cl C101839 [2,0,0,0,0,0|1,1,0]=4 593 B9R1.2 CSC1=CC=CC(=C1)F F156685 [2,0,0,0,0,0|1,1,0]=4 594 B9R1.2 CSC1=CC=CC(=C1)N M101834 [2,0,0,0,0,0|1,1,0]=4 595 B11R1.3 B(C1=CC=C(C=C1)C=O)(O)O F106771 [1,1,0,0,0,0|2,0,0]=4 596 B11R1.3 B(C1=CC=C(C=C1)OC)(O)O M109431 [1,1,0,0,0,0|1,0,1]=4 597 B11R1.3 C#CC1=CC=C(C=C1)C(=O)O E137978 [1,1,0,0,0,0|1,0,1]=4 598 B11R1.3 C#CC1=CC=C(C=C1)C(=O)[O-] S299909 [1,1,0,0,0,0|1,0,1]=4 599 B11R1.3 C1=CC(=CC=C1C#N)C(=O)Cl C153684 [1,1,0,0,0,0|2,0,0]=4 600 B11R1.3 C1=CC(=CC=C1C#N)C(=O)N C153736 [1,1,0,0,0,0|2,0,0]=4 601 B11R1.3 C1=CC(=CC=C1C#N)C(=O)O C108511 [1,1,0,0,0,0|2,0,0]=4 602 B11R1.3 C1=CC(=CC=C1C(=O)O)NN H101716 [1,1,0,0,0,0|2,0,0]=4 603 B11R1.3 C1=CC(=CC=C1C(=O)O)NN H106992 [1,1,0,0,0,0|2,0,0]=4 604 B11R1.3 C1=CC(=CC=C1C=O)C(=O)O F109559 [1,1,0,0,0,0|2,0,0]=4 605 B11R1.3 C1=CC(=CC=C1C=O)[N+](=O)[O-] N104181 [1,1,0,0,0,0|2,0,0]=4 606 B11R1.3 C1=CC(=CC=C1CBr)C(=O)O B152291 [1,1,0,0,0,0|2,0,0]=4 607 B11R1.3 C1=CC(=CC=C1CBr)C(=O)O B471433 [1,1,0,0,0,0|2,0,0]=4 608 B11R1.3 C1=CC(=CC=C1CCl)C(=O)Cl C103225 [1,1,0,0,0,0|2,0,0]=4 609 B11R1.3 C1=CC(=CC=C1CCl)C(=O)N C186877 [1,1,0,0,0,0|2,0,0]=4 610 B11R1.3 C1=CC(=CC=C1CCl)C(=O)O C137487 [1,1,0,0,0,0|2,0,0]=4 611 B11R1.3 C1=CC(=CC=C1CN)C(=O)O A111957 [1,1,0,0,0,0|2,0,0]=4 612 B11R1.3 C1=CC(=CC=C1CO)C(=O)O H117675 [1,1,0,0,0,0|2,0,0]=4 613 B11R1.3 C=CC1=CC=C(C=C1)C(=O)O V117230 [1,1,0,0,0,0|1,0,1]=4 614 B11R1.3 CC(=C)C1=CC=C(C=C1)OC M587638 [1,1,0,0,0,0|1,0,0]=3 615 B11R1.3 CC(=O)C1=CC=C(C=C1)C#N C153682 [1,1,0,0,0,0|2,0,0]=4 616 B11R1.3 CC(=O)C1=CC=C(C=C1)C=O A169740 [1,1,0,0,0,0|1,0,0]=3 617 B11R1.3 CC(=O)C1=CC=C(C=C1)NC A196189 [1,1,0,0,0,0|1,0,0]=3 618 B11R1.3 CC(=O)C1=CC=C(C=C1)OC M103875 [1,1,0,0,0,0|0,0,0]=2 619 B11R1.3 CC(=O)C1=CC=C(C=C1)SC M101852 [1,1,0,0,0,0|0,1,0]=3 620 B11R1.3 CC(=O)C1=CN=C(C=C1)OC A115779 [1,1,0,0,0,0|1,0,0]=3 621 B11R1.3 CC(C)C1=CC=C(C=C1)C=O C117706 [1,1,0,0,0,0|1,0,0]=3 622 B11R1.3 CC(C)C1=CC=C(C=C1)OC I157470 [1,1,0,0,0,0|1,0,1]=4 623 B11R1.3 CC(C1=CC=C(C=C1)OC)N M100571 [1,1,0,0,0,0|1,0,1]=4 624 B11R1.3 CC(C1=CC=C(C=C1)OC)N M106421 [1,1,0,0,0,0|1,0,1]=4 625 B11R1.3 CC(C1=CC=C(C=C1)OC)N M185667 [1,1,0,0,0,0|1,0,1]=4 626 B11R1.3 CC(C1=CC=C(C=C1)OC)O M169629 [1,1,0,0,0,0|0,0,2]=4 627 B11R1.3 CCC1=CC=C(C=C1)C(=O)C E156360 [1,1,0,0,0,0|1,0,0]=3 628 B11R1.3 CCC1=CC=C(C=C1)C(=O)Cl E103224 [1,1,0,0,0,0|1,0,0]=3 629 B11R1.3 CCC1=CC=C(C=C1)C(=O)O E156333 [1,1,0,0,0,0|1,0,0]=3 630 B11R1.3 CCC1=CC=C(C=C1)[N+](=O)[O-] E137916 [1,1,0,0,0,0|2,0,0]=4 631 B11R1.3 CN(C)C1=CC=C(C=C1)C=C N588011 [1,1,0,0,0,0|2,0,0]=4 632 B11R1.3 CN(C)C1=CC=C(C=C1)C=O D109640 [1,1,0,0,0,0|1,0,0]=3 633 B11R1.3 CN(C)C1=CC=C(C=C1)C=O D109644 [1,1,0,0,0,0|1,0,0]=3 634 B11R1.3 CN(C)C1=CC=C(C=C1)C=O D278973 [1,1,0,0,0,0|1,0,0]=3 635 B11R1.3 CN(C)C1=CC=C(C=C1)N=O N159022 [1,1,0,0,0,0|2,0,0]=4 636 B11R1.3 CN(C)C1=CC=C(C=C1)OC M194673 [1,1,0,0,0,0|2,0,0]=4 637 B11R1.3 CNC1=CC=C(C=C1)C(=O)O M158381 [1,1,0,0,0,0|1,0,0]=3 638 B11R1.3 CNC1=CC=C(C=C1)[N+](=O)[O-] M140177 [1,1,0,0,0,0|2,0,0]=4 639 B11R1.3 COC1=CC=C(C=C1)C(=N)N M158469 [1,1,0,0,0,0|1,0,0]=3 640 B11R1.3 COC1=CC=C(C=C1)C(=O)Cl M100611 [1,1,0,0,0,0|0,0,0]=2 641 B11R1.3 COC1=CC=C(C=C1)C(=O)N M158329 [1,1,0,0,0,0|0,0,0]=2 642 B11R1.3 COC1=CC=C(C=C1)C(=O)O M104368 [1,1,0,0,0,0|0,0,0]=2 643 B11R1.3 COC1=CC=C(C=C1)C(=O)O M119543 [1,1,0,0,0,0|0,0,0]=2 644 B11R1.3 COC1=CC=C(C=C1)C(=S)N M101893 [1,1,0,0,0,0|0,1,0]=3 645 B11R1.3 COC1=CC=C(C=C1)[N+](=O)[O-] N105584 [1,1,0,0,0,0|1,0,0]=3 646 B11R1.3 COC1=CN=C(C=C1)C(=N)N M586506 [1,1,0,0,0,0|2,0,0]=4 647 B11R1.3 COC1=NC=C(C=C1)C(=O)N J413630 [1,1,0,0,0,0|1,0,0]=3 648 B11R1.3 COC1=NC=C(C=C1)C(=O)O M185906 [1,1,0,0,0,0|1,0,0]=3 649 B11R1.3 COC1=NC=C(C=C1)[N+](=O)[O-] M158827 [1,1,0,0,0,0|2,0,0]=4 650 B11R1.3 COC1=NC=C(N=C1)C(=O)O M339526 [1,1,0,0,0,0|2,0,0]=4 651 B11R1.3 COC1=NN=C(C=C1)C(=O)O M176803 [1,1,0,0,0,0|2,0,0]=4 652 B11R1.3 CSC1=CC=C(C=C1)C(=O)O M158295 [1,1,0,0,0,0|0,1,0]=3 653 B11R1.3 CSC1=CC=C(C=C1)[N+](=O)[O-] N101833 [1,1,0,0,0,0|1,1,0]=4 654 B11R1.83 CC=CC1=CC=C(C=C1)OC A111314 [1,1,0,0,0,0|1,0,0]=3 655 B11R1.83 CC=CC1=CC=C(C=C1)OC A119294 [1,1,0,0,0,0|1,0,0]=3 656 B11R1.83 CC=CC1=CC=C(C=C1)OC P136392 [1,1,0,0,0,0|1,0,0]=3 657 B11R1.83 CC=CC1=CC=C(C=C1)OC T423891 [1,1,0,0,0,0|1,0,0]=3 658 B11R1.83 CCC1=CC=C(C=C1)N=C=O E156038 [1,1,0,0,0,0|1,0,1]=4 659 B11R1.83 CCC1=CC=C(C=C1)OCC E156094 [1,1,0,0,0,0|1,0,1]=4 660 B11R1.83 CCCC1=CC=C(C=C1)C=O P135756 [1,1,0,0,0,0|1,0,0]=3 661 B11R1.83 CCCC1=CC=C(C=C1)OC M586236 [1,1,0,0,0,0|1,0,1]=4 662 B11R1.83 CCOC1=CC=C(C=C1)C#C E156344 [1,1,0,0,0,0|1,0,1]=4 663 B11R1.83 CCOC1=CC=C(C=C1)C#N E156327 [1,1,0,0,0,0|1,0,1]=4 664 B11R1.83 CCOC1=CC=C(C=C1)C=C E477029 [1,1,0,0,0,0|1,0,0]=3 665 B11R1.83 CCOC1=CC=C(C=C1)C=O E137923 [1,1,0,0,0,0|0,0,0]=2 666 B11R1.83 CCOC1=CC=C(C=C1)CCl C194480 [1,1,0,0,0,0|1,0,1]=4 667 B11R1.83 CCOC1=CC=C(C=C1)CO E156108 [1,1,0,0,0,0|0,0,2]=4 668 B11R1.83 CNCC1=CC=C(C=C1)OC M121878 [1,1,0,0,0,0|1,0,1]=4 669 B11R1.83 CNCC1=CC=C(C=C1)OC M187530 [1,1,0,0,0,0|1,0,1]=4 670 B11R1.83 COC1=CC=C(C=C1)CC#N M124732 [1,1,0,0,0,0|1,0,1]=4 671 B11R1.83 COC1=CC=C(C=C1)CC=C A151340 [1,1,0,0,0,0|1,0,0]=3 672 B11R1.83 COC1=CC=C(C=C1)CC=C A421524 [1,1,0,0,0,0|1,0,0]=3 673 B11R1.83 COC1=CC=C(C=C1)CC=O M193998 [1,1,0,0,0,0|0,0,0]=2 674 B11R1.83 COC1=CC=C(C=C1)CCBr M353698 [1,1,0,0,0,0|1,0,1]=4 675 B11R1.83 COC1=CC=C(C=C1)CCN M106422 [1,1,0,0,0,0|1,0,1]=4 676 B11R1.83 COC1=CC=C(C=C1)CCO M124605 [1,1,0,0,0,0|0,0,2]=4 677 B11R1.83 COC1=CC=C(C=C1)CCO M493169 [1,1,0,0,0,0|0,0,2]=4 678 B11R1.83 COC1=CC=C(C=C1)CNN M175563 [1,1,0,0,0,0|1,0,1]=4 679 B11R1.83 COC1=CC=C(C=C1)CON A479616 [1,1,0,0,0,0|0,0,2]=4 680 B11R1.83 COC1=CC=C(C=C1)N=C=O M157830 [1,1,0,0,0,0|0,0,1]=3 681 B11R1.83 COC1=CC=C(C=C1)N=C=S M140587 [1,1,0,0,0,0|0,1,1]=4 682 B11R1.83 COC1=CC=C(C=C1)N=C=S M473065 [1,1,0,0,0,0|0,1,1]=4 683 B11R1.83 COC1=CC=C(C=C1)NC=O M158339 [1,1,0,0,0,0|0,0,0]=2 684 B11R1.83 COC1=CC=C(C=C1)OC#N M300697 [1,1,0,0,0,0|1,0,1]=4 685 B11R1.83 COCC1=CC=C(C=C1)OC M158116 [1,1,0,0,0,0|0,0,2]=4 686 B11R1.83 CSC1=CC=C(C=C1)N=C=O M167730 [1,1,0,0,0,0|0,1,1]=4 687 B11R1.37 CC1=CC(=C(C=C1)C=O)OC M589533 [1,1,0,0,0,0|0,0,0]=2 688 B11R1.37 CC1=CC(=C(C=C1)OC)OC B135636 [1,1,0,0,0,0|2,0,0]=4 689 B11R1.37 COC1=C(C=C(C=C1)O)OC D107922 [1,1,0,0,0,0|2,0,0]=4 690 B11R1.37 COC1=C(C=CC(=C1)Br)C=O B124176 [1,1,0,0,0,0|1,0,0]=3 691 B11R1.37 COC1=C(C=CC(=C1)Cl)C=O C193805 [1,1,0,0,0,0|1,0,0]=3 692 B11R1.37 COC1=C(C=CC(=C1)F)C=O F124184 [1,1,0,0,0,0|1,0,0]=3 693 B11R1.37 COC1=C(C=CC(=C1)O)C=O H132034 [1,1,0,0,0,0|0,0,0]=2 694 B11R1.37 COC1=C(C=CC(=N1)Cl)C=O C469905 [1,1,0,0,0,0|2,0,0]=4 695 B11R1.37 COC1=C(N=CC(=C1)Br)C=O B165855 [1,1,0,0,0,0|2,0,0]=4 696 B11R1.166 C1=CC(=C(C=C1Br)Br)C(=O)O D123768 [1,1,0,0,0,0|2,0,0]=4 697 B11R1.166 C1=CC(=C(C=C1Br)Br)C(=O)O D154849 [1,1,0,0,0,0|2,0,0]=4 698 B11R1.166 C1=CC(=C(C=C1Br)Cl)C(=O)O B152314 [1,1,0,0,0,0|2,0,0]=4 699 B11R1.166 C1=CC(=C(C=C1Br)F)C(=O)Cl B132257 [1,1,0,0,0,0|2,0,0]=4 700 B11R1.166 C1=CC(=C(C=C1Br)F)C(=O)O B152368 [1,1,0,0,0,0|2,0,0]=4 701 B11R1.166 C1=CC(=C(C=C1Br)I)C(=O)O B586421 [1,1,0,0,0,0|2,0,0]=4 702 B11R1.166 C1=CC(=C(C=C1Br)N)C(=O)O A120954 [1,1,0,0,0,0|2,0,0]=4 703 B11R1.166 C1=CC(=C(C=C1Br)O)C(=O)O B111419 [1,1,0,0,0,0|1,0,0]=3 704 B11R1.166 C1=CC(=C(C=C1Br)O)[N+](=O)[O-] W137561 [1,1,0,0,0,0|2,0,0]=4 705 B11R1.166 C1=CC(=C(C=C1Cl)Br)C(=O)O B139463 [1,1,0,0,0,0|2,0,0]=4 706 B11R1.166 C1=CC(=C(C=C1Cl)Cl)C(=O)Cl D100633 [1,1,0,0,0,0|2,0,0]=4 707 B11R1.166 C1=CC(=C(C=C1Cl)Cl)C(=O)N D154877 [1,1,0,0,0,0|2,0,0]=4 708 B11R1.166 C1=CC(=C(C=C1Cl)Cl)C(=O)O D104404 [1,1,0,0,0,0|2,0,0]=4 709 B11R1.166 C1=CC(=C(C=C1Cl)Cl)C(=O)O D104405 [1,1,0,0,0,0|2,0,0]=4 710 B11R1.166 C1=CC(=C(C=C1Cl)F)C(=O)O C120446 [1,1,0,0,0,0|2,0,0]=4 711 B11R1.166 C1=CC(=C(C=C1Cl)I)C(=O)O C123922 [1,1,0,0,0,0|2,0,0]=4 712 B11R1.166 C1=CC(=C(C=C1Cl)N)C(=O)N A185419 [1,1,0,0,0,0|2,0,0]=4 713 B11R1.166 C1=CC(=C(C=C1Cl)N)C(=O)O A101215 [1,1,0,0,0,0|2,0,0]=4 714 B11R1.166 C1=CC(=C(C=C1Cl)O)C(=O)O C123920 [1,1,0,0,0,0|1,0,0]=3 715 B11R1.166 C1=CC(=C(C=C1F)Br)C(=O)O B120666 [1,1,0,0,0,0|2,0,0]=4 716 B11R1.166 C1=CC(=C(C=C1F)Cl)C(=O)Cl W135364 [1,1,0,0,0,0|2,0,0]=4 717 B11R1.166 C1=CC(=C(C=C1F)Cl)C(=O)O C120960 [1,1,0,0,0,0|2,0,0]=4 718 B11R1.166 C1=CC(=C(C=C1F)F)C(=O)Cl D134834 [1,1,0,0,0,0|2,0,0]=4 719 B11R1.166 C1=CC(=C(C=C1F)F)C(=O)N W137074 [1,1,0,0,0,0|2,0,0]=4 720 B11R1.166 C1=CC(=C(C=C1F)F)C(=O)O D124500 [1,1,0,0,0,0|2,0,0]=4 721 B11R1.166 C1=CC(=C(C=C1F)I)C(=O)O F120989 [1,1,0,0,0,0|2,0,0]=4 722 B11R1.166 C1=CC(=C(C=C1F)N)C(=O)O F156606 [1,1,0,0,0,0|2,0,0]=4 723 B11R1.166 C1=CC(=C(C=C1F)O)C(=O)O F133808 [1,1,0,0,0,0|1,0,0]=3 724 B11R1.166 C1=CC(=C(C=C1F)O)[N+](=O)[O-] F123523 [1,1,0,0,0,0|2,0,0]=4 725 B11R1.166 C1=CC(=C(C=C1I)Br)C(=O)O B491580 [1,1,0,0,0,0|2,0,0]=4 726 B11R1.166 C1=CC(=C(C=C1I)Cl)C(=O)O C153752 [1,1,0,0,0,0|2,0,0]=4 727 B11R1.166 C1=CC(=C(C=C1I)O)C(=O)O H167820 [1,1,0,0,0,0|1,0,0]=3 728 B11R1.166 C1=CC(=C(C=C1I)O)[N+](=O)[O-] I588533 [1,1,0,0,0,0|2,0,0]=4 729 B11R1.166 C1=CC(=C(C=C1N)Cl)C(=O)N A168543 [1,1,0,0,0,0|2,0,0]=4 730 B11R1.166 C1=CC(=C(C=C1N)Cl)C(=O)O A123909 [1,1,0,0,0,0|2,0,0]=4 731 B11R1.166 C1=CC(=C(C=C1N)F)C(=O)O A120664 [1,1,0,0,0,0|2,0,0]=4 732 B11R1.166 C1=CC(=C(C=C1N)O)C(=O)O A105007 [1,1,0,0,0,0|1,0,0]=3 733 B11R1.166 C1=CC(=C(C=C1N)O)C(=O)O P337788 [1,1,0,0,0,0|1,0,0]=3 734 B11R1.166 C1=CC(=C(C=C1N)O)C(=O)O P422509 [1,1,0,0,0,0|1,0,0]=3 735 B11R1.166 C1=CC(=C(C=C1N)O)C(=O)[O-] S115316 [1,1,0,0,0,0|1,0,0]=3 736 B11R1.166 C1=CC(=C(C=C1N)O)C(=O)[O-] S302405 [1,1,0,0,0,0|1,0,0]=3 737 B11R1.166 C1=CC(=C(C=C1O)Br)C(=O)O B588568 [1,1,0,0,0,0|1,0,0]=3 738 B11R1.166 C1=CC(=C(C=C1O)Br)[N+](=O)[O-] B193871 [1,1,0,0,0,0|2,0,0]=4 739 B11R1.166 C1=CC(=C(C=C1O)Cl)C(=O)O C123874 [1,1,0,0,0,0|1,0,0]=3 740 B11R1.166 C1=CC(=C(C=C1O)F)C(=O)O F123925 [1,1,0,0,0,0|1,0,0]=3 741 B11R1.166 C1=CC(=C(C=C1O)F)[N+](=O)[O-] F101739 [1,1,0,0,0,0|2,0,0]=4 742 B11R1.166 C1=CC(=C(C=C1O)F)[N+](=O)[O-] F397347 [1,1,0,0,0,0|2,0,0]=4 743 B11R1.166 C1=CC(=C(C=C1O)O)C(=O)N D155337 [1,1,0,0,0,0|0,0,0]=2 744 B11R1.166 C1=CC(=C(C=C1O)O)C(=O)O D104371 [1,1,0,0,0,0|0,0,0]=2 745 B11R1.166 C1=CC(=C(C=C1O)O)[N+](=O)[O-] N303420 [1,1,0,0,0,0|1,0,0]=3 746 B11R1.166 CC(=O)C1=C(C=C(C=C1)Br)Br D136552 [1,1,0,0,0,0|2,0,0]=4 747 B11R1.166 CC(=O)C1=C(C=C(C=C1)Br)Cl B192317 [1,1,0,0,0,0|2,0,0]=4 748 B11R1.166 CC(=O)C1=C(C=C(C=C1)Br)F B171235 [1,1,0,0,0,0|2,0,0]=4 749 B11R1.166 CC(=O)C1=C(C=C(C=C1)Br)N A190249 [1,1,0,0,0,0|2,0,0]=4 750 B11R1.166 CC(=O)C1=C(C=C(C=C1)Br)O B135067 [1,1,0,0,0,0|1,0,0]=3 751 B11R1.166 CC(=O)C1=C(C=C(C=C1)Cl)Br B186775 [1,1,0,0,0,0|2,0,0]=4 752 B11R1.166 CC(=O)C1=C(C=C(C=C1)Cl)Cl D132842 [1,1,0,0,0,0|2,0,0]=4 753 B11R1.166 CC(=O)C1=C(C=C(C=C1)Cl)F C182148 [1,1,0,0,0,0|2,0,0]=4 754 B11R1.166 CC(=O)C1=C(C=C(C=C1)Cl)O C153948 [1,1,0,0,0,0|1,0,0]=3 755 B11R1.166 CC(=O)C1=C(C=C(C=C1)F)Br B123248 [1,1,0,0,0,0|2,0,0]=4 756 B11R1.166 CC(=O)C1=C(C=C(C=C1)F)Cl C133992 [1,1,0,0,0,0|2,0,0]=4 757 B11R1.166 CC(=O)C1=C(C=C(C=C1)F)F D123991 [1,1,0,0,0,0|2,0,0]=4 758 B11R1.166 CC(=O)C1=C(C=C(C=C1)F)O F123259 [1,1,0,0,0,0|1,0,0]=3 759 B11R1.166 CC(=O)C1=C(C=C(C=C1)N)Cl A590000 [1,1,0,0,0,0|2,0,0]=4 760 B11R1.166 CC(=O)C1=C(C=C(C=C1)N)O A183120 [1,1,0,0,0,0|1,0,0]=3 761 B11R1.166 CC(=O)C1=C(C=C(C=C1)O)Br B194221 [1,1,0,0,0,0|1,0,0]=3 762 B11R1.166 CC(=O)C1=C(C=C(C=C1)O)F F124233 [1,1,0,0,0,0|1,0,0]=3 763 B11R1.166 CC(=O)C1=C(C=C(C=C1)O)O D103149 [1,1,0,0,0,0|0,0,0]=2 764 B11R1.166 CC(C)C1=C(C=C(C=C1)O)O I588310 [1,1,0,0,0,0|1,0,1]=4 765 B11R1.166 CC1=C(C=CC(=C1)Br)C(=O)O B152290 [1,1,0,0,0,0|2,0,0]=4 766 B11R1.166 CC1=C(C=CC(=C1)Cl)C(=O)C C588908 [1,1,0,0,0,0|2,0,0]=4 767 B11R1.166 CC1=C(C=CC(=C1)Cl)C(=O)O C123923 [1,1,0,0,0,0|2,0,0]=4 768 B11R1.166 CC1=C(C=CC(=C1)F)C(=O)C F336011 [1,1,0,0,0,0|2,0,0]=4 769 B11R1.166 CC1=C(C=CC(=C1)F)C(=O)Cl F337879 [1,1,0,0,0,0|2,0,0]=4 770 B11R1.166 CC1=C(C=CC(=C1)F)C(=O)O F156728 [1,1,0,0,0,0|2,0,0]=4 771 B11R1.166 CC1=C(C=CC(=C1)I)C(=O)O L573533 [1,1,0,0,0,0|2,0,0]=4 772 B11R1.166 CC1=C(C=CC(=C1)N)C(=O)O A133080 [1,1,0,0,0,0|2,0,0]=4 773 B11R1.166 CC1=C(C=CC(=C1)O)C(=O)C H124612 [1,1,0,0,0,0|1,0,0]=3 774 B11R1.166 CC1=C(C=CC(=C1)O)C(=O)O H139023 [1,1,0,0,0,0|1,0,0]=3 775 B11R1.166 CC1=C(C=CC(=C1)O)[N+](=O)[O-] N159535 [1,1,0,0,0,0|2,0,0]=4 776 B11R1.166 CC1=CC(=C(C=C1)C(=O)C)C D108574 [1,1,0,0,0,0|1,0,0]=3 777 B11R1.166 CC1=CC(=C(C=C1)C(=O)C)O H156900 [1,1,0,0,0,0|0,0,0]=2 778 B11R1.166 CC1=CC(=C(C=C1)C(=O)Cl)C D301998 [1,1,0,0,0,0|1,0,0]=3 779 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)Br B123862 [1,1,0,0,0,0|1,0,0]=3 780 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)C D101977 [1,1,0,0,0,0|1,0,0]=3 781 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)Cl C186521 [1,1,0,0,0,0|1,0,0]=3 782 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)F F120565 [1,1,0,0,0,0|1,0,0]=3 783 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)N A151592 [1,1,0,0,0,0|1,0,0]=3 784 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)O M111847 [1,1,0,0,0,0|0,0,0]=2 785 B11R1.166 CC1=CC(=C(C=C1)C(C)C)O T104425 [1,1,0,0,0,0|1,0,1]=4 786 B11R1.166 CC1=CC(=C(C=C1)C(C)C)O T104426 [1,1,0,0,0,0|1,0,1]=4 787 B11R1.166 CC1=CC(=C(C=C1)C(C)C)O T118449 [1,1,0,0,0,0|1,0,1]=4 788 B11R1.166 CC1=CC(=C(C=C1)C(C)C)O T426745 [1,1,0,0,0,0|1,0,1]=4 789 B11R1.166 CC1=CC(=C(C=C1)[N+](=O)[O-])Br B589021 [1,1,0,0,0,0|2,0,0]=4 790 B11R1.166 CC1=CC(=C(C=C1)[N+](=O)[O-])C D111670 [1,1,0,0,0,0|2,0,0]=4 791 B11R1.166 CC1=CC(=C(C=C1)[N+](=O)[O-])Cl C123610 [1,1,0,0,0,0|2,0,0]=4 792 B11R1.166 CC1=CC(=C(C=C1)[N+](=O)[O-])F F120690 [1,1,0,0,0,0|2,0,0]=4 793 B11R1.166 CC1=CC(=C(C=C1)[N+](=O)[O-])F H102030 [1,1,0,0,0,0|2,0,0]=4 794 B11R1.166 CC1=CC(=C(C=C1)[N+](=O)[O-])N M467901 [1,1,0,0,0,0|2,0,0]=4 795 B11R1.166 CC1=CC(=C(C=C1)[N+](=O)[O-])N W136670 [1,1,0,0,0,0|2,0,0]=4 796 B11R1.166 CC1=CC(=C(C=C1)[N+](=O)[O-])O N159530 [1,1,0,0,0,0|1,0,0]=3 797 B11R1.166 CC1=CC(=C(N=C1)C(=O)O)Br B190106 [1,1,0,0,0,0|2,0,0]=4 798 B11R1.166 CC1=CC(=O)C(=CN1)C(=O)O H185945 [1,1,0,0,0,0|1,0,1]=4 799 B11R1.166 CC1=CC=C(C(=O)N1)C(=O)O H113437 [1,1,0,0,0,0|1,0,1]=4 800 B11R1.166 CC1=NC(=C(C=C1)C(=O)O)C D185385 [1,1,0,0,0,0|2,0,0]=4 801 B11R1.166 CC1=NC(=C(C=C1)C(=O)O)Cl C122461 [1,1,0,0,0,0|2,0,0]=4 802 B11R1.166 CC1=NC(=C(C=C1)C(=O)O)N A177594 [1,1,0,0,0,0|2,0,0]=4 803 B11R1.166 C[S+](C)C1=C(C=C(C=C1)O)O D349670 [1,1,0,0,0,0|2,0,0]=4 804 B11R1.166 NC1=CC(=C(C=C1)C([O-])=O)O S408715 [1,1,0,0,0,0|1,0,0]=3 805 B11R1.277 C1=C(C(=CC(=C1Cl)Br)F)C=O B587482 [1,1,0,0,0,0|2,0,0]=4 806 B11R1.277 C1=C(C(=CC(=C1Cl)O)O)C=O C302355 [1,1,0,0,0,0|0,0,0]=2 807 B11R1.277 C1=C(C(=CC(=C1F)Br)Cl)C=O C578596 [1,1,0,0,0,0|2,0,0]=4 808 B11R1.277 C1=C(C(=CC(=C1F)Br)F)C=O B183997 [1,1,0,0,0,0|2,0,0]=4 809 B11R1.277 C1=C(C(=CC(=C1F)Cl)F)C=O C187567 [1,1,0,0,0,0|2,0,0]=4 810 B11R1.277 C1=C(C(=CC(=C1F)F)Br)C=O B184679 [1,1,0,0,0,0|2,0,0]=4 811 B11R1.277 C1=C(C(=CC(=C1F)F)F)C=O T161511 [1,1,0,0,0,0|2,0,0]=4 812 B11R1.277 C1=C(C(=CC(=C1F)F)O)C=O B131832 [1,1,0,0,0,0|1,0,0]=3 813 B11R1.277 C1=C(C(=CC(=C1F)O)F)C=O D124138 [1,1,0,0,0,0|1,0,0]=3 814 B11R1.277 CC1=CC(=C(C=C1C)C=O)C T162651 [1,1,0,0,0,0|1,0,0]=3 815 B11R1.278 C1=CC(=C(C(=C1C=O)F)Cl)Cl D578619 [1,1,0,0,0,0|2,0,0]=4 816 B11R1.278 C1=CC(=C(C(=C1C=O)F)F)Br B194378 [1,1,0,0,0,0|2,0,0]=4 817 B11R1.278 C1=CC(=C(C(=C1C=O)F)F)F T161510 [1,1,0,0,0,0|2,0,0]=4 818 B11R1.278 C1=CC(=C(C(=C1C=O)O)O)O T107278 [1,1,0,0,0,0|0,0,0]=2 819 B11R1.278 CC1=C(C(=C(C=C1)C=O)F)F D183110 [1,1,0,0,0,0|1,0,0]=3 820 B11R1.278 CC1=C(C=CC(=C1O)C=O)O D194257 [1,1,0,0,0,0|0,0,0]=2 821 B11R1.464 C1=C(C=C(C(=C1Cl)C=O)Cl)Br B586388 [1,1,0,0,0,0|2,0,0]=4 822 B11R1.464 C1=C(C=C(C(=C1Cl)C=O)Cl)Cl T192274 [1,1,0,0,0,0|2,0,0]=4 823 B11R1.464 C1=C(C=C(C(=C1Cl)C=O)Cl)O D330755 [1,1,0,0,0,0|1,0,0]=3 824 B11R1.464 C1=C(C=C(C(=C1F)C=O)Br)Br D182650 [1,1,0,0,0,0|2,0,0]=4 825 B11R1.464 C1=C(C=C(C(=C1F)C=O)F)Br B122611 [1,1,0,0,0,0|2,0,0]=4 826 B11R1.464 C1=C(C=C(C(=C1F)C=O)F)Cl C169037 [1,1,0,0,0,0|2,0,0]=4 827 B11R1.464 C1=C(C=C(C(=C1F)C=O)F)F T124135 [1,1,0,0,0,0|2,0,0]=4 828 B11R1.464 C1=C(C=C(C(=C1F)C=O)F)O D124140 [1,1,0,0,0,0|1,0,0]=3 829 B11R1.464 C1=C(C=C(C(=C1O)C=O)Cl)Cl D134853 [1,1,0,0,0,0|1,0,0]=3 830 B11R1.464 C1=C(C=C(C(=C1O)C=O)O)O T161492 [1,1,0,0,0,0|0,0,0]=2 831 B11R1.464 CC1=CC(=C(C(=C1)C)C=C)C T161978 [1,1,0,0,0,0|2,0,0]=4 832 B11R1.464 CC1=CC(=C(C(=C1)C)C=O)C M109959 [1,1,0,0,0,0|1,0,0]=3 833 B11R1.464 CC1=CC(=CC(=C1C=O)C)Br B589541 [1,1,0,0,0,0|2,0,0]=4 834 B11R1.464 CC1=CC(=CC(=C1C=O)C)O D189189 [1,1,0,0,0,0|1,0,0]=3 835 B11R1.464 CC1=CC(=CC(=C1C=O)O)O D589243 [1,1,0,0,0,0|0,0,0]=2 836 B11R1.14 CC1=CC(=CC(=C1N)C)OC M192894 [1,1,0,0,0,0|2,0,0]=4 837 B11R1.14 COC1=CC(=C(C(=C1)Br)O)N A405658 [1,1,0,0,0,0|1,0,1]=4 838 B11R1.14 COC1=CC(=C(C(=C1)Cl)Br)Cl B587675 [1,1,0,0,0,0|2,0,0]=4 839 B11R1.14 COC1=CC(=C(C(=C1)F)Br)F B115515 [1,1,0,0,0,0|2,0,0]=4 840 B11R1.14 COC1=CC(=C(C(=C1)F)N)F D132648 [1,1,0,0,0,0|2,0,0]=4 841 B11R1.14 COC1=CC(=C(C(=C1)F)O)F D187750 [1,1,0,0,0,0|1,0,1]=4 842 B11R1.21 CC(=O)C1=CC(=C(C=C1)O)O D138090 [1,1,0,0,0,0|1,0,1]=4 843 B11R1.21 CC1=C(C=C(C=C1)C(C)C)O C107162 [1,1,0,0,0,0|1,0,1]=4 844 B11R1.21 CC1=C(C=C(C=C1)C(C)C)O C424298 [1,1,0,0,0,0|1,0,1]=4 845 B11R1.192 C1=CC(=C(C=C1CCN)O)O A303863 [1,1,0,0,0,0|1,0,1]=4 846 B11R1.192 C1=CC(=C(C=C1CCN)O)O A303864 [1,1,0,0,0,0|1,0,1]=4 847 B11R1.192 C1=CC(=C(C=C1CCN)O)O D103111 [1,1,0,0,0,0|1,0,1]=4 848 B11R1.192 C1=CC(=C(C=C1CCN)O)O D121757 [1,1,0,0,0,0|1,0,1]=4 849 B11R1.192 C1=CC(=C(C=C1CCN)O)O H350369 [1,1,0,0,0,0|1,0,1]=4 850 B11R1.192 C1=CC(=C(C=C1CCO)O)O H107675 [1,1,0,0,0,0|1,0,1]=4 851 B11R1.192 C1=CC(=C(C=C1CCO)O)O H306005 [1,1,0,0,0,0|1,0,1]=4 852 B11R1.192 C1=CC(=C(C=C1CCO)O)O H420486 [1,1,0,0,0,0|1,0,1]=4 853 B11R1.192 CCCC1=CC(=C(C=C1)O)O P588420 [1,1,0,0,0,0|1,0,1]=4 854 B11R1.192 CCOC1=CC(=C(C=C1)N)N E478624 [1,1,0,0,0,0|2,0,0]=4 855 B11R1.192 NCCC1=CC(=C(O)C=C1)O D408026 [1,1,0,0,0,0|1,0,1]=4 856 B11R1.280 CC1=C(C=C(C=C1)OC)OC D170028 [1,1,0,0,0,0|0,0,1]=3 857 B11R1.280 CCC1=CC(=C(C=C1)O)OC E111257 [1,1,0,0,0,0|1,0,1]=4 858 B11R1.280 COC1=CC(=C(C=C1)Br)C#N B167154 [1,1,0,0,0,0|2,0,0]=4 859 B11R1.280 COC1=CC(=C(C=C1)Br)C=O B120909 [1,1,0,0,0,0|1,0,1]=4 860 B11R1.280 COC1=CC(=C(C=C1)Br)CBr B122700 [1,1,0,0,0,0|2,0,0]=4 861 B11R1.280 COC1=CC(=C(C=C1)Br)CO B181646 [1,1,0,0,0,0|1,0,0]=3 862 B11R1.280 COC1=CC(=C(C=C1)Br)OC B111192 [1,1,0,0,0,0|1,0,0]=3 863 B11R1.280 COC1=CC(=C(C=C1)Cl)C=O C587089 [1,1,0,0,0,0|1,0,1]=4 864 B11R1.280 COC1=CC(=C(C=C1)F)C#N F123975 [1,1,0,0,0,0|2,0,0]=4 865 B11R1.280 COC1=CC(=C(C=C1)F)C=O F113846 [1,1,0,0,0,0|1,0,1]=4 866 B11R1.280 COC1=CC(=C(C=C1)F)OC F167967 [1,1,0,0,0,0|1,0,0]=3 867 B11R1.280 COC1=CC(=C(C=C1)I)OC D155503 [1,1,0,0,0,0|1,0,0]=3 868 B11R1.280 COC1=CC(=C(C=C1)N)C#N A168906 [1,1,0,0,0,0|2,0,0]=4 869 B11R1.280 COC1=CC(=C(C=C1)N)CO A589468 [1,1,0,0,0,0|1,0,0]=3 870 B11R1.280 COC1=CC(=C(C=C1)O)C#N H588994 [1,1,0,0,0,0|1,0,1]=4 871 B11R1.280 COC1=CC(=C(C=C1)O)C=O H113429 [1,1,0,0,0,0|0,0,2]=4 872 B11R1.280 COC1=CC(=C(C=C1)O)OC D190590 [1,1,0,0,0,0|0,0,1]=3 873 B11R1.280 COC1=CC(=C(C=C1)S)OC D587856 [1,1,0,0,0,0|0,1,0]=3 874 B13R1.38 CC(C)(C)C1=CC(=C(C=C1)C=O)O T334277 [0,2,0,0,0,0|1,0,0]=3 875 B13R1.120 C1=CC(=C(C=C1C(=O)O)O)C(=O)O H135049 [0,2,0,0,0,0|2,0,0]=4 876 B13R1.120 C1=CC(=C(C=C1[N+](=O)[O-])O)C(=O)O N124572 [0,2,0,0,0,0|2,0,0]=4 877 B13R1.120 CC1=C(C=CC(=C1)C(=O)C)C(=O)O A589478 [0,2,0,0,0,0|2,0,0]=4 878 B13R1.652 CC1=CC(=C(C=C1[N+](=O)[O-])N)OC M589806 [0,2,0,0,0,0|2,0,0]=4 879 B13R1.652 COC1=C(C=C(C(=C1)F)C(=O)O)F D179068 [0,2,0,0,0,0|1,0,0]=3 880 B13R1.652 COC1=C(C=C(C(=C1)I)[N+](=O)[O-])I D193889 [0,2,0,0,0,0|2,0,0]=4 881 B13R1.652 COC1=C(C=C(C(=C1)N)[N+](=O)[O-])Br B182086 [0,2,0,0,0,0|2,0,0]=4 882 B13R1.652 COC1=C(C=C(C(=C1)O)C(=O)O)Br B469922 [0,2,0,0,0,0|0,0,0]=2 883 B13R1.652 COC1=CC(=C(C=C1N)[N+](=O)[O-])F F404485 [0,2,0,0,0,0|2,0,0]=4 884 B13R1.3088 CC1=C(C=CC(=C1)C(=O)OC)C=O M588352 [0,2,0,0,0,0|1,0,0]=3 885 B13R1.3088 COC(=O)C1=CC(=C(C=C1)C=O)Br M590655 [0,2,0,0,0,0|1,0,0]=3 886 B13R1.3088 COC(=O)C1=CC(=C(C=C1)C=O)F M186393 [0,2,0,0,0,0|1,0,0]=3 887 B13R1.3088 COC(=O)C1=CC(=C(C=C1)C=O)O M588382 [0,2,0,0,0,0|0,0,0]=2 888 B13R1.3088 COC1=C(C=C(C=C1)C(=O)OC)O M136715 [0,2,0,0,0,0|2,0,0]=4 889 B13R1.3091 COC1=C(C=CC(=C1)[N+](=O)[O-])C=O M157808 [0,2,0,0,0,0|2,0,0]=4 890 B13R1.3096 CC(=O)C1=C(C(=C(C=C1)OC)O)O D155521 [0,2,0,0,0,0|0,0,0]=2 891 B13R1.3096 CC1=C(C=CC(=C1C)OC)[N+](=O)[O-] D122597 [0,2,0,0,0,0|2,0,0]=4 892 B13R1.3096 CC1=C(C=CC(=C1N)C(=O)C)OC A188059 [0,2,0,0,0,0|1,0,0]=3 893 B13R1.3096 COC1=C(C(=C(C=C1)C(=O)O)F)F D183727 [0,2,0,0,0,0|1,0,0]=3 894 B13R1.99 B(C1=C(C=C(C=C1)OC)OC)(O)O D115356 [0,2,0,0,0,0|1,0,1]=4 895 B13R1.99 CC(=O)C1=C(C=C(C=C1)OC)OC D154238 [0,2,0,0,0,0|0,0,0]=2 896 B13R1.99 COC1=CC(=C(C=C1)C(=O)Cl)OC D122560 [0,2,0,0,0,0|0,0,0]=2 897 B13R1.99 COC1=CC(=C(C=C1)C(=O)O)OC D154631 [0,2,0,0,0,0|0,0,0]=2 898 B13R1.99 COC1=CC(=C(C=C1)[N+](=O)[O-])C=O M191939 [0,2,0,0,0,0|1,0,1]=4 899 B13R1.99 COC1=CC(=C(C=C1)[N+](=O)[O-])OC W134173 [0,2,0,0,0,0|1,0,0]=3 900 B13R1.99 COC1=NC(=C(C=C1)C(=O)O)OC D120238 [0,2,0,0,0,0|1,0,0]=3 901 B13R1.434 COC1=CC(=C(C(=C1)OC)C=O)O D155982 [0,2,0,0,0,0|0,0,0]=2 902 B13R1.1249 CNCC1=C(C=C(C=C1)OC)OC D189379 [0,2,0,0,0,0|1,0,1]=4 903 B13R1.1249 COC1=CC(=C(C=C1)C=NO)OC D154973 [0,2,0,0,0,0|0,0,1]=3 904 B13R1.1249 COC1=CC(=C(C=C1)N=C=O)OC D469733 [0,2,0,0,0,0|0,0,1]=3 905 B13R1.1249 COC1=CC(=C(C=C1)N=C=S)OC D140551 [0,2,0,0,0,0|0,1,1]=4 906 B13R1.2200 COC1=C(C=C(C(=C1)C=O)Br)OC B129195 [0,2,0,0,0,0|1,0,0]=3 907 B13R1.2200 COC1=CC(=C(C=C1C=O)Br)OC B166888 [0,2,0,0,0,0|0,0,0]=2 908 B13R1.2200 COC1=CC(=C(C=C1OC)Br)OC B168354 [0,2,0,0,0,0|2,0,0]=4 909 B13R1.2422 CC1=C(C=CC(=C1OC)C=O)OC D474388 [0,2,0,0,0,0|0,0,0]=2 910 B13R1.2422 COC1=C(C(=C(C=C1)C=O)Cl)OC C124146 [0,2,0,0,0,0|1,0,0]=3 911 B13R1.2430 B(C1=C(C=CC(=C1)OC)OC)(O)O D103234 [0,2,0,0,0,0|2,0,0]=4 912 B13R1.2430 COC1=CC(=C(C=C1)C=O)[N+](=O)[O-] M192184 [0,2,0,0,0,0|0,0,1]=3 913 B13R1.95 CC1=C(C=CC(=C1)OC)C(=O)OC M404666 [0,2,0,0,0,0|1,0,0]=3 914 B13R1.95 CCC(=O)C1=C(C=C(C=C1)OC)O H156891 [0,2,0,0,0,0|0,0,0]=2 915 B13R1.95 COC1=CC(=C(C=C1)C(=O)OC)Br M182040 [0,2,0,0,0,0|1,0,0]=3 916 B13R1.95 COC1=CC(=C(C=C1)C(=O)OC)Cl M586230 [0,2,0,0,0,0|1,0,0]=3 917 B13R1.95 COC1=CC(=C(C=C1)C(=O)OC)N M193617 [0,2,0,0,0,0|1,0,0]=3 918 B13R1.95 COC1=CC(=C(C=C1)C(=O)OC)O M158144 [0,2,0,0,0,0|0,0,0]=2 919 B13R1.653 COC1=CC(=C(C=C1)CC(=O)O)Br B121618 [0,2,0,0,0,0|1,0,0]=3 920 B13R1.653 COC1=CC(=C(C=C1)CC(=O)O)F F122868 [0,2,0,0,0,0|1,0,0]=3 921 B13R1.426 CC1=CC(=C(C(=C1C=O)C)C)OC M404687 [0,2,0,0,0,0|1,0,0]=3 922 B13R1.428 COC1=CC(=C(C(=C1)F)C(=O)O)F D123770 [0,2,0,0,0,0|1,0,0]=3 923 B11R1.265 COC1=C(C(=CC=C1)F)C=O W131747 [0,0,1,1,0,0|1,0,1]=4 924 B11R1.265 COC1=CC=CC(=C1C=O)O H124156 [0,0,1,1,0,0|0,0,2]=4 925 B11R1.44 COC(=O)C1=CC(=CN1)C=O M184375 [0,0,1,1,0,0|2,0,0]=4 926 B11R2.190 C=CC1=CC2=C(CC2)C=C1 V196176 [1,0,0,1,0,0|2,0,0]=4 927 B11R2.36 C1=CC(=CC2=C1C=CN2)O H102255 [1,0,0,1,0,0|2,0,0]=4 928 B11R2.36 C1=CC(=CC2=C1C=CO2)Br B173227 [1,0,0,1,0,0|2,0,0]=4 929 B11R2.36 C1=CC(=CC2=C1C=CO2)N B586369 [1,0,0,1,0,0|2,0,0]=4 930 B11R2.36 C1=CC2=C(C=C1O)NN=C2 H157135 [1,0,0,1,0,0|2,0,0]=4 931 B11R2.36 C1OC2=C(O1)C=C(C=C2)O S106853 [1,0,0,1,0,0|2,0,0]=4 932 B11R2.36 CC1=CC2=C(C=C1)C=CN2 M107953 [1,0,0,1,0,0|2,0,0]=4 933 B13R2.57 COC1=CC2=C(C=C1)C=CN=C2 M184299 [0,1,0,1,0,0|2,0,0]=4 934 B13R2.57 COC1=CC2=C(C=C1)C=NC=C2 M185006 [0,1,0,1,0,0|2,0,0]=4 935 B13R2.57 COC1=CC2=C(C=C1)N=CC=C2 M105654 [0,1,0,1,0,0|2,0,0]=4 936 B13R2.57 COC1=CC2=CC=CC=C2C=C1 M115324 [0,1,0,1,0,0|2,0,0]=4 937 B13R2.2130 C1C2=C(C=CC(=C2)C#N)C(=O)O1 C108039 [0,1,0,1,0,0|2,0,0]=4 938 B13R2.2130 CC1=C2C=CC(=CC2=NN1)OC M186574 [0,1,0,1,0,0|2,0,0]=4 939 B13R2.2130 COC1=CC2=C(C=C1)C(=O)CC2 M119751 [0,1,0,1,0,0|1,0,0]=3 940 B13R2.2130 COC1=CC2=C(C=C1)C(=O)CO2 M587449 [0,1,0,1,0,0|0,0,0]=2 941 B13R2.2121 CC1=CC2=C(N1)C=CC(=C2)OC M113476 [0,1,0,1,0,0|2,0,0]=4 942 B13R2.2121 CC1=NC2=C(S1)C=C(C=C2)OC M113477 [0,1,0,1,0,0|1,1,0]=4 943 B13R2.2121 COC1=CC2=C(C=C1)N=C(S2)Br B183486 [0,1,0,1,0,0|1,1,0]=4 944 B13R2.2121 COC1=CC2=C(C=C1)N=C(S2)Cl C140134 [0,1,0,1,0,0|1,1,0]=4 945 B13R2.2121 COC1=CC2=C(C=C1)N=C(S2)N A151205 [0,1,0,1,0,0|1,1,0]=4 946 B13R2.2121 COC1=CC2=C(C=C1)NC(=O)C2 M186526 [0,1,0,1,0,0|1,0,0]=3 947 B13R2.2121 COC1=CC2=C(C=C1)NC(=O)O2 M170837 [0,1,0,1,0,0|0,0,0]=2 948 B13R2.2121 COC1=CC2=C(C=C1)NC(=O)S2 M184401 [0,1,0,1,0,0|0,1,0]=3 949 B13R2.2121 COC1=CC2=C(C=C1)NC(=S)N2 M108043 [0,1,0,1,0,0|1,1,0]=4 950 B13R2.2121 COC1=CC2=C(C=C1)SC(=N2)N M176741 [0,1,0,1,0,0|2,0,0]=4 951 B13R2.2121 COC1=CC2=C(C=C1)SC(=S)N2 M158488 [0,1,0,1,0,0|1,1,0]=4 952 B13R2.599 C1OC2=C(O1)C=C(C(=C2)C=O)Br B151898 [0,1,0,1,0,0|1,0,0]=3 953 B13R2.599 C1OC2=C(O1)C=C(C(=C2)C=O)Cl C353120 [0,1,0,1,0,0|1,0,0]=3 954 B13R2.599 COC1=C(C=C2C=CNC2=C1)Br B587697 [0,1,0,1,0,0|2,0,0]=4 955 B13R2.599 COC1=C(C=C2C=CNC2=C1)Cl C590666 [0,1,0,1,0,0|2,0,0]=4 956 B13R2.599 COC1=C(C=C2C=NNC2=C1)Br B167488 [0,1,0,1,0,0|2,0,0]=4 957 B9R1.21 COC1=CC=C(S1)C=O M588828 [1,0,0,0,1,0|1,0,0]=3 958 B9R1.21 CSC1=CC=C(S1)C=O M135389 [1,0,0,0,1,0|1,1,0]=4 959 B9R1.22 CC1=CC(=C(N1)C)C=O D478848 [1,0,0,0,1,0|2,0,0]=4 960 B9R1.22 CC1=CC(=C(N1)C=O)C D155375 [1,0,0,0,1,0|2,0,0]=4 961 B11R1.9 C1=C(C=C(C=C1C=O)O)C=O B299911 [0,0,0,0,1,1|2,0,0]=4 962 B11R1.9 COC1=CC(=CC(=C1)C=O)Br B183268 [0,0,0,0,1,1|1,0,0]=3 963 B11R1.9 COC1=CC(=CC(=C1)C=O)Cl C191375 [0,0,0,0,1,1|1,0,0]=3 964 B11R1.9 COC1=CC(=CC(=C1)C=O)F F124174 [0,0,0,0,1,1|1,0,0]=3 965 B11R1.9 COC1=CC(=CC(=C1)O)OC D136632 [0,0,0,0,1,1|2,0,0]=4 966 B11R1.267 C1=CC(=C(C(=C1)C=O)O)C=O H136553 [0,0,0,0,1,1|2,0,0]=4 967 B11R1.267 COC1=C(C(=CC=C1)OC)O D128348 [0,0,0,0,1,1|2,0,0]=4 968 B11R1.267 COC1=CC=CC(=C1Cl)C=O C124147 [0,0,0,0,1,1|1,0,0]=3 969 B11R1.267 COC1=CC=CC(=C1F)C=O F178941 [0,0,0,0,1,1|1,0,0]=3 970 B11R1.267 COC1=CC=CC(=C1O)C=O V109636 [0,0,0,0,1,1|0,0,0]=2 971 B11R1.267 COC1=CC=CC(=C1O)CO H157332 [0,0,0,0,1,1|0,0,2]=4