0 B10R1.118 CC1=C(Br)C=C(I)C(N)=N1 043824 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.118 CC1=C(C)C=C(Cl)C(N)=C1 080091 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.118 CC1=C(C)C=C(N)C(N)=C1 219765 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.118 CC1=C(Cl)C=C(Cl)C(N)=N1 032587 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.118 CC1=CC(Br)=C(C)C=C1Br 019177 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.118 CC1=CC(Br)=C(C)C=C1Cl 035810 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.118 CC1=CC(Br)=C(C)C=C1I 037402 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.118 CC1=CC(C)=C(C)C=C1Br 210362 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.118 CC1=CC(C)=C(C)C=C1C 448616 [0,0,0,0,0,0|2,0,0]=2 9 B10R1.118 CC1=CC(Cl)=C(C)C=C1Cl 012740 [0,0,0,0,0,0|4,0,0]=4 10 B10R1.118 CC1=CC(I)=C(C)C=C1Cl 035809 [0,0,0,0,0,0|4,0,0]=4 11 B10R1.118 CC1=CC(N)=C(C)C=C1Br 037401 [0,0,0,0,0,0|4,0,0]=4 12 B10R1.118 CC1=CC(N)=C(C)C=C1Cl 032487 [0,0,0,0,0,0|4,0,0]=4 13 B10R1.118 CC1=NC(C)=C(C)N=C1C 078918 [0,0,0,0,0,0|0,0,0]=0 14 B10R1.118 CC1=NC(N)=C(Br)C=C1Br 010400 [0,0,0,0,0,0|4,0,0]=4 15 B10R1.118 Cc1nc(C)c(C)nc1C 196124 [0,0,0,0,0,0|0,0,0]=0 16 B9R1.69 CC1=C(Br)C=CC(Br)=N1 012710 [1,0,0,0,0,0|3,0,0]=4 17 B9R1.69 CC1=C(Br)C=CC(Cl)=N1 033110 [1,0,0,0,0,0|3,0,0]=4 18 B9R1.69 CC1=C(C)C=C(F)C=C1 002578 [1,0,0,0,0,0|3,0,0]=4 19 B9R1.69 CC1=C(C)C=C(I)C=C1 004948 [1,0,0,0,0,0|3,0,0]=4 20 B9R1.69 CC1=C(C)C=C(N)C=C1 038327 [1,0,0,0,0,0|3,0,0]=4 21 B9R1.69 CC1=C(C)C=C(O)C=C1 094083 [1,0,0,0,0,0|3,0,0]=4 22 B9R1.69 CC1=C(C)C=C(S)C=C1 001347 [1,0,0,0,0,0|3,0,0]=4 23 B9R1.69 CC1=C(C)N=C(N)C=C1 024688 [1,0,0,0,0,0|2,0,0]=3 24 B9R1.69 CC1=C(F)C=CC(Cl)=N1 033259 [1,0,0,0,0,0|3,0,0]=4 25 B9R1.69 CC1=C(O)N=CC(Br)=C1 035850 [1,0,0,0,0,0|3,0,0]=4 26 B9R1.69 CC1=CC(Br)=C(C)C=C1 019270 [1,0,0,0,0,0|3,0,0]=4 27 B9R1.69 CC1=CC(Br)=C(Cl)N=C1 043875 [1,0,0,0,0,0|3,0,0]=4 28 B9R1.69 CC1=CC(Br)=CN=C1Br 036398 [1,0,0,0,0,0|3,0,0]=4 29 B9R1.69 CC1=CC(Br)=CN=C1Cl 036246 [1,0,0,0,0,0|3,0,0]=4 30 B9R1.69 CC1=CC(Br)=CN=C1F 012711 [1,0,0,0,0,0|3,0,0]=4 31 B9R1.69 CC1=CC(Br)=CN=C1N 002494 [1,0,0,0,0,0|3,0,0]=4 32 B9R1.69 CC1=CC(C)=C(I)C=C1 001771 [1,0,0,0,0,0|3,0,0]=4 33 B9R1.69 CC1=CC(C)=C(S)C=C1 001344 [1,0,0,0,0,0|3,0,0]=4 34 B9R1.69 CC1=CC(Cl)=CN=C1Cl 033107 [1,0,0,0,0,0|3,0,0]=4 35 B9R1.69 CC1=CC(Cl)=CN=C1N 033113 [1,0,0,0,0,0|3,0,0]=4 36 B9R1.69 CC1=CC(F)=C(Cl)N=C1 033267 [1,0,0,0,0,0|3,0,0]=4 37 B9R1.69 CC1=CC(F)=CN=C1Cl 077349 [1,0,0,0,0,0|3,0,0]=4 38 B9R1.69 CC1=CC(I)=C(C)C=C1 003509 [1,0,0,0,0,0|3,0,0]=4 39 B9R1.69 CC1=CC(I)=CN=C1N 033294 [1,0,0,0,0,0|3,0,0]=4 40 B9R1.69 CC1=CC(N)=C(C)C=C1 094616 [1,0,0,0,0,0|3,0,0]=4 41 B9R1.69 CC1=CC(N)=C(Cl)N=C1 033670 [1,0,0,0,0,0|3,0,0]=4 42 B9R1.69 CC1=CC(S)=C(C)C=C1 001345 [1,0,0,0,0,0|3,0,0]=4 43 B9R1.69 CC1=CC=C(Br)C(C)=C1 018327 [1,0,0,0,0,0|3,0,0]=4 44 B9R1.69 CC1=CC=C(Br)C(Cl)=N1 036228 [1,0,0,0,0,0|3,0,0]=4 45 B9R1.69 CC1=CC=C(Br)C(F)=N1 077268 [1,0,0,0,0,0|3,0,0]=4 46 B9R1.69 CC1=CC=C(Br)C=C1C 018328 [1,0,0,0,0,0|3,0,0]=4 47 B9R1.69 CC1=CC=C(C)C(Cl)=C1 094429 [1,0,0,0,0,0|3,0,0]=4 48 B9R1.69 CC1=CC=C(Cl)N=C1Cl 079679 [1,0,0,0,0,0|3,0,0]=4 49 B9R1.69 CC1=CC=C(N)C(C)=C1 098336 [1,0,0,0,0,0|3,0,0]=4 50 B9R1.69 CC1=CC=C(N)C(C)=N1 079681 [1,0,0,0,0,0|2,0,0]=3 51 B9R1.69 CC1=CC=C(O)C(C)=C1 208699 [1,0,0,0,0,0|3,0,0]=4 52 B9R1.69 CC1=CC=C(O)C(C)=N1 208702 [1,0,0,0,0,0|2,0,0]=3 53 B9R1.69 CC1=CC=C(O)C(I)=N1 076967 [1,0,0,0,0,0|3,0,0]=4 54 B9R1.69 CC1=CN=C(Br)C(Br)=C1 033109 [1,0,0,0,0,0|3,0,0]=4 55 B9R1.69 CC1=CN=C(C)C(C)=C1 219272 [1,0,0,0,0,0|1,0,0]=2 56 B9R1.69 CC1=CN=C(C)N=C1O 189283 [1,0,0,0,0,0|3,0,0]=4 57 B9R1.69 CC1=CN=C(N)C(Br)=C1 002493 [1,0,0,0,0,0|3,0,0]=4 58 B9R1.69 CC1=CN=C(N)C(Cl)=C1 219357 [1,0,0,0,0,0|3,0,0]=4 59 B9R1.69 CC1=NC(Br)=CC=C1F 033261 [1,0,0,0,0,0|3,0,0]=4 60 B9R1.69 CC1=NC(Br)=CC=C1N 040412 [1,0,0,0,0,0|3,0,0]=4 61 B9R1.69 CC1=NC(Cl)=CC=C1N 040121 [1,0,0,0,0,0|3,0,0]=4 62 B9R1.69 CC1=NC(F)=CC=C1Br 045232 [1,0,0,0,0,0|3,0,0]=4 63 B9R1.69 CC1=NC(N)=CC=C1Br 002495 [1,0,0,0,0,0|3,0,0]=4 64 B9R1.69 CC1=NC=C(N)C=C1Br 064785 [1,0,0,0,0,0|3,0,0]=4 65 B9R1.69 ClC1=CN=C(I)C(Cl)=N1 092141 [1,0,0,0,0,0|3,0,0]=4 66 B9R1.69 NC1=NC=C(Br)N=C1Br 036760 [1,0,0,0,0,0|3,0,0]=4 67 B9R1.69 NC1=NC=C(Cl)N=C1Cl 076341 [1,0,0,0,0,0|3,0,0]=4 68 B11R1.32 CC1=CC(C)=C(C)C(C)=C1C 050324 [0,1,0,0,0,0|2,0,0]=3 69 B9R1.37 CC1=C(C)C(=O)OC1=O 078937 [0,0,0,0,1,0|3,0,0]=4 70 B9R1.37 CC1=NN(C)C(C)=C1Br 067376 [0,0,0,0,1,0|2,0,0]=3 71 B8R1.3 BrC1=CN=C(Br)C=N1 067412 [2,0,0,0,0,0|2,0,0]=4 72 B8R1.3 CC1=CC=C(C)C=C1 098352 [2,0,0,0,0,0|2,0,0]=4 73 B8R1.3 CC1=CC=C(Cl)N=C1 049167 [2,0,0,0,0,0|2,0,0]=4 74 B8R1.3 CC1=CC=C(F)C=N1 035867 [2,0,0,0,0,0|2,0,0]=4 75 B8R1.3 CC1=CC=C(N)C=N1 012721 [2,0,0,0,0,0|2,0,0]=4 76 B8R1.3 CC1=CN=C(Br)C=C1 024508 [2,0,0,0,0,0|2,0,0]=4 77 B8R1.3 CC1=CN=C(C)C=N1 002729 [2,0,0,0,0,0|0,0,0]=2 78 B8R1.3 CC1=CN=C(F)C=C1 008920 [2,0,0,0,0,0|2,0,0]=4 79 B8R1.3 CC1=CN=C(N)C=C1 003527 [2,0,0,0,0,0|2,0,0]=4 80 B8R1.3 CC1=CN=C(N)C=N1 064501 [2,0,0,0,0,0|1,0,0]=3 81 B8R1.3 CC1=CN=C(O)C=C1 037381 [2,0,0,0,0,0|2,0,0]=4 82 B8R1.3 CC1=NC=C(Br)C=C1 033262 [2,0,0,0,0,0|2,0,0]=4 83 B8R1.3 CC1=NC=C(Cl)C=C1 221445 [2,0,0,0,0,0|2,0,0]=4 84 B8R1.3 CC1=NC=C(O)C=C1 076959 [2,0,0,0,0,0|2,0,0]=4 85 B8R1.3 ClC1=CN=C(Br)C=N1 077094 [2,0,0,0,0,0|2,0,0]=4 86 B8R1.3 NC1=NC=C(Br)N=C1 036703 [2,0,0,0,0,0|2,0,0]=4 87 B8R1.3 NC1=NC=C(I)N=C1 076106 [2,0,0,0,0,0|2,0,0]=4 88 B8R1.3 OC1=NC=C(Br)N=C1 046364 [2,0,0,0,0,0|2,0,0]=4 89 B8R1.3 OC1=NC=C(Cl)N=C1 076747 [2,0,0,0,0,0|2,0,0]=4 90 B8R1.4 CC1=CC(Br)=CN=C1 036864 [2,0,0,0,0,0|2,0,0]=4 91 B8R1.4 CC1=CC=CC(C)=C1 103820 [2,0,0,0,0,0|2,0,0]=4 92 B8R1.4 CC1=CC=CC(C)=N1 092726 [2,0,0,0,0,0|1,0,0]=3 93 B8R1.4 CC1=CC=CC(C)=N1 104293 [2,0,0,0,0,0|1,0,0]=3 94 B8R1.4 CC1=CC=CC(Cl)=N1 010405 [2,0,0,0,0,0|2,0,0]=4 95 B8R1.4 CC1=CC=CC(F)=N1 006288 [2,0,0,0,0,0|2,0,0]=4 96 B8R1.4 CC1=CC=CC(N)=N1 020196 [2,0,0,0,0,0|2,0,0]=4 97 B8R1.4 CC1=CN=CC(C)=C1 094626 [2,0,0,0,0,0|1,0,0]=3 98 B8R1.4 CC1=CN=CC(C)=N1 002730 [2,0,0,0,0,0|0,0,0]=2 99 B8R1.4 CC1=CN=CC(Cl)=N1 067405 [2,0,0,0,0,0|1,0,0]=3 100 B8R1.4 CC1=CN=CC(N)=C1 033255 [2,0,0,0,0,0|2,0,0]=4 101 B8R1.4 CC1=NC(Br)=CC=C1 020192 [2,0,0,0,0,0|2,0,0]=4 102 B8R1.4 ClC1=CN=CC(Cl)=N1 002758 [2,0,0,0,0,0|2,0,0]=4 103 B8R1.4 NC1=CN=CC(N)=N1 079286 [2,0,0,0,0,0|2,0,0]=4 104 B8R1.4 NC1=NC(Cl)=CN=C1 002753 [2,0,0,0,0,0|2,0,0]=4 105 B8R1.5 BrC1=NC=CN=C1Br 076793 [2,0,0,0,0,0|2,0,0]=4 106 B8R1.5 CC1=C(C)C=CC=C1 094836 [2,0,0,0,0,0|2,0,0]=4 107 B8R1.5 CC1=C(C)C=CC=C1 098283 [2,0,0,0,0,0|2,0,0]=4 108 B8R1.5 CC1=C(Cl)N=CC=C1 048691 [2,0,0,0,0,0|2,0,0]=4 109 B8R1.5 CC1=CC=CN=C1Br 036374 [2,0,0,0,0,0|2,0,0]=4 110 B8R1.5 CC1=CC=CN=C1C 477008 [2,0,0,0,0,0|1,0,0]=3 111 B8R1.5 CC1=CC=CN=C1F 001764 [2,0,0,0,0,0|2,0,0]=4 112 B8R1.5 CC1=CC=CN=C1N 032515 [2,0,0,0,0,0|2,0,0]=4 113 B8R1.5 CC1=NC=CC=C1Br 036242 [2,0,0,0,0,0|2,0,0]=4 114 B8R1.5 CC1=NC=CC=C1Cl 047642 [2,0,0,0,0,0|2,0,0]=4 115 B8R1.5 CC1=NC=CC=C1F 092332 [2,0,0,0,0,0|2,0,0]=4 116 B8R1.5 CC1=NC=CC=C1N 036315 [2,0,0,0,0,0|2,0,0]=4 117 B8R1.5 CC1=NC=CC=C1O 044756 [2,0,0,0,0,0|2,0,0]=4 118 B8R1.5 CC1=NC=CN=C1C 009615 [2,0,0,0,0,0|0,0,0]=2 119 B8R1.5 CC1=NC=CN=C1Cl 077109 [2,0,0,0,0,0|1,0,0]=3 120 B8R1.5 ClC1=NC=CN=C1Cl 002757 [2,0,0,0,0,0|2,0,0]=4 121 B8R1.5 NC1=C(Cl)N=CC=N1 035839 [2,0,0,0,0,0|2,0,0]=4 122 B8R1.5 NC1=NC=CN=C1N 080010 [2,0,0,0,0,0|2,0,0]=4 123 B8R1.5 NC1=NC=CN=C1O 079883 [2,0,0,0,0,0|2,0,0]=4 124 B10R1.25 CC1=CC=C(CN)C(C)=C1 018614 [1,1,0,0,0,0|2,0,0]=4 125 B10R1.25 CCC1=C(C)C=C(C)C=N1 450509 [1,1,0,0,0,0|1,0,0]=3 126 B10R1.25 CCC1=C(N)N=C(C)C=C1 430516 [1,1,0,0,0,0|2,0,0]=4 127 B10R1.25 COC1=NC=C(Br)C=C1C 067300 [1,1,0,0,0,0|2,0,0]=4 128 B10R1.25 CSC1=C(C)C=C(C)C=C1 019336 [1,1,0,0,0,0|2,0,0]=4 129 B10R1.30 CC1=CC=C(C)C(CN)=C1 018615 [1,1,0,0,0,0|2,0,0]=4 130 B10R1.30 COC1=NC(Br)=CN=C1Cl 230078 [1,1,0,0,0,0|2,0,0]=4 131 B10R1.30 CSC1=C(C)C=CC(C)=C1 019337 [1,1,0,0,0,0|2,0,0]=4 132 B10R1.119 CC1=C(C)C(C)=C(C)C=C1 462849 [1,1,0,0,0,0|2,0,0]=4 133 B10R1.119 CC1=C(C)C(O)=C(C)C=C1 224603 [1,1,0,0,0,0|2,0,0]=4 134 B10R1.176 CC1=CC=C(CCl)C=C1C 018620 [1,1,0,0,0,0|2,0,0]=4 135 B10R1.176 CC1=CC=C(CN)C=C1C 018617 [1,1,0,0,0,0|2,0,0]=4 136 B10R1.176 CC1=CC=C(CO)C=C1C 237644 [1,1,0,0,0,0|2,0,0]=4 137 B10R1.176 COC1=CC(C)=C(C)C=C1 049843 [1,1,0,0,0,0|2,0,0]=4 138 B10R1.176 COC1=NC(C)=C(Br)C=C1 036180 [1,1,0,0,0,0|2,0,0]=4 139 B10R1.176 CSC1=CC(C)=C(C)C=C1 019339 [1,1,0,0,0,0|2,0,0]=4 140 B10R1.34 CCN1N=C(C)C(N)=C1C 030929 [0,1,0,0,1,0|2,0,0]=4 141 B10R1.256 CC1=NN(C)C(C)=C1C=O 025163 [0,1,0,0,1,0|1,0,1]=4 142 B12R1.3795 CC1=C(C)C(C)=C(Br)C(C)=C1C 211293 [0,2,0,0,0,0|2,0,0]=4 143 B12R1.3795 CC1=C(C)C(C)=C(C)C(C)=C1C 099647 [0,2,0,0,0,0|2,0,0]=4 144 B8R1.18 CC1=C(C)NC(S)=N1 009935 [1,0,0,0,1,0|1,0,1]=4 145 B8R1.18 CC1=C(C)SC(N)=N1 014135 [1,0,0,0,1,0|2,0,0]=4 146 B8R1.18 CC1=C(C)SC(N)=N1 209385 [1,0,0,0,1,0|2,0,0]=4 147 B8R1.18 CC1=C(C)SC(S)=N1 009921 [1,0,0,0,1,0|2,0,0]=4 148 B8R1.18 CC1=CC(C)=NN1C 019024 [1,0,0,0,1,0|1,0,0]=3 149 B8R1.18 CC1=CC(N)=NN1C 030210 [1,0,0,0,1,0|2,0,0]=4 150 B8R1.18 CC1=NC(C)=C(Br)S1 067367 [1,0,0,0,1,0|2,0,0]=4 151 B8R1.18 CC1=NN(C)C(N)=C1 017422 [1,0,0,0,1,0|2,0,0]=4 152 B8R1.50 CC1=C(C)C(N)=NO1 076966 [1,0,0,0,1,0|2,0,0]=4 153 B8R1.50 CC1=C(C)C(O)=NO1 180028 [1,0,0,0,1,0|2,0,0]=4 154 B8R1.50 CC1=NNC(C)=C1Br 017107 [1,0,0,0,1,0|2,0,0]=4 155 B8R1.50 CC1=NNC(C)=C1C 311762 [1,0,0,0,1,0|1,0,0]=3 156 B8R1.50 CC1=NNC(C)=C1Cl 026201 [1,0,0,0,1,0|2,0,0]=4 157 B8R1.50 CC1=NOC(C)=C1Br 017251 [1,0,0,0,1,0|2,0,0]=4 158 B8R1.50 CC1=NOC(C)=C1I 023250 [1,0,0,0,1,0|2,0,0]=4