0 B10R1.3 C#CC1=CC=C(C=C1)C#C D101575 [0,0,0,0,0,0|2,0,2]=4 1 B10R1.3 C#CC1=CC=C(C=C1)C#N E138638 [0,0,0,0,0,0|2,0,2]=4 2 B10R1.3 C#CC1=CC=C(C=C1)C=O E139128 [0,0,0,0,0,0|1,0,1]=2 3 B10R1.3 C#CC1=CC=C(C=C1)CCl C586270 [0,0,0,0,0,0|2,0,2]=4 4 B10R1.3 C#CC1=CC=C(C=C1)CO E302152 [0,0,0,0,0,0|1,0,3]=4 5 B10R1.3 C1=CC(=CC=C1C#N)C#N D111053 [0,0,0,0,0,0|3,0,1]=4 6 B10R1.3 C1=CC(=CC=C1C#N)NN C102562 [0,0,0,0,0,0|3,0,1]=4 7 B10R1.3 C1=CC(=CC=C1C=O)C#N F100751 [0,0,0,0,0,0|2,0,0]=2 8 B10R1.3 C1=CC(=CC=C1C=O)C=O P105980 [0,0,0,0,0,0|2,0,0]=2 9 B10R1.3 C1=CC(=CC=C1CBr)C#N C153839 [0,0,0,0,0,0|3,0,1]=4 10 B10R1.3 C1=CC(=CC=C1CBr)C=O B184885 [0,0,0,0,0,0|2,0,0]=2 11 B10R1.3 C1=CC(=CC=C1CBr)CBr D100654 [0,0,0,0,0,0|3,0,1]=4 12 B10R1.3 C1=CC(=CC=C1CCl)C#N C101656 [0,0,0,0,0,0|3,0,1]=4 13 B10R1.3 C1=CC(=CC=C1CCl)C=O C194802 [0,0,0,0,0,0|2,0,0]=2 14 B10R1.3 C1=CC(=CC=C1CCl)CCl D104515 [0,0,0,0,0,0|3,0,1]=4 15 B10R1.3 C1=CC(=CC=C1CN)C#N A132657 [0,0,0,0,0,0|3,0,1]=4 16 B10R1.3 C1=CC(=CC=C1CN)CN P292859 [0,0,0,0,0,0|3,0,1]=4 17 B10R1.3 C1=CC(=CC=C1CN)CN X113802 [0,0,0,0,0,0|3,0,1]=4 18 B10R1.3 C1=CC(=CC=C1CN)CO A184295 [0,0,0,0,0,0|2,0,2]=4 19 B10R1.3 C1=CC(=CC=C1CO)C#N H124046 [0,0,0,0,0,0|2,0,2]=4 20 B10R1.3 C1=CC(=CC=C1CO)C=O H193722 [0,0,0,0,0,0|2,0,0]=2 21 B10R1.3 C1=CC(=CC=C1CO)CCl W131919 [0,0,0,0,0,0|2,0,2]=4 22 B10R1.3 C1=CC(=CC=C1CO)CO B107001 [0,0,0,0,0,0|2,0,2]=4 23 B10R1.3 C1=CC(=CC=C1CS)CS B101791 [0,0,0,0,0,0|2,1,1]=4 24 B10R1.3 C1=CC(=CC=C1NO)N=O B101359 [0,0,0,0,0,0|3,0,0]=3 25 B10R1.3 C1=CC(=NC=C1C=O)C#N F181154 [0,0,0,0,0,0|3,0,0]=3 26 B10R1.3 C=CC1=CC=C(C=C1)C#N C478980 [0,0,0,0,0,0|3,0,0]=3 27 B10R1.3 C=CC1=CC=C(C=C1)C=C P466823 [0,0,0,0,0,0|2,0,1]=3 28 B10R1.3 C=CC1=CC=C(C=C1)C=O V587715 [0,0,0,0,0,0|1,0,1]=2 29 B10R1.3 C=CC1=CC=C(C=C1)CCl V141224 [0,0,0,0,0,0|3,0,0]=3 30 B10R1.3 C=CC1=CC=C(C=C1)CCl V592268 [0,0,0,0,0,0|3,0,0]=3 31 B10R1.3 C=CC1=CC=C(C=C1)CN V123986 [0,0,0,0,0,0|3,0,0]=3 32 B10R1.3 CCC1=CC=C(C=C1)C#C E115541 [0,0,0,0,0,0|2,0,1]=3 33 B10R1.3 CCC1=CC=C(C=C1)C#N E169049 [0,0,0,0,0,0|2,0,1]=3 34 B10R1.3 CCC1=CC=C(C=C1)C=O E102795 [0,0,0,0,0,0|1,0,0]=1 35 B10R1.3 CCC1=CC=C(C=C1)CC D107652 [0,0,0,0,0,0|2,0,1]=3 36 B10R1.3 CCC1=CC=C(C=C1)CC D107653 [0,0,0,0,0,0|2,0,1]=3 37 B10R1.3 CCC1=CC=C(C=C1)CCl E299918 [0,0,0,0,0,0|2,0,1]=3 38 B10R1.3 CCC1=CC=C(C=C1)CCl E399766 [0,0,0,0,0,0|2,0,1]=3 39 B10R1.3 CCC1=CC=C(C=C1)CO E156110 [0,0,0,0,0,0|1,0,2]=3 40 B10R1.3 CCC1=CC=C(C=C1)NN E185066 [0,0,0,0,0,0|3,0,0]=3 41 B10R1.3 CCC1=CC=C(C=C1)OC E137475 [0,0,0,0,0,0|1,0,1]=2 42 B10R1.3 CNC1=CC=C(C=C1)C#N M184657 [0,0,0,0,0,0|2,0,1]=3 43 B10R1.3 CNC1=CC=C(C=C1)OC I133933 [0,0,0,0,0,0|2,0,0]=2 44 B10R1.3 COC1=CC=C(C=C1)C#C M111332 [0,0,0,0,0,0|1,0,1]=2 45 B10R1.3 COC1=CC=C(C=C1)C#N M111093 [0,0,0,0,0,0|1,0,1]=2 46 B10R1.3 COC1=CC=C(C=C1)C=C M103131 [0,0,0,0,0,0|1,0,0]=1 47 B10R1.3 COC1=CC=C(C=C1)C=O A108955 [0,0,0,0,0,0|0,0,0]=0 48 B10R1.3 COC1=CC=C(C=C1)C=O A108956 [0,0,0,0,0,0|0,0,0]=0 49 B10R1.3 COC1=CC=C(C=C1)C=O A108957 [0,0,0,0,0,0|0,0,0]=0 50 B10R1.3 COC1=CC=C(C=C1)C=O A108958 [0,0,0,0,0,0|0,0,0]=0 51 B10R1.3 COC1=CC=C(C=C1)C=O P421001 [0,0,0,0,0,0|0,0,0]=0 52 B10R1.3 COC1=CC=C(C=C1)CCl M491599 [0,0,0,0,0,0|1,0,1]=2 53 B10R1.3 COC1=CC=C(C=C1)CN M123767 [0,0,0,0,0,0|1,0,1]=2 54 B10R1.3 COC1=CC=C(C=C1)CO M107568 [0,0,0,0,0,0|0,0,2]=2 55 B10R1.3 COC1=CC=C(C=C1)CS M101790 [0,0,0,0,0,0|0,1,1]=2 56 B10R1.3 COC1=CC=C(C=C1)CS M414622 [0,0,0,0,0,0|0,1,1]=2 57 B10R1.3 COC1=CC=C(C=C1)OC D104711 [0,0,0,0,0,0|2,0,0]=2 58 B10R1.3 COC1=CC=C(C=C1)OC D137778 [0,0,0,0,0,0|2,0,0]=2 59 B10R1.3 COC1=CC=C(C=C1)SC M101846 [0,0,0,0,0,0|2,0,0]=2 60 B10R1.3 COC1=CC=C(C=C1)[N+]#N M123217 [0,0,0,0,0,0|2,0,0]=2 61 B10R1.3 COC1=CC=C(C=C1)[N+]#[C-] M165558 [0,0,0,0,0,0|2,0,0]=2 62 B10R1.3 COC1=CN=C(C=C1)C#N M178084 [0,0,0,0,0,0|2,0,1]=3 63 B10R1.3 COC1=CN=C(C=C1)C=O M182921 [0,0,0,0,0,0|1,0,0]=1 64 B10R1.3 COC1=CN=C(C=C1)CO M190450 [0,0,0,0,0,0|1,0,2]=3 65 B10R1.3 COC1=NC=C(C=C1)C#N M167622 [0,0,0,0,0,0|2,0,1]=3 66 B10R1.3 COC1=NC=C(C=C1)C=O M115769 [0,0,0,0,0,0|1,0,0]=1 67 B10R1.3 COC1=NC=C(C=C1)CN M177670 [0,0,0,0,0,0|2,0,1]=3 68 B10R1.3 COC1=NC=C(C=C1)CO M176865 [0,0,0,0,0,0|1,0,2]=3 69 B10R1.3 COC1=NC=C(C=N1)C=O F337248 [0,0,0,0,0,0|2,0,0]=2 70 B10R1.3 COC1=NN=C(C=C1)OC D303761 [0,0,0,0,0,0|4,0,0]=4 71 B10R1.3 CSC1=CC=C(C=C1)C#N M101849 [0,0,0,0,0,0|1,1,1]=3 72 B10R1.3 CSC1=CC=C(C=C1)C=O P133663 [0,0,0,0,0,0|0,1,0]=1 73 B10R1.3 CSC1=CC=C(C=C1)CCl M101851 [0,0,0,0,0,0|1,1,1]=3 74 B10R1.3 CSC1=CC=C(C=C1)CO M101850 [0,0,0,0,0,0|0,1,2]=3 75 B10R1.3 CSC1=NC=C(C=N1)C=O M178139 [0,0,0,0,0,0|2,1,0]=3 76 B9R1.1 C#CC1=CC=C(C=C1)Br B100857 [1,0,0,0,0,0|2,0,1]=4 77 B9R1.1 C#CC1=CC=C(C=C1)Cl C115544 [1,0,0,0,0,0|2,0,1]=4 78 B9R1.1 C#CC1=CC=C(C=C1)F E115545 [1,0,0,0,0,0|2,0,1]=4 79 B9R1.1 C#CC1=CC=C(C=C1)N E156336 [1,0,0,0,0,0|2,0,1]=4 80 B9R1.1 C1=C(C=NC(=N1)N)C=O A123166 [1,0,0,0,0,0|3,0,0]=4 81 B9R1.1 C1=CC(=CC=C1C#N)Br B152383 [1,0,0,0,0,0|2,0,1]=4 82 B9R1.1 C1=CC(=CC=C1C#N)Cl C105375 [1,0,0,0,0,0|2,0,1]=4 83 B9R1.1 C1=CC(=CC=C1C#N)F F120871 [1,0,0,0,0,0|2,0,1]=4 84 B9R1.1 C1=CC(=CC=C1C#N)I I103578 [1,0,0,0,0,0|2,0,1]=4 85 B9R1.1 C1=CC(=CC=C1C#N)N A107274 [1,0,0,0,0,0|2,0,1]=4 86 B9R1.1 C1=CC(=CC=C1C#N)O H115122 [1,0,0,0,0,0|1,0,1]=3 87 B9R1.1 C1=CC(=CC=C1C#N)O H115123 [1,0,0,0,0,0|1,0,1]=3 88 B9R1.1 C1=CC(=CC=C1C#N)S M184058 [1,0,0,0,0,0|1,1,1]=4 89 B9R1.1 C1=CC(=CC=C1C=O)Br B109177 [1,0,0,0,0,0|1,0,0]=2 90 B9R1.1 C1=CC(=CC=C1C=O)Br B419287 [1,0,0,0,0,0|1,0,0]=2 91 B9R1.1 C1=CC(=CC=C1C=O)Cl C104155 [1,0,0,0,0,0|1,0,0]=2 92 B9R1.1 C1=CC(=CC=C1C=O)F F109178 [1,0,0,0,0,0|1,0,0]=2 93 B9R1.1 C1=CC(=CC=C1C=O)I I138274 [1,0,0,0,0,0|1,0,0]=2 94 B9R1.1 C1=CC(=CC=C1C=O)N A303975 [1,0,0,0,0,0|1,0,0]=2 95 B9R1.1 C1=CC(=CC=C1C=O)N A405596 [1,0,0,0,0,0|1,0,0]=2 96 B9R1.1 C1=CC(=CC=C1C=O)O H100420 [1,0,0,0,0,0|0,0,0]=1 97 B9R1.1 C1=CC(=CC=C1C=O)O H100421 [1,0,0,0,0,0|0,0,0]=1 98 B9R1.1 C1=CC(=CC=C1C=O)O H431620 [1,0,0,0,0,0|0,0,0]=1 99 B9R1.1 C1=CC(=CC=C1CBr)Br B171105 [1,0,0,0,0,0|2,0,1]=4 100 B9R1.1 C1=CC(=CC=C1CBr)Cl C135867 [1,0,0,0,0,0|2,0,1]=4 101 B9R1.1 C1=CC(=CC=C1CBr)F F120595 [1,0,0,0,0,0|2,0,1]=4 102 B9R1.1 C1=CC(=CC=C1CBr)I I122909 [1,0,0,0,0,0|2,0,1]=4 103 B9R1.1 C1=CC(=CC=C1CCl)Br B113785 [1,0,0,0,0,0|2,0,1]=4 104 B9R1.1 C1=CC(=CC=C1CCl)Cl C106513 [1,0,0,0,0,0|2,0,1]=4 105 B9R1.1 C1=CC(=CC=C1CCl)F F100905 [1,0,0,0,0,0|2,0,1]=4 106 B9R1.1 C1=CC(=CC=C1CN)Br B133133 [1,0,0,0,0,0|2,0,1]=4 107 B9R1.1 C1=CC(=CC=C1CN)Br B136595 [1,0,0,0,0,0|2,0,1]=4 108 B9R1.1 C1=CC(=CC=C1CN)Cl C117222 [1,0,0,0,0,0|2,0,1]=4 109 B9R1.1 C1=CC(=CC=C1CN)Cl C493514 [1,0,0,0,0,0|2,0,1]=4 110 B9R1.1 C1=CC(=CC=C1CN)F F111212 [1,0,0,0,0,0|2,0,1]=4 111 B9R1.1 C1=CC(=CC=C1CN)F F292633 [1,0,0,0,0,0|2,0,1]=4 112 B9R1.1 C1=CC(=CC=C1CN)F F292646 [1,0,0,0,0,0|2,0,1]=4 113 B9R1.1 C1=CC(=CC=C1CN)F F404486 [1,0,0,0,0,0|2,0,1]=4 114 B9R1.1 C1=CC(=CC=C1CN)I I171122 [1,0,0,0,0,0|2,0,1]=4 115 B9R1.1 C1=CC(=CC=C1CN)N A151636 [1,0,0,0,0,0|2,0,1]=4 116 B9R1.1 C1=CC(=CC=C1CN)N A193875 [1,0,0,0,0,0|2,0,1]=4 117 B9R1.1 C1=CC(=CC=C1CN)O A139192 [1,0,0,0,0,0|1,0,1]=3 118 B9R1.1 C1=CC(=CC=C1CN)O A187992 [1,0,0,0,0,0|1,0,1]=3 119 B9R1.1 C1=CC(=CC=C1CO)Br B139372 [1,0,0,0,0,0|1,0,2]=4 120 B9R1.1 C1=CC(=CC=C1CO)Cl C109479 [1,0,0,0,0,0|1,0,2]=4 121 B9R1.1 C1=CC(=CC=C1CO)F F156598 [1,0,0,0,0,0|1,0,2]=4 122 B9R1.1 C1=CC(=CC=C1CO)I I138398 [1,0,0,0,0,0|1,0,2]=4 123 B9R1.1 C1=CC(=CC=C1CO)N A107272 [1,0,0,0,0,0|1,0,2]=4 124 B9R1.1 C1=CC(=CC=C1CO)O H107912 [1,0,0,0,0,0|0,0,2]=3 125 B9R1.1 C1=CC(=CC=C1CS)Br B101799 [1,0,0,0,0,0|1,1,1]=4 126 B9R1.1 C1=CC(=CC=C1CS)Cl C101789 [1,0,0,0,0,0|1,1,1]=4 127 B9R1.1 C1=CC(=CC=C1CS)F F101796 [1,0,0,0,0,0|1,1,1]=4 128 B9R1.1 C1=CC(=CC=C1N=O)O N159523 [1,0,0,0,0,0|1,0,0]=2 129 B9R1.1 C1=CC(=CC=C1NN)Br B109685 [1,0,0,0,0,0|3,0,0]=4 130 B9R1.1 C1=CC(=CC=C1NN)Br B141295 [1,0,0,0,0,0|3,0,0]=4 131 B9R1.1 C1=CC(=CC=C1NN)Br B185411 [1,0,0,0,0,0|3,0,0]=4 132 B9R1.1 C1=CC(=CC=C1NN)Br B193346 [1,0,0,0,0,0|3,0,0]=4 133 B9R1.1 C1=CC(=CC=C1NN)Cl C110269 [1,0,0,0,0,0|3,0,0]=4 134 B9R1.1 C1=CC(=CC=C1NN)Cl C153656 [1,0,0,0,0,0|3,0,0]=4 135 B9R1.1 C1=CC(=CC=C1NN)F F110267 [1,0,0,0,0,0|3,0,0]=4 136 B9R1.1 C1=CC(=CC=C1NN)I I166921 [1,0,0,0,0,0|3,0,0]=4 137 B9R1.1 C1=CC(=CC=C1NN)I I194278 [1,0,0,0,0,0|3,0,0]=4 138 B9R1.1 C1=CC(=CC=C1[N+]#N)Br B152895 [1,0,0,0,0,0|3,0,0]=4 139 B9R1.1 C1=CC(=NC=C1Br)C=O B119147 [1,0,0,0,0,0|2,0,0]=3 140 B9R1.1 C1=CC(=NC=C1C=O)Br B115763 [1,0,0,0,0,0|2,0,0]=3 141 B9R1.1 C1=CC(=NC=C1C=O)Cl C122666 [1,0,0,0,0,0|2,0,0]=3 142 B9R1.1 C1=CC(=NC=C1C=O)F F185975 [1,0,0,0,0,0|2,0,0]=3 143 B9R1.1 C1=CC(=NC=C1C=O)N A177224 [1,0,0,0,0,0|2,0,0]=3 144 B9R1.1 C1=CC(=NC=C1Cl)C=O C154077 [1,0,0,0,0,0|2,0,0]=3 145 B9R1.1 C1=CC(=NC=C1O)C#N H177767 [1,0,0,0,0,0|2,0,1]=4 146 B9R1.1 C1=CC(=NC=C1O)C=O H192663 [1,0,0,0,0,0|1,0,0]=2 147 B9R1.1 C1=CC(=O)NC=C1C=O H179130 [1,0,0,0,0,0|1,0,1]=3 148 B9R1.1 C=CC1=CC=C(C=C1)Br B102167 [1,0,0,0,0,0|2,0,0]=3 149 B9R1.1 C=CC1=CC=C(C=C1)Cl C121719 [1,0,0,0,0,0|2,0,0]=3 150 B9R1.1 C=CC1=CC=C(C=C1)F F107117 [1,0,0,0,0,0|2,0,0]=3 151 B9R1.1 C=CC1=CC=C(C=C1)F F407667 [1,0,0,0,0,0|2,0,0]=3 152 B9R1.1 C=CC1=CC=C(C=C1)N A151485 [1,0,0,0,0,0|2,0,0]=3 153 B9R1.1 C=CC1=CC=C(C=C1)O H189096 [1,0,0,0,0,0|1,0,0]=2 154 B9R1.1 CC1=CC=C(C=C1)C#C E106375 [1,0,0,0,0,0|1,0,1]=3 155 B9R1.1 CC1=CC=C(C=C1)C#N P160229 [1,0,0,0,0,0|1,0,1]=3 156 B9R1.1 CC1=CC=C(C=C1)C=C M158348 [1,0,0,0,0,0|1,0,0]=2 157 B9R1.1 CC1=CC=C(C=C1)C=O M105910 [1,0,0,0,0,0|0,0,0]=1 158 B9R1.1 CC1=CC=C(C=C1)CBr M109534 [1,0,0,0,0,0|1,0,1]=3 159 B9R1.1 CC1=CC=C(C=C1)CCl A101683 [1,0,0,0,0,0|1,0,1]=3 160 B9R1.1 CC1=CC=C(C=C1)CCl A164460 [1,0,0,0,0,0|1,0,1]=3 161 B9R1.1 CC1=CC=C(C=C1)CN M158669 [1,0,0,0,0,0|1,0,1]=3 162 B9R1.1 CC1=CC=C(C=C1)CO M113648 [1,0,0,0,0,0|0,0,2]=3 163 B9R1.1 CC1=CC=C(C=C1)CS M113646 [1,0,0,0,0,0|0,1,1]=3 164 B9R1.1 CC1=CC=C(C=C1)NC N159024 [1,0,0,0,0,0|1,0,1]=3 165 B9R1.1 CC1=CC=C(C=C1)NN T109603 [1,0,0,0,0,0|2,0,0]=3 166 B9R1.1 CC1=CC=C(C=C1)OC M106728 [1,0,0,0,0,0|0,0,1]=2 167 B9R1.1 CC1=CC=C(C=C1)SC M101848 [1,0,0,0,0,0|0,1,1]=3 168 B9R1.1 CC1=CN=C(C=C1)C#N C132411 [1,0,0,0,0,0|2,0,1]=4 169 B9R1.1 CC1=CN=C(C=C1)C=O M170606 [1,0,0,0,0,0|1,0,0]=2 170 B9R1.1 CC1=CN=C(C=C1)CN M589171 [1,0,0,0,0,0|2,0,1]=4 171 B9R1.1 CC1=CN=C(C=C1)OC M181247 [1,0,0,0,0,0|1,0,1]=3 172 B9R1.1 CC1=CN=C(C=N1)C=O M176646 [1,0,0,0,0,0|2,0,0]=3 173 B9R1.1 CC1=NC=C(C=C1)C#N C140251 [1,0,0,0,0,0|2,0,1]=4 174 B9R1.1 CC1=NC=C(C=C1)C=O W134999 [1,0,0,0,0,0|1,0,0]=2 175 B9R1.1 CC1=NC=C(C=C1)CO W136158 [1,0,0,0,0,0|1,0,2]=4 176 B9R1.1 CC1=NN=C(C=C1)OC M587689 [1,0,0,0,0,0|2,0,1]=4 177 B9R1.1 CCC1=CC=C(C=C1)Br B101890 [1,0,0,0,0,0|2,0,0]=3 178 B9R1.1 CCC1=CC=C(C=C1)Br B141181 [1,0,0,0,0,0|2,0,0]=3 179 B9R1.1 CCC1=CC=C(C=C1)C E123489 [1,0,0,0,0,0|1,0,1]=3 180 B9R1.1 CCC1=CC=C(C=C1)Cl C171229 [1,0,0,0,0,0|2,0,0]=3 181 B9R1.1 CCC1=CC=C(C=C1)I E189089 [1,0,0,0,0,0|2,0,0]=3 182 B9R1.1 CCC1=CC=C(C=C1)N E102230 [1,0,0,0,0,0|2,0,0]=3 183 B9R1.1 CCC1=CC=C(C=C1)O E115497 [1,0,0,0,0,0|1,0,1]=3 184 B9R1.1 CCC1=CC=C(C=C1)S E156190 [1,0,0,0,0,0|1,1,0]=3 185 B9R1.1 CCC1=CN=C(C=C1)C E101695 [1,0,0,0,0,0|2,0,1]=4 186 B9R1.1 CCC1=CN=C(C=C1)N E587963 [1,0,0,0,0,0|3,0,0]=4 187 B9R1.1 CC[N+]1=CC=C(C=C1)C E303436 [1,0,0,0,0,0|2,0,1]=4 188 B9R1.1 CNC1=CC=C(C=C1)Br B304406 [1,0,0,0,0,0|2,0,0]=3 189 B9R1.1 CNC1=CC=C(C=C1)Cl C139458 [1,0,0,0,0,0|2,0,0]=3 190 B9R1.1 CNC1=CC=C(C=C1)F F170454 [1,0,0,0,0,0|2,0,0]=3 191 B9R1.1 CNC1=CC=C(C=C1)N N589686 [1,0,0,0,0,0|2,0,0]=3 192 B9R1.1 CNC1=CN=C(C=C1)Br B586167 [1,0,0,0,0,0|3,0,0]=4 193 B9R1.1 COC1=CC=C(C=C1)Br B108656 [1,0,0,0,0,0|1,0,0]=2 194 B9R1.1 COC1=CC=C(C=C1)Cl C113571 [1,0,0,0,0,0|1,0,0]=2 195 B9R1.1 COC1=CC=C(C=C1)F F123675 [1,0,0,0,0,0|1,0,0]=2 196 B9R1.1 COC1=CC=C(C=C1)I I107035 [1,0,0,0,0,0|1,0,0]=2 197 B9R1.1 COC1=CC=C(C=C1)I L359048 [1,0,0,0,0,0|1,0,0]=2 198 B9R1.1 COC1=CC=C(C=C1)N A106071 [1,0,0,0,0,0|1,0,0]=2 199 B9R1.1 COC1=CC=C(C=C1)N A615348 [1,0,0,0,0,0|1,0,0]=2 200 B9R1.1 COC1=CC=C(C=C1)N P160121 [1,0,0,0,0,0|1,0,0]=2 201 B9R1.1 COC1=CC=C(C=C1)O M104222 [1,0,0,0,0,0|0,0,1]=2 202 B9R1.1 COC1=CC=C(C=C1)S M101780 [1,0,0,0,0,0|0,1,0]=2 203 B9R1.1 COC1=CC=C(O)C=C1 M408201 [1,0,0,0,0,0|0,0,1]=2 204 B9R1.1 COC1=CC=[N+](C=C1)[O-] M119964 [1,0,0,0,0,0|1,0,1]=3 205 B9R1.1 COC1=CC=[N+](C=C1)[O-] M168481 [1,0,0,0,0,0|1,0,1]=3 206 B9R1.1 COC1=CN=C(C=C1)Br B179025 [1,0,0,0,0,0|2,0,0]=3 207 B9R1.1 COC1=CN=C(C=C1)Cl C190823 [1,0,0,0,0,0|2,0,0]=3 208 B9R1.1 COC1=CN=C(C=C1)F F190725 [1,0,0,0,0,0|2,0,0]=3 209 B9R1.1 COC1=CN=C(C=C1)N M171668 [1,0,0,0,0,0|2,0,0]=3 210 B9R1.1 COC1=CN=C(N=C1)Cl C123459 [1,0,0,0,0,0|3,0,0]=4 211 B9R1.1 COC1=CN=C(N=C1)N M173441 [1,0,0,0,0,0|3,0,0]=4 212 B9R1.1 COC1=NC=C(C=C1)Br B115758 [1,0,0,0,0,0|2,0,0]=3 213 B9R1.1 COC1=NC=C(C=C1)Cl C120716 [1,0,0,0,0,0|2,0,0]=3 214 B9R1.1 COC1=NC=C(C=C1)F F120714 [1,0,0,0,0,0|2,0,0]=3 215 B9R1.1 COC1=NC=C(C=C1)I I132230 [1,0,0,0,0,0|2,0,0]=3 216 B9R1.1 COC1=NC=C(C=C1)N A151664 [1,0,0,0,0,0|2,0,0]=3 217 B9R1.1 COC1=NC=C(C=C1)N A400674 [1,0,0,0,0,0|2,0,0]=3 218 B9R1.1 COC1=NC=C(C=C1)O H184927 [1,0,0,0,0,0|1,0,1]=3 219 B9R1.1 COC1=NC=C(C=N1)Br B123560 [1,0,0,0,0,0|3,0,0]=4 220 B9R1.1 COC1=NC=C(C=N1)Cl C193117 [1,0,0,0,0,0|3,0,0]=4 221 B9R1.1 COC1=NN=C(C=C1)Br B182084 [1,0,0,0,0,0|3,0,0]=4 222 B9R1.1 COC1=NN=C(C=C1)Cl C154051 [1,0,0,0,0,0|3,0,0]=4 223 B9R1.1 COC1=NN=C(C=C1)I I191532 [1,0,0,0,0,0|3,0,0]=4 224 B9R1.1 COC1=NN=C(C=C1)N A337871 [1,0,0,0,0,0|3,0,0]=4 225 B9R1.1 CSC1=CC=C(C=C1)Br B101844 [1,0,0,0,0,0|1,1,0]=3 226 B9R1.1 CSC1=CC=C(C=C1)Cl C101840 [1,0,0,0,0,0|1,1,0]=3 227 B9R1.1 CSC1=CC=C(C=C1)F F101837 [1,0,0,0,0,0|1,1,0]=3 228 B9R1.1 CSC1=CC=C(C=C1)N M101835 [1,0,0,0,0,0|1,1,0]=3 229 B9R1.1 CSC1=CC=C(C=C1)O M100813 [1,0,0,0,0,0|0,1,1]=3 230 B9R1.1 CSC1=CC=C(C=C1)S M101782 [1,0,0,0,0,0|0,2,0]=3 231 B9R1.1 CSC1=NC=C(C=C1)Br B122969 [1,0,0,0,0,0|2,1,0]=4 232 B9R1.1 [C-]#[N+]C1=CC=C(C=C1)Br B303469 [1,0,0,0,0,0|2,0,1]=4 233 B9R1.1 [C-]#[N+]C1=CC=C(C=C1)F F300626 [1,0,0,0,0,0|2,0,1]=4 234 B11R1.3 B(C1=CC=C(C=C1)C=C)(O)O V102338 [0,1,0,0,0,0|3,0,0]=4 235 B11R1.3 B(C1=CC=C(C=C1)C=O)(O)O F106771 [0,1,0,0,0,0|2,0,0]=3 236 B11R1.3 B(C1=CC=C(C=C1)CC)(O)O E103180 [0,1,0,0,0,0|2,0,1]=4 237 B11R1.3 B(C1=CC=C(C=C1)OC)(O)O M109431 [0,1,0,0,0,0|1,0,1]=3 238 B11R1.3 B(C1=CC=C(C=C1)SC)(O)O M103215 [0,1,0,0,0,0|1,1,1]=4 239 B11R1.3 B(C1=CN=C(C=C1)OC)(O)O M102581 [0,1,0,0,0,0|2,0,1]=4 240 B11R1.3 C#CC1=CC=C(C=C1)C(=O)O E137978 [0,1,0,0,0,0|1,0,1]=3 241 B11R1.3 C#CC1=CC=C(C=C1)C(=O)[O-] S299909 [0,1,0,0,0,0|1,0,1]=3 242 B11R1.3 C#CC1=CC=C(C=C1)[N+](=O)[O-] E305003 [0,1,0,0,0,0|2,0,1]=4 243 B11R1.3 C1=CC(=CC=C1C#N)C(=O)Cl C153684 [0,1,0,0,0,0|2,0,0]=3 244 B11R1.3 C1=CC(=CC=C1C#N)C(=O)N C153736 [0,1,0,0,0,0|2,0,0]=3 245 B11R1.3 C1=CC(=CC=C1C#N)C(=O)O C108511 [0,1,0,0,0,0|2,0,0]=3 246 B11R1.3 C1=CC(=CC=C1C#N)[N+](=O)[O-] N107605 [0,1,0,0,0,0|3,0,0]=4 247 B11R1.3 C1=CC(=CC=C1C(=O)O)NN H101716 [0,1,0,0,0,0|2,0,0]=3 248 B11R1.3 C1=CC(=CC=C1C(=O)O)NN H106992 [0,1,0,0,0,0|2,0,0]=3 249 B11R1.3 C1=CC(=CC=C1C=O)C(=O)O F109559 [0,1,0,0,0,0|2,0,0]=3 250 B11R1.3 C1=CC(=CC=C1C=O)[N+](=O)[O-] N104181 [0,1,0,0,0,0|2,0,0]=3 251 B11R1.3 C1=CC(=CC=C1CBr)C(=O)O B152291 [0,1,0,0,0,0|2,0,0]=3 252 B11R1.3 C1=CC(=CC=C1CBr)C(=O)O B471433 [0,1,0,0,0,0|2,0,0]=3 253 B11R1.3 C1=CC(=CC=C1CBr)[N+](=O)[O-] N100516 [0,1,0,0,0,0|3,0,0]=4 254 B11R1.3 C1=CC(=CC=C1CCl)C(=O)Cl C103225 [0,1,0,0,0,0|2,0,0]=3 255 B11R1.3 C1=CC(=CC=C1CCl)C(=O)N C186877 [0,1,0,0,0,0|2,0,0]=3 256 B11R1.3 C1=CC(=CC=C1CCl)C(=O)O C137487 [0,1,0,0,0,0|2,0,0]=3 257 B11R1.3 C1=CC(=CC=C1CCl)[N+](=O)[O-] N100514 [0,1,0,0,0,0|3,0,0]=4 258 B11R1.3 C1=CC(=CC=C1CCl)[N+](=O)[O-] N100515 [0,1,0,0,0,0|3,0,0]=4 259 B11R1.3 C1=CC(=CC=C1CN)C(=O)O A111957 [0,1,0,0,0,0|2,0,0]=3 260 B11R1.3 C1=CC(=CC=C1CN)[N+](=O)[O-] N159454 [0,1,0,0,0,0|3,0,0]=4 261 B11R1.3 C1=CC(=CC=C1CO)C(=O)O H117675 [0,1,0,0,0,0|2,0,0]=3 262 B11R1.3 C1=CC(=CC=C1CO)[N+](=O)[O-] N110318 [0,1,0,0,0,0|3,0,0]=4 263 B11R1.3 C1=CC(=CC=C1CS)[N+](=O)[O-] N467223 [0,1,0,0,0,0|3,0,0]=4 264 B11R1.3 C1=CC(=CC=C1NN)[N+](=O)[O-] N110268 [0,1,0,0,0,0|3,0,0]=4 265 B11R1.3 C1=CC(=CC=C1[N+]#N)[N+](=O)[O-] N159632 [0,1,0,0,0,0|3,0,0]=4 266 B11R1.3 C1=CC(=NC=C1C#N)C(=O)O C135964 [0,1,0,0,0,0|3,0,0]=4 267 B11R1.3 C1=CC(=NC=C1C(=O)O)C#N W136839 [0,1,0,0,0,0|3,0,0]=4 268 B11R1.3 C1=CC(=NC=C1C(=O)O)NN H173382 [0,1,0,0,0,0|3,0,0]=4 269 B11R1.3 C=CC1=CC=C(C=C1)C(=O)O V117230 [0,1,0,0,0,0|1,0,1]=3 270 B11R1.3 C=CC1=CC=C(C=C1)[N+](=O)[O-] N404780 [0,1,0,0,0,0|2,0,1]=4 271 B11R1.3 CC(=C)C1=CC=C(C=C1)OC M587638 [0,1,0,0,0,0|1,0,0]=2 272 B11R1.3 CC(=O)C1=CC=C(C=C1)C#N C153682 [0,1,0,0,0,0|2,0,0]=3 273 B11R1.3 CC(=O)C1=CC=C(C=C1)C=O A169740 [0,1,0,0,0,0|1,0,0]=2 274 B11R1.3 CC(=O)C1=CC=C(C=C1)NC A196189 [0,1,0,0,0,0|1,0,0]=2 275 B11R1.3 CC(=O)C1=CC=C(C=C1)OC M103875 [0,1,0,0,0,0|0,0,0]=1 276 B11R1.3 CC(=O)C1=CC=C(C=C1)SC M101852 [0,1,0,0,0,0|0,1,0]=2 277 B11R1.3 CC(=O)C1=CN=C(C=C1)OC A115779 [0,1,0,0,0,0|1,0,0]=2 278 B11R1.3 CC(C)C1=CC=C(C=C1)C#C E588290 [0,1,0,0,0,0|2,0,1]=4 279 B11R1.3 CC(C)C1=CC=C(C=C1)C=O C117706 [0,1,0,0,0,0|1,0,0]=2 280 B11R1.3 CC(C)C1=CC=C(C=C1)CBr I194820 [0,1,0,0,0,0|2,0,1]=4 281 B11R1.3 CC(C)C1=CC=C(C=C1)CCl C191960 [0,1,0,0,0,0|2,0,1]=4 282 B11R1.3 CC(C)C1=CC=C(C=C1)CN I184550 [0,1,0,0,0,0|2,0,1]=4 283 B11R1.3 CC(C)C1=CC=C(C=C1)CO I107533 [0,1,0,0,0,0|1,0,2]=4 284 B11R1.3 CC(C)C1=CC=C(C=C1)NN L102556 [0,1,0,0,0,0|3,0,0]=4 285 B11R1.3 CC(C)C1=CC=C(C=C1)OC I157470 [0,1,0,0,0,0|1,0,1]=3 286 B11R1.3 CC(C1=CC=C(C=C1)OC)N M100571 [0,1,0,0,0,0|1,0,1]=3 287 B11R1.3 CC(C1=CC=C(C=C1)OC)N M106421 [0,1,0,0,0,0|1,0,1]=3 288 B11R1.3 CC(C1=CC=C(C=C1)OC)N M185667 [0,1,0,0,0,0|1,0,1]=3 289 B11R1.3 CC(C1=CC=C(C=C1)OC)O M169629 [0,1,0,0,0,0|0,0,2]=3 290 B11R1.3 CCC1=CC=C(C=C1)C(=O)C E156360 [0,1,0,0,0,0|1,0,0]=2 291 B11R1.3 CCC1=CC=C(C=C1)C(=O)Cl E103224 [0,1,0,0,0,0|1,0,0]=2 292 B11R1.3 CCC1=CC=C(C=C1)C(=O)O E156333 [0,1,0,0,0,0|1,0,0]=2 293 B11R1.3 CCC1=CC=C(C=C1)C(C)C E404444 [0,1,0,0,0,0|2,0,1]=4 294 B11R1.3 CCC1=CC=C(C=C1)[N+](=O)[O-] E137916 [0,1,0,0,0,0|2,0,0]=3 295 B11R1.3 CCC1=NC=C(C=C1)[N+](=O)[O-] E588697 [0,1,0,0,0,0|3,0,0]=4 296 B11R1.3 CCC1=NC=C(C=N1)C(=O)O E479410 [0,1,0,0,0,0|3,0,0]=4 297 B11R1.3 CN(C)C1=CC=C(C=C1)C#C E167950 [0,1,0,0,0,0|2,0,1]=4 298 B11R1.3 CN(C)C1=CC=C(C=C1)C#N D154458 [0,1,0,0,0,0|2,0,1]=4 299 B11R1.3 CN(C)C1=CC=C(C=C1)C=C N588011 [0,1,0,0,0,0|2,0,0]=3 300 B11R1.3 CN(C)C1=CC=C(C=C1)C=O D109640 [0,1,0,0,0,0|1,0,0]=2 301 B11R1.3 CN(C)C1=CC=C(C=C1)C=O D109644 [0,1,0,0,0,0|1,0,0]=2 302 B11R1.3 CN(C)C1=CC=C(C=C1)C=O D278973 [0,1,0,0,0,0|1,0,0]=2 303 B11R1.3 CN(C)C1=CC=C(C=C1)CN D136160 [0,1,0,0,0,0|2,0,1]=4 304 B11R1.3 CN(C)C1=CC=C(C=C1)CN D182429 [0,1,0,0,0,0|2,0,1]=4 305 B11R1.3 CN(C)C1=CC=C(C=C1)CO D155714 [0,1,0,0,0,0|1,0,2]=4 306 B11R1.3 CN(C)C1=CC=C(C=C1)CO D489122 [0,1,0,0,0,0|1,0,2]=4 307 B11R1.3 CN(C)C1=CC=C(C=C1)N=O N159022 [0,1,0,0,0,0|2,0,0]=3 308 B11R1.3 CN(C)C1=CC=C(C=C1)OC M194673 [0,1,0,0,0,0|2,0,0]=3 309 B11R1.3 CN(C)C1=CC=C(C=C1)[N+]#N D154347 [0,1,0,0,0,0|3,0,0]=4 310 B11R1.3 CN(C)C1=NC=C(C=N1)C=O D170966 [0,1,0,0,0,0|3,0,0]=4 311 B11R1.3 CNC1=CC=C(C=C1)C(=O)O M158381 [0,1,0,0,0,0|1,0,0]=2 312 B11R1.3 CNC1=CC=C(C=C1)[N+](=O)[O-] M140177 [0,1,0,0,0,0|2,0,0]=3 313 B11R1.3 COC1=CC=C(C=C1)C(=N)N M158469 [0,1,0,0,0,0|1,0,0]=2 314 B11R1.3 COC1=CC=C(C=C1)C(=O)Cl M100611 [0,1,0,0,0,0|0,0,0]=1 315 B11R1.3 COC1=CC=C(C=C1)C(=O)N M158329 [0,1,0,0,0,0|0,0,0]=1 316 B11R1.3 COC1=CC=C(C=C1)C(=O)O M104368 [0,1,0,0,0,0|0,0,0]=1 317 B11R1.3 COC1=CC=C(C=C1)C(=O)O M119543 [0,1,0,0,0,0|0,0,0]=1 318 B11R1.3 COC1=CC=C(C=C1)C(=S)N M101893 [0,1,0,0,0,0|0,1,0]=2 319 B11R1.3 COC1=CC=C(C=C1)[N+](=O)[O-] N105584 [0,1,0,0,0,0|1,0,0]=2 320 B11R1.3 COC1=CN=C(C=C1)C(=N)N M586506 [0,1,0,0,0,0|2,0,0]=3 321 B11R1.3 COC1=NC=C(C=C1)C(=O)N J413630 [0,1,0,0,0,0|1,0,0]=2 322 B11R1.3 COC1=NC=C(C=C1)C(=O)O M185906 [0,1,0,0,0,0|1,0,0]=2 323 B11R1.3 COC1=NC=C(C=C1)[N+](=O)[O-] M158827 [0,1,0,0,0,0|2,0,0]=3 324 B11R1.3 COC1=NC=C(C=N1)[N+](=O)[O-] M190834 [0,1,0,0,0,0|3,0,0]=4 325 B11R1.3 COC1=NC=C(N=C1)C(=O)O M339526 [0,1,0,0,0,0|2,0,0]=3 326 B11R1.3 COC1=NN=C(C=C1)C(=O)O M176803 [0,1,0,0,0,0|2,0,0]=3 327 B11R1.3 CSC1=CC=C(C=C1)C(=O)O M158295 [0,1,0,0,0,0|0,1,0]=2 328 B11R1.3 CSC1=CC=C(C=C1)[N+](=O)[O-] N101833 [0,1,0,0,0,0|1,1,0]=3 329 B11R1.3 [C-]#[N+]C1=CC=C(C=C1)[N+](=O)[O-] N159791 [0,1,0,0,0,0|2,0,1]=4 330 B11R1.83 C1=CC(=CC=C1C#N)N=C=O C134152 [0,1,0,0,0,0|2,0,1]=4 331 B11R1.83 C1=CC(=CC=C1CCBr)C#N B194753 [0,1,0,0,0,0|2,0,1]=4 332 B11R1.83 C1=CC(=CC=C1CCN)C#N A167799 [0,1,0,0,0,0|2,0,1]=4 333 B11R1.83 C1=CC(=CC=C1CCO)C#N H134819 [0,1,0,0,0,0|2,0,1]=4 334 B11R1.83 C=CC1=CC=C(C=C1)N=C=S P352677 [0,1,0,0,0,0|2,0,1]=4 335 B11R1.83 CC=CC1=CC=C(C=C1)OC A111314 [0,1,0,0,0,0|1,0,0]=2 336 B11R1.83 CC=CC1=CC=C(C=C1)OC A119294 [0,1,0,0,0,0|1,0,0]=2 337 B11R1.83 CC=CC1=CC=C(C=C1)OC P136392 [0,1,0,0,0,0|1,0,0]=2 338 B11R1.83 CC=CC1=CC=C(C=C1)OC T423891 [0,1,0,0,0,0|1,0,0]=2 339 B11R1.83 CCC1=CC=C(C=C1)N=C=O E156038 [0,1,0,0,0,0|1,0,1]=3 340 B11R1.83 CCC1=CC=C(C=C1)N=C=S E140567 [0,1,0,0,0,0|1,1,1]=4 341 B11R1.83 CCC1=CC=C(C=C1)OCC E156094 [0,1,0,0,0,0|1,0,1]=3 342 B11R1.83 CCCC1=CC=C(C=C1)C#C N115542 [0,1,0,0,0,0|2,0,1]=4 343 B11R1.83 CCCC1=CC=C(C=C1)C=O P135756 [0,1,0,0,0,0|1,0,0]=2 344 B11R1.83 CCCC1=CC=C(C=C1)OC M586236 [0,1,0,0,0,0|1,0,1]=3 345 B11R1.83 CCOC1=CC=C(C=C1)C#C E156344 [0,1,0,0,0,0|1,0,1]=3 346 B11R1.83 CCOC1=CC=C(C=C1)C#N E156327 [0,1,0,0,0,0|1,0,1]=3 347 B11R1.83 CCOC1=CC=C(C=C1)C=C E477029 [0,1,0,0,0,0|1,0,0]=2 348 B11R1.83 CCOC1=CC=C(C=C1)C=O E137923 [0,1,0,0,0,0|0,0,0]=1 349 B11R1.83 CCOC1=CC=C(C=C1)CCl C194480 [0,1,0,0,0,0|1,0,1]=3 350 B11R1.83 CCOC1=CC=C(C=C1)CO E156108 [0,1,0,0,0,0|0,0,2]=3 351 B11R1.83 CNCC1=CC=C(C=C1)C#N M183867 [0,1,0,0,0,0|2,0,1]=4 352 B11R1.83 CNCC1=CC=C(C=C1)OC M121878 [0,1,0,0,0,0|1,0,1]=3 353 B11R1.83 CNCC1=CC=C(C=C1)OC M187530 [0,1,0,0,0,0|1,0,1]=3 354 B11R1.83 COC1=CC=C(C=C1)CC#N M124732 [0,1,0,0,0,0|1,0,1]=3 355 B11R1.83 COC1=CC=C(C=C1)CC=C A151340 [0,1,0,0,0,0|1,0,0]=2 356 B11R1.83 COC1=CC=C(C=C1)CC=C A421524 [0,1,0,0,0,0|1,0,0]=2 357 B11R1.83 COC1=CC=C(C=C1)CC=O M193998 [0,1,0,0,0,0|0,0,0]=1 358 B11R1.83 COC1=CC=C(C=C1)CCBr M353698 [0,1,0,0,0,0|1,0,1]=3 359 B11R1.83 COC1=CC=C(C=C1)CCN M106422 [0,1,0,0,0,0|1,0,1]=3 360 B11R1.83 COC1=CC=C(C=C1)CCO M124605 [0,1,0,0,0,0|0,0,2]=3 361 B11R1.83 COC1=CC=C(C=C1)CCO M493169 [0,1,0,0,0,0|0,0,2]=3 362 B11R1.83 COC1=CC=C(C=C1)CNN M175563 [0,1,0,0,0,0|1,0,1]=3 363 B11R1.83 COC1=CC=C(C=C1)CON A479616 [0,1,0,0,0,0|0,0,2]=3 364 B11R1.83 COC1=CC=C(C=C1)N=C=O M157830 [0,1,0,0,0,0|0,0,1]=2 365 B11R1.83 COC1=CC=C(C=C1)N=C=S M140587 [0,1,0,0,0,0|0,1,1]=3 366 B11R1.83 COC1=CC=C(C=C1)N=C=S M473065 [0,1,0,0,0,0|0,1,1]=3 367 B11R1.83 COC1=CC=C(C=C1)NC=O M158339 [0,1,0,0,0,0|0,0,0]=1 368 B11R1.83 COC1=CC=C(C=C1)OC#N M300697 [0,1,0,0,0,0|1,0,1]=3 369 B11R1.83 COCC1=CC=C(C=C1)OC M158116 [0,1,0,0,0,0|0,0,2]=3 370 B11R1.83 CSC1=CC=C(C=C1)N=C=O M167730 [0,1,0,0,0,0|0,1,1]=3 371 B11R1.83 CSC1=CC=C(C=C1)N=C=S B299963 [0,1,0,0,0,0|0,2,1]=4 372 B11R1.279 C1=CC(=C(C=C1C#N)F)C=O C179065 [0,1,0,0,0,0|2,0,0]=3 373 B11R1.279 C1=CC(=C(C=C1C#N)O)C=O F590287 [0,1,0,0,0,0|2,0,0]=3 374 B11R1.279 C1=CC(=C(C=C1C=O)F)C#N F156617 [0,1,0,0,0,0|2,0,0]=3 375 B11R1.279 C1=CC(=C(C=C1C=O)O)C=O H304508 [0,1,0,0,0,0|2,0,0]=3 376 B11R1.279 CC1=C(C=CC(=C1)C#N)C=O F588526 [0,1,0,0,0,0|2,0,0]=3 377 B11R1.279 CC1=C(C=CC(=C1)C=O)OC M133647 [0,1,0,0,0,0|0,0,0]=1 378 B11R1.279 CC1=C(C=CC(=C1)CCl)OC C194161 [0,1,0,0,0,0|1,0,1]=3 379 B11R1.279 CC1=C(C=CC(=C1)OC)C=O M124189 [0,1,0,0,0,0|0,0,0]=1 380 B11R1.279 CC1=C(C=CC(=C1)OC)OC D155374 [0,1,0,0,0,0|2,0,0]=3 381 B11R1.279 CNC1=C(C=C(C=C1)C#N)N A185803 [0,1,0,0,0,0|2,0,1]=4 382 B11R1.279 COC1=C(C=C(C=C1)C#N)Br B152144 [0,1,0,0,0,0|1,0,1]=3 383 B11R1.279 COC1=C(C=C(C=C1)C#N)Cl W137412 [0,1,0,0,0,0|1,0,1]=3 384 B11R1.279 COC1=C(C=C(C=C1)C#N)F F133310 [0,1,0,0,0,0|1,0,1]=3 385 B11R1.279 COC1=C(C=C(C=C1)C#N)O H184992 [0,1,0,0,0,0|1,0,1]=3 386 B11R1.279 COC1=C(C=C(C=C1)C=O)Br B133393 [0,1,0,0,0,0|0,0,0]=1 387 B11R1.279 COC1=C(C=C(C=C1)C=O)Cl C153252 [0,1,0,0,0,0|0,0,0]=1 388 B11R1.279 COC1=C(C=C(C=C1)C=O)F F122618 [0,1,0,0,0,0|0,0,0]=1 389 B11R1.279 COC1=C(C=C(C=C1)C=O)I I168830 [0,1,0,0,0,0|0,0,0]=1 390 B11R1.279 COC1=C(C=C(C=C1)C=O)O I113433 [0,1,0,0,0,0|0,0,0]=1 391 B11R1.279 COC1=C(C=C(C=C1)CCl)F F404466 [0,1,0,0,0,0|1,0,1]=3 392 B11R1.279 COC1=C(C=C(C=C1)CN)Cl C405721 [0,1,0,0,0,0|1,0,1]=3 393 B11R1.279 COC1=C(C=C(C=C1)CN)Cl W133337 [0,1,0,0,0,0|1,0,1]=3 394 B11R1.279 COC1=C(C=C(C=C1)CN)O H170289 [0,1,0,0,0,0|1,0,1]=3 395 B11R1.279 COC1=C(C=C(C=C1)CO)Cl C167323 [0,1,0,0,0,0|0,0,2]=3 396 B11R1.279 COC1=C(C=C(C=C1)CO)I I170835 [0,1,0,0,0,0|0,0,2]=3 397 B11R1.279 COC1=C(C=C(C=C1)CO)N A586429 [0,1,0,0,0,0|0,0,2]=3 398 B11R1.279 COC1=C(C=C(C=C1)CO)O I157468 [0,1,0,0,0,0|0,0,2]=3 399 B11R1.279 COC1=CC(=C(C=C1)C#N)Br B181430 [0,1,0,0,0,0|1,0,1]=3 400 B11R1.279 COC1=CC(=C(C=C1)C#N)Cl C180973 [0,1,0,0,0,0|1,0,1]=3 401 B11R1.279 COC1=CC(=C(C=C1)C#N)F F122746 [0,1,0,0,0,0|1,0,1]=3 402 B11R1.279 COC1=CC(=C(C=C1)C#N)N A184197 [0,1,0,0,0,0|1,0,1]=3 403 B11R1.279 COC1=CC(=C(C=C1)C=O)Br B134162 [0,1,0,0,0,0|0,0,0]=1 404 B11R1.279 COC1=CC(=C(C=C1)C=O)Cl C589430 [0,1,0,0,0,0|0,0,0]=1 405 B11R1.279 COC1=CC(=C(C=C1)C=O)F F120910 [0,1,0,0,0,0|0,0,0]=1 406 B11R1.279 COC1=CC(=C(C=C1)C=O)O H106333 [0,1,0,0,0,0|0,0,0]=1 407 B11R1.279 COC1=CC(=C(C=C1)C=O)O H425389 [0,1,0,0,0,0|0,0,0]=1 408 B11R1.279 COC1=CC(=C(C=C1)N=O)O N159106 [0,1,0,0,0,0|1,0,0]=2 409 B11R1.279 COC1=CC(=C(C=C1)OC)Br B101643 [0,1,0,0,0,0|2,0,0]=3 410 B11R1.279 COC1=CC(=C(C=C1)OC)Cl C132830 [0,1,0,0,0,0|2,0,0]=3 411 B11R1.279 COC1=CC(=C(C=C1)OC)F D123994 [0,1,0,0,0,0|2,0,0]=3 412 B11R1.279 COC1=CC(=C(C=C1)OC)N D111647 [0,1,0,0,0,0|2,0,0]=3 413 B11R1.279 COC1=CC(=C(C=C1)OC)O D191676 [0,1,0,0,0,0|2,0,0]=3 414 B11R1.279 COC1=CC(=C(C=C1)OC)S D101795 [0,1,0,0,0,0|2,0,0]=3 415 B11R1.279 CSC1=NC=C(C(=N1)Cl)C=O C174338 [0,1,0,0,0,0|2,1,0]=4 416 B11R1.279 CSC1=NC=C(C(=N1)N)C=O A177409 [0,1,0,0,0,0|2,1,0]=4 417 B11R2.190 C=CC1=CC2=C(CC2)C=C1 V196176 [0,0,0,1,0,0|2,0,0]=3 418 B9R1.21 C1=C(OC(=C1)C=O)C=O D134445 [0,0,0,0,1,0|3,0,0]=4 419 B9R1.21 C1=C(OC(=C1)C=O)CCl C339618 [0,0,0,0,1,0|3,0,0]=4 420 B9R1.21 C1=C(OC(=C1)C=O)CO H106322 [0,0,0,0,1,0|3,0,0]=4 421 B9R1.21 C1=C(OC(=C1)C=O)CO H106323 [0,0,0,0,1,0|3,0,0]=4 422 B9R1.21 C1=C(OC(=C1)C=O)CO H106324 [0,0,0,0,1,0|3,0,0]=4 423 B9R1.21 C1=C(OC(=C1)C=O)CO H301743 [0,0,0,0,1,0|3,0,0]=4 424 B9R1.21 C1=C(OC(=C1)C=O)CO H344404 [0,0,0,0,1,0|3,0,0]=4 425 B9R1.21 C1=C(OC(=C1)C=O)CO H425395 [0,0,0,0,1,0|3,0,0]=4 426 B9R1.21 C1=C(SC(=C1)C#N)C=O C168604 [0,0,0,0,1,0|3,0,0]=4 427 B9R1.21 C1=C(SC(=C1)C=O)C=O T122401 [0,0,0,0,1,0|3,0,0]=4 428 B9R1.21 CCN1C=C(C=N1)C=O H303385 [0,0,0,0,1,0|3,0,0]=4 429 B9R1.21 COC1=CC=C(S1)C=O M588828 [0,0,0,0,1,0|1,0,0]=2 430 B9R1.21 CSC1=CC=C(S1)C=O M135389 [0,0,0,0,1,0|1,1,0]=3 431 B8R0.6 CC=CC=CC(=O)OC M158512 [1,0,1,0,0,0|2,0,0]=4 432 B8R0.9 CC(=O)C=CC(=O)OC M157976 [1,0,1,0,0,0|1,0,1]=4 433 B8R0.9 CC(=O)C=CC(=O)OC M464501 [1,0,1,0,0,0|1,0,1]=4 434 B8R0.9 COC(=O)C=CC(=O)O M158075 [1,0,1,0,0,0|2,0,0]=4 435 B8R0.9 COC(=O)C=CC(=O)O M158861 [1,0,1,0,0,0|2,0,0]=4 436 B8R0.9 COC(=O)C=CC(=O)O M422970 [1,0,1,0,0,0|2,0,0]=4 437 B8R1.2 C#CC1=CC=CC=C1 P107030 [2,0,0,0,0,0|1,0,1]=4 438 B8R1.2 C#CC1=CC=CC=C1 P332820 [2,0,0,0,0,0|1,0,1]=4 439 B8R1.2 C1=C(C=NC=N1)C=O P123455 [2,0,0,0,0,0|2,0,0]=4 440 B8R1.2 C1=CC(=CN=C1)C=O P106877 [2,0,0,0,0,0|1,0,0]=3 441 B8R1.2 C1=CC=C(C=C1)C#N B104457 [2,0,0,0,0,0|1,0,1]=4 442 B8R1.2 C1=CC=C(C=C1)C#N B104458 [2,0,0,0,0,0|1,0,1]=4 443 B8R1.2 C1=CC=C(C=C1)C#N B110114 [2,0,0,0,0,0|1,0,1]=4 444 B8R1.2 C1=CC=C(C=C1)C#N B113726 [2,0,0,0,0,0|1,0,1]=4 445 B8R1.2 C1=CC=C(C=C1)C#N B119686 [2,0,0,0,0,0|1,0,1]=4 446 B8R1.2 C1=CC=C(C=C1)C#N B121683 [2,0,0,0,0,0|1,0,1]=4 447 B8R1.2 C1=CC=C(C=C1)C=O B110459 [2,0,0,0,0,0|0,0,0]=2 448 B8R1.2 C1=CC=C(C=C1)C=O B110460 [2,0,0,0,0,0|0,0,0]=2 449 B8R1.2 C1=CC=C(C=C1)C=O B110463 [2,0,0,0,0,0|0,0,0]=2 450 B8R1.2 C1=CC=C(C=C1)C=O B110464 [2,0,0,0,0,0|0,0,0]=2 451 B8R1.2 C1=CC=C(C=C1)C=O B266083 [2,0,0,0,0,0|0,0,0]=2 452 B8R1.2 C1=CC=C(C=C1)C=O B420281 [2,0,0,0,0,0|0,0,0]=2 453 B8R1.2 C1=CC=C(C=C1)C=O B472001 [2,0,0,0,0,0|0,0,0]=2 454 B8R1.2 C1=CC=C(C=C1)CBr B108549 [2,0,0,0,0,0|1,0,1]=4 455 B8R1.2 C1=CC=C(C=C1)CBr B471999 [2,0,0,0,0,0|1,0,1]=4 456 B8R1.2 C1=CC=C(C=C1)CBr B472021 [2,0,0,0,0,0|1,0,1]=4 457 B8R1.2 C1=CC=C(C=C1)CCl B110580 [2,0,0,0,0,0|1,0,1]=4 458 B8R1.2 C1=CC=C(C=C1)CCl B110581 [2,0,0,0,0,0|1,0,1]=4 459 B8R1.2 C1=CC=C(C=C1)CCl B110582 [2,0,0,0,0,0|1,0,1]=4 460 B8R1.2 C1=CC=C(C=C1)CCl B141153 [2,0,0,0,0,0|1,0,1]=4 461 B8R1.2 C1=CC=C(C=C1)CCl B431204 [2,0,0,0,0,0|1,0,1]=4 462 B8R1.2 C1=CC=C(C=C1)CCl B472028 [2,0,0,0,0,0|1,0,1]=4 463 B8R1.2 C1=CC=C(C=C1)CCl B472041 [2,0,0,0,0,0|1,0,1]=4 464 B8R1.2 C1=CC=C(C=C1)CN A348464 [2,0,0,0,0,0|1,0,1]=4 465 B8R1.2 C1=CC=C(C=C1)CN B108477 [2,0,0,0,0,0|1,0,1]=4 466 B8R1.2 C1=CC=C(C=C1)CN B152179 [2,0,0,0,0,0|1,0,1]=4 467 B8R1.2 C1=CC=C(C=C1)CN B152887 [2,0,0,0,0,0|1,0,1]=4 468 B8R1.2 C1=CC=C(C=C1)CN B152949 [2,0,0,0,0,0|1,0,1]=4 469 B8R1.2 C1=CC=C(C=C1)CN B304428 [2,0,0,0,0,0|1,0,1]=4 470 B8R1.2 C1=CC=C(C=C1)CN B485378 [2,0,0,0,0,0|1,0,1]=4 471 B8R1.2 C1=CC=C(C=C1)CN P493007 [2,0,0,0,0,0|1,0,1]=4 472 B8R1.2 C1=CC=C(C=C1)CN P493016 [2,0,0,0,0,0|1,0,1]=4 473 B8R1.2 C1=CC=C(C=C1)CN P493100 [2,0,0,0,0,0|1,0,1]=4 474 B8R1.2 C1=CC=C(C=C1)CO B108199 [2,0,0,0,0,0|0,0,2]=4 475 B8R1.2 C1=CC=C(C=C1)CO B108202 [2,0,0,0,0,0|0,0,2]=4 476 B8R1.2 C1=CC=C(C=C1)CO B108203 [2,0,0,0,0,0|0,0,2]=4 477 B8R1.2 C1=CC=C(C=C1)CO B108204 [2,0,0,0,0,0|0,0,2]=4 478 B8R1.2 C1=CC=C(C=C1)CO B108205 [2,0,0,0,0,0|0,0,2]=4 479 B8R1.2 C1=CC=C(C=C1)CO B163018 [2,0,0,0,0,0|0,0,2]=4 480 B8R1.2 C1=CC=C(C=C1)CO B346959 [2,0,0,0,0,0|0,0,2]=4 481 B8R1.2 C1=CC=C(C=C1)CO B420278 [2,0,0,0,0,0|0,0,2]=4 482 B8R1.2 C1=CC=C(C=C1)CO B472101 [2,0,0,0,0,0|0,0,2]=4 483 B8R1.2 C1=CC=C(C=C1)CS B109256 [2,0,0,0,0,0|0,1,1]=4 484 B8R1.2 C1=CC=C(C=C1)I=O I157626 [2,0,0,0,0,0|1,0,0]=3 485 B8R1.2 C1=CC=C(C=C1)N=O N159156 [2,0,0,0,0,0|1,0,0]=3 486 B8R1.2 C1=CC=C(C=C1)NN P104684 [2,0,0,0,0,0|2,0,0]=4 487 B8R1.2 C1=CC=C(C=C1)NN P108563 [2,0,0,0,0,0|2,0,0]=4 488 B8R1.2 C1=CC=C(C=C1)NN P112739 [2,0,0,0,0,0|2,0,0]=4 489 B8R1.2 C1=CC=C(C=C1)NN P579459 [2,0,0,0,0,0|2,0,0]=4 490 B8R1.2 C1=CC=C(C=C1)NO N131374 [2,0,0,0,0,0|1,0,1]=4 491 B8R1.2 C1=CC=C(C=C1)ON O464484 [2,0,0,0,0,0|1,0,0]=3 492 B8R1.2 C1=CC=C(C=C1)[As]=O P336440 [2,0,0,0,0,0|1,0,0]=3 493 B8R1.2 C1=CC=C(C=C1)[Hg]Cl P598721 [2,0,0,0,0,0|2,0,0]=4 494 B8R1.2 C1=CC=C(C=C1)[Se]Cl P160704 [2,0,0,0,0,0|1,1,0]=4 495 B8R1.2 C1=CC=NC(=C1)C=O P105912 [2,0,0,0,0,0|1,0,0]=3 496 B8R1.2 C1=CN=C(C=N1)C=O P176847 [2,0,0,0,0,0|2,0,0]=4 497 B8R1.2 C1=CN=CC=C1C=O P105913 [2,0,0,0,0,0|1,0,0]=3 498 B8R1.2 C=CC1=CC=CC=C1 A304890 [2,0,0,0,0,0|1,0,0]=3 499 B8R1.2 C=CC1=CC=CC=C1 P107084 [2,0,0,0,0,0|1,0,0]=3 500 B8R1.2 C=CC1=CC=CC=C1 P107085 [2,0,0,0,0,0|1,0,0]=3 501 B8R1.2 C=CC1=CC=CC=C1 P107086 [2,0,0,0,0,0|1,0,0]=3 502 B8R1.2 C=CC1=CC=CC=C1 P107087 [2,0,0,0,0,0|1,0,0]=3 503 B8R1.2 C=CC1=CC=CC=C1 P107088 [2,0,0,0,0,0|1,0,0]=3 504 B8R1.2 C=CC1=CC=CC=C1 P107089 [2,0,0,0,0,0|1,0,0]=3 505 B8R1.2 C=CC1=CC=CC=C1 P107090 [2,0,0,0,0,0|1,0,0]=3 506 B8R1.2 C=CC1=CC=CC=C1 P107091 [2,0,0,0,0,0|1,0,0]=3 507 B8R1.2 C=CC1=CC=CC=C1 P107772 [2,0,0,0,0,0|1,0,0]=3 508 B8R1.2 C=CC1=CC=CC=C1 P107773 [2,0,0,0,0,0|1,0,0]=3 509 B8R1.2 C=CC1=CC=CC=C1 P107774 [2,0,0,0,0,0|1,0,0]=3 510 B8R1.2 C=CC1=CC=CC=C1 P107775 [2,0,0,0,0,0|1,0,0]=3 511 B8R1.2 C=CC1=CC=CC=C1 P107776 [2,0,0,0,0,0|1,0,0]=3 512 B8R1.2 C=CC1=CC=CC=C1 P107777 [2,0,0,0,0,0|1,0,0]=3 513 B8R1.2 C=CC1=CC=CC=C1 P107778 [2,0,0,0,0,0|1,0,0]=3 514 B8R1.2 C=CC1=CC=CC=C1 P107779 [2,0,0,0,0,0|1,0,0]=3 515 B8R1.2 C=CC1=CC=CC=C1 P107780 [2,0,0,0,0,0|1,0,0]=3 516 B8R1.2 C=CC1=CC=CC=C1 P107782 [2,0,0,0,0,0|1,0,0]=3 517 B8R1.2 C=CC1=CC=CC=C1 P107783 [2,0,0,0,0,0|1,0,0]=3 518 B8R1.2 C=CC1=CC=CC=C1 P107784 [2,0,0,0,0,0|1,0,0]=3 519 B8R1.2 C=CC1=CC=CC=C1 P107786 [2,0,0,0,0,0|1,0,0]=3 520 B8R1.2 C=CC1=CC=CC=C1 P107787 [2,0,0,0,0,0|1,0,0]=3 521 B8R1.2 C=CC1=CC=CC=C1 P107789 [2,0,0,0,0,0|1,0,0]=3 522 B8R1.2 C=CC1=CC=CC=C1 P107790 [2,0,0,0,0,0|1,0,0]=3 523 B8R1.2 C=CC1=CC=CC=C1 P107791 [2,0,0,0,0,0|1,0,0]=3 524 B8R1.2 C=CC1=CC=CC=C1 P107792 [2,0,0,0,0,0|1,0,0]=3 525 B8R1.2 C=CC1=CC=CC=C1 P107793 [2,0,0,0,0,0|1,0,0]=3 526 B8R1.2 C=CC1=CC=CC=C1 P107794 [2,0,0,0,0,0|1,0,0]=3 527 B8R1.2 C=CC1=CC=CC=C1 P107795 [2,0,0,0,0,0|1,0,0]=3 528 B8R1.2 C=CC1=CC=CC=C1 P107796 [2,0,0,0,0,0|1,0,0]=3 529 B8R1.2 C=CC1=CC=CC=C1 P107797 [2,0,0,0,0,0|1,0,0]=3 530 B8R1.2 C=CC1=CC=CC=C1 P107798 [2,0,0,0,0,0|1,0,0]=3 531 B8R1.2 C=CC1=CC=CC=C1 P107801 [2,0,0,0,0,0|1,0,0]=3 532 B8R1.2 C=CC1=CC=CC=C1 P107802 [2,0,0,0,0,0|1,0,0]=3 533 B8R1.2 C=CC1=CC=CC=C1 P107803 [2,0,0,0,0,0|1,0,0]=3 534 B8R1.2 C=CC1=CC=CC=C1 P107804 [2,0,0,0,0,0|1,0,0]=3 535 B8R1.2 C=CC1=CC=CC=C1 P107805 [2,0,0,0,0,0|1,0,0]=3 536 B8R1.2 C=CC1=CC=CC=C1 P107806 [2,0,0,0,0,0|1,0,0]=3 537 B8R1.2 C=CC1=CC=CC=C1 P107807 [2,0,0,0,0,0|1,0,0]=3 538 B8R1.2 C=CC1=CC=CC=C1 P107808 [2,0,0,0,0,0|1,0,0]=3 539 B8R1.2 C=CC1=CC=CC=C1 P107809 [2,0,0,0,0,0|1,0,0]=3 540 B8R1.2 C=CC1=CC=CC=C1 P107810 [2,0,0,0,0,0|1,0,0]=3 541 B8R1.2 C=CC1=CC=CC=C1 P107811 [2,0,0,0,0,0|1,0,0]=3 542 B8R1.2 C=CC1=CC=CC=C1 P107812 [2,0,0,0,0,0|1,0,0]=3 543 B8R1.2 C=CC1=CC=CC=C1 P107813 [2,0,0,0,0,0|1,0,0]=3 544 B8R1.2 C=CC1=CC=CC=C1 P107814 [2,0,0,0,0,0|1,0,0]=3 545 B8R1.2 C=CC1=CC=CC=C1 P119494 [2,0,0,0,0,0|1,0,0]=3 546 B8R1.2 C=CC1=CC=CC=C1 P119495 [2,0,0,0,0,0|1,0,0]=3 547 B8R1.2 C=CC1=CC=CC=C1 P119496 [2,0,0,0,0,0|1,0,0]=3 548 B8R1.2 C=CC1=CC=CC=C1 P119498 [2,0,0,0,0,0|1,0,0]=3 549 B8R1.2 C=CC1=CC=CC=C1 P119572 [2,0,0,0,0,0|1,0,0]=3 550 B8R1.2 C=CC1=CC=CC=C1 P304886 [2,0,0,0,0,0|1,0,0]=3 551 B8R1.2 C=CC1=CC=CC=C1 P304889 [2,0,0,0,0,0|1,0,0]=3 552 B8R1.2 C=CC1=CC=CC=C1 P434446 [2,0,0,0,0,0|1,0,0]=3 553 B8R1.2 C=CC1=CC=CC=C1 P434450 [2,0,0,0,0,0|1,0,0]=3 554 B8R1.2 C=CC1=CC=CC=C1 P434455 [2,0,0,0,0,0|1,0,0]=3 555 B8R1.2 C=CC1=CC=CC=C1 P476626 [2,0,0,0,0,0|1,0,0]=3 556 B8R1.2 C=CC1=CC=CC=C1 P490073 [2,0,0,0,0,0|1,0,0]=3 557 B8R1.2 C=CC1=CC=CC=C1 P638578 [2,0,0,0,0,0|1,0,0]=3 558 B8R1.2 C=CC1=CC=CC=C1 S110374 [2,0,0,0,0,0|1,0,0]=3 559 B8R1.2 C=CC1=CC=CC=C1 S110375 [2,0,0,0,0,0|1,0,0]=3 560 B8R1.2 C=CC1=CC=CC=C1 S110376 [2,0,0,0,0,0|1,0,0]=3 561 B8R1.2 C=CC1=CC=CC=C1 S110377 [2,0,0,0,0,0|1,0,0]=3 562 B8R1.2 C=CC1=CC=CC=C1 S110378 [2,0,0,0,0,0|1,0,0]=3 563 B8R1.2 C=CC1=CC=CC=C1 S121282 [2,0,0,0,0,0|1,0,0]=3 564 B8R1.2 C=CC1=CC=CC=N1 V106227 [2,0,0,0,0,0|2,0,0]=4 565 B8R1.2 C=CC1=CC=NC=C1 P303219 [2,0,0,0,0,0|2,0,0]=4 566 B8R1.2 C=CC1=CC=NC=C1 P303220 [2,0,0,0,0,0|2,0,0]=4 567 B8R1.2 C=CC1=CC=NC=C1 P466518 [2,0,0,0,0,0|2,0,0]=4 568 B8R1.2 C=CC1=CC=NC=C1 V105595 [2,0,0,0,0,0|2,0,0]=4 569 B8R1.2 C=CC1=CN=CC=C1 V138030 [2,0,0,0,0,0|2,0,0]=4 570 B8R1.2 CCC1=CC=CC=C1 E108144 [2,0,0,0,0,0|1,0,0]=3 571 B8R1.2 CCC1=CC=CC=C1 E108145 [2,0,0,0,0,0|1,0,0]=3 572 B8R1.2 CCC1=CC=CC=C1 E108146 [2,0,0,0,0,0|1,0,0]=3 573 B8R1.2 CCC1=CC=CC=C1 E108148 [2,0,0,0,0,0|1,0,0]=3 574 B8R1.2 CCC1=CC=CC=C1 E108149 [2,0,0,0,0,0|1,0,0]=3 575 B8R1.2 CCC1=CC=CC=C1 E117364 [2,0,0,0,0,0|1,0,0]=3 576 B8R1.2 CCC1=CC=CC=N1 E156565 [2,0,0,0,0,0|2,0,0]=4 577 B8R1.2 CCC1=CC=NC=C1 E106225 [2,0,0,0,0,0|2,0,0]=4 578 B8R1.2 CCC1=CN=CC=C1 E156048 [2,0,0,0,0,0|2,0,0]=4 579 B8R1.2 CC[N+]1=CC=CC=C1 E102660 [2,0,0,0,0,0|2,0,0]=4 580 B8R1.2 CC[N+]1=CC=CC=C1 E102661 [2,0,0,0,0,0|2,0,0]=4 581 B8R1.2 CNC1=CC=CC=C1 M109539 [2,0,0,0,0,0|1,0,0]=3 582 B8R1.2 CNC1=CC=CC=C1 M109540 [2,0,0,0,0,0|1,0,0]=3 583 B8R1.2 CNC1=CC=CC=N1 M158828 [2,0,0,0,0,0|2,0,0]=4 584 B8R1.2 CNC1=CC=NC=C1 M119978 [2,0,0,0,0,0|2,0,0]=4 585 B8R1.2 CNC1=CN=CC=C1 M158833 [2,0,0,0,0,0|2,0,0]=4 586 B8R1.2 COC1=CC=CC=C1 A103680 [2,0,0,0,0,0|0,0,0]=2 587 B8R1.2 COC1=CC=CC=C1 A103683 [2,0,0,0,0,0|0,0,0]=2 588 B8R1.2 COC1=CC=CC=C1 A103684 [2,0,0,0,0,0|0,0,0]=2 589 B8R1.2 COC1=CC=CC=C1 A105952 [2,0,0,0,0,0|0,0,0]=2 590 B8R1.2 COC1=CC=CC=C1 A472026 [2,0,0,0,0,0|0,0,0]=2 591 B8R1.2 COC1=CC=CC=N1 M120557 [2,0,0,0,0,0|1,0,0]=3 592 B8R1.2 COC1=CC=NC=C1 M120571 [2,0,0,0,0,0|1,0,0]=3 593 B8R1.2 COC1=CN=CC=C1 M134006 [2,0,0,0,0,0|1,0,0]=3 594 B8R1.2 COC1=CN=CN=C1 M303416 [2,0,0,0,0,0|2,0,0]=4 595 B8R1.2 COC1=NC=CN=C1 M136222 [2,0,0,0,0,0|2,0,0]=4 596 B8R1.2 COC1=NC=NC=C1 M158443 [2,0,0,0,0,0|2,0,0]=4 597 B8R1.2 COC1=NN=CC=C1 M157842 [2,0,0,0,0,0|2,0,0]=4 598 B8R1.2 CSC1=CC=CC=C1 T107511 [2,0,0,0,0,0|0,1,0]=3 599 B8R1.2 CSC1=CC=CC=N1 M132299 [2,0,0,0,0,0|1,1,0]=4 600 B8R1.2 C[Si]C1=CC=CC=C1 M338232 [2,0,0,0,0,0|1,0,0]=3 601 B8R1.2 [C-]#CC1=CC=CC=C1 C282525 [2,0,0,0,0,0|1,0,1]=4 602 B8R1.2 [C-]#CC1=CC=CC=C1 P331408 [2,0,0,0,0,0|1,0,1]=4 603 B8R1.3 C1=CC(=CC=C1Br)Br D104691 [2,0,0,0,0,0|2,0,0]=4 604 B8R1.3 C1=CC(=CC=C1Br)Br D104693 [2,0,0,0,0,0|2,0,0]=4 605 B8R1.3 C1=CC(=CC=C1Br)Br D121273 [2,0,0,0,0,0|2,0,0]=4 606 B8R1.3 C1=CC(=CC=C1Br)I B107004 [2,0,0,0,0,0|2,0,0]=4 607 B8R1.3 C1=CC(=CC=C1Cl)Br B106076 [2,0,0,0,0,0|2,0,0]=4 608 B8R1.3 C1=CC(=CC=C1Cl)Br B106077 [2,0,0,0,0,0|2,0,0]=4 609 B8R1.3 C1=CC(=CC=C1Cl)Cl D104666 [2,0,0,0,0,0|2,0,0]=4 610 B8R1.3 C1=CC(=CC=C1Cl)Cl D104668 [2,0,0,0,0,0|2,0,0]=4 611 B8R1.3 C1=CC(=CC=C1Cl)Cl D104670 [2,0,0,0,0,0|2,0,0]=4 612 B8R1.3 C1=CC(=CC=C1Cl)Cl D104676 [2,0,0,0,0,0|2,0,0]=4 613 B8R1.3 C1=CC(=CC=C1Cl)Cl D115108 [2,0,0,0,0,0|2,0,0]=4 614 B8R1.3 C1=CC(=CC=C1Cl)Cl D123306 [2,0,0,0,0,0|2,0,0]=4 615 B8R1.3 C1=CC(=CC=C1Cl)I C101940 [2,0,0,0,0,0|2,0,0]=4 616 B8R1.3 C1=CC(=CC=C1F)Br B107758 [2,0,0,0,0,0|2,0,0]=4 617 B8R1.3 C1=CC(=CC=C1F)Cl C122649 [2,0,0,0,0,0|2,0,0]=4 618 B8R1.3 C1=CC(=CC=C1F)F D113734 [2,0,0,0,0,0|2,0,0]=4 619 B8R1.3 C1=CC(=CC=C1F)I F100907 [2,0,0,0,0,0|2,0,0]=4 620 B8R1.3 C1=CC(=CC=C1F)S F101761 [2,0,0,0,0,0|1,1,0]=4 621 B8R1.3 C1=CC(=CC=C1I)I D111116 [2,0,0,0,0,0|2,0,0]=4 622 B8R1.3 C1=CC(=CC=C1N)Br B103946 [2,0,0,0,0,0|2,0,0]=4 623 B8R1.3 C1=CC(=CC=C1N)Cl C103934 [2,0,0,0,0,0|2,0,0]=4 624 B8R1.3 C1=CC(=CC=C1N)Cl C103935 [2,0,0,0,0,0|2,0,0]=4 625 B8R1.3 C1=CC(=CC=C1N)Cl C103936 [2,0,0,0,0,0|2,0,0]=4 626 B8R1.3 C1=CC(=CC=C1N)Cl C103945 [2,0,0,0,0,0|2,0,0]=4 627 B8R1.3 C1=CC(=CC=C1N)Cl C141217 [2,0,0,0,0,0|2,0,0]=4 628 B8R1.3 C1=CC(=CC=C1N)F F103204 [2,0,0,0,0,0|2,0,0]=4 629 B8R1.3 C1=CC(=CC=C1N)F F404104 [2,0,0,0,0,0|2,0,0]=4 630 B8R1.3 C1=CC(=CC=C1N)F F404490 [2,0,0,0,0,0|2,0,0]=4 631 B8R1.3 C1=CC(=CC=C1N)I I107029 [2,0,0,0,0,0|2,0,0]=4 632 B8R1.3 C1=CC(=CC=C1N)N D117081 [2,0,0,0,0,0|2,0,0]=4 633 B8R1.3 C1=CC(=CC=C1N)N P108424 [2,0,0,0,0,0|2,0,0]=4 634 B8R1.3 C1=CC(=CC=C1N)N P108425 [2,0,0,0,0,0|2,0,0]=4 635 B8R1.3 C1=CC(=CC=C1N)N P108426 [2,0,0,0,0,0|2,0,0]=4 636 B8R1.3 C1=CC(=CC=C1N)N P128784 [2,0,0,0,0,0|2,0,0]=4 637 B8R1.3 C1=CC(=CC=C1N)N P292856 [2,0,0,0,0,0|2,0,0]=4 638 B8R1.3 C1=CC(=CC=C1N)N P302258 [2,0,0,0,0,0|2,0,0]=4 639 B8R1.3 C1=CC(=CC=C1N)N p115806 [2,0,0,0,0,0|2,0,0]=4 640 B8R1.3 C1=CC(=CC=C1N)O A100496 [2,0,0,0,0,0|1,0,0]=3 641 B8R1.3 C1=CC(=CC=C1N)O A110564 [2,0,0,0,0,0|1,0,0]=3 642 B8R1.3 C1=CC(=CC=C1N)O A110566 [2,0,0,0,0,0|1,0,0]=3 643 B8R1.3 C1=CC(=CC=C1N)S A107494 [2,0,0,0,0,0|1,1,0]=4 644 B8R1.3 C1=CC(=CC=C1N)S A163041 [2,0,0,0,0,0|1,1,0]=4 645 B8R1.3 C1=CC(=CC=C1O)Br B100691 [2,0,0,0,0,0|1,0,0]=3 646 B8R1.3 C1=CC(=CC=C1O)Br B100692 [2,0,0,0,0,0|1,0,0]=3 647 B8R1.3 C1=CC(=CC=C1O)Cl C108253 [2,0,0,0,0,0|1,0,0]=3 648 B8R1.3 C1=CC(=CC=C1O)Cl C108254 [2,0,0,0,0,0|1,0,0]=3 649 B8R1.3 C1=CC(=CC=C1O)Cl C108255 [2,0,0,0,0,0|1,0,0]=3 650 B8R1.3 C1=CC(=CC=C1O)Cl C108256 [2,0,0,0,0,0|1,0,0]=3 651 B8R1.3 C1=CC(=CC=C1O)F F107127 [2,0,0,0,0,0|1,0,0]=3 652 B8R1.3 C1=CC(=CC=C1O)I I107037 [2,0,0,0,0,0|1,0,0]=3 653 B8R1.3 C1=CC(=CC=C1O)O H108945 [2,0,0,0,0,0|0,0,1]=3 654 B8R1.3 C1=CC(=CC=C1O)O H108946 [2,0,0,0,0,0|0,0,1]=3 655 B8R1.3 C1=CC(=CC=C1O)O H108947 [2,0,0,0,0,0|0,0,1]=3 656 B8R1.3 C1=CC(=CC=C1O)O H431621 [2,0,0,0,0,0|0,0,1]=3 657 B8R1.3 C1=CC(=CC=C1O)S M101786 [2,0,0,0,0,0|0,1,0]=3 658 B8R1.3 C1=CC(=CC=C1S)Br B101773 [2,0,0,0,0,0|1,1,0]=4 659 B8R1.3 C1=CC(=CC=C1S)Cl C101766 [2,0,0,0,0,0|1,1,0]=4 660 B8R1.3 C1=CC(=CC=C1S)S B151928 [2,0,0,0,0,0|0,2,0]=4 661 B8R1.3 C1=CC(=NC=C1O)Br B102604 [2,0,0,0,0,0|2,0,0]=4 662 B8R1.3 C1=CC(=NC=C1O)Br B399634 [2,0,0,0,0,0|2,0,0]=4 663 B8R1.3 C1=CC(=NC=C1O)Cl C102603 [2,0,0,0,0,0|2,0,0]=4 664 B8R1.3 C1=CC(=NC=C1O)F F102601 [2,0,0,0,0,0|2,0,0]=4 665 B8R1.3 C1=CC(=NC=C1O)N A185200 [2,0,0,0,0,0|2,0,0]=4 666 B8R1.3 C1=CC(=O)C=CC1=O B108670 [2,0,0,0,0,0|0,0,1]=3 667 B8R1.3 C1=CC(=O)C=CC1=O B108671 [2,0,0,0,0,0|0,0,1]=3 668 B8R1.3 C1=CC(=O)C=CC1=O B108672 [2,0,0,0,0,0|0,0,1]=3 669 B8R1.3 C1=CC(=O)C=CC1=O Q104677 [2,0,0,0,0,0|0,0,1]=3 670 B8R1.3 C1=CC(=O)NC=C1Br B152104 [2,0,0,0,0,0|2,0,0]=4 671 B8R1.3 C1=CC(=O)NC=C1Cl C136324 [2,0,0,0,0,0|2,0,0]=4 672 B8R1.3 C1=CC(=O)NC=C1F F102599 [2,0,0,0,0,0|2,0,0]=4 673 B8R1.3 C1=CC(=O)NC=C1I W131730 [2,0,0,0,0,0|2,0,0]=4 674 B8R1.3 C1=CC(=O)NC=C1N A120454 [2,0,0,0,0,0|2,0,0]=4 675 B8R1.3 CC1=CC=C(C=C1)Br B108900 [2,0,0,0,0,0|1,0,0]=3 676 B8R1.3 CC1=CC=C(C=C1)C X103333 [2,0,0,0,0,0|0,0,1]=3 677 B8R1.3 CC1=CC=C(C=C1)C X103334 [2,0,0,0,0,0|0,0,1]=3 678 B8R1.3 CC1=CC=C(C=C1)C X103336 [2,0,0,0,0,0|0,0,1]=3 679 B8R1.3 CC1=CC=C(C=C1)C X103338 [2,0,0,0,0,0|0,0,1]=3 680 B8R1.3 CC1=CC=C(C=C1)C X103339 [2,0,0,0,0,0|0,0,1]=3 681 B8R1.3 CC1=CC=C(C=C1)C X103342 [2,0,0,0,0,0|0,0,1]=3 682 B8R1.3 CC1=CC=C(C=C1)C X119715 [2,0,0,0,0,0|0,0,1]=3 683 B8R1.3 CC1=CC=C(C=C1)C X128149 [2,0,0,0,0,0|0,0,1]=3 684 B8R1.3 CC1=CC=C(C=C1)Cl C104628 [2,0,0,0,0,0|1,0,0]=3 685 B8R1.3 CC1=CC=C(C=C1)Cl C104629 [2,0,0,0,0,0|1,0,0]=3 686 B8R1.3 CC1=CC=C(C=C1)Cl C113011 [2,0,0,0,0,0|1,0,0]=3 687 B8R1.3 CC1=CC=C(C=C1)Cl C113012 [2,0,0,0,0,0|1,0,0]=3 688 B8R1.3 CC1=CC=C(C=C1)Cl C128161 [2,0,0,0,0,0|1,0,0]=3 689 B8R1.3 CC1=CC=C(C=C1)F F107110 [2,0,0,0,0,0|1,0,0]=3 690 B8R1.3 CC1=CC=C(C=C1)I I118363 [2,0,0,0,0,0|1,0,0]=3 691 B8R1.3 CC1=CC=C(C=C1)N T108450 [2,0,0,0,0,0|1,0,0]=3 692 B8R1.3 CC1=CC=C(C=C1)N T108451 [2,0,0,0,0,0|1,0,0]=3 693 B8R1.3 CC1=CC=C(C=C1)N T111232 [2,0,0,0,0,0|1,0,0]=3 694 B8R1.3 CC1=CC=C(C=C1)O C108248 [2,0,0,0,0,0|0,0,1]=3 695 B8R1.3 CC1=CC=C(C=C1)O C108249 [2,0,0,0,0,0|0,0,1]=3 696 B8R1.3 CC1=CC=C(C=C1)O C108250 [2,0,0,0,0,0|0,0,1]=3 697 B8R1.3 CC1=CC=C(C=C1)O C108251 [2,0,0,0,0,0|0,0,1]=3 698 B8R1.3 CC1=CC=C(C=C1)O C108252 [2,0,0,0,0,0|0,0,1]=3 699 B8R1.3 CC1=CC=C(C=C1)O C108640 [2,0,0,0,0,0|0,0,1]=3 700 B8R1.3 CC1=CC=C(C=C1)O C108641 [2,0,0,0,0,0|0,0,1]=3 701 B8R1.3 CC1=CC=C(C=C1)O C128202 [2,0,0,0,0,0|0,0,1]=3 702 B8R1.3 CC1=CC=C(C=C1)S T109389 [2,0,0,0,0,0|0,1,0]=3 703 B8R1.3 CC1=CC=[N+](C=C1)C D588274 [2,0,0,0,0,0|1,0,1]=4 704 B8R1.3 CC1=CC=[N+](C=C1)[O-] M158852 [2,0,0,0,0,0|1,0,1]=4 705 B8R1.3 CC1=CN=C(C=C1)Br B120720 [2,0,0,0,0,0|2,0,0]=4 706 B8R1.3 CC1=CN=C(C=C1)C L111803 [2,0,0,0,0,0|1,0,1]=4 707 B8R1.3 CC1=CN=C(C=C1)Cl C122971 [2,0,0,0,0,0|2,0,0]=4 708 B8R1.3 CC1=CN=C(C=C1)F F120713 [2,0,0,0,0,0|2,0,0]=4 709 B8R1.3 CC1=CN=C(C=C1)N A107505 [2,0,0,0,0,0|2,0,0]=4 710 B8R1.3 CC1=CNC(=O)C=C1 H107715 [2,0,0,0,0,0|1,0,0]=3 711 B8R1.3 CC1=CNC(=O)C=N1 M191984 [2,0,0,0,0,0|2,0,0]=4 712 B8R1.3 CC1=CNC(=S)C=C1 M405751 [2,0,0,0,0,0|1,1,0]=4 713 B8R1.3 CC1=NC=C(C=C1)Br B123445 [2,0,0,0,0,0|2,0,0]=4 714 B8R1.3 CC1=NC=C(C=C1)Cl C186235 [2,0,0,0,0,0|2,0,0]=4 715 B8R1.3 CC1=NC=C(C=C1)F F489688 [2,0,0,0,0,0|2,0,0]=4 716 B8R1.3 CC1=NC=C(C=C1)N A103049 [2,0,0,0,0,0|2,0,0]=4 717 B8R1.3 CC1=NC=C(C=C1)O H156935 [2,0,0,0,0,0|1,0,1]=4 718 B8R1.3 CC1=NNC(=O)C=C1 M157846 [2,0,0,0,0,0|2,0,0]=4 719 B8R1.3 CC1=[C-]C=C(C=C1)F F579402 [2,0,0,0,0,0|1,0,1]=4 720 B10R1.1 C1=CC(=CC=C1CC#N)O H121848 [1,1,0,0,0,0|1,0,1]=4 721 B10R1.1 C1=CC(=CC=C1CCBr)Br B167924 [1,1,0,0,0,0|2,0,0]=4 722 B10R1.1 C1=CC(=CC=C1CCBr)Cl C121844 [1,1,0,0,0,0|2,0,0]=4 723 B10R1.1 C1=CC(=CC=C1CCBr)F F121611 [1,1,0,0,0,0|2,0,0]=4 724 B10R1.1 C1=CC(=CC=C1CCBr)O H167212 [1,1,0,0,0,0|1,0,1]=4 725 B10R1.1 C1=CC(=CC=C1CCCl)F F156671 [1,1,0,0,0,0|2,0,0]=4 726 B10R1.1 C1=CC(=CC=C1CCN)Br B101709 [1,1,0,0,0,0|2,0,0]=4 727 B10R1.1 C1=CC(=CC=C1CCN)Br B494194 [1,1,0,0,0,0|2,0,0]=4 728 B10R1.1 C1=CC(=CC=C1CCN)Br B494196 [1,1,0,0,0,0|2,0,0]=4 729 B10R1.1 C1=CC(=CC=C1CCN)Cl C153968 [1,1,0,0,0,0|2,0,0]=4 730 B10R1.1 C1=CC(=CC=C1CCN)Cl C493551 [1,1,0,0,0,0|2,0,0]=4 731 B10R1.1 C1=CC(=CC=C1CCN)F F131906 [1,1,0,0,0,0|2,0,0]=4 732 B10R1.1 C1=CC(=CC=C1CCN)F F292669 [1,1,0,0,0,0|2,0,0]=4 733 B10R1.1 C1=CC(=CC=C1CCN)F F302836 [1,1,0,0,0,0|2,0,0]=4 734 B10R1.1 C1=CC(=CC=C1CCN)F F493198 [1,1,0,0,0,0|2,0,0]=4 735 B10R1.1 C1=CC(=CC=C1CCN)N A151503 [1,1,0,0,0,0|2,0,0]=4 736 B10R1.1 C1=CC(=CC=C1CCN)O T105543 [1,1,0,0,0,0|1,0,1]=4 737 B10R1.1 C1=CC(=CC=C1CCN)O T107153 [1,1,0,0,0,0|1,0,1]=4 738 B10R1.1 C1=CC(=CC=C1CCN)O T424437 [1,1,0,0,0,0|1,0,1]=4 739 B10R1.1 C1=CC(=CC=C1CCO)Br B153115 [1,1,0,0,0,0|2,0,0]=4 740 B10R1.1 C1=CC(=CC=C1CCO)Cl C121856 [1,1,0,0,0,0|2,0,0]=4 741 B10R1.1 C1=CC(=CC=C1CCO)F F136730 [1,1,0,0,0,0|2,0,0]=4 742 B10R1.1 C1=CC(=CC=C1CCO)N A151120 [1,1,0,0,0,0|2,0,0]=4 743 B10R1.1 C1=CC(=CC=C1CCO)O H106325 [1,1,0,0,0,0|0,0,2]=4 744 B10R1.1 C1=CC(=CC=C1CCO)O H118576 [1,1,0,0,0,0|0,0,2]=4 745 B10R1.1 C1=CC(=CC=C1CCO)O H424324 [1,1,0,0,0,0|0,0,2]=4 746 B10R1.1 C1=CC(=CC=C1CON)F A184897 [1,1,0,0,0,0|2,0,0]=4 747 B10R1.1 C1=CC(=CC=C1N=C=O)Br B120150 [1,1,0,0,0,0|1,0,1]=4 748 B10R1.1 C1=CC(=CC=C1N=C=O)Cl C102129 [1,1,0,0,0,0|1,0,1]=4 749 B10R1.1 C1=CC(=CC=C1N=C=O)F F156778 [1,1,0,0,0,0|1,0,1]=4 750 B10R1.1 C1=CC(=CC=C1N=C=O)I I352477 [1,1,0,0,0,0|1,0,1]=4 751 B10R1.1 C1=CC(=CC=C1NC=O)Br N342559 [1,1,0,0,0,0|1,0,0]=3 752 B10R1.1 C1=CC(=CC=C1NC=O)Cl N159268 [1,1,0,0,0,0|1,0,0]=3 753 B10R1.1 C1=CC(=CC=C1NC=O)F N159255 [1,1,0,0,0,0|1,0,0]=3 754 B10R1.1 C=CCC1=CC=C(C=C1)O A589273 [1,1,0,0,0,0|1,0,0]=3 755 B10R1.1 CC1=CC=C(C=C1)CC#N P160068 [1,1,0,0,0,0|1,0,1]=4 756 B10R1.1 CC1=CC=C(C=C1)CC=C A169644 [1,1,0,0,0,0|1,0,0]=3 757 B10R1.1 CC1=CC=C(C=C1)CC=O P586228 [1,1,0,0,0,0|0,0,0]=2 758 B10R1.1 CC1=CC=C(C=C1)CCBr M469504 [1,1,0,0,0,0|1,0,1]=4 759 B10R1.1 CC1=CC=C(C=C1)CCN M493506 [1,1,0,0,0,0|1,0,1]=4 760 B10R1.1 CC1=CC=C(C=C1)CCN P101999 [1,1,0,0,0,0|1,0,1]=4 761 B10R1.1 CC1=CC=C(C=C1)CCO I135268 [1,1,0,0,0,0|0,0,2]=4 762 B10R1.1 CC1=CC=C(C=C1)CNC N300479 [1,1,0,0,0,0|1,0,1]=4 763 B10R1.1 CC1=CC=C(C=C1)N=C=O T106835 [1,1,0,0,0,0|0,0,1]=3 764 B10R1.1 CC1=CC=C(C=C1)N=C=S P160464 [1,1,0,0,0,0|0,1,1]=4 765 B10R1.1 CC1=CC=C(C=C1)NC=O M158337 [1,1,0,0,0,0|0,0,0]=2 766 B10R1.1 CCCC1=CC=C(C=C1)Br B101884 [1,1,0,0,0,0|2,0,0]=4 767 B10R1.1 CCCC1=CC=C(C=C1)C P160392 [1,1,0,0,0,0|1,0,1]=4 768 B10R1.1 CCCC1=CC=C(C=C1)Cl C303901 [1,1,0,0,0,0|2,0,0]=4 769 B10R1.1 CCCC1=CC=C(C=C1)N P136525 [1,1,0,0,0,0|2,0,0]=4 770 B10R1.1 CCCC1=CC=C(C=C1)O P136692 [1,1,0,0,0,0|1,0,1]=4 771 B10R1.1 CCNC1=CC=C(C=C1)C N158982 [1,1,0,0,0,0|1,0,1]=4 772 B10R1.1 CCOC1=CC=C(C=C1)Br B113334 [1,1,0,0,0,0|1,0,0]=3 773 B10R1.1 CCOC1=CC=C(C=C1)Cl C304178 [1,1,0,0,0,0|1,0,0]=3 774 B10R1.1 CCOC1=CC=C(C=C1)F F156673 [1,1,0,0,0,0|1,0,0]=3 775 B10R1.1 CCOC1=CC=C(C=C1)I I111883 [1,1,0,0,0,0|1,0,0]=3 776 B10R1.1 CCOC1=CC=C(C=C1)N E108459 [1,1,0,0,0,0|1,0,0]=3 777 B10R1.1 CCOC1=CC=C(C=C1)N P160470 [1,1,0,0,0,0|1,0,0]=3 778 B10R1.1 CCOC1=CC=C(C=C1)O E124314 [1,1,0,0,0,0|0,0,1]=3 779 B10R1.1 CCOC1=NC=C(C=C1)Br B122972 [1,1,0,0,0,0|2,0,0]=4 780 B10R1.1 CCOC1=NC=C(C=C1)Cl C588198 [1,1,0,0,0,0|2,0,0]=4 781 B10R1.1 CNCC1=CC=C(C=C1)Br B186104 [1,1,0,0,0,0|2,0,0]=4 782 B10R1.1 CNCC1=CC=C(C=C1)Cl C153967 [1,1,0,0,0,0|2,0,0]=4 783 B10R1.1 CNCC1=CC=C(C=C1)F F156709 [1,1,0,0,0,0|2,0,0]=4 784 B10R1.1 COCC1=CC=C(C=C1)Br B181671 [1,1,0,0,0,0|1,0,0]=3 785 B10R1.1 COCC1=CC=C(C=C1)O M170858 [1,1,0,0,0,0|0,0,1]=3 786 B10R1.13 B(C1=CC=C(C=C1)C)(O)O P290670 [1,1,0,0,0,0|1,0,1]=4 787 B10R1.13 B(C1=CC=C(C=C1)C)(O)O P396101 [1,1,0,0,0,0|1,0,1]=4 788 B10R1.13 B(C1=CC=C(C=C1)C)(O)O T111324 [1,1,0,0,0,0|1,0,1]=4 789 B10R1.13 B(C1=CC=C(C=C1)O)(O)O C107574 [1,1,0,0,0,0|1,0,1]=4 790 B10R1.13 C1=CC(=CC=C1C(=N)N)Br B140178 [1,1,0,0,0,0|2,0,0]=4 791 B10R1.13 C1=CC(=CC=C1C(=N)N)Cl C153625 [1,1,0,0,0,0|2,0,0]=4 792 B10R1.13 C1=CC(=CC=C1C(=N)N)F F140179 [1,1,0,0,0,0|2,0,0]=4 793 B10R1.13 C1=CC(=CC=C1C(=N)N)N A113930 [1,1,0,0,0,0|2,0,0]=4 794 B10R1.13 C1=CC(=CC=C1C(=N)N)O H121877 [1,1,0,0,0,0|1,0,0]=3 795 B10R1.13 C1=CC(=CC=C1C(=O)Cl)Br B103223 [1,1,0,0,0,0|1,0,0]=3 796 B10R1.13 C1=CC(=CC=C1C(=O)Cl)Cl C106079 [1,1,0,0,0,0|1,0,0]=3 797 B10R1.13 C1=CC(=CC=C1C(=O)Cl)F F109226 [1,1,0,0,0,0|1,0,0]=3 798 B10R1.13 C1=CC(=CC=C1C(=O)Cl)I I157591 [1,1,0,0,0,0|1,0,0]=3 799 B10R1.13 C1=CC(=CC=C1C(=O)N)Br B133990 [1,1,0,0,0,0|1,0,0]=3 800 B10R1.13 C1=CC(=CC=C1C(=O)N)Cl C153725 [1,1,0,0,0,0|1,0,0]=3 801 B10R1.13 C1=CC(=CC=C1C(=O)N)F F109724 [1,1,0,0,0,0|1,0,0]=3 802 B10R1.13 C1=CC(=CC=C1C(=O)N)I I135499 [1,1,0,0,0,0|1,0,0]=3 803 B10R1.13 C1=CC(=CC=C1C(=O)N)N A107276 [1,1,0,0,0,0|1,0,0]=3 804 B10R1.13 C1=CC(=CC=C1C(=O)N)O H157094 [1,1,0,0,0,0|0,0,0]=2 805 B10R1.13 C1=CC(=CC=C1C(=O)O)Br B104344 [1,1,0,0,0,0|1,0,0]=3 806 B10R1.13 C1=CC(=CC=C1C(=O)O)Cl C104333 [1,1,0,0,0,0|1,0,0]=3 807 B10R1.13 C1=CC(=CC=C1C(=O)O)Cl C104334 [1,1,0,0,0,0|1,0,0]=3 808 B10R1.13 C1=CC(=CC=C1C(=O)O)Cl C433417 [1,1,0,0,0,0|1,0,0]=3 809 B10R1.13 C1=CC(=CC=C1C(=O)O)F F105088 [1,1,0,0,0,0|1,0,0]=3 810 B10R1.13 C1=CC(=CC=C1C(=O)O)F F105089 [1,1,0,0,0,0|1,0,0]=3 811 B10R1.13 C1=CC(=CC=C1C(=O)O)I I105098 [1,1,0,0,0,0|1,0,0]=3 812 B10R1.13 C1=CC(=CC=C1C(=O)O)N A108862 [1,1,0,0,0,0|1,0,0]=3 813 B10R1.13 C1=CC(=CC=C1C(=O)O)N A108863 [1,1,0,0,0,0|1,0,0]=3 814 B10R1.13 C1=CC(=CC=C1C(=O)O)N A421766 [1,1,0,0,0,0|1,0,0]=3 815 B10R1.13 C1=CC(=CC=C1C(=O)O)N A432150 [1,1,0,0,0,0|1,0,0]=3 816 B10R1.13 C1=CC(=CC=C1C(=O)O)O H108508 [1,1,0,0,0,0|0,0,0]=2 817 B10R1.13 C1=CC(=CC=C1C(=O)O)O H108509 [1,1,0,0,0,0|0,0,0]=2 818 B10R1.13 C1=CC(=CC=C1C(=O)O)O P427231 [1,1,0,0,0,0|0,0,0]=2 819 B10R1.13 C1=CC(=CC=C1C(=O)O)S M100780 [1,1,0,0,0,0|0,1,0]=3 820 B10R1.13 C1=CC(=CC=C1C(=O)O)S M431355 [1,1,0,0,0,0|0,1,0]=3 821 B10R1.13 C1=CC(=CC=C1C(=O)[O-])F S358726 [1,1,0,0,0,0|1,0,0]=3 822 B10R1.13 C1=CC(=CC=C1C(=O)[O-])N A111607 [1,1,0,0,0,0|1,0,0]=3 823 B10R1.13 C1=CC(=CC=C1C(=O)[O-])N A111608 [1,1,0,0,0,0|1,0,0]=3 824 B10R1.13 C1=CC(=CC=C1C(=O)[O-])N A167159 [1,1,0,0,0,0|1,0,0]=3 825 B10R1.13 C1=CC(=CC=C1C(=O)[O-])N A474259 [1,1,0,0,0,0|1,0,0]=3 826 B10R1.13 C1=CC(=CC=C1C(=O)[O-])O H105643 [1,1,0,0,0,0|0,0,0]=2 827 B10R1.13 C1=CC(=CC=C1C(=O)[O-])O H105644 [1,1,0,0,0,0|0,0,0]=2 828 B10R1.13 C1=CC(=CC=C1C(=S)N)Br B140152 [1,1,0,0,0,0|1,1,0]=4 829 B10R1.13 C1=CC(=CC=C1C(=S)N)Cl C140150 [1,1,0,0,0,0|1,1,0]=4 830 B10R1.13 C1=CC(=CC=C1C(=S)N)O H101894 [1,1,0,0,0,0|0,1,0]=3 831 B10R1.13 C1=CC(=CC=C1F)S(=O)[O-] S195189 [1,1,0,0,0,0|2,0,0]=4 832 B10R1.13 C1=CC(=CC=C1N)[N+](=O)[O-] N111641 [1,1,0,0,0,0|2,0,0]=4 833 B10R1.13 C1=CC(=CC=C1N)[N+](=O)[O-] N111643 [1,1,0,0,0,0|2,0,0]=4 834 B10R1.13 C1=CC(=CC=C1N)[N+](=O)[O-] N117383 [1,1,0,0,0,0|2,0,0]=4 835 B10R1.13 C1=CC(=CC=C1N)[N+](=O)[O-] N158959 [1,1,0,0,0,0|2,0,0]=4 836 B10R1.13 C1=CC(=CC=C1N)[N+](=O)[O-] P276604 [1,1,0,0,0,0|2,0,0]=4 837 B10R1.13 C1=CC(=CC=C1S(=O)[O-])Cl C134302 [1,1,0,0,0,0|2,0,0]=4 838 B10R1.13 C1=CC(=CC=C1[N+](=O)[O-])Br B153155 [1,1,0,0,0,0|2,0,0]=4 839 B10R1.13 C1=CC(=CC=C1[N+](=O)[O-])Cl C108539 [1,1,0,0,0,0|2,0,0]=4 840 B10R1.13 C1=CC(=CC=C1[N+](=O)[O-])Cl C108540 [1,1,0,0,0,0|2,0,0]=4 841 B10R1.13 C1=CC(=CC=C1[N+](=O)[O-])Cl C108541 [1,1,0,0,0,0|2,0,0]=4 842 B10R1.13 C1=CC(=CC=C1[N+](=O)[O-])Cl C108542 [1,1,0,0,0,0|2,0,0]=4 843 B10R1.13 C1=CC(=CC=C1[N+](=O)[O-])F F107055 [1,1,0,0,0,0|2,0,0]=4 844 B10R1.13 C1=CC(=CC=C1[N+](=O)[O-])I I107038 [1,1,0,0,0,0|2,0,0]=4 845 B10R1.13 C1=CC(=CC=C1[N+](=O)[O-])O N108643 [1,1,0,0,0,0|1,0,0]=3 846 B10R1.13 C1=CC(=CC=C1[N+](=O)[O-])O N591132 [1,1,0,0,0,0|1,0,0]=3 847 B10R1.13 C1=CC(=CC=C1[N+](=O)[O-])O P572406 [1,1,0,0,0,0|1,0,0]=3 848 B10R1.13 C1=CC(=CC=C1[N+](=O)[O-])S N101757 [1,1,0,0,0,0|1,1,0]=4 849 B10R1.13 C1=CC(=CC=C1[N+](=O)[O-])[O-] N304726 [1,1,0,0,0,0|1,0,1]=4 850 B10R1.13 C1=CC(=NC=C1Br)C(=O)O B151859 [1,1,0,0,0,0|2,0,0]=4 851 B10R1.13 C1=CC(=NC=C1C(=O)Cl)Cl C113581 [1,1,0,0,0,0|2,0,0]=4 852 B10R1.13 C1=CC(=NC=C1C(=O)N)Br B187814 [1,1,0,0,0,0|2,0,0]=4 853 B10R1.13 C1=CC(=NC=C1C(=O)N)Cl C154058 [1,1,0,0,0,0|2,0,0]=4 854 B10R1.13 C1=CC(=NC=C1C(=O)N)N A112600 [1,1,0,0,0,0|2,0,0]=4 855 B10R1.13 C1=CC(=NC=C1C(=O)O)Br B151851 [1,1,0,0,0,0|2,0,0]=4 856 B10R1.13 C1=CC(=NC=C1C(=O)O)Cl C128115 [1,1,0,0,0,0|2,0,0]=4 857 B10R1.13 C1=CC(=NC=C1C(=O)O)F F170170 [1,1,0,0,0,0|2,0,0]=4 858 B10R1.13 C1=CC(=NC=C1C(=O)O)N A113866 [1,1,0,0,0,0|2,0,0]=4 859 B10R1.13 C1=CC(=NC=C1Cl)C(=O)O C137081 [1,1,0,0,0,0|2,0,0]=4 860 B10R1.13 C1=CC(=NC=C1F)C(=O)O F137992 [1,1,0,0,0,0|2,0,0]=4 861 B10R1.13 C1=CC(=NC=C1N)C(=O)O A123111 [1,1,0,0,0,0|2,0,0]=4 862 B10R1.13 C1=CC(=NC=C1O)C(=O)O H156934 [1,1,0,0,0,0|1,0,0]=3 863 B10R1.13 C1=CC(=NC=C1O)[N+](=O)[O-] H191090 [1,1,0,0,0,0|2,0,0]=4 864 B10R1.13 C1=CC(=O)NC=C1C(=O)O H108017 [1,1,0,0,0,0|1,0,1]=4 865 B10R1.13 C1=CC(=O)NC=C1C(=O)O H108018 [1,1,0,0,0,0|1,0,1]=4 866 B10R1.13 C1=CC(=O)NC=C1C(=O)O H424315 [1,1,0,0,0,0|1,0,1]=4 867 B10R1.13 C1=CC(=O)OC=C1C(=O)O C153427 [1,1,0,0,0,0|1,0,1]=4 868 B10R1.13 C1=CC(=O)OC=C1C(=O)O C197213 [1,1,0,0,0,0|1,0,1]=4 869 B10R1.13 C1=C[N+](=CC=C1C(=O)O)[O-] I157692 [1,1,0,0,0,0|1,0,1]=4 870 B10R1.13 CC(=C)C1=CC=C(C=C1)F F156644 [1,1,0,0,0,0|2,0,0]=4 871 B10R1.13 CC(=C)C1=CC=C(C=C1)O P193379 [1,1,0,0,0,0|1,0,0]=3 872 B10R1.13 CC(=O)C1=CC=C(C=C1)Br B106981 [1,1,0,0,0,0|1,0,0]=3 873 B10R1.13 CC(=O)C1=CC=C(C=C1)Cl C103870 [1,1,0,0,0,0|1,0,0]=3 874 B10R1.13 CC(=O)C1=CC=C(C=C1)F F101384 [1,1,0,0,0,0|1,0,0]=3 875 B10R1.13 CC(=O)C1=CC=C(C=C1)I I107027 [1,1,0,0,0,0|1,0,0]=3 876 B10R1.13 CC(=O)C1=CC=C(C=C1)N A110613 [1,1,0,0,0,0|1,0,0]=3 877 B10R1.13 CC(=O)C1=CC=C(C=C1)N A110614 [1,1,0,0,0,0|1,0,0]=3 878 B10R1.13 CC(=O)C1=CC=C(C=C1)N A151685 [1,1,0,0,0,0|1,0,0]=3 879 B10R1.13 CC(=O)C1=CC=C(C=C1)O H102969 [1,1,0,0,0,0|0,0,0]=2 880 B10R1.13 CC(=O)C1=CC=C(C=C1)S M407301 [1,1,0,0,0,0|0,1,0]=3 881 B10R1.13 CC(=O)C1=CN=C(C=C1)Br B115765 [1,1,0,0,0,0|2,0,0]=4 882 B10R1.13 CC(=O)C1=CN=C(C=C1)Cl A151743 [1,1,0,0,0,0|2,0,0]=4 883 B10R1.13 CC(=O)C1=CN=C(C=C1)F F186855 [1,1,0,0,0,0|2,0,0]=4 884 B10R1.13 CC(=O)C1=NC=C(C=C1)Br B182791 [1,1,0,0,0,0|2,0,0]=4 885 B10R1.13 CC(=O)C1=NC=C(C=C1)O H194521 [1,1,0,0,0,0|1,0,0]=3 886 B10R1.13 CC(C)C1=CC=C(C=C1)Br B102079 [1,1,0,0,0,0|2,0,0]=4 887 B10R1.13 CC(C)C1=CC=C(C=C1)I I587659 [1,1,0,0,0,0|2,0,0]=4 888 B10R1.13 CC(C)C1=CC=C(C=C1)N I101369 [1,1,0,0,0,0|2,0,0]=4 889 B10R1.13 CC(C)C1=CC=C(C=C1)N I106863 [1,1,0,0,0,0|2,0,0]=4 890 B10R1.13 CC(C)C1=CC=C(C=C1)O I101756 [1,1,0,0,0,0|1,0,1]=4 891 B10R1.13 CC(C)C1=CC=C(C=C1)S I101777 [1,1,0,0,0,0|1,1,0]=4 892 B10R1.13 CC(C1=CC=C(C=C1)Br)N B113790 [1,1,0,0,0,0|2,0,0]=4 893 B10R1.13 CC(C1=CC=C(C=C1)Br)N B151926 [1,1,0,0,0,0|2,0,0]=4 894 B10R1.13 CC(C1=CC=C(C=C1)Br)N R138868 [1,1,0,0,0,0|2,0,0]=4 895 B10R1.13 CC(C1=CC=C(C=C1)Br)N R409459 [1,1,0,0,0,0|2,0,0]=4 896 B10R1.13 CC(C1=CC=C(C=C1)Br)O B153117 [1,1,0,0,0,0|2,0,0]=4 897 B10R1.13 CC(C1=CC=C(C=C1)Br)O I131837 [1,1,0,0,0,0|2,0,0]=4 898 B10R1.13 CC(C1=CC=C(C=C1)Cl)N C111118 [1,1,0,0,0,0|2,0,0]=4 899 B10R1.13 CC(C1=CC=C(C=C1)Cl)N C171312 [1,1,0,0,0,0|2,0,0]=4 900 B10R1.13 CC(C1=CC=C(C=C1)Cl)N C185668 [1,1,0,0,0,0|2,0,0]=4 901 B10R1.13 CC(C1=CC=C(C=C1)Cl)N R588512 [1,1,0,0,0,0|2,0,0]=4 902 B10R1.13 CC(C1=CC=C(C=C1)Cl)O C153305 [1,1,0,0,0,0|2,0,0]=4 903 B10R1.13 CC(C1=CC=C(C=C1)Cl)O S196166 [1,1,0,0,0,0|2,0,0]=4 904 B10R1.13 CC(C1=CC=C(C=C1)F)N F122770 [1,1,0,0,0,0|2,0,0]=4 905 B10R1.13 CC(C1=CC=C(C=C1)F)N R303591 [1,1,0,0,0,0|2,0,0]=4 906 B10R1.13 CC(C1=CC=C(C=C1)F)O F156599 [1,1,0,0,0,0|2,0,0]=4 907 B10R1.13 CC(C1=CC=C(C=C1)I)N I195715 [1,1,0,0,0,0|2,0,0]=4 908 B10R1.13 CC(C1=CC=C(C=C1)I)N L489513 [1,1,0,0,0,0|2,0,0]=4 909 B10R1.13 CC(C1=CC=C(C=C1)I)N R489522 [1,1,0,0,0,0|2,0,0]=4 910 B10R1.13 CC(C1=CC=C(C=C1)I)N S489515 [1,1,0,0,0,0|2,0,0]=4 911 B10R1.13 CC(C1=CC=C(C=C1)N)O H167342 [1,1,0,0,0,0|2,0,0]=4 912 B10R1.13 CC(C1=CC=C(C=C1)O)O H192225 [1,1,0,0,0,0|0,0,2]=4 913 B10R1.13 CC1=CC=C(C=C1)C(=C)C I157628 [1,1,0,0,0,0|1,0,0]=3 914 B10R1.13 CC1=CC=C(C=C1)C(=N)N M135239 [1,1,0,0,0,0|1,0,0]=3 915 B10R1.13 CC1=CC=C(C=C1)C(=O)C M106726 [1,1,0,0,0,0|0,0,0]=2 916 B10R1.13 CC1=CC=C(C=C1)C(=O)C M140798 [1,1,0,0,0,0|0,0,0]=2 917 B10R1.13 CC1=CC=C(C=C1)C(=O)Cl T106376 [1,1,0,0,0,0|0,0,0]=2 918 B10R1.13 CC1=CC=C(C=C1)C(=O)N P160467 [1,1,0,0,0,0|0,0,0]=2 919 B10R1.13 CC1=CC=C(C=C1)C(=O)O T104320 [1,1,0,0,0,0|0,0,0]=2 920 B10R1.13 CC1=CC=C(C=C1)C(=O)O T119535 [1,1,0,0,0,0|0,0,0]=2 921 B10R1.13 CC1=CC=C(C=C1)C(=O)O T305431 [1,1,0,0,0,0|0,0,0]=2 922 B10R1.13 CC1=CC=C(C=C1)C(=S)N M140148 [1,1,0,0,0,0|0,1,0]=3 923 B10R1.13 CC1=CC=C(C=C1)C(C)C D102667 [1,1,0,0,0,0|1,0,1]=4 924 B10R1.13 CC1=CC=C(C=C1)C(C)C D118512 [1,1,0,0,0,0|1,0,1]=4 925 B10R1.13 CC1=CC=C(C=C1)C(C)C I105448 [1,1,0,0,0,0|1,0,1]=4 926 B10R1.13 CC1=CC=C(C=C1)C(C)C I105449 [1,1,0,0,0,0|1,0,1]=4 927 B10R1.13 CC1=CC=C(C=C1)C(C)C I105451 [1,1,0,0,0,0|1,0,1]=4 928 B10R1.13 CC1=CC=C(C=C1)C(C)N D113666 [1,1,0,0,0,0|1,0,1]=4 929 B10R1.13 CC1=CC=C(C=C1)C(C)N P160184 [1,1,0,0,0,0|1,0,1]=4 930 B10R1.13 CC1=CC=C(C=C1)C(C)N R160847 [1,1,0,0,0,0|1,0,1]=4 931 B10R1.13 CC1=CC=C(C=C1)C(C)O P160711 [1,1,0,0,0,0|0,0,2]=4 932 B10R1.13 CC1=CC=C(C=C1)N(C)C N158974 [1,1,0,0,0,0|1,0,1]=4 933 B10R1.13 CC1=CC=C(C=C1)S(=O)C M304998 [1,1,0,0,0,0|1,0,0]=3 934 B10R1.13 CC1=CC=C(C=C1)S(=O)N I168991 [1,1,0,0,0,0|1,0,0]=3 935 B10R1.13 CC1=CC=C(C=C1)S(=O)N S161364 [1,1,0,0,0,0|1,0,0]=3 936 B10R1.13 CC1=CC=C(C=C1)S(=O)[O-] L348763 [1,1,0,0,0,0|1,0,0]=3 937 B10R1.13 CC1=CC=C(C=C1)S(=O)[O-] S100400 [1,1,0,0,0,0|1,0,0]=3 938 B10R1.13 CC1=CC=C(C=C1)S(=O)[O-] S100401 [1,1,0,0,0,0|1,0,0]=3 939 B10R1.13 CC1=CC=C(C=C1)S(=O)[O-] S161159 [1,1,0,0,0,0|1,0,0]=3 940 B10R1.13 CC1=CC=C(C=C1)[N+](=O)[O-] N104645 [1,1,0,0,0,0|1,0,0]=3 941 B10R1.13 CC1=CC=C(C=C1)[N+](=O)[O-] N104647 [1,1,0,0,0,0|1,0,0]=3 942 B10R1.13 CC1=CC=C(C=C1)[N+](=O)[O-] N118455 [1,1,0,0,0,0|1,0,0]=3 943 B10R1.13 CC1=CC=C(C=C1)[N+](=O)[O-] N119545 [1,1,0,0,0,0|1,0,0]=3 944 B10R1.13 CC1=CN=C(C=C1)C(=O)C A185017 [1,1,0,0,0,0|1,0,0]=3 945 B10R1.13 CC1=CN=C(C=C1)C(=O)O M193433 [1,1,0,0,0,0|1,0,0]=3 946 B10R1.13 CC1=CN=C(C=C1)[N+](=O)[O-] N179288 [1,1,0,0,0,0|2,0,0]=4 947 B10R1.13 CC1=CN=C(C=N1)C(=O)O M106709 [1,1,0,0,0,0|2,0,0]=4 948 B10R1.13 CC1=NC=C(C=C1)C(=O)C A123439 [1,1,0,0,0,0|1,0,0]=3 949 B10R1.13 CC1=NC=C(C=C1)C(=O)N M139191 [1,1,0,0,0,0|1,0,0]=3 950 B10R1.13 CC1=NC=C(C=C1)C(=O)O M128104 [1,1,0,0,0,0|1,0,0]=3 951 B10R1.13 CC1=NC=C(C=C1)[N+](=O)[O-] M120570 [1,1,0,0,0,0|2,0,0]=4 952 B10R1.13 CC1=NC=C(C=N1)C(=O)O M120447 [1,1,0,0,0,0|2,0,0]=4 953 B10R1.13 CN(C)C1=CC=C(C=C1)Br B120305 [1,1,0,0,0,0|2,0,0]=4 954 B10R1.13 CN(C)C1=CC=C(C=C1)F F156712 [1,1,0,0,0,0|2,0,0]=4 955 B10R1.13 CN(C)C1=CC=C(C=C1)N D100438 [1,1,0,0,0,0|2,0,0]=4 956 B10R1.13 CN(C)C1=CC=C(C=C1)N D105596 [1,1,0,0,0,0|2,0,0]=4 957 B10R1.13 CN(C)C1=CC=C(C=C1)N D106285 [1,1,0,0,0,0|2,0,0]=4 958 B10R1.13 CN(C)C1=CC=C(C=C1)N D110992 [1,1,0,0,0,0|2,0,0]=4 959 B10R1.13 CN(C)C1=CC=C(C=C1)N D110993 [1,1,0,0,0,0|2,0,0]=4 960 B10R1.13 CN(C)C1=CC=C(C=C1)N I168425 [1,1,0,0,0,0|2,0,0]=4 961 B10R1.13 CN(C)C1=CC=C(C=C1)O D194230 [1,1,0,0,0,0|1,0,1]=4 962 B10R1.13 CN(C)C1=CC=C(C=C1)S D155401 [1,1,0,0,0,0|1,1,0]=4 963 B10R1.13 CS(=O)C1=CC=C(C=C1)Br B188392 [1,1,0,0,0,0|1,1,0]=4 964 B10R1.13 C[S+](C)C1=CC=C(C=C1)O H156984 [1,1,0,0,0,0|0,1,1]=4 965 B10R1.25 C1=C(C(=CN=C1Cl)C=O)Cl D586277 [1,1,0,0,0,0|2,0,0]=4 966 B10R1.25 C1=C(C(=CN=C1Cl)C=O)N A586085 [1,1,0,0,0,0|2,0,0]=4 967 B10R1.25 C1=C(C=NC(=C1N)C=O)Br A173233 [1,1,0,0,0,0|2,0,0]=4 968 B10R1.25 C1=CC(=C(C=C1Br)Cl)C=O B132006 [1,1,0,0,0,0|1,0,0]=3 969 B10R1.25 C1=CC(=C(C=C1Br)F)C=O B113798 [1,1,0,0,0,0|1,0,0]=3 970 B10R1.25 C1=CC(=C(C=C1Br)O)C=O B124175 [1,1,0,0,0,0|1,0,0]=3 971 B10R1.25 C1=CC(=C(C=C1Cl)Br)C=O B177580 [1,1,0,0,0,0|1,0,0]=3 972 B10R1.25 C1=CC(=C(C=C1Cl)Cl)C=O D100690 [1,1,0,0,0,0|1,0,0]=3 973 B10R1.25 C1=CC(=C(C=C1Cl)F)C=O C120609 [1,1,0,0,0,0|1,0,0]=3 974 B10R1.25 C1=CC(=C(C=C1Cl)O)C=O C140242 [1,1,0,0,0,0|1,0,0]=3 975 B10R1.25 C1=CC(=C(C=C1F)Br)C=O B120674 [1,1,0,0,0,0|1,0,0]=3 976 B10R1.25 C1=CC(=C(C=C1F)Cl)C=O C120604 [1,1,0,0,0,0|1,0,0]=3 977 B10R1.25 C1=CC(=C(C=C1F)F)C=O D120656 [1,1,0,0,0,0|1,0,0]=3 978 B10R1.25 C1=CC(=C(C=C1F)O)C=O F124183 [1,1,0,0,0,0|1,0,0]=3 979 B10R1.25 C1=CC(=C(C=C1O)Br)C=O B588246 [1,1,0,0,0,0|0,0,0]=2 980 B10R1.25 C1=CC(=C(C=C1O)Cl)C#N C123974 [1,1,0,0,0,0|1,0,1]=4 981 B10R1.25 C1=CC(=C(C=C1O)Cl)C=O W134215 [1,1,0,0,0,0|0,0,0]=2 982 B10R1.25 C1=CC(=C(C=C1O)F)C#N F103201 [1,1,0,0,0,0|1,0,1]=4 983 B10R1.25 C1=CC(=C(C=C1O)F)C=O F124151 [1,1,0,0,0,0|0,0,0]=2 984 B10R1.25 C1=CC(=C(C=C1O)O)C=O D106474 [1,1,0,0,0,0|0,0,0]=2 985 B10R1.25 C1=CC(=NC(=C1C=O)Cl)Br B165963 [1,1,0,0,0,0|2,0,0]=4 986 B10R1.25 C1=CC(=NC(=C1C=O)Cl)Cl D154201 [1,1,0,0,0,0|2,0,0]=4 987 B10R1.25 C1=CC(=NC(=C1C=O)F)F D181754 [1,1,0,0,0,0|2,0,0]=4 988 B10R1.25 CC1=C(C=CC(=C1)Br)C=O B134372 [1,1,0,0,0,0|1,0,0]=3 989 B10R1.25 CC1=C(C=CC(=C1)Br)OC B122705 [1,1,0,0,0,0|1,0,0]=3 990 B10R1.25 CC1=C(C=CC(=C1)Cl)C=O C193235 [1,1,0,0,0,0|1,0,0]=3 991 B10R1.25 CC1=C(C=CC(=C1)Cl)OC C153447 [1,1,0,0,0,0|1,0,0]=3 992 B10R1.25 CC1=C(C=CC(=C1)F)C=O F120645 [1,1,0,0,0,0|1,0,0]=3 993 B10R1.25 CC1=C(C=CC(=C1)N)OC M140237 [1,1,0,0,0,0|1,0,0]=3 994 B10R1.25 CC1=C(C=CC(=C1)O)SC M158095 [1,1,0,0,0,0|0,1,1]=4 995 B10R1.25 CC1=C(C=CC(=N1)Cl)C=O C187655 [1,1,0,0,0,0|2,0,0]=4 996 B10R1.25 CC1=CC(=C(C=C1)C#N)Br W135911 [1,1,0,0,0,0|1,0,1]=4 997 B10R1.25 CC1=CC(=C(C=C1)C#N)C D154445 [1,1,0,0,0,0|1,0,1]=4 998 B10R1.25 CC1=CC(=C(C=C1)C#N)Cl C182776 [1,1,0,0,0,0|1,0,1]=4 999 B10R1.25 CC1=CC(=C(C=C1)C#N)F F120481 [1,1,0,0,0,0|1,0,1]=4 1000 B10R1.25 CC1=CC(=C(C=C1)C#N)N A123969 [1,1,0,0,0,0|1,0,1]=4 1001 B10R1.25 CC1=CC(=C(C=C1)C#N)O H182292 [1,1,0,0,0,0|1,0,1]=4 1002 B10R1.25 CC1=CC(=C(C=C1)C=O)Br B186774 [1,1,0,0,0,0|0,0,0]=2 1003 B10R1.25 CC1=CC(=C(C=C1)C=O)C D103125 [1,1,0,0,0,0|0,0,0]=2 1004 B10R1.25 CC1=CC(=C(C=C1)C=O)Cl C135937 [1,1,0,0,0,0|0,0,0]=2 1005 B10R1.25 CC1=CC(=C(C=C1)C=O)F F120634 [1,1,0,0,0,0|0,0,0]=2 1006 B10R1.25 CC1=CC(=C(C=C1)C=O)O H124155 [1,1,0,0,0,0|0,0,0]=2 1007 B10R1.25 CC1=CC(=C(C=C1)CCl)C D304725 [1,1,0,0,0,0|1,0,1]=4 1008 B10R1.25 CC1=CC(=C(C=C1)CO)C D155716 [1,1,0,0,0,0|0,0,2]=4 1009 B10R1.25 CC1=CC(=C(C=C1)CO)Cl C588985 [1,1,0,0,0,0|0,0,2]=4 1010 B10R1.25 CC1=CC(=C(C=C1)NN)C D102567 [1,1,0,0,0,0|2,0,0]=4 1011 B10R1.25 CC1=CC(=C(C=C1)OC)Br B135797 [1,1,0,0,0,0|0,0,1]=3 1012 B10R1.25 CC1=CC(=C(C=C1)OC)N M114090 [1,1,0,0,0,0|0,0,1]=3 1013 B10R1.25 CC1=CC(=C(C=C1)OC)N M131613 [1,1,0,0,0,0|0,0,1]=3 1014 B10R1.25 CC1=CC(=C(C=C1)OC)O M124273 [1,1,0,0,0,0|0,0,1]=3 1015 B10R1.25 CC1=CC(=C(N=C1)OC)Br B186222 [1,1,0,0,0,0|1,0,1]=4 1016 B10R1.25 CC1=CC(=CN=C1C=O)Br B355007 [1,1,0,0,0,0|2,0,0]=4 1017 B10R1.25 CC1=CC(=CN=C1OC)N W136054 [1,1,0,0,0,0|2,0,0]=4 1018 B10R1.25 CC1=CC(=NC=C1C=O)Cl C187656 [1,1,0,0,0,0|2,0,0]=4 1019 B10R1.25 CCC1=C(C=C(C=C1)C)C E156304 [1,1,0,0,0,0|1,0,1]=4 1020 B10R1.25 CCC1=C(C=C(C=C1)O)O E100551 [1,1,0,0,0,0|1,0,1]=4 1021 B10R1.25 CNC1=C(C=C(C=C1)Br)Br D469616 [1,1,0,0,0,0|2,0,0]=4 1022 B10R1.25 CNC1=C(C=C(C=C1)Cl)Cl D169801 [1,1,0,0,0,0|2,0,0]=4 1023 B10R1.25 CNC1=C(C=C(C=C1)Cl)N C194119 [1,1,0,0,0,0|2,0,0]=4 1024 B10R1.25 COC1=C(C=C(C=C1)Br)Br D132966 [1,1,0,0,0,0|1,0,0]=3 1025 B10R1.25 COC1=C(C=C(C=C1)Br)Cl B357163 [1,1,0,0,0,0|1,0,0]=3 1026 B10R1.25 COC1=C(C=C(C=C1)Br)F B101646 [1,1,0,0,0,0|1,0,0]=3 1027 B10R1.25 COC1=C(C=C(C=C1)Br)N B134097 [1,1,0,0,0,0|1,0,0]=3 1028 B10R1.25 COC1=C(C=C(C=C1)Br)O B137212 [1,1,0,0,0,0|1,0,0]=3 1029 B10R1.25 COC1=C(C=C(C=C1)Cl)Br B101886 [1,1,0,0,0,0|1,0,0]=3 1030 B10R1.25 COC1=C(C=C(C=C1)Cl)Cl D155538 [1,1,0,0,0,0|1,0,0]=3 1031 B10R1.25 COC1=C(C=C(C=C1)Cl)F C332053 [1,1,0,0,0,0|1,0,0]=3 1032 B10R1.25 COC1=C(C=C(C=C1)Cl)I C189153 [1,1,0,0,0,0|1,0,0]=3 1033 B10R1.25 COC1=C(C=C(C=C1)Cl)N C153904 [1,1,0,0,0,0|1,0,0]=3 1034 B10R1.25 COC1=C(C=C(C=C1)Cl)O C193052 [1,1,0,0,0,0|1,0,0]=3 1035 B10R1.25 COC1=C(C=C(C=C1)F)Br B120999 [1,1,0,0,0,0|1,0,0]=3 1036 B10R1.25 COC1=C(C=C(C=C1)F)Cl C122583 [1,1,0,0,0,0|1,0,0]=3 1037 B10R1.25 COC1=C(C=C(C=C1)F)F D122592 [1,1,0,0,0,0|1,0,0]=3 1038 B10R1.25 COC1=C(C=C(C=C1)F)N F122496 [1,1,0,0,0,0|1,0,0]=3 1039 B10R1.25 COC1=C(C=C(C=C1)F)N F598725 [1,1,0,0,0,0|1,0,0]=3 1040 B10R1.25 COC1=C(C=C(C=C1)F)O F186288 [1,1,0,0,0,0|1,0,0]=3 1041 B10R1.25 COC1=C(C=C(C=C1)I)F F193110 [1,1,0,0,0,0|1,0,0]=3 1042 B10R1.25 COC1=C(C=C(C=C1)I)N I136035 [1,1,0,0,0,0|1,0,0]=3 1043 B10R1.25 COC1=C(C=C(C=C1)N)Br B135326 [1,1,0,0,0,0|1,0,0]=3 1044 B10R1.25 COC1=C(C=C(C=C1)N)Cl C124254 [1,1,0,0,0,0|1,0,0]=3 1045 B10R1.25 COC1=C(C=C(C=C1)N)F F120575 [1,1,0,0,0,0|1,0,0]=3 1046 B10R1.25 COC1=C(C=C(C=C1)N)I I139236 [1,1,0,0,0,0|1,0,0]=3 1047 B10R1.25 COC1=C(C=C(C=C1)N)N D154686 [1,1,0,0,0,0|1,0,0]=3 1048 B10R1.25 COC1=C(C=C(C=C1)N)N D573312 [1,1,0,0,0,0|1,0,0]=3 1049 B10R1.25 COC1=C(C=C(C=C1)N)N M114086 [1,1,0,0,0,0|1,0,0]=3 1050 B10R1.25 COC1=C(C=C(C=C1)N)O H157240 [1,1,0,0,0,0|1,0,0]=3 1051 B10R1.25 COC1=C(C=C(C=C1)O)Br B182087 [1,1,0,0,0,0|0,0,1]=3 1052 B10R1.25 COC1=C(C=C(C=C1)O)F F193465 [1,1,0,0,0,0|0,0,1]=3 1053 B10R1.25 COC1=C(C=C(C=C1)O)O M304130 [1,1,0,0,0,0|0,0,1]=3 1054 B10R1.25 COC1=C(C=C(C=N1)Br)Br W131876 [1,1,0,0,0,0|2,0,0]=4 1055 B10R1.25 COC1=C(C=C(C=N1)Br)Cl B136789 [1,1,0,0,0,0|2,0,0]=4 1056 B10R1.25 COC1=C(C=C(C=N1)Br)F B180531 [1,1,0,0,0,0|2,0,0]=4 1057 B10R1.25 COC1=C(C=C(C=N1)Br)I B479205 [1,1,0,0,0,0|2,0,0]=4 1058 B10R1.25 COC1=C(C=C(C=N1)Br)N B590515 [1,1,0,0,0,0|2,0,0]=4 1059 B10R1.25 COC1=C(C=C(C=N1)Cl)Br B165529 [1,1,0,0,0,0|2,0,0]=4 1060 B10R1.25 COC1=C(C=C(C=N1)F)Br B187647 [1,1,0,0,0,0|2,0,0]=4 1061 B10R1.25 COC1=C(C=C(C=N1)F)F D133212 [1,1,0,0,0,0|2,0,0]=4 1062 B10R1.25 COC1=C(C=C(C=N1)N)Br A185025 [1,1,0,0,0,0|2,0,0]=4 1063 B10R1.25 COC1=C(C=C(C=N1)N)Cl C191174 [1,1,0,0,0,0|2,0,0]=4 1064 B10R1.25 COC1=C(N=C(C=C1)Br)Br D590202 [1,1,0,0,0,0|2,0,0]=4 1065 B10R1.25 COC1=C(N=C(C=C1)I)Br B169549 [1,1,0,0,0,0|2,0,0]=4 1066 B10R1.25 COC1=C(N=C(C=C1)I)I D170361 [1,1,0,0,0,0|2,0,0]=4 1067 B10R1.25 COC1=CNC(=O)NC1=O D155137 [1,1,0,0,0,0|2,0,0]=4 1068 B10R1.176 C1=C(C=NC(=C1F)Br)C=O B586695 [1,1,0,0,0,0|2,0,0]=4 1069 B10R1.176 C1=CC(=C(C=C1C#N)Br)O B120887 [1,1,0,0,0,0|1,0,1]=4 1070 B10R1.176 C1=CC(=C(C=C1C#N)Cl)O C135594 [1,1,0,0,0,0|1,0,1]=4 1071 B10R1.176 C1=CC(=C(C=C1C#N)F)O F122744 [1,1,0,0,0,0|1,0,1]=4 1072 B10R1.176 C1=CC(=C(C=C1C#N)N)O A181547 [1,1,0,0,0,0|1,0,1]=4 1073 B10R1.176 C1=CC(=C(C=C1C#N)O)O D154618 [1,1,0,0,0,0|1,0,1]=4 1074 B10R1.176 C1=CC(=C(C=C1C=O)Br)Br D133582 [1,1,0,0,0,0|1,0,0]=3 1075 B10R1.176 C1=CC(=C(C=C1C=O)Br)Cl B590391 [1,1,0,0,0,0|1,0,0]=3 1076 B10R1.176 C1=CC(=C(C=C1C=O)Br)F B120677 [1,1,0,0,0,0|1,0,0]=3 1077 B10R1.176 C1=CC(=C(C=C1C=O)Br)O B102178 [1,1,0,0,0,0|0,0,0]=2 1078 B10R1.176 C1=CC(=C(C=C1C=O)Cl)Br B190026 [1,1,0,0,0,0|1,0,0]=3 1079 B10R1.176 C1=CC(=C(C=C1C=O)Cl)Cl D100689 [1,1,0,0,0,0|1,0,0]=3 1080 B10R1.176 C1=CC(=C(C=C1C=O)Cl)F C120608 [1,1,0,0,0,0|1,0,0]=3 1081 B10R1.176 C1=CC(=C(C=C1C=O)Cl)O C133077 [1,1,0,0,0,0|0,0,0]=2 1082 B10R1.176 C1=CC(=C(C=C1C=O)F)Br B120678 [1,1,0,0,0,0|1,0,0]=3 1083 B10R1.176 C1=CC(=C(C=C1C=O)F)Cl C120611 [1,1,0,0,0,0|1,0,0]=3 1084 B10R1.176 C1=CC(=C(C=C1C=O)F)F D120660 [1,1,0,0,0,0|1,0,0]=3 1085 B10R1.176 C1=CC(=C(C=C1C=O)F)O F124318 [1,1,0,0,0,0|0,0,0]=2 1086 B10R1.176 C1=CC(=C(C=C1C=O)I)O H194131 [1,1,0,0,0,0|0,0,0]=2 1087 B10R1.176 C1=CC(=C(C=C1C=O)O)O D108634 [1,1,0,0,0,0|0,0,0]=2 1088 B10R1.176 C1=CC(=C(C=C1C=O)O)O D108636 [1,1,0,0,0,0|0,0,0]=2 1089 B10R1.176 C1=CC(=C(C=C1C=O)O)O D130075 [1,1,0,0,0,0|0,0,0]=2 1090 B10R1.176 C1=CC(=C(C=C1CN)O)O D167718 [1,1,0,0,0,0|1,0,1]=4 1091 B10R1.176 C1=CC(=C(C=C1CO)Br)O B133783 [1,1,0,0,0,0|0,0,2]=4 1092 B10R1.176 C1=CC(=C(C=C1CO)O)O D155345 [1,1,0,0,0,0|0,0,2]=4 1093 B10R1.176 CC1=C(C=C(C=C1)C#N)Br B120889 [1,1,0,0,0,0|1,0,1]=4 1094 B10R1.176 CC1=C(C=C(C=C1)C#N)C D168795 [1,1,0,0,0,0|1,0,1]=4 1095 B10R1.176 CC1=C(C=C(C=C1)C#N)Cl W136125 [1,1,0,0,0,0|1,0,1]=4 1096 B10R1.176 CC1=C(C=C(C=C1)C#N)F F120484 [1,1,0,0,0,0|1,0,1]=4 1097 B10R1.176 CC1=C(C=C(C=C1)C#N)I I170326 [1,1,0,0,0,0|1,0,1]=4 1098 B10R1.176 CC1=C(C=C(C=C1)C#N)N A185526 [1,1,0,0,0,0|1,0,1]=4 1099 B10R1.176 CC1=C(C=C(C=C1)C#N)O H184166 [1,1,0,0,0,0|1,0,1]=4 1100 B10R1.176 CC1=C(C=C(C=C1)C=O)Br B153186 [1,1,0,0,0,0|0,0,0]=2 1101 B10R1.176 CC1=C(C=C(C=C1)C=O)C D123177 [1,1,0,0,0,0|0,0,0]=2 1102 B10R1.176 CC1=C(C=C(C=C1)C=O)Cl C124170 [1,1,0,0,0,0|0,0,0]=2 1103 B10R1.176 CC1=C(C=C(C=C1)C=O)F F124173 [1,1,0,0,0,0|0,0,0]=2 1104 B10R1.176 CC1=C(C=C(C=C1)CCl)C C189378 [1,1,0,0,0,0|1,0,1]=4 1105 B10R1.176 CC1=C(C=C(C=C1)CN)C D132092 [1,1,0,0,0,0|1,0,1]=4 1106 B10R1.176 CC1=C(C=C(C=C1)CO)C D331591 [1,1,0,0,0,0|0,0,2]=4 1107 B10R1.176 CC1=C(C=C(C=C1)CO)N A151061 [1,1,0,0,0,0|0,0,2]=4 1108 B10R1.176 CC1=C(C=C(C=C1)NN)C D101717 [1,1,0,0,0,0|2,0,0]=4 1109 B10R1.176 CC1=C(C=C(C=C1)NN)Cl C134208 [1,1,0,0,0,0|2,0,0]=4 1110 B10R1.176 CC1=C(C=C(C=C1)OC)Br B193028 [1,1,0,0,0,0|0,0,1]=3 1111 B10R1.176 CC1=C(C=C(C=C1)OC)C D170479 [1,1,0,0,0,0|0,0,1]=3 1112 B10R1.176 CC1=C(C=C(C=C1)OC)Cl C405497 [1,1,0,0,0,0|0,0,1]=3 1113 B10R1.176 CC1=C(C=C(C=C1)OC)F F193262 [1,1,0,0,0,0|0,0,1]=3 1114 B10R1.176 CC1=C(C=C(C=C1)OC)N W134180 [1,1,0,0,0,0|0,0,1]=3 1115 B10R1.176 CC1=C(C=CC(=C1)C=O)Br B186637 [1,1,0,0,0,0|1,0,0]=3 1116 B10R1.176 CC1=C(C=CC(=C1)C=O)Cl C353131 [1,1,0,0,0,0|1,0,0]=3 1117 B10R1.176 CC1=C(C=CC(=C1)C=O)F F120646 [1,1,0,0,0,0|1,0,0]=3 1118 B10R1.176 CC1=C(C=CC(=C1)C=O)O H124186 [1,1,0,0,0,0|0,0,0]=2 1119 B10R1.176 CC1=C(C=CC(=C1)OC)Br B115843 [1,1,0,0,0,0|1,0,0]=3 1120 B10R1.176 CC1=C(C=CC(=C1)OC)F W137121 [1,1,0,0,0,0|1,0,0]=3 1121 B10R1.176 CC1=C(C=CC(=C1)OC)N M124249 [1,1,0,0,0,0|1,0,0]=3 1122 B10R1.176 CC1=C(C=CC(=C1)OC)O H193776 [1,1,0,0,0,0|0,0,1]=3 1123 B10R1.176 CC1=C(C=CC(=N1)OC)Br B120739 [1,1,0,0,0,0|2,0,0]=4 1124 B10R1.176 CC1=C(C=CC(=N1)OC)N A184948 [1,1,0,0,0,0|2,0,0]=4 1125 B10R1.176 CC1=CC(=NC=C1Br)OC W131917 [1,1,0,0,0,0|2,0,0]=4 1126 B10R1.176 CC1=CC(=NC=C1N)OC A185897 [1,1,0,0,0,0|2,0,0]=4 1127 B10R1.176 CCC1=CC(=C(C=C1)O)Br B589769 [1,1,0,0,0,0|1,0,1]=4 1128 B10R1.176 CCC1=CC(=C(C=C1)O)O E165960 [1,1,0,0,0,0|1,0,1]=4 1129 B10R1.176 CNC1=CC(=C(C=C1)Cl)Cl D589045 [1,1,0,0,0,0|2,0,0]=4 1130 B10R1.176 COC1=CC(=C(C=C1)Br)Cl B184846 [1,1,0,0,0,0|1,0,0]=3 1131 B10R1.176 COC1=CC(=C(C=C1)Br)F B115514 [1,1,0,0,0,0|1,0,0]=3 1132 B10R1.176 COC1=CC(=C(C=C1)Br)I B589246 [1,1,0,0,0,0|1,0,0]=3 1133 B10R1.176 COC1=CC(=C(C=C1)Br)N B185457 [1,1,0,0,0,0|1,0,0]=3 1134 B10R1.176 COC1=CC(=C(C=C1)Br)O B185723 [1,1,0,0,0,0|1,0,0]=3 1135 B10R1.176 COC1=CC(=C(C=C1)Cl)Br B120329 [1,1,0,0,0,0|1,0,0]=3 1136 B10R1.176 COC1=CC(=C(C=C1)Cl)F C133728 [1,1,0,0,0,0|1,0,0]=3 1137 B10R1.176 COC1=CC(=C(C=C1)Cl)N C122489 [1,1,0,0,0,0|1,0,0]=3 1138 B10R1.176 COC1=CC(=C(C=C1)Cl)N C134554 [1,1,0,0,0,0|1,0,0]=3 1139 B10R1.176 COC1=CC(=C(C=C1)F)Br B576831 [1,1,0,0,0,0|1,0,0]=3 1140 B10R1.176 COC1=CC(=C(C=C1)F)Cl C132066 [1,1,0,0,0,0|1,0,0]=3 1141 B10R1.176 COC1=CC(=C(C=C1)F)F D155764 [1,1,0,0,0,0|1,0,0]=3 1142 B10R1.176 COC1=CC(=C(C=C1)I)Br B184649 [1,1,0,0,0,0|1,0,0]=3 1143 B10R1.176 COC1=CC(=C(C=C1)I)O I170223 [1,1,0,0,0,0|1,0,0]=3 1144 B10R1.176 COC1=CC(=C(C=C1)N)Cl C192569 [1,1,0,0,0,0|1,0,0]=3 1145 B10R1.176 COC1=CC(=C(C=C1)N)F F124247 [1,1,0,0,0,0|1,0,0]=3 1146 B10R1.176 COC1=CC(=C(C=C1)N)I I175362 [1,1,0,0,0,0|1,0,0]=3 1147 B10R1.176 COC1=CC(=C(C=C1)N)N D178847 [1,1,0,0,0,0|1,0,0]=3 1148 B10R1.176 COC1=CC(=C(C=C1)N)N M299127 [1,1,0,0,0,0|1,0,0]=3 1149 B10R1.176 COC1=CC(=C(C=C1)N)O H157084 [1,1,0,0,0,0|1,0,0]=3 1150 B10R1.176 COC1=CC(=C(C=C1)O)Br B122555 [1,1,0,0,0,0|0,0,1]=3 1151 B10R1.176 COC1=CC(=C(C=C1)O)Br B152684 [1,1,0,0,0,0|0,0,1]=3 1152 B10R1.176 COC1=CC(=C(C=C1)O)Cl C124268 [1,1,0,0,0,0|0,0,1]=3 1153 B10R1.176 COC1=CC(=C(C=C1)O)F F156740 [1,1,0,0,0,0|0,0,1]=3 1154 B10R1.176 COC1=CC(=C(C=C1)O)N A299108 [1,1,0,0,0,0|0,0,1]=3 1155 B10R1.176 COC1=NC(=C(C=C1)Br)Cl B186590 [1,1,0,0,0,0|2,0,0]=4 1156 B10R1.176 COC1=NC(=C(C=C1)Br)F B586697 [1,1,0,0,0,0|2,0,0]=4 1157 B10R1.176 COC1=NC(=C(C=C1)Br)N B193667 [1,1,0,0,0,0|2,0,0]=4 1158 B10R1.176 COC1=NC(=C(C=C1)Cl)N A590054 [1,1,0,0,0,0|2,0,0]=4 1159 B10R1.176 COC1=NC(=C(C=C1)N)Br A181285 [1,1,0,0,0,0|2,0,0]=4 1160 B10R1.176 COC1=NC(=C(C=C1)N)Cl A169728 [1,1,0,0,0,0|2,0,0]=4 1161 B10R1.176 COC1=NC=C(C(=C1)F)Br B578685 [1,1,0,0,0,0|2,0,0]=4 1162 B10R1.31 CN(C)C1=CC=C(S1)C=O D192265 [0,1,0,0,1,0|2,0,0]=4 1163 B10R1.96 COCC1=CC=C(O1)C=O M191811 [0,1,0,0,1,0|1,0,0]=3 1164 B12R1.5 C1=CC(=CC=C1C#N)C(=O)CBr B123239 [0,2,0,0,0,0|2,0,0]=4 1165 B12R1.5 C1=CC(=CC=C1C#N)C(=O)CCl C589048 [0,2,0,0,0,0|2,0,0]=4 1166 B12R1.5 CCC(=O)C1=CC=C(C=C1)OC M102228 [0,2,0,0,0,0|0,0,0]=2 1167 B12R1.5 CCC1=CC=C(C=C1)C(=O)CC E135751 [0,2,0,0,0,0|1,0,0]=3 1168 B12R1.5 CCC1=CC=C(C=C1)C(=O)NN E344439 [0,2,0,0,0,0|1,0,0]=3 1169 B12R1.5 CC[N+]1=CC=C(C=C1)C(=O)OC E156132 [0,2,0,0,0,0|2,0,0]=4 1170 B12R1.5 CN(C=O)C1=CC=C(C=C1)OC M158114 [0,2,0,0,0,0|0,0,0]=2 1171 B12R1.5 CNC(=O)C1=CC=C(C=C1)CN A483234 [0,2,0,0,0,0|2,0,0]=4 1172 B12R1.5 CNC(=O)C1=CC=C(C=C1)OC M192837 [0,2,0,0,0,0|0,0,0]=2 1173 B12R1.5 CNC1=CC=C(C=C1)C(=O)OC M168091 [0,2,0,0,0,0|1,0,0]=3 1174 B12R1.5 COC(=O)C1=CC=C(C=C1)C#C M138639 [0,2,0,0,0,0|1,0,1]=4 1175 B12R1.5 COC(=O)C1=CC=C(C=C1)C#N M158125 [0,2,0,0,0,0|1,0,1]=4 1176 B12R1.5 COC(=O)C1=CC=C(C=C1)C=C M123351 [0,2,0,0,0,0|1,0,0]=3 1177 B12R1.5 COC(=O)C1=CC=C(C=C1)C=O M157838 [0,2,0,0,0,0|0,0,0]=2 1178 B12R1.5 COC(=O)C1=CC=C(C=C1)CBr M123161 [0,2,0,0,0,0|1,0,1]=4 1179 B12R1.5 COC(=O)C1=CC=C(C=C1)CCl M135465 [0,2,0,0,0,0|1,0,1]=4 1180 B12R1.5 COC(=O)C1=CC=C(C=C1)CN M158180 [0,2,0,0,0,0|1,0,1]=4 1181 B12R1.5 COC(=O)C1=CC=C(C=C1)CO M158185 [0,2,0,0,0,0|0,0,2]=4 1182 B12R1.5 COC(=O)C1=CN=C(C=C1)C=O M178757 [0,2,0,0,0,0|1,0,0]=3 1183 B12R1.5 COC(=O)C1=NC=C(C=C1)C=O M491770 [0,2,0,0,0,0|1,0,0]=3 1184 B12R1.5 COC1=CC=C(C=C1)C(=NO)N N589395 [0,2,0,0,0,0|0,0,1]=3 1185 B12R1.5 COC1=CC=C(C=C1)C(=O)CBr B101897 [0,2,0,0,0,0|0,0,0]=2 1186 B12R1.5 COC1=CC=C(C=C1)C(=O)CCl M132969 [0,2,0,0,0,0|0,0,0]=2 1187 B12R1.5 COC1=CC=C(C=C1)C(=O)CN A134954 [0,2,0,0,0,0|0,0,0]=2 1188 B12R1.5 COC1=CC=C(C=C1)C(=O)NN M158283 [0,2,0,0,0,0|0,0,0]=2 1189 B12R1.5 COC1=CC=C(C=C1)C(=O)OC M117669 [0,2,0,0,0,0|0,0,0]=2 1190 B12R1.6 C1=CC(=CC=C1C=O)C(F)(F)F T106647 [0,2,0,0,0,0|2,0,0]=4 1191 B12R1.6 CC(C)(C)C1=CC=C(C=C1)C=C T161986 [0,2,0,0,0,0|2,0,0]=4 1192 B12R1.6 CC(C)(C)C1=CC=C(C=C1)C=O B100836 [0,2,0,0,0,0|1,0,0]=3 1193 B12R1.6 CC(C)(C)C1=CC=C(C=C1)C=O B399787 [0,2,0,0,0,0|1,0,0]=3 1194 B12R1.6 CC(C)(C)C1=CC=C(C=C1)OC T162716 [0,2,0,0,0,0|1,0,1]=4 1195 B12R1.6 CCC1=CC=C(C=C1)S(=O)(=O)Cl E156494 [0,2,0,0,0,0|2,0,0]=4 1196 B12R1.6 CCC1=CC=C(C=C1)S(=O)(=O)N E156419 [0,2,0,0,0,0|2,0,0]=4 1197 B12R1.6 CCC1=CC=C(C=C1)S(=O)(=O)O E301009 [0,2,0,0,0,0|2,0,0]=4 1198 B12R1.6 CCC1=CC=C(C=C1)S(=O)(=O)[O-] S161150 [0,2,0,0,0,0|2,0,0]=4 1199 B12R1.6 COC1=CC=C(C=C1)C(F)(F)F T193245 [0,2,0,0,0,0|1,0,1]=4 1200 B12R1.6 COC1=CC=C(C=C1)S(=O)(=O)Cl M106423 [0,2,0,0,0,0|1,0,0]=3 1201 B12R1.6 COC1=CC=C(C=C1)S(=O)(=O)N M165982 [0,2,0,0,0,0|1,0,0]=3 1202 B12R1.6 CS(=O)(=O)C1=CC=C(C=C1)C=O M185093 [0,2,0,0,0,0|0,1,0]=3 1203 B12R1.6 C[Si](C)(C)C1=CC=C(C=C1)C=C T405115 [0,2,0,0,0,0|2,0,0]=4 1204 B12R1.6 [B-](C1=CC=C(C=C1)C=O)(F)(F)F P137584 [0,2,0,0,0,0|2,0,0]=4 1205 B12R1.6 [B-](C1=CC=C(C=C1)OC)(F)(F)F P160812 [0,2,0,0,0,0|2,0,0]=4 1206 B12R1.48 B(C1=CC(=C(C=C1)C=O)Cl)(O)O C179237 [0,2,0,0,0,0|2,0,0]=4 1207 B12R1.48 B(C1=CC(=C(C=C1)C=O)F)(O)O F104099 [0,2,0,0,0,0|2,0,0]=4 1208 B12R1.48 B(C1=CC(=C(C=C1)OC)C)(O)O M138383 [0,2,0,0,0,0|1,0,1]=4 1209 B12R1.48 B(C1=CC(=C(C=C1)OC)Cl)(O)O C104324 [0,2,0,0,0,0|1,0,1]=4 1210 B12R1.48 B(C1=CC(=C(C=C1)OC)F)(O)O F120101 [0,2,0,0,0,0|1,0,1]=4 1211 B12R1.48 C1=CC(=C(C=C1C(=O)O)Br)C=O B195839 [0,2,0,0,0,0|2,0,0]=4 1212 B12R1.48 C1=CC(=C(C=C1C(=O)O)F)C#N W132802 [0,2,0,0,0,0|2,0,0]=4 1213 B12R1.48 C1=CC(=C(C=C1C(=O)O)O)C=O F135039 [0,2,0,0,0,0|2,0,0]=4 1214 B12R1.48 C1=CC(=C(C=C1[N+](=O)[O-])F)C=O F140240 [0,2,0,0,0,0|2,0,0]=4 1215 B12R1.48 CC(=O)C1=CC(=C(C=C1)C#N)F A588129 [0,2,0,0,0,0|2,0,0]=4 1216 B12R1.48 CC(=O)C1=CC(=C(C=C1)OC)Br B192945 [0,2,0,0,0,0|0,0,0]=2 1217 B12R1.48 CC(=O)C1=CC(=C(C=C1)OC)Cl C154061 [0,2,0,0,0,0|0,0,0]=2 1218 B12R1.48 CC(=O)C1=CC(=C(C=C1)OC)F F123262 [0,2,0,0,0,0|0,0,0]=2 1219 B12R1.48 CC(=O)C1=CC(=C(C=C1)OC)O H139073 [0,2,0,0,0,0|0,0,0]=2 1220 B12R1.48 CC(C1=CC(=C(C=C1)OC)Br)O B330553 [0,2,0,0,0,0|0,0,2]=4 1221 B12R1.48 CC(C1=CC(=C(C=C1)OC)F)O F357165 [0,2,0,0,0,0|0,0,2]=4 1222 B12R1.48 CC1=C(C=CC(=C1)C(=O)O)C#N C194823 [0,2,0,0,0,0|2,0,0]=4 1223 B12R1.48 CC1=C(C=CC(=C1)C(=O)O)OC M158249 [0,2,0,0,0,0|0,0,0]=2 1224 B12R1.48 CC1=C(C=CC(=C1)[N+](=O)[O-])NC N159393 [0,2,0,0,0,0|2,0,0]=4 1225 B12R1.48 CC1=C(C=CC(=C1)[N+](=O)[O-])OC M134178 [0,2,0,0,0,0|1,0,0]=3 1226 B12R1.48 CC1=CC(=CN=C1OC)[N+](=O)[O-] M195674 [0,2,0,0,0,0|2,0,0]=4 1227 B12R1.48 CCC1=C(C=C(C=C1)[N+](=O)[O-])N E131834 [0,2,0,0,0,0|2,0,0]=4 1228 B12R1.48 CN(C)C1=CC(=C(C=C1)C=O)Cl C154094 [0,2,0,0,0,0|1,0,0]=3 1229 B12R1.48 CNC1=C(C=C(C=C1)[N+](=O)[O-])N N158885 [0,2,0,0,0,0|2,0,0]=4 1230 B12R1.48 COC1=C(C=C(C=C1)C(=O)Cl)F F124505 [0,2,0,0,0,0|0,0,0]=2 1231 B12R1.48 COC1=C(C=C(C=C1)C(=O)N)N A151420 [0,2,0,0,0,0|0,0,0]=2 1232 B12R1.48 COC1=C(C=C(C=C1)C(=O)O)Br B151835 [0,2,0,0,0,0|0,0,0]=2 1233 B12R1.48 COC1=C(C=C(C=C1)C(=O)O)Cl C136170 [0,2,0,0,0,0|0,0,0]=2 1234 B12R1.48 COC1=C(C=C(C=C1)C(=O)O)F F121780 [0,2,0,0,0,0|0,0,0]=2 1235 B12R1.48 COC1=C(C=C(C=C1)C(=O)O)I I157660 [0,2,0,0,0,0|0,0,0]=2 1236 B12R1.48 COC1=C(C=C(C=C1)C(=O)O)N A113935 [0,2,0,0,0,0|0,0,0]=2 1237 B12R1.48 COC1=C(C=C(C=C1)C(=O)O)O I113428 [0,2,0,0,0,0|0,0,0]=2 1238 B12R1.48 COC1=C(C=C(C=C1)[N+](=O)[O-])Br B153121 [0,2,0,0,0,0|1,0,0]=3 1239 B12R1.48 COC1=C(C=C(C=C1)[N+](=O)[O-])Cl C153293 [0,2,0,0,0,0|1,0,0]=3 1240 B12R1.48 COC1=C(C=C(C=C1)[N+](=O)[O-])F F122599 [0,2,0,0,0,0|1,0,0]=3 1241 B12R1.48 COC1=C(C=C(C=C1)[N+](=O)[O-])O M100616 [0,2,0,0,0,0|1,0,0]=3 1242 B12R1.48 COC1=C(C=C(C=C1)[N+](=O)[O-])[O-] N159808 [0,2,0,0,0,0|1,0,0]=3 1243 B12R1.48 COC1=C(C=C(C=N1)C(=O)O)Br B189935 [0,2,0,0,0,0|1,0,0]=3 1244 B12R1.48 COC1=C(C=C(C=N1)[N+](=O)[O-])Br B181813 [0,2,0,0,0,0|2,0,0]=4 1245 B12R1.48 COC1=C(N=C(C=C1)C(=O)O)Br B492065 [0,2,0,0,0,0|1,0,0]=3 1246 B12R1.113 B(C1=CC=C(C=C1)COC)(O)O M183389 [0,2,0,0,0,0|1,0,1]=4 1247 B12R1.113 B(C1=CC=C(C=C1)OCC)(O)O E103207 [0,2,0,0,0,0|1,0,1]=4 1248 B12R1.113 C1=CC(=CC=C1C(=O)O)N=C=S C349354 [0,2,0,0,0,0|1,0,1]=4 1249 B12R1.113 C1=CC(=CC=C1C(=O)O)N=[N+]=[N-] A136691 [0,2,0,0,0,0|2,0,0]=4 1250 B12R1.113 C1=CC(=CC=C1CC#N)C(=O)O C184848 [0,2,0,0,0,0|1,0,1]=4 1251 B12R1.113 C1=CC(=CC=C1CCBr)C(=O)O B123906 [0,2,0,0,0,0|1,0,0]=3 1252 B12R1.113 C1=CC(=CC=C1CCBr)[N+](=O)[O-] N135173 [0,2,0,0,0,0|2,0,0]=4 1253 B12R1.113 C1=CC(=CC=C1CCN)[N+](=O)[O-] N140205 [0,2,0,0,0,0|2,0,0]=4 1254 B12R1.113 C1=CC(=CC=C1CCN)[N+](=O)[O-] N192298 [0,2,0,0,0,0|2,0,0]=4 1255 B12R1.113 C1=CC(=CC=C1CCN)[N+](=O)[O-] N304417 [0,2,0,0,0,0|2,0,0]=4 1256 B12R1.113 C1=CC(=CC=C1CCO)[N+](=O)[O-] N159739 [0,2,0,0,0,0|2,0,0]=4 1257 B12R1.113 C1=CC(=CC=C1CON)[N+](=O)[O-] O133067 [0,2,0,0,0,0|2,0,0]=4 1258 B12R1.113 CC(=O)C1=CC=C(C=C1)N=C=O A170590 [0,2,0,0,0,0|1,0,1]=4 1259 B12R1.113 CC(=O)C1=CC=C(C=C1)N=C=S A140590 [0,2,0,0,0,0|1,0,1]=4 1260 B12R1.113 CC(C)C1=CC=C(C=C1)N=C=O I103626 [0,2,0,0,0,0|1,0,1]=4 1261 B12R1.113 CCCC1=CC=C(C=C1)C(=O)C P138618 [0,2,0,0,0,0|1,0,0]=3 1262 B12R1.113 CCCC1=CC=C(C=C1)C(=O)Cl P133875 [0,2,0,0,0,0|1,0,0]=3 1263 B12R1.113 CCCC1=CC=C(C=C1)C(=O)O P160279 [0,2,0,0,0,0|1,0,0]=3 1264 B12R1.113 CCNC1=CC=C(C=C1)C(=O)O E331267 [0,2,0,0,0,0|1,0,0]=3 1265 B12R1.113 CCNC1=CC=C(C=C1)[N+](=O)[O-] N169939 [0,2,0,0,0,0|2,0,0]=4 1266 B12R1.113 CCOC1=CC=C(C=C1)C(=O)C E103881 [0,2,0,0,0,0|0,0,0]=2 1267 B12R1.113 CCOC1=CC=C(C=C1)C(=O)Cl E131914 [0,2,0,0,0,0|0,0,0]=2 1268 B12R1.113 CCOC1=CC=C(C=C1)C(=O)O E113366 [0,2,0,0,0,0|0,0,0]=2 1269 B12R1.113 CCOC1=CC=C(C=C1)[N+](=O)[O-] N159806 [0,2,0,0,0,0|1,0,0]=3 1270 B12R1.113 CCOC1=NC=C(C=C1)C(=O)O E349238 [0,2,0,0,0,0|1,0,0]=3 1271 B12R1.113 CCOC1=NC=C(C=C1)[N+](=O)[O-] E136225 [0,2,0,0,0,0|2,0,0]=4 1272 B12R1.113 CCSC1=CC=C(C=C1)C(=O)O E166949 [0,2,0,0,0,0|0,1,0]=3 1273 B12R1.113 CN(C)C1=CC=C(C=C1)N=C=O D299974 [0,2,0,0,0,0|1,0,1]=4 1274 B12R1.113 CNCC1=CC=C(C=C1)[N+](=O)[O-] M182459 [0,2,0,0,0,0|2,0,0]=4 1275 B12R1.256 B(C1=CC=C(C=C1)C(=O)C)(O)O A100554 [0,2,0,0,0,0|2,0,0]=4 1276 B12R1.256 B(C1=CC=C(C=C1)C(=O)Cl)(O)O C303460 [0,2,0,0,0,0|2,0,0]=4 1277 B12R1.256 B(C1=CC=C(C=C1)C(=O)N)(O)O A101991 [0,2,0,0,0,0|2,0,0]=4 1278 B12R1.256 B(C1=CC=C(C=C1)C(=O)O)(O)O C101099 [0,2,0,0,0,0|2,0,0]=4 1279 B12R1.256 C1=CC(=CC=C1C(=N)N)C(=O)N A151415 [0,2,0,0,0,0|2,0,0]=4 1280 B12R1.256 C1=CC(=CC=C1C(=O)Cl)C(=O)Cl P108667 [0,2,0,0,0,0|2,0,0]=4 1281 B12R1.256 C1=CC(=CC=C1C(=O)Cl)C(=O)Cl P108668 [0,2,0,0,0,0|2,0,0]=4 1282 B12R1.256 C1=CC(=CC=C1C(=O)Cl)[N+](=O)[O-] N106144 [0,2,0,0,0,0|2,0,0]=4 1283 B12R1.256 C1=CC(=CC=C1C(=O)Cl)[N+](=O)[O-] N106145 [0,2,0,0,0,0|2,0,0]=4 1284 B12R1.256 C1=CC(=CC=C1C(=O)N)C(=O)N T162236 [0,2,0,0,0,0|2,0,0]=4 1285 B12R1.256 C1=CC(=CC=C1C(=O)N)C(=O)O T162190 [0,2,0,0,0,0|2,0,0]=4 1286 B12R1.256 C1=CC(=CC=C1C(=O)N)[N+](=O)[O-] N108472 [0,2,0,0,0,0|2,0,0]=4 1287 B12R1.256 C1=CC(=CC=C1C(=O)O)C(=O)O P108506 [0,2,0,0,0,0|2,0,0]=4 1288 B12R1.256 C1=CC(=CC=C1C(=O)O)C(=O)O P303203 [0,2,0,0,0,0|2,0,0]=4 1289 B12R1.256 C1=CC(=CC=C1C(=O)O)C(=O)O P303204 [0,2,0,0,0,0|2,0,0]=4 1290 B12R1.256 C1=CC(=CC=C1C(=O)O)C(=O)O P420255 [0,2,0,0,0,0|2,0,0]=4 1291 B12R1.256 C1=CC(=CC=C1C(=O)O)[N+](=O)[O-] N104356 [0,2,0,0,0,0|2,0,0]=4 1292 B12R1.256 C1=CC(=CC=C1C(=O)O)[N+](=O)[O-] N104357 [0,2,0,0,0,0|2,0,0]=4 1293 B12R1.256 C1=CC(=CC=C1C(=O)O)[N+](=O)[O-] N119544 [0,2,0,0,0,0|2,0,0]=4 1294 B12R1.256 C1=CC(=CC=C1C(=O)O)[N+](=O)[O-] N305342 [0,2,0,0,0,0|2,0,0]=4 1295 B12R1.256 C1=CC(=CC=C1C(=O)O)[N+](=O)[O-] N433134 [0,2,0,0,0,0|2,0,0]=4 1296 B12R1.256 C1=CC(=CC=C1C(=O)[O-])C(=O)[O-] D154279 [0,2,0,0,0,0|2,0,0]=4 1297 B12R1.256 C1=CC(=CC=C1C(=O)[O-])C(=O)[O-] Z282600 [0,2,0,0,0,0|2,0,0]=4 1298 B12R1.256 C1=CC(=CC=C1C(=O)[O-])[N+](=O)[O-] N159060 [0,2,0,0,0,0|2,0,0]=4 1299 B12R1.256 CC(=C)C1=CC=C(C=C1)C(=C)C D155466 [0,2,0,0,0,0|2,0,0]=4 1300 B12R1.256 CC(=O)C1=CC=C(C=C1)C(=O)C D154226 [0,2,0,0,0,0|1,0,0]=3 1301 B12R1.256 CC(=O)C1=CC=C(C=C1)C(=O)Cl A301460 [0,2,0,0,0,0|1,0,0]=3 1302 B12R1.256 CC(=O)C1=CC=C(C=C1)C(=O)O A151401 [0,2,0,0,0,0|1,0,0]=3 1303 B12R1.256 CC(=O)C1=CC=C(C=C1)N(C)C D123258 [0,2,0,0,0,0|1,0,0]=3 1304 B12R1.256 CC(=O)C1=CC=C(C=C1)[N+](=O)[O-] N105745 [0,2,0,0,0,0|2,0,0]=4 1305 B12R1.256 CC(C)C1=CC=C(C=C1)C(=O)C I121833 [0,2,0,0,0,0|1,0,0]=3 1306 B12R1.256 CC(C)C1=CC=C(C=C1)C(=O)O I107765 [0,2,0,0,0,0|1,0,0]=3 1307 B12R1.256 CC(C)C1=CC=C(C=C1)[N+](=O)[O-] N159730 [0,2,0,0,0,0|2,0,0]=4 1308 B12R1.256 CC(C1=CC=C(C=C1)[N+](=O)[O-])Br B587970 [0,2,0,0,0,0|2,0,0]=4 1309 B12R1.256 CC(C1=CC=C(C=C1)[N+](=O)[O-])N R194003 [0,2,0,0,0,0|2,0,0]=4 1310 B12R1.256 CC(C1=CC=C(C=C1)[N+](=O)[O-])N S161220 [0,2,0,0,0,0|2,0,0]=4 1311 B12R1.256 CC(C1=CC=C(C=C1)[N+](=O)[O-])O N589797 [0,2,0,0,0,0|2,0,0]=4 1312 B12R1.256 CN(C)C1=CC=C(C=C1)C(=O)O D155093 [0,2,0,0,0,0|1,0,0]=3 1313 B12R1.256 CN(C)C1=CC=C(C=C1)[N+](=O)[O-] N159863 [0,2,0,0,0,0|2,0,0]=4 1314 B12R1.452 B(C1=C(C=C(C=C1)C=O)C)(O)O F181767 [0,2,0,0,0,0|2,0,0]=4 1315 B12R1.452 B(C1=C(C=C(C=C1)C=O)Cl)(O)O C586289 [0,2,0,0,0,0|2,0,0]=4 1316 B12R1.452 B(C1=C(C=C(C=C1)C=O)F)(O)O F139365 [0,2,0,0,0,0|2,0,0]=4 1317 B12R1.452 B(C1=C(C=C(C=C1)OC)C)(O)O M102154 [0,2,0,0,0,0|1,0,1]=4 1318 B12R1.452 B(C1=C(C=C(C=C1)OC)Cl)(O)O C102575 [0,2,0,0,0,0|1,0,1]=4 1319 B12R1.452 B(C1=C(C=C(C=C1)OC)F)(O)O F120093 [0,2,0,0,0,0|1,0,1]=4 1320 B12R1.452 C1=CC(=C(C=C1C#N)F)C(=O)O C111119 [0,2,0,0,0,0|2,0,0]=4 1321 B12R1.452 C1=CC(=C(C=C1C=O)F)[N+](=O)[O-] F156578 [0,2,0,0,0,0|2,0,0]=4 1322 B12R1.452 C1=CC(=C(C=C1C=O)O)[N+](=O)[O-] H137340 [0,2,0,0,0,0|2,0,0]=4 1323 B12R1.452 C1=CC(=C(C=C1CO)F)C(=O)O F168590 [0,2,0,0,0,0|2,0,0]=4 1324 B12R1.452 CC(=O)C1=C(C=C(C=C1)OC)F F123261 [0,2,0,0,0,0|0,0,0]=2 1325 B12R1.452 CC(=O)C1=C(C=C(C=C1)OC)N A303698 [0,2,0,0,0,0|0,0,0]=2 1326 B12R1.452 CC(=O)C1=C(C=C(C=C1)OC)O H111081 [0,2,0,0,0,0|0,0,0]=2 1327 B12R1.452 CC(=O)C1=C(C=C(C=C1)OC)O H111082 [0,2,0,0,0,0|0,0,0]=2 1328 B12R1.452 CC1=C(C=CC(=C1)C#N)C(=O)O C587953 [0,2,0,0,0,0|2,0,0]=4 1329 B12R1.452 CC1=C(C=CC(=C1)OC)C(=O)O W137647 [0,2,0,0,0,0|0,0,0]=2 1330 B12R1.452 CC1=C(C=CC(=C1)OC)[N+](=O)[O-] M122605 [0,2,0,0,0,0|1,0,0]=3 1331 B12R1.452 CC1=C(C=CC(=N1)OC)[N+](=O)[O-] M185136 [0,2,0,0,0,0|2,0,0]=4 1332 B12R1.452 CC1=CC(=NC=C1[N+](=O)[O-])OC M121805 [0,2,0,0,0,0|2,0,0]=4 1333 B12R1.452 COC1=CC(=C(C=C1)C(=O)N)O M140197 [0,2,0,0,0,0|0,0,0]=2 1334 B12R1.452 COC1=CC(=C(C=C1)C(=O)O)Br B186370 [0,2,0,0,0,0|0,0,0]=2 1335 B12R1.452 COC1=CC(=C(C=C1)C(=O)O)Cl C123875 [0,2,0,0,0,0|0,0,0]=2 1336 B12R1.452 COC1=CC(=C(C=C1)C(=O)O)F F124306 [0,2,0,0,0,0|0,0,0]=2 1337 B12R1.452 COC1=CC(=C(C=C1)C(=O)O)I I589429 [0,2,0,0,0,0|0,0,0]=2 1338 B12R1.452 COC1=CC(=C(C=C1)C(=O)O)N A123844 [0,2,0,0,0,0|0,0,0]=2 1339 B12R1.452 COC1=CC(=C(C=C1)C(=O)O)O M158290 [0,2,0,0,0,0|0,0,0]=2 1340 B12R1.452 COC1=CC(=C(C=C1)C(C)=O)O P407787 [0,2,0,0,0,0|0,0,0]=2 1341 B12R1.452 COC1=CC(=C(C=C1)[N+](=O)[O-])Br B196145 [0,2,0,0,0,0|1,0,0]=3 1342 B12R1.452 COC1=CC(=C(C=C1)[N+](=O)[O-])F F184588 [0,2,0,0,0,0|1,0,0]=3 1343 B12R1.452 COC1=CC(=C(C=C1)[N+](=O)[O-])N M121857 [0,2,0,0,0,0|1,0,0]=3 1344 B12R1.452 COC1=CC=C(C(=O)N1)[N+](=O)[O-] M490125 [0,2,0,0,0,0|2,0,0]=4 1345 B12R1.452 COC1=NC(=C(C=C1)C(=O)O)Cl C170633 [0,2,0,0,0,0|1,0,0]=3 1346 B12R1.452 COC1=NC(=C(C=C1)[N+](=O)[O-])Br B192865 [0,2,0,0,0,0|2,0,0]=4 1347 B12R1.452 COC1=NC(=C(C=C1)[N+](=O)[O-])Cl C123448 [0,2,0,0,0,0|2,0,0]=4 1348 B12R1.452 COC1=NC(=C(C=C1)[N+](=O)[O-])N A135680 [0,2,0,0,0,0|2,0,0]=4 1349 B12R1.4 C1=CC(=CC=C1C#N)OC(F)F D154689 [0,2,0,0,0,0|1,0,1]=4 1350 B12R1.4 C1=CC(=CC=C1C=O)OC(F)F D124182 [0,2,0,0,0,0|0,0,0]=2 1351 B12R1.4 C1=CC(=CC=C1CBr)OC(F)F D404174 [0,2,0,0,0,0|1,0,1]=4 1352 B12R1.4 C1=CC(=CC=C1CC(=O)O)C#N C170916 [0,2,0,0,0,0|2,0,0]=4 1353 B12R1.4 C1=CC(=CC=C1CC(=O)O)CBr B138187 [0,2,0,0,0,0|2,0,0]=4 1354 B12R1.4 C1=CC(=CC=C1CC(=O)O)CO H157341 [0,2,0,0,0,0|2,0,0]=4 1355 B12R1.4 C1=CC(=CC=C1CCl)OC(F)F C358331 [0,2,0,0,0,0|1,0,1]=4 1356 B12R1.4 C1=CC(=CC=C1CO)OC(F)F D132020 [0,2,0,0,0,0|0,0,2]=4 1357 B12R1.4 CC(=O)CC1=CC=C(C=C1)OC P102234 [0,2,0,0,0,0|0,0,0]=2 1358 B12R1.4 CC(=O)NC1=CC=C(C=C1)C=O A151024 [0,2,0,0,0,0|1,0,0]=3 1359 B12R1.4 CC(=O)NC1=CC=C(C=C1)CO A346516 [0,2,0,0,0,0|2,0,0]=4 1360 B12R1.4 CC(=O)NC1=CC=C(C=C1)OC P160200 [0,2,0,0,0,0|0,0,0]=2 1361 B12R1.4 CC(=O)OC1=CC=C(C=C1)C=C V107256 [0,2,0,0,0,0|1,0,0]=3 1362 B12R1.4 CC(=O)OC1=CC=C(C=C1)C=O A151684 [0,2,0,0,0,0|0,0,0]=2 1363 B12R1.4 CC(=O)OC1=CC=C(C=C1)CCl C472438 [0,2,0,0,0,0|1,0,1]=4 1364 B12R1.4 CC(C)CC1=CC=C(C=C1)C=O I157425 [0,2,0,0,0,0|1,0,0]=3 1365 B12R1.4 CC(C)OC1=CC=C(C=C1)C=O I123152 [0,2,0,0,0,0|0,0,0]=2 1366 B12R1.4 COC1=CC=C(C=C1)CC(=O)Cl M163057 [0,2,0,0,0,0|0,0,0]=2 1367 B12R1.4 COC1=CC=C(C=C1)CC(=O)O S115483 [0,2,0,0,0,0|0,0,0]=2 1368 B12R1.4 COC1=CC=C(C=C1)NC(=O)N M158159 [0,2,0,0,0,0|0,0,0]=2 1369 B12R1.4 COC1=CC=C(C=C1)NC(=S)N M158403 [0,2,0,0,0,0|0,1,0]=3 1370 B12R1.4 COC1=CC=C(C=C1)OC(=O)Cl M472627 [0,2,0,0,0,0|0,0,0]=2 1371 B12R1.4 CSC1=CC=C(C=C1)CC(=O)O M101855 [0,2,0,0,0,0|0,1,0]=3 1372 B12R1.71 C#CCOC1=CC=C(C=C1)C=O P160757 [0,2,0,0,0,0|0,0,0]=2 1373 B12R1.71 C1=CC(=CC=C1C=O)OCCCl C338931 [0,2,0,0,0,0|0,0,0]=2 1374 B12R1.71 C1=CC(=CC=C1C=O)OCCO H157342 [0,2,0,0,0,0|0,0,0]=2 1375 B12R1.71 C=CCOC1=CC=C(C=C1)C=O A353132 [0,2,0,0,0,0|0,0,0]=2 1376 B12R1.71 CCCCC1=CC=C(C=C1)C=O B151931 [0,2,0,0,0,0|1,0,0]=3 1377 B12R1.71 CCCOC1=CC=C(C=C1)C=O P160153 [0,2,0,0,0,0|0,0,0]=2 1378 B12R1.71 CNCCC1=CC=C(C=C1)OC N159070 [0,2,0,0,0,0|1,0,1]=4 1379 B12R1.71 COC1=CC=C(C=C1)C=CC#N M158789 [0,2,0,0,0,0|1,0,0]=3 1380 B12R1.71 COC1=CC=C(C=C1)C=CC=O T135720 [0,2,0,0,0,0|0,0,0]=2 1381 B12R1.71 COC1=CC=C(C=C1)CCC#N M300601 [0,2,0,0,0,0|1,0,1]=4 1382 B12R1.71 COC1=CC=C(C=C1)CCC=O M122414 [0,2,0,0,0,0|0,0,0]=2 1383 B12R1.71 COC1=CC=C(C=C1)CCCBr B341751 [0,2,0,0,0,0|1,0,1]=4 1384 B12R1.71 COC1=CC=C(C=C1)CCCO M134198 [0,2,0,0,0,0|0,0,2]=4 1385 B12R1.71 COC1=CC=C(C=C1)CN=C=O M171017 [0,2,0,0,0,0|0,0,1]=3 1386 B12R1.71 COC1=CC=C(C=C1)CN=C=S M189125 [0,2,0,0,0,0|0,1,1]=4 1387 B12R1.71 COC1=CC=C(C=C1)COC=O A302664 [0,2,0,0,0,0|0,0,0]=2 1388 B12R1.71 COC1=CC=C(C=C1)OCC#N M420004 [0,2,0,0,0,0|1,0,1]=4 1389 B12R1.71 COC1=CC=C(C=C1)OCCN M589303 [0,2,0,0,0,0|1,0,1]=4 1390 B12R1.114 CC1=C(C=CC(=C1)OC)CC#N M192401 [0,2,0,0,0,0|1,0,1]=4 1391 B12R1.114 CC1=C(C=CC(=C1)OC)N=C=S B301234 [0,2,0,0,0,0|0,1,1]=4 1392 B12R1.114 CCOC1=C(C=C(C=C1)C=O)Br B153187 [0,2,0,0,0,0|0,0,0]=2 1393 B12R1.114 CCOC1=C(C=C(C=C1)CO)Cl C479728 [0,2,0,0,0,0|0,0,2]=4 1394 B12R1.116 CCOC1=CC=C(C=C1)N=C=S E300790 [0,2,0,0,0,0|0,1,1]=4 1395 B12R1.116 CCOC1=CC=C(C=C1)OCC D155736 [0,2,0,0,0,0|1,0,1]=4 1396 B12R1.116 COCC1=CC=C(C=C1)COC B153001 [0,2,0,0,0,0|0,0,2]=4 1397 B12R1.288 COC1=C(C=C(C=C1)CC#N)Br B151987 [0,2,0,0,0,0|1,0,1]=4 1398 B12R1.288 COC1=C(C=C(C=C1)CC#N)F F303668 [0,2,0,0,0,0|1,0,1]=4 1399 B12R1.288 COC1=C(C=C(C=C1)CCN)O H185776 [0,2,0,0,0,0|1,0,1]=4 1400 B12R1.288 COC1=C(C=C(C=C1)N=C=O)Cl C352472 [0,2,0,0,0,0|0,0,1]=3 1401 B12R1.78 CCC1=CC(=C(C=C1)OC)OC E194090 [0,2,0,0,0,0|1,0,1]=4 1402 B12R1.78 COC1=C(C=C(C=C1)C#C)OC D589107 [0,2,0,0,0,0|1,0,1]=4 1403 B12R1.78 COC1=C(C=C(C=C1)C#N)C=O C468957 [0,2,0,0,0,0|1,0,1]=4 1404 B12R1.78 COC1=C(C=C(C=C1)C#N)OC D134348 [0,2,0,0,0,0|1,0,1]=4 1405 B12R1.78 COC1=C(C=C(C=C1)C=C)OC D134400 [0,2,0,0,0,0|1,0,0]=3 1406 B12R1.78 COC1=C(C=C(C=C1)C=O)OC D108637 [0,2,0,0,0,0|0,0,0]=2 1407 B12R1.78 COC1=C(C=C(C=C1)CCl)OC D186293 [0,2,0,0,0,0|1,0,1]=4 1408 B12R1.78 COC1=C(C=C(C=C1)CN)OC D113397 [0,2,0,0,0,0|1,0,1]=4 1409 B12R1.78 COC1=C(C=C(C=C1)CO)OC V162979 [0,2,0,0,0,0|0,0,2]=4 1410 B12R1.78 COC1=C(C=C(C=C1)CO)OC V426970 [0,2,0,0,0,0|0,0,2]=4 1411 B12R1.78 COC1=C(N=C(C=C1)C=O)OC D165700 [0,2,0,0,0,0|1,0,0]=3 1412 B12R1.78 COC1=CC(=C(C=C1)C#N)OC D154447 [0,2,0,0,0,0|1,0,1]=4 1413 B12R1.78 COC1=CC(=C(C=C1)C=O)OC D155985 [0,2,0,0,0,0|0,0,0]=2 1414 B12R1.78 COC1=CC(=C(C=C1)CN)OC D123129 [0,2,0,0,0,0|1,0,1]=4 1415 B12R1.78 COC1=CC(=C(C=C1)CN)OC D168489 [0,2,0,0,0,0|1,0,1]=4 1416 B12R1.78 COC1=CC(=C(C=C1)CO)OC D134007 [0,2,0,0,0,0|0,0,2]=4 1417 B12R1.78 COC1=CC(=C(C=C1)OC)C#N D154453 [0,2,0,0,0,0|2,0,0]=4 1418 B12R1.78 COC1=CC(=C(C=C1)OC)C=O D111319 [0,2,0,0,0,0|2,0,0]=4 1419 B12R1.78 COC1=CC(=C(C=C1)OC)OC T107287 [0,2,0,0,0,0|2,0,0]=4 1420 B12R1.78 COC1=NC(=C(C=C1)C=O)OC D185402 [0,2,0,0,0,0|1,0,0]=3 1421 B12R1.78 COC1=NC(=NC=C1C=O)OC F356120 [0,2,0,0,0,0|2,0,0]=4 1422 B12R1.301 C1=C(C=C(C(=C1F)C#N)F)C=O D184534 [0,2,0,0,0,0|2,0,0]=4 1423 B12R1.301 C1=C(C=C(C(=C1F)C=O)F)C#N D122615 [0,2,0,0,0,0|2,0,0]=4 1424 B12R1.301 CC1=CC(=CC(=C1OC)C)C#N D167492 [0,2,0,0,0,0|1,0,1]=4 1425 B12R1.301 CC1=CC(=CC(=C1OC)C)C=O D193171 [0,2,0,0,0,0|0,0,0]=2 1426 B12R1.301 COC1=C(C=C(C=C1Br)C#N)Br B355771 [0,2,0,0,0,0|1,0,1]=4 1427 B12R1.301 COC1=CC(=C(C(=C1)F)C#N)F D122742 [0,2,0,0,0,0|1,0,1]=4 1428 B12R1.301 COC1=CC(=C(C(=C1)F)C=O)F D124141 [0,2,0,0,0,0|0,0,0]=2 1429 B12R1.450 C1=C(C(=CC(=C1Br)C=O)Br)C=O B300431 [0,2,0,0,0,0|2,0,0]=4 1430 B12R1.450 C1=C(C(=CC(=C1Cl)C=O)Cl)C=O B300262 [0,2,0,0,0,0|2,0,0]=4 1431 B12R1.450 C1=C(C(=CC(=C1O)C=O)O)C=O B300119 [0,2,0,0,0,0|2,0,0]=4 1432 B12R1.450 CC1=CC(=C(C=C1C=O)C)C=O D304447 [0,2,0,0,0,0|2,0,0]=4 1433 B12R1.450 CC1=CC(=C(C=C1OC)C)C=O D124188 [0,2,0,0,0,0|0,0,0]=2 1434 B12R1.450 COC1=C(C=C(C(=C1)Br)C=O)O B123039 [0,2,0,0,0,0|0,0,0]=2 1435 B12R1.450 COC1=C(C=C(C(=C1)F)C#N)F D578705 [0,2,0,0,0,0|1,0,1]=4 1436 B12R1.450 COC1=C(C=C(C(=C1)F)C=O)F D124139 [0,2,0,0,0,0|0,0,0]=2 1437 B12R1.450 COC1=CC(=C(C=C1Br)OC)Br D124290 [0,2,0,0,0,0|2,0,0]=4 1438 B12R1.450 COC1=CC(=C(C=C1Cl)OC)Cl C128230 [0,2,0,0,0,0|2,0,0]=4 1439 B12R1.450 COC1=CC(=C(C=C1F)OC)F D168336 [0,2,0,0,0,0|2,0,0]=4 1440 B12R1.450 COC1=CC(=C(C=C1F)OC)F D531667 [0,2,0,0,0,0|2,0,0]=4 1441 B12R1.450 COC1=CC(=C(C=C1I)OC)I D404286 [0,2,0,0,0,0|2,0,0]=4 1442 B12R1.450 COC1=CC(=C(C=C1N)OC)Cl C115803 [0,2,0,0,0,0|2,0,0]=4 1443 B12R1.450 COC1=CC(=O)C(=CC1=O)OC D154942 [0,2,0,0,0,0|2,0,0]=4 1444 B12R1.653 C1=CC(=C(C(=C1C=O)O)O)C=O B299923 [0,2,0,0,0,0|2,0,0]=4 1445 B12R1.653 CC1=C(C=CC(=C1C)OC)C=O D124134 [0,2,0,0,0,0|0,0,0]=2 1446 B12R1.653 COC1=C(C(=C(C=C1)C=O)Cl)O W135109 [0,2,0,0,0,0|0,0,0]=2 1447 B12R1.653 COC1=C(C(=C(C=C1)C=O)F)F D183197 [0,2,0,0,0,0|0,0,0]=2 1448 B12R1.653 COC1=C(C(=C(C=C1)C=O)I)O H167150 [0,2,0,0,0,0|0,0,0]=2 1449 B12R1.653 COC1=C(C(=C(C=C1)OC)Br)Br D193609 [0,2,0,0,0,0|2,0,0]=4 1450 B12R1.653 COC1=C(C(=C(C=C1)OC)N)N D589018 [0,2,0,0,0,0|2,0,0]=4 1451 B10R1.2 CC1=C(C(=CC=C1)C=O)Br B189639 [0,0,1,1,0,0|2,0,0]=4 1452 B10R1.2 CC1=C(C(=CC=C1)C=O)C D122616 [0,0,1,1,0,0|1,0,1]=4 1453 B10R1.2 CC1=C(C(=CC=C1)C=O)F F187765 [0,0,1,1,0,0|2,0,0]=4 1454 B10R1.2 CC1=C(C(=CC=C1)C=O)O M124154 [0,0,1,1,0,0|2,0,0]=4 1455 B10R1.2 CC1=C(C(=CC=C1)OC)Br B588949 [0,0,1,1,0,0|2,0,0]=4 1456 B10R1.2 CC1=C(C(=CC=C1)OC)C D123572 [0,0,1,1,0,0|1,0,1]=4 1457 B10R1.2 CC1=C(C(=CC=C1)OC)N M122432 [0,0,1,1,0,0|2,0,0]=4 1458 B10R1.2 CC1=C(C=CC=C1Br)OC B183641 [0,0,1,1,0,0|1,0,1]=4 1459 B10R1.2 CC1=C(C=CC=C1Cl)OC C153448 [0,0,1,1,0,0|1,0,1]=4 1460 B10R1.2 CC1=C(C=CC=C1OC)N M122543 [0,0,1,1,0,0|1,0,1]=4 1461 B10R1.2 COC1=C(C(=CC=C1)Br)F B183493 [0,0,1,1,0,0|2,0,0]=4 1462 B10R1.2 COC1=C(C(=CC=C1)Br)O B152682 [0,0,1,1,0,0|2,0,0]=4 1463 B10R1.2 COC1=C(C(=CC=C1)Cl)Cl D155544 [0,0,1,1,0,0|2,0,0]=4 1464 B10R1.2 COC1=C(C(=CC=C1)Cl)F C183246 [0,0,1,1,0,0|2,0,0]=4 1465 B10R1.2 COC1=C(C(=CC=C1)F)F D115511 [0,0,1,1,0,0|2,0,0]=4 1466 B10R1.2 COC1=C(C(=CC=C1)F)O W134426 [0,0,1,1,0,0|2,0,0]=4 1467 B10R1.2 COC1=CC=CC(=C1Br)N B179486 [0,0,1,1,0,0|2,0,0]=4 1468 B10R1.2 COC1=CC=CC(=C1Br)O B167079 [0,0,1,1,0,0|1,0,1]=4 1469 B10R1.2 COC1=CC=CC(=C1Cl)N C172103 [0,0,1,1,0,0|2,0,0]=4 1470 B10R1.2 COC1=CC=CC(=C1N)O A589052 [0,0,1,1,0,0|1,0,1]=4 1471 B10R1.2 COC1=CC=CC(=C1O)O M157868 [0,0,1,1,0,0|1,0,1]=4 1472 B10R2.31 C1CC2=C1C=CC(=C2)Br B132442 [1,0,0,1,0,0|2,0,0]=4 1473 B12R2.9 C1CC1C2=CC=C(C=C2)C=O C191904 [0,1,0,1,0,0|1,0,0]=3 1474 B12R2.44 C1=CC(=CC2=C1C=CN2)C=O I123428 [0,1,0,1,0,0|1,0,1]=4 1475 B12R2.44 C1=CC2=C(C=C1C=O)C=NN2 I138561 [0,1,0,1,0,0|1,0,1]=4 1476 B12R2.44 C1=CC2=C(C=C1C=O)NN=C2 H139159 [0,1,0,1,0,0|2,0,0]=4 1477 B12R2.44 C1=CC2=C(C=C1C=O)SC=N2 B191898 [0,1,0,1,0,0|1,0,1]=4 1478 B12R2.44 C1=CC2=C(C=CN2)C=C1C=O I115574 [0,1,0,1,0,0|1,0,1]=4 1479 B12R2.44 C1=CC2=C(C=CO2)C=C1C=O B189275 [0,1,0,1,0,0|0,0,1]=3 1480 B12R2.44 C1COC2=C1C=C(C=C2)C=O D111411 [0,1,0,1,0,0|0,0,0]=2 1481 B12R2.44 C1COC2=C1C=C(C=C2)CO D586206 [0,1,0,1,0,0|0,0,2]=4 1482 B12R2.44 C1OC2=C(O1)C=C(C=C2)C#N P111439 [0,1,0,1,0,0|1,0,1]=4 1483 B12R2.44 C1OC2=C(O1)C=C(C=C2)CN P133135 [0,1,0,1,0,0|1,0,1]=4 1484 B12R2.44 C1OC2=C(O1)C=C(C=C2)CO P160713 [0,1,0,1,0,0|0,0,2]=4 1485 B12R2.44 COC1=CC2=C(C=C1)C=CN2 M123429 [0,1,0,1,0,0|1,0,0]=3 1486 B12R2.44 COC1=CC2=C(C=C1)N=CN2 M124712 [0,1,0,1,0,0|1,0,0]=3 1487 B12R2.44 COC1=CC2=C(C=C1)N=CS2 M183487 [0,1,0,1,0,0|0,1,0]=3 1488 B12R2.44 COC1=CC2=C(C=C1)NC=C2 M111475 [0,1,0,1,0,0|1,0,0]=3 1489 B12R2.44 COC1=CN=C2C(=C1)C=CN2 M587790 [0,1,0,1,0,0|2,0,0]=4 1490 B12R2.44 COC1=NC2=C(C=C1)NC=C2 M138367 [0,1,0,1,0,0|2,0,0]=4 1491 B12R2.44 COC1=NC=C2C(=C1)C=CN2 M138368 [0,1,0,1,0,0|2,0,0]=4 1492 B8R1.1 C1=C(NC=C1Br)C=O B590754 [1,0,0,0,1,0|2,0,0]=4 1493 B8R1.1 C1=C(OC(=C1)Br)C=O B111879 [1,0,0,0,1,0|2,0,0]=4 1494 B8R1.1 C1=C(OC(=C1)Cl)C=O D303050 [1,0,0,0,1,0|2,0,0]=4 1495 B8R1.1 C1=C(OC=C1Br)C=O B151893 [1,0,0,0,1,0|2,0,0]=4 1496 B8R1.1 C1=C(SC(=C1)Br)C=O B101864 [1,0,0,0,1,0|2,0,0]=4 1497 B8R1.1 C1=C(SC(=C1)Cl)C=O C123084 [1,0,0,0,1,0|2,0,0]=4 1498 B8R1.1 C1=C(SC=C1Br)C=O B153194 [1,0,0,0,1,0|2,0,0]=4 1499 B8R1.1 CC1=CC(=NO1)C=O M171227 [1,0,0,0,1,0|2,0,0]=4 1500 B8R1.1 CC1=CC=C(N1)C=O M586541 [1,0,0,0,1,0|1,0,0]=3 1501 B8R1.1 CC1=CC=C(O1)C=O M102952 [1,0,0,0,1,0|1,0,0]=3 1502 B8R1.1 CC1=CC=C(O1)C=O M425132 [1,0,0,0,1,0|1,0,0]=3 1503 B8R1.1 CC1=CC=C(S1)C=O M157937 [1,0,0,0,1,0|1,0,0]=3 1504 B8R1.1 CC1=CN=C(N1)C=O M166023 [1,0,0,0,1,0|2,0,0]=4 1505 B8R1.1 CC1=CSC(=C1)C=O M171140 [1,0,0,0,1,0|1,0,0]=3 1506 B8R1.1 CC1=CSC(=N1)C=O W131880 [1,0,0,0,1,0|2,0,0]=4 1507 B8R1.1 CC1=NC(=CO1)C=O W132350 [1,0,0,0,1,0|2,0,0]=4 1508 B8R1.1 CC1=NC(=CS1)C=O W133174 [1,0,0,0,1,0|2,0,0]=4 1509 B8R1.1 CC1=NC=C(S1)C=O M586094 [1,0,0,0,1,0|2,0,0]=4 1510 B8R1.1 CN1C=C(C=N1)C=O M137134 [1,0,0,0,1,0|2,0,0]=4 1511 B8R1.1 COC1=CC(=O)CC1 M170478 [1,0,0,0,1,0|0,0,2]=4 1512 B8R1.1 COC1=CC(=O)NC1 M194648 [1,0,0,0,1,0|1,0,1]=4 1513 B10R1.172 C1=C(C=NC=C1C#N)C=O F177238 [0,0,0,0,1,1|2,0,0]=4 1514 B10R1.172 C1=CC(=CC(=C1)C#N)C=O F100743 [0,0,0,0,1,1|2,0,0]=4 1515 B10R1.172 C1=CC(=CC(=C1)C=O)C=O I106945 [0,0,0,0,1,1|2,0,0]=4 1516 B10R1.172 C1=CC(=CC(=C1)C=O)CBr B186757 [0,0,0,0,1,1|2,0,0]=4 1517 B10R1.172 C=CC1=CC(=CC=C1)C=O V168330 [0,0,0,0,1,1|1,0,1]=4 1518 B10R1.172 CCC1=CC(=CC=C1)C=O E192849 [0,0,0,0,1,1|1,0,0]=3 1519 B10R1.172 CNC1=CC(=CC=C1)OC M167275 [0,0,0,0,1,1|2,0,0]=4 1520 B10R1.172 COC1=CC(=CC=C1)OC D105919 [0,0,0,0,1,1|2,0,0]=4 1521 B10R1.172 COC1=CC(=CN=C1)OC D587836 [0,0,0,0,1,1|2,0,0]=4 1522 B10R1.172 COC1=CC(=NC=C1)C#N M184013 [0,0,0,0,1,1|1,0,1]=4 1523 B10R1.172 COC1=CC(=NC=C1)CN M191852 [0,0,0,0,1,1|1,0,1]=4 1524 B10R1.172 COC1=CC(=NC=C1)CO M167781 [0,0,0,0,1,1|0,0,2]=4 1525 B10R1.172 COC1=CC(=NC=C1)OC D182331 [0,0,0,0,1,1|2,0,0]=4 1526 B10R1.172 COC1=CC=CC(=C1)C#C E123092 [0,0,0,0,1,1|1,0,1]=4 1527 B10R1.172 COC1=CC=CC(=C1)C#N M107611 [0,0,0,0,1,1|1,0,1]=4 1528 B10R1.172 COC1=CC=CC(=C1)C=C V339129 [0,0,0,0,1,1|1,0,0]=3 1529 B10R1.172 COC1=CC=CC(=C1)C=O M106420 [0,0,0,0,1,1|0,0,0]=2 1530 B10R1.172 COC1=CC=CC(=C1)CBr M299353 [0,0,0,0,1,1|1,0,1]=4 1531 B10R1.172 COC1=CC=CC(=C1)CCl M123139 [0,0,0,0,1,1|1,0,1]=4 1532 B10R1.172 COC1=CC=CC(=C1)CN M113479 [0,0,0,0,1,1|1,0,1]=4 1533 B10R1.172 COC1=CC=CC(=C1)CO M123137 [0,0,0,0,1,1|0,0,2]=4 1534 B10R1.172 COC1=CC=CC(=N1)C=O M115767 [0,0,0,0,1,1|1,0,0]=3 1535 B10R1.172 COC1=CN=CC(=C1)C#N M183504 [0,0,0,0,1,1|1,0,1]=4 1536 B10R1.172 COC1=CN=CC(=C1)C=O M115768 [0,0,0,0,1,1|0,0,0]=2 1537 B10R1.172 COC1=NC=CC(=C1)C=O M177294 [0,0,0,0,1,1|0,0,0]=2 1538 B10R1.172 COC1=NC=CC(=C1)CO M166644 [0,0,0,0,1,1|0,0,2]=4 1539 B10R1.172 CSC1=NC=CC(=N1)C=O M171907 [0,0,0,0,1,1|1,1,0]=4