0 B9R1.6 C=C(C)C1=CC=NC=C1 MC111872 [0,0,0,0,0,0|2,0,1]=3 1 B9R1.6 C=C(F)C1=CC=CC=C1 MC102770 [0,0,0,0,0,0|1,0,2]=3 2 B9R1.6 CC(=O)C1=CC=CC=C1 MC41221 [0,0,0,0,0,0|0,1,1]=2 3 B9R1.6 CC(=O)C1=CC=CN=C1 CS18256 [0,0,0,0,0,0|1,1,1]=3 4 B9R1.6 CC(=O)C1=CC=CN=N1 MC444225 [0,0,0,0,0,0|2,1,1]=4 5 B9R1.6 CC(=O)C1=CC=NC=C1 CS22535 [0,0,0,0,0,0|1,1,1]=3 6 B9R1.6 CC(=O)C1=CN=CN=C1 MC444371 [0,0,0,0,0,0|2,1,1]=4 7 B9R1.6 CC(=O)C1=CN=NC=C1 MC444309 [0,0,0,0,0,0|2,1,1]=4 8 B9R1.6 CC(=O)C1=NC=CC=C1 CS18611 [0,0,0,0,0,0|1,1,1]=3 9 B9R1.6 CC(=O)C1=NC=CC=N1 MC444159 [0,0,0,0,0,0|2,1,1]=4 10 B9R1.6 CC(=O)C1=NC=CN=C1 CS19346 [0,0,0,0,0,0|2,1,1]=4 11 B9R1.6 CC(=O)C1=NC=NC=C1 MC442362 [0,0,0,0,0,0|2,1,1]=4 12 B9R1.6 CC(Br)C1=CC=CC=C1 MC40570 [0,0,0,0,0,0|1,0,0]=1 13 B9R1.6 CC(C)C1=NC=CC=C1 CS21621 [0,0,0,0,0,0|2,0,0]=2 14 B9R1.6 CC(N)C1=CC=CC=C1 CS10551 [0,0,0,0,0,0|1,0,0]=1 15 B9R1.6 CC(N)C1=CC=CC=C1 MC20344 [0,0,0,0,0,0|1,0,0]=1 16 B9R1.6 CC(N)C1=CN=CN=C1 MC102354 [0,0,0,0,0,0|3,0,0]=3 17 B9R1.6 CC(N)C1=CN=CN=C1 MC104062 [0,0,0,0,0,0|3,0,0]=3 18 B9R1.6 CC(N)C1=CN=CN=C1 MC105298 [0,0,0,0,0,0|3,0,0]=3 19 B9R1.6 CC(N)C1=CN=NC=C1 MC103837 [0,0,0,0,0,0|3,0,0]=3 20 B9R1.6 CC(N)C1=NC=CC=C1 CS15370 [0,0,0,0,0,0|2,0,0]=2 21 B9R1.6 CC(N)C1=NC=CC=C1 CS20271 [0,0,0,0,0,0|2,0,0]=2 22 B9R1.6 CC(N)C1=NC=CC=N1 MC431305 [0,0,0,0,0,0|3,0,0]=3 23 B9R1.6 CC(N)C1=NC=CN=C1 CS12997 [0,0,0,0,0,0|3,0,0]=3 24 B9R1.6 CC(N)C1=NC=NC=C1 MC103926 [0,0,0,0,0,0|3,0,0]=3 25 B9R1.6 CC(O)C1=CC=CC=C1 MC20383 [0,0,0,0,0,0|0,1,0]=1 26 B9R1.6 CC(O)C1=NC=CC=C1 CS20801 [0,0,0,0,0,0|1,1,0]=2 27 B9R1.6 CC(O)C1=NC=CC=C1 MC20310 [0,0,0,0,0,0|1,1,0]=2 28 B9R1.6 CN(C)C1=CC=CC=C1 MC40906 [0,0,0,0,0,0|2,0,0]=2 29 B9R1.6 CN(C)C1=CC=NC=C1 CS13386 [0,0,0,0,0,0|3,0,0]=3 30 B9R1.6 CN(C)C1=CN=CN=C1 MC442270 [0,0,0,0,0,0|4,0,0]=4 31 B9R1.6 C[PH](=O)C1=CC=CC=C1 CS16386 [0,0,0,0,0,0|1,1,0]=2 32 B9R1.6 ClC(Cl)C1=CC=CC=C1 MC40608 [0,0,0,0,0,0|2,0,0]=2 33 B9R1.6 FC(F)C1=CC=CC=C1 MC41442 [0,0,0,0,0,0|2,0,0]=2 34 B9R1.6 FC(F)C1=CC=CN=C1 MC429164 [0,0,0,0,0,0|3,0,0]=3 35 B9R1.6 FC(F)C1=CC=NC=C1 MC429159 [0,0,0,0,0,0|3,0,0]=3 36 B9R1.6 FC(F)C1=NC=CC=C1 MC429160 [0,0,0,0,0,0|3,0,0]=3 37 B9R1.6 N=C(N)C1=CC=CC=C1 CS14830 [0,0,0,0,0,0|2,0,1]=3 38 B9R1.6 N=C(N)C1=CN=CC=C1 CS19487 [0,0,0,0,0,0|3,0,1]=4 39 B9R1.6 N=C(N)C1=NC=CC=C1 CS19100 [0,0,0,0,0,0|3,0,1]=4 40 B9R1.6 NC(=O)C1=CC=CC=C1 CS10962 [0,0,0,0,0,0|1,1,1]=3 41 B9R1.6 NC(=O)C1=CC=NC=C1 CS13721 [0,0,0,0,0,0|2,1,1]=4 42 B9R1.6 NC(=O)C1=NC=CC=C1 CS11910 [0,0,0,0,0,0|2,1,1]=4 43 B9R1.6 NC(=S)C1=CC=CC=C1 MC20863 [0,0,0,0,0,0|1,0,2]=3 44 B9R1.6 O=C(Cl)C1=CC=CC=C1 MC40435 [0,0,0,0,0,0|1,1,1]=3 45 B9R1.6 O=C(Cl)C1=NC=CC=C1 CS11857 [0,0,0,0,0,0|2,1,1]=4 46 B9R1.6 O=C(O)C1=CC=CC=C1 MC40233 [0,0,0,0,0,0|1,1,1]=3 47 B9R1.6 O=C(O)C1=CC=CN=C1 MC41633 [0,0,0,0,0,0|2,1,1]=4 48 B9R1.6 O=C(O)C1=NC=CC=C1 CS13384 [0,0,0,0,0,0|2,1,1]=4 49 B9R1.6 O=[N+]([O-])C1=CC=CC=C1 MC41586 [0,0,0,0,0,0|2,1,0]=3 50 B9R1.6 O=[N+]([O-])C1=CC=CN=C1 CS22384 [0,0,0,0,0,0|3,1,0]=4 51 B9R1.6 OB(O)C1=CC=CC=C1 CS19450 [0,0,0,0,0,0|2,1,0]=3 52 B9R1.6 OB(O)C1=CC=CN=C1 CS17797 [0,0,0,0,0,0|3,1,0]=4 53 B9R1.6 OB(O)C1=CC=NC=C1 CS22018 [0,0,0,0,0,0|3,1,0]=4 54 B9R1.6 OB(O)C1=NC=CC=C1 MC20201 [0,0,0,0,0,0|3,1,0]=4 55 B8R1.2 BrCC1=CC=CN=N1 CS15758 [1,0,0,0,0,0|3,0,0]=4 56 B8R1.2 BrCC1=CC=NC=C1 CS22459 [1,0,0,0,0,0|2,0,0]=3 57 B8R1.2 BrCC1=CC=NC=C1 MC111773 [1,0,0,0,0,0|2,0,0]=3 58 B8R1.2 BrCC1=CN=CN=C1 CS17938 [1,0,0,0,0,0|3,0,0]=4 59 B8R1.2 BrCC1=NC=CC=N1 MC110628 [1,0,0,0,0,0|3,0,0]=4 60 B8R1.2 BrCC1=NC=CN=C1 MC115921 [1,0,0,0,0,0|3,0,0]=4 61 B8R1.2 Br[Mg]c1cccnc1 MC121318 [1,0,0,0,0,0|3,0,0]=4 62 B8R1.2 Br[Zn]c1ccccn1 MC121328 [1,0,0,0,0,0|3,0,0]=4 63 B8R1.2 Br[Zn]c1cccnc1 MC121329 [1,0,0,0,0,0|3,0,0]=4 64 B8R1.2 C#CC1=CC=CC=C1 CS19127 [1,0,0,0,0,0|0,0,2]=3 65 B8R1.2 C#CC1=CC=NC=C1 CS22825 [1,0,0,0,0,0|1,0,2]=4 66 B8R1.2 C#CC1=NC=CC=C1 CS21539 [1,0,0,0,0,0|1,0,2]=4 67 B8R1.2 CCC1=CC=CC=C1 MC41556 [1,0,0,0,0,0|0,0,0]=1 68 B8R1.2 CCC1=CC=CN=C1 CS22277 [1,0,0,0,0,0|1,0,0]=2 69 B8R1.2 CCC1=NC=CN=C1 CS21534 [1,0,0,0,0,0|2,0,0]=3 70 B8R1.2 CNC1=CC=CC=C1 CS11792 [1,0,0,0,0,0|1,0,0]=2 71 B8R1.2 CNC1=CC=CN=C1 CS13856 [1,0,0,0,0,0|2,0,0]=3 72 B8R1.2 CNC1=CC=NC=C1 MC41620 [1,0,0,0,0,0|2,0,0]=3 73 B8R1.2 COC1=CC=CC=C1 MC41309 [1,0,0,0,0,0|1,0,0]=2 74 B8R1.2 COC1=CC=CN=C1 CS22348 [1,0,0,0,0,0|2,0,0]=3 75 B8R1.2 COC1=CC=CN=N1 CS22347 [1,0,0,0,0,0|3,0,0]=4 76 B8R1.2 COC1=CC=NC=C1 CS19206 [1,0,0,0,0,0|2,0,0]=3 77 B8R1.2 COC1=CN=CN=C1 MC428182 [1,0,0,0,0,0|3,0,0]=4 78 B8R1.2 COC1=CN=NC=C1 MC427243 [1,0,0,0,0,0|3,0,0]=4 79 B8R1.2 COC1=NC=CC=C1 CS18780 [1,0,0,0,0,0|2,0,0]=3 80 B8R1.2 COC1=NC=CN=C1 CS17887 [1,0,0,0,0,0|3,0,0]=4 81 B8R1.2 CSC1=CC=CC=C1 MC439137 [1,0,0,0,0,0|1,0,0]=2 82 B8R1.2 CSC1=NC=CC=C1 MC41628 [1,0,0,0,0,0|2,0,0]=3 83 B8R1.2 ClCC1=CC=CN=C1 CS19291 [1,0,0,0,0,0|2,0,0]=3 84 B8R1.2 ClCC1=CC=CN=N1 CS16004 [1,0,0,0,0,0|3,0,0]=4 85 B8R1.2 ClCC1=CC=CN=N1 MC112985 [1,0,0,0,0,0|3,0,0]=4 86 B8R1.2 ClCC1=CN=CN=C1 MC444367 [1,0,0,0,0,0|3,0,0]=4 87 B8R1.2 ClCC1=NC=CC=C1 CS19289 [1,0,0,0,0,0|2,0,0]=3 88 B8R1.2 ClCC1=NC=CC=N1 CS20902 [1,0,0,0,0,0|3,0,0]=4 89 B8R1.2 ClCC1=NC=CN=C1 MC444156 [1,0,0,0,0,0|3,0,0]=4 90 B8R1.2 ICC1=CC=CC=C1 CS11000 [1,0,0,0,0,0|1,0,0]=2 91 B8R1.2 ICC1=CC=CN=C1 MC430640 [1,0,0,0,0,0|2,0,0]=3 92 B8R1.2 I[Zn]c1ccccc1 MC121332 [1,0,0,0,0,0|2,0,0]=3 93 B8R1.2 N#CC1=CC=CC=C1 MC40623 [1,0,0,0,0,0|1,0,1]=3 94 B8R1.2 N#CC1=CC=NC=C1 MC427074 [1,0,0,0,0,0|2,0,1]=4 95 B8R1.2 N#CC1=CN=CC=C1 CS22263 [1,0,0,0,0,0|2,0,1]=4 96 B8R1.2 N#CC1=NC=CC=C1 CS19642 [1,0,0,0,0,0|2,0,1]=4 97 B8R1.2 N#Cc1ccccc1 CS13696 [1,0,0,0,0,0|1,0,1]=3 98 B8R1.2 NCC1=CC=CC=C1 MC40797 [1,0,0,0,0,0|1,0,0]=2 99 B8R1.2 NCC1=CC=CN=C1 CS14226 [1,0,0,0,0,0|2,0,0]=3 100 B8R1.2 NCC1=CC=CN=N1 MC444234 [1,0,0,0,0,0|3,0,0]=4 101 B8R1.2 NCC1=CC=NC=C1 CS11906 [1,0,0,0,0,0|2,0,0]=3 102 B8R1.2 NCC1=CC=NC=C1 CS19023 [1,0,0,0,0,0|2,0,0]=3 103 B8R1.2 NCC1=CN=CN=C1 MC444384 [1,0,0,0,0,0|3,0,0]=4 104 B8R1.2 NCC1=CN=NC=C1 CS15014 [1,0,0,0,0,0|3,0,0]=4 105 B8R1.2 NCC1=CN=NC=C1 CS15515 [1,0,0,0,0,0|3,0,0]=4 106 B8R1.2 NCC1=CN=NC=C1 MC444324 [1,0,0,0,0,0|3,0,0]=4 107 B8R1.2 NCC1=NC=CC=N1 CS21304 [1,0,0,0,0,0|3,0,0]=4 108 B8R1.2 NCC1=NC=CC=N1 MC425460 [1,0,0,0,0,0|3,0,0]=4 109 B8R1.2 NCC1=NC=CN=C1 CS19691 [1,0,0,0,0,0|3,0,0]=4 110 B8R1.2 NCC1=NC=CN=C1 CS20245 [1,0,0,0,0,0|3,0,0]=4 111 B8R1.2 NCC1=NC=NC=C1 MC444325 [1,0,0,0,0,0|3,0,0]=4 112 B8R1.2 NNC1=CC=CC=C1 CS15210 [1,0,0,0,0,0|2,0,0]=3 113 B8R1.2 NNC1=CC=CC=C1 MC427075 [1,0,0,0,0,0|2,0,0]=3 114 B8R1.2 NNC1=CC=CN=C1 CS15491 [1,0,0,0,0,0|3,0,0]=4 115 B8R1.2 NNC1=CC=CN=C1 CS22308 [1,0,0,0,0,0|3,0,0]=4 116 B8R1.2 NNC1=CC=NC=C1 MC20777 [1,0,0,0,0,0|3,0,0]=4 117 B8R1.2 NNC1=NC=CC=C1 CS15589 [1,0,0,0,0,0|3,0,0]=4 118 B8R1.2 NNC1=NC=CC=C1 CS21573 [1,0,0,0,0,0|3,0,0]=4 119 B8R1.2 O=CC1=CN=CC=C1 CS19090 [1,0,0,0,0,0|1,1,1]=4 120 B8R1.2 O=CC1=NC=CC=C1 CS18610 [1,0,0,0,0,0|1,1,1]=4 121 B8R1.2 O=NC1=CC=CC=C1 MC33163 [1,0,0,0,0,0|1,1,0]=3 122 B8R1.2 OCC1=CC=CC=C1 MC40684 [1,0,0,0,0,0|0,1,0]=2 123 B8R1.2 OCC1=CC=CN=C1 CS22409 [1,0,0,0,0,0|1,1,0]=3 124 B8R1.2 OCC1=CC=CN=N1 CS21870 [1,0,0,0,0,0|2,1,0]=4 125 B8R1.2 OCC1=CC=NC=C1 CS19163 [1,0,0,0,0,0|1,1,0]=3 126 B8R1.2 OCC1=CN=CN=C1 MC444370 [1,0,0,0,0,0|2,1,0]=4 127 B8R1.2 OCC1=CN=NC=C1 MC444363 [1,0,0,0,0,0|2,1,0]=4 128 B8R1.2 OCC1=NC=CC=C1 CS19164 [1,0,0,0,0,0|1,1,0]=3 129 B8R1.2 OCC1=NC=CC=N1 CS19924 [1,0,0,0,0,0|2,1,0]=4 130 B8R1.2 OCC1=NC=CN=C1 CS21749 [1,0,0,0,0,0|2,1,0]=4 131 B8R1.2 OCC1=NC=NC=C1 CS11915 [1,0,0,0,0,0|2,1,0]=4 132 B8R1.2 SCC1=NC=CN=C1 MC110936 [1,0,0,0,0,0|2,0,0]=3 133 B10R1.13 C=C(C)C1=CC=C(O)C=C1 MC441020 [0,1,0,0,0,0|1,0,1]=3 134 B10R1.13 C=C(C)C1=CN=C(Cl)C=C1 MC107618 [0,1,0,0,0,0|2,0,1]=4 135 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 CS19447 [0,1,0,0,0,0|0,1,1]=3 136 B10R1.13 CC(=O)C1=CC=C(Br)N=C1 CS17999 [0,1,0,0,0,0|1,1,1]=4 137 B10R1.13 CC(=O)C1=CC=C(C)C=C1 CS13558 [0,1,0,0,0,0|0,1,1]=3 138 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 CS20014 [0,1,0,0,0,0|0,1,1]=3 139 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 CS19687 [0,1,0,0,0,0|1,1,1]=4 140 B10R1.13 CC(=O)C1=CC=C(F)C=C1 CS14299 [0,1,0,0,0,0|0,1,1]=3 141 B10R1.13 CC(=O)C1=CC=C(F)N=C1 CS16982 [0,1,0,0,0,0|1,1,1]=4 142 B10R1.13 CC(=O)C1=CC=C(N)C=C1 MC20162 [0,1,0,0,0,0|0,1,1]=3 143 B10R1.13 CC(=O)C1=CC=C(O)C=C1 CS22884 [0,1,0,0,0,0|0,1,1]=3 144 B10R1.13 CC(=O)C1=CC=C(O)N=C1 CS12692 [0,1,0,0,0,0|1,1,1]=4 145 B10R1.13 CC(=O)C1=CN=C(C)C=C1 MC428167 [0,1,0,0,0,0|1,1,1]=4 146 B10R1.13 CC(=O)C1=NC=C(Br)C=C1 CS16977 [0,1,0,0,0,0|1,1,1]=4 147 B10R1.13 CC(=O)C1=NC=C(C)C=C1 MC443649 [0,1,0,0,0,0|1,1,1]=4 148 B10R1.13 CC(=O)C1=NC=C(Cl)C=C1 CS16979 [0,1,0,0,0,0|1,1,1]=4 149 B10R1.13 CC(=O)C1=NC=C(F)C=C1 MC106404 [0,1,0,0,0,0|1,1,1]=4 150 B10R1.13 CC(=O)C1=NC=C(N)C=C1 MC442802 [0,1,0,0,0,0|1,1,1]=4 151 B10R1.13 CC(=O)c1ccc(I)cc1 MC433245 [0,1,0,0,0,0|0,1,1]=3 152 B10R1.13 CC(Br)C1=CC=C(F)C=C1 CS16140 [0,1,0,0,0,0|1,0,0]=2 153 B10R1.13 CC(C)C1=CC=C(Br)C=C1 CS19162 [0,1,0,0,0,0|1,0,0]=2 154 B10R1.13 CC(C)C1=CC=C(Cl)N=N1 CS15951 [0,1,0,0,0,0|3,0,0]=4 155 B10R1.13 CC(C)C1=CC=C(N)C=C1 CS22915 [0,1,0,0,0,0|1,0,0]=2 156 B10R1.13 CC(C)C1=CC=C(N)C=N1 CS22406 [0,1,0,0,0,0|2,0,0]=3 157 B10R1.13 CC(C)C1=CN=C(Br)C=C1 MC432364 [0,1,0,0,0,0|2,0,0]=3 158 B10R1.13 CC(C)C1=CN=C(Cl)C=C1 MC107619 [0,1,0,0,0,0|2,0,0]=3 159 B10R1.13 CC(C)C1=CN=C(Cl)N=C1 MC113225 [0,1,0,0,0,0|3,0,0]=4 160 B10R1.13 CC(C)C1=CN=C(N)C=C1 CS21752 [0,1,0,0,0,0|2,0,0]=3 161 B10R1.13 CC(C)C1=NC=C(Br)C=N1 MC441127 [0,1,0,0,0,0|3,0,0]=4 162 B10R1.13 CC(N)C1=CC=C(Br)C=C1 CS10540 [0,1,0,0,0,0|1,0,0]=2 163 B10R1.13 CC(N)C1=CC=C(Br)C=C1 CS20256 [0,1,0,0,0,0|1,0,0]=2 164 B10R1.13 CC(N)C1=CC=C(F)C=C1 CS19253 [0,1,0,0,0,0|1,0,0]=2 165 B10R1.13 CC(N)C1=CC=C(F)C=C1 MC40832 [0,1,0,0,0,0|1,0,0]=2 166 B10R1.13 CC(N)C1=CC=C(F)C=C1 MC429424 [0,1,0,0,0,0|1,0,0]=2 167 B10R1.13 CC(N)C1=CC=C(I)C=C1 MC113505 [0,1,0,0,0,0|1,0,0]=2 168 B10R1.13 CC(N)C1=CC=C(N)C=C1 CS22422 [0,1,0,0,0,0|1,0,0]=2 169 B10R1.13 CC(N)C1=CN=C(Cl)N=C1 MC444001 [0,1,0,0,0,0|3,0,0]=4 170 B10R1.13 CC(N)C1=NC=C(F)C=C1 CS16980 [0,1,0,0,0,0|2,0,0]=3 171 B10R1.13 CC(N)C1=NC=C(F)C=C1 MC102962 [0,1,0,0,0,0|2,0,0]=3 172 B10R1.13 CC(N)C1=NC=C(F)C=N1 MC104532 [0,1,0,0,0,0|3,0,0]=4 173 B10R1.13 CC(N)c1ccc(Cl)cc1 MC433903 [0,1,0,0,0,0|1,0,0]=2 174 B10R1.13 CC(O)C1=CC=C(F)C=C1 MC33129 [0,1,0,0,0,0|0,1,0]=2 175 B10R1.13 CC(O)C1=CC=C(N)C=C1 MC40728 [0,1,0,0,0,0|0,1,0]=2 176 B10R1.13 CC1=CC=C(B(O)O)C=C1 CS10128 [0,1,0,0,0,0|2,1,0]=4 177 B10R1.13 CC1=CC=C(C(=N)N)C=C1 CS20439 [0,1,0,0,0,0|2,0,1]=4 178 B10R1.13 CC1=CC=C(C(=O)Cl)C=C1 MC40494 [0,1,0,0,0,0|1,1,1]=4 179 B10R1.13 CC1=CC=C(C(=O)O)C=C1 MC40304 [0,1,0,0,0,0|1,1,1]=4 180 B10R1.13 CC1=CC=C(C(N)=O)C=C1 CS11895 [0,1,0,0,0,0|1,1,1]=4 181 B10R1.13 CC1=CC=C(S(=O)[O-])C=C1 CS11896 [0,1,0,0,0,0|2,1,0]=4 182 B10R1.13 CC1=CC=C(S(N)=O)C=C1 CS18822 [0,1,0,0,0,0|2,1,0]=4 183 B10R1.13 CC1=NC=C(C(C)N)C=N1 MC112001 [0,1,0,0,0,0|3,0,0]=4 184 B10R1.13 CN(C)C1=CC=C(Br)C=C1 CS15132 [0,1,0,0,0,0|2,0,0]=3 185 B10R1.13 CN(C)C1=CC=C(Br)N=C1 CS17769 [0,1,0,0,0,0|3,0,0]=4 186 B10R1.13 CN(C)C1=CC=C(Cl)C=C1 MC20289 [0,1,0,0,0,0|2,0,0]=3 187 B10R1.13 CN(C)C1=CC=C(I)C=C1 CS16430 [0,1,0,0,0,0|2,0,0]=3 188 B10R1.13 CN(C)C1=CC=C(O)C=C1 CS16528 [0,1,0,0,0,0|2,0,0]=3 189 B10R1.13 CN(C)C1=CC=C(O)C=C1 MC442505 [0,1,0,0,0,0|2,0,0]=3 190 B10R1.13 CN(C)C1=NC=C(Br)C=C1 MC425751 [0,1,0,0,0,0|3,0,0]=4 191 B10R1.13 CN(C)C1=NC=C(I)C=C1 CS16969 [0,1,0,0,0,0|3,0,0]=4 192 B10R1.13 CN(C)C1=NC=C(N)C=C1 MC427118 [0,1,0,0,0,0|3,0,0]=4 193 B10R1.13 CN(C)C1=NC=C(N)C=C1 MC427390 [0,1,0,0,0,0|3,0,0]=4 194 B10R1.13 Cc1ccc(C(C)C)cc1 MC444976 [0,1,0,0,0,0|1,0,0]=2 195 B10R1.13 FC(F)C1=CC=C(Br)C=C1 MC33151 [0,1,0,0,0,0|2,0,0]=3 196 B10R1.13 FC(F)C1=CN=C(Br)C=C1 MC429307 [0,1,0,0,0,0|3,0,0]=4 197 B10R1.13 FC(F)C1=CN=C(Cl)C=C1 MC429162 [0,1,0,0,0,0|3,0,0]=4 198 B10R1.13 FC(F)C1=NC=C(Br)C=C1 MC429792 [0,1,0,0,0,0|3,0,0]=4 199 B10R1.13 FC1=CC=C(C(Cl)Cl)C=C1 MC33143 [0,1,0,0,0,0|2,0,0]=3 200 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 MC21022 [0,1,0,0,0,0|2,0,1]=4 201 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 CS20283 [0,1,0,0,0,0|2,0,1]=4 202 B10R1.13 N=C(N)C1=CC=C(F)C=C1 CS18318 [0,1,0,0,0,0|2,0,1]=4 203 B10R1.13 N=C(N)C1=CC=C(N)C=C1 CS21974 [0,1,0,0,0,0|2,0,1]=4 204 B10R1.13 NC(=O)C1=CC=C(F)C=C1 CS10426 [0,1,0,0,0,0|1,1,1]=4 205 B10R1.13 NC(=S)C1=CC=C(O)C=C1 CS20343 [0,1,0,0,0,0|1,0,2]=4 206 B10R1.13 NC1=CC=C(B(O)O)C=C1 CS19513 [0,1,0,0,0,0|2,1,0]=4 207 B10R1.13 NC1=CC=C(B(O)O)C=C1 MC442888 [0,1,0,0,0,0|2,1,0]=4 208 B10R1.13 NC1=CC=C(C(=O)O)C=C1 MC40224 [0,1,0,0,0,0|1,1,1]=4 209 B10R1.13 NC1=CC=C(C(=O)[O-])C=C1 CS22580 [0,1,0,0,0,0|1,1,1]=4 210 B10R1.13 NC1=CC=C(C(F)F)C=C1 CS17592 [0,1,0,0,0,0|2,0,0]=3 211 B10R1.13 NC1=CC=C(C(F)F)N=C1 CS16709 [0,1,0,0,0,0|3,0,0]=4 212 B10R1.13 NC1=CC=C([N+](=O)[O-])C=C1 MC40934 [0,1,0,0,0,0|2,1,0]=4 213 B10R1.13 O=C(Cl)C1=CC=C(Br)C=C1 MC40440 [0,1,0,0,0,0|1,1,1]=4 214 B10R1.13 O=C(Cl)C1=CC=C(F)C=C1 MC40474 [0,1,0,0,0,0|1,1,1]=4 215 B10R1.13 O=C(Cl)C1=CC=C(I)C=C1 MC433701 [0,1,0,0,0,0|1,1,1]=4 216 B10R1.13 O=C(O)C1=CC=C(Br)C=C1 CS20082 [0,1,0,0,0,0|1,1,1]=4 217 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 CS15821 [0,1,0,0,0,0|1,1,1]=4 218 B10R1.13 O=C(O)C1=CC=C(F)C=C1 MC40280 [0,1,0,0,0,0|1,1,1]=4 219 B10R1.13 O=C(O)C1=CC=C(I)C=C1 CS20135 [0,1,0,0,0,0|1,1,1]=4 220 B10R1.13 O=C(O)C1=CC=C(O)C=C1 CS22885 [0,1,0,0,0,0|1,1,1]=4 221 B10R1.13 O=C([O-])C1=CC=C(Br)C=C1 MC40334 [0,1,0,0,0,0|1,1,1]=4 222 B10R1.13 O=C([O-])C1=CC=C(Cl)C=C1 MC40337 [0,1,0,0,0,0|1,1,1]=4 223 B10R1.13 O=C([O-])C1=CC=C(F)C=C1 MC40351 [0,1,0,0,0,0|1,1,1]=4 224 B10R1.13 O=C1C=CC(C(F)F)=CN1 MC432336 [0,1,0,0,0,0|3,0,0]=4 225 B10R1.13 O=[N+]([O-])C1=CC=C(Br)C=C1 CS18786 [0,1,0,0,0,0|2,1,0]=4 226 B10R1.13 O=[N+]([O-])C1=CC=C(F)C=C1 CS22843 [0,1,0,0,0,0|2,1,0]=4 227 B10R1.13 O=[N+]([O-])C1=CC=C(I)C=C1 CS19234 [0,1,0,0,0,0|2,1,0]=4 228 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=C1 MC41207 [0,1,0,0,0,0|2,1,0]=4 229 B10R1.13 O=[N+]([O-])c1ccc(Cl)cc1 MC41577 [0,1,0,0,0,0|2,1,0]=4 230 B10R1.13 OB(O)C1=CC=C(Br)C=C1 CS19222 [0,1,0,0,0,0|2,1,0]=4 231 B10R1.13 OB(O)C1=CC=C(Cl)C=C1 CS19227 [0,1,0,0,0,0|2,1,0]=4 232 B10R1.13 OB(O)C1=CC=C(F)C=C1 CS23000 [0,1,0,0,0,0|2,1,0]=4 233 B10R1.13 OB(O)C1=CC=C(I)C=C1 CS22011 [0,1,0,0,0,0|2,1,0]=4 234 B10R1.13 OB(O)C1=CC=C(O)C=C1 CS19452 [0,1,0,0,0,0|2,1,0]=4 235 B10R1.13 OB(O)C1=CC=C(S)C=C1 MC20067 [0,1,0,0,0,0|2,1,0]=4 236 B10R1.13 OC1=CC=C(C(F)F)C=C1 CS15692 [0,1,0,0,0,0|2,0,0]=3 237 B10R1.13 OC1=CC=C(C(F)F)N=C1 MC429310 [0,1,0,0,0,0|3,0,0]=4 238 B10R1.15 C#CC(O)C1=CC=NC=C1 CS16716 [0,1,0,0,0,0|1,1,1]=4 239 B10R1.15 C=C(C#N)C1=CC=CC=C1 MC106124 [0,1,0,0,0,0|1,0,2]=4 240 B10R1.15 C=C(CBr)C1=CC=CC=C1 CS20091 [0,1,0,0,0,0|1,0,1]=3 241 B10R1.15 C=CC(N)C1=CC=CC=C1 MC102512 [0,1,0,0,0,0|1,0,1]=3 242 B10R1.15 CC(CN)C1=CC=CC=C1 CS10909 [0,1,0,0,0,0|1,0,0]=2 243 B10R1.15 CC(CN)c1ccccc1 MC110750 [0,1,0,0,0,0|1,0,0]=2 244 B10R1.15 CC(NO)c1ccccc1 MC103844 [0,1,0,0,0,0|0,1,0]=2 245 B10R1.15 CC(NO)c1ccccc1 MC103845 [0,1,0,0,0,0|0,1,0]=2 246 B10R1.15 CCC(C)C1=CC=CC=C1 CS11947 [0,1,0,0,0,0|1,0,0]=2 247 B10R1.15 CCC(C)C1=CC=CC=C1 MC433489 [0,1,0,0,0,0|1,0,0]=2 248 B10R1.15 CCC(N)C1=CC=CC=C1 MC20337 [0,1,0,0,0,0|1,0,0]=2 249 B10R1.15 CCC(N)C1=NC=CN=C1 MC104764 [0,1,0,0,0,0|3,0,0]=4 250 B10R1.15 CN(C=O)C1=CC=CC=C1 CS11793 [0,1,0,0,0,0|1,1,0]=3 251 B10R1.15 COC(=N)C1=NC=CC=C1 MC106728 [0,1,0,0,0,0|2,0,1]=4 252 B10R1.15 COC(=O)C1=CC=CC=C1 MC40065 [0,1,0,0,0,0|0,1,1]=3 253 B10R1.15 COC(=O)C1=CC=NC=C1 CS18945 [0,1,0,0,0,0|1,1,1]=4 254 B10R1.15 COC(=O)C1=CN=CC=C1 CS19425 [0,1,0,0,0,0|1,1,1]=4 255 B10R1.15 COC(=O)C1=NC=CC=C1 CS19684 [0,1,0,0,0,0|1,1,1]=4 256 B10R1.15 C\C(=C\Br)C1=CC=NC=C1 MC111870 [0,1,0,0,0,0|2,0,1]=4 257 B10R1.15 FC(CBr)C1=CC=CC=C1 MC102769 [0,1,0,0,0,0|1,0,0]=2 258 B10R1.15 N#CC(N)C1=CC=CC=C1 MC31161 [0,1,0,0,0,0|1,0,1]=3 259 B10R1.15 NC(CO)C1=CC=CC=C1 CS10553 [0,1,0,0,0,0|1,0,0]=2 260 B10R1.15 NC(CO)C1=CC=CC=C1 CS10555 [0,1,0,0,0,0|1,0,0]=2 261 B10R1.15 NC(CO)C1=CC=CC=C1 CS15860 [0,1,0,0,0,0|1,0,0]=2 262 B10R1.15 NC(CO)C1=NC=CC=C1 MC111155 [0,1,0,0,0,0|2,0,0]=3 263 B10R1.15 NCC(=O)C1=CC=CC=C1 CS10874 [0,1,0,0,0,0|0,1,1]=3 264 B10R1.15 NCC(=O)C1=NC=CC=C1 MC33498 [0,1,0,0,0,0|1,1,1]=4 265 B10R1.15 NCC(O)C1=CC=CC=C1 CS20485 [0,1,0,0,0,0|0,1,0]=2 266 B10R1.15 NCC(O)C1=CC=CC=C1 MC444625 [0,1,0,0,0,0|0,1,0]=2 267 B10R1.15 NCC(O)C1=CC=CN=C1 MC103058 [0,1,0,0,0,0|1,1,0]=3 268 B10R1.15 NCC(O)C1=NC=CC=C1 MC33503 [0,1,0,0,0,0|1,1,0]=3 269 B10R1.15 NNC(=O)C1=CC=CC=C1 CS10971 [0,1,0,0,0,0|1,1,1]=4 270 B10R1.15 O=C(CBr)C1=CC=CC=C1 CS19274 [0,1,0,0,0,0|0,1,1]=3 271 B10R1.15 O=C(CBr)C1=CC=CN=C1 MC42216 [0,1,0,0,0,0|1,1,1]=4 272 B10R1.15 O=C(CBr)C1=CC=NC=C1 CS20175 [0,1,0,0,0,0|1,1,1]=4 273 B10R1.15 O=C(CCl)C1=CC=CC=C1 MC20159 [0,1,0,0,0,0|0,1,1]=3 274 B10R1.15 O=C(CI)C1=CC=CC=C1 MC433244 [0,1,0,0,0,0|0,1,1]=3 275 B10R1.15 OC(CBr)C1=CC=CC=C1 CS18840 [0,1,0,0,0,0|0,1,0]=2 276 B10R1.15 OC(CCl)C1=CC=CN=C1 MC103059 [0,1,0,0,0,0|1,1,0]=3 277 B10R1.15 OCC(F)C1=CC=CC=C1 MC430923 [0,1,0,0,0,0|1,0,0]=2 278 B10R1.28 CC(C)(C)C1=CC=CC=C1 MC41559 [0,1,0,0,0,0|1,0,0]=2 279 B10R1.28 CC(C)(C)C1=CC=CN=C1 MC430933 [0,1,0,0,0,0|2,0,0]=3 280 B10R1.28 CC(C)(C)C1=CC=NC=C1 CS10123 [0,1,0,0,0,0|2,0,0]=3 281 B10R1.28 CC(C)(N)C1=NC=CC=C1 MC430649 [0,1,0,0,0,0|2,0,0]=3 282 B10R1.28 CC(C)(O)C1=NC=CC=C1 MC443311 [0,1,0,0,0,0|1,1,0]=3 283 B10R1.28 CS(=O)(=O)C1=CC=CC=C1 MC100403 [0,1,0,0,0,0|1,1,0]=3 284 B10R1.28 CS(=O)(=O)C1=CC=NC=C1 MC33441 [0,1,0,0,0,0|2,1,0]=4 285 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 CS12052 [0,1,0,0,0,0|2,0,0]=3 286 B10R1.28 C[Si](C)(C)C1=NC=CC=C1 MC445195 [0,1,0,0,0,0|2,1,0]=4 287 B10R1.28 C[Si](C)(Cl)C1=CC=CC=C1 CS11135 [0,1,0,0,0,0|1,1,0]=3 288 B10R1.28 FC(F)(F)C1=CC=CC=C1 MC41418 [0,1,0,0,0,0|2,0,0]=3 289 B10R1.28 FC(F)(F)C1=CC=CN=C1 CS21890 [0,1,0,0,0,0|3,0,0]=4 290 B10R1.28 FC(F)(F)C1=CC=NC=C1 MC429599 [0,1,0,0,0,0|3,0,0]=4 291 B10R1.28 FC(F)(F)C1=NC=CC=C1 CS19017 [0,1,0,0,0,0|3,0,0]=4 292 B10R1.28 NS(=O)(=O)C1=CC=CC=C1 CS10507 [0,1,0,0,0,0|2,1,0]=4 293 B10R1.28 O=P(Cl)(Cl)C1=CC=CC=C1 MC20369 [0,1,0,0,0,0|2,1,0]=4 294 B10R1.28 O=S(=O)([O-])C1=CC=CC=C1 CS19698 [0,1,0,0,0,0|2,1,0]=4 295 B10R1.61 BrC1=C(C(Br)Br)C=CN=C1 MC427535 [0,1,0,0,0,0|3,0,0]=4 296 B10R1.61 CC(=O)C1=C(Br)C=CC=C1 CS18866 [0,1,0,0,0,0|0,1,1]=3 297 B10R1.61 CC(=O)C1=C(C)C=CC=C1 CS19710 [0,1,0,0,0,0|0,1,1]=3 298 B10R1.61 CC(=O)C1=C(Cl)C=CC=C1 MC41234 [0,1,0,0,0,0|0,1,1]=3 299 B10R1.61 CC(=O)C1=C(F)C=CC=C1 CS15490 [0,1,0,0,0,0|0,1,1]=3 300 B10R1.61 CC(=O)C1=C(F)C=NC=C1 MC113260 [0,1,0,0,0,0|1,1,1]=4 301 B10R1.61 CC(=O)C1=C(N)C=CC=C1 CS19948 [0,1,0,0,0,0|0,1,1]=3 302 B10R1.61 CC(=O)C1=C(N)C=NC=C1 MC427146 [0,1,0,0,0,0|1,1,1]=4 303 B10R1.61 CC(=O)C1=C(O)C=CC=C1 CS15026 [0,1,0,0,0,0|0,1,1]=3 304 B10R1.61 CC(=O)C1=C(O)C=NC=C1 MC427306 [0,1,0,0,0,0|1,1,1]=4 305 B10R1.61 CC(=O)C1=CC=CN=C1Br CS18506 [0,1,0,0,0,0|1,1,1]=4 306 B10R1.61 CC(=O)C1=CC=CN=C1Cl CS18365 [0,1,0,0,0,0|1,1,1]=4 307 B10R1.61 CC(=O)C1=CC=CN=C1O MC427454 [0,1,0,0,0,0|1,1,1]=4 308 B10R1.61 CC(=O)C1=NC=CC=C1Br CS16209 [0,1,0,0,0,0|1,1,1]=4 309 B10R1.61 CC(=O)C1=NC=CC=C1Cl MC425055 [0,1,0,0,0,0|1,1,1]=4 310 B10R1.61 CC(=O)C1=NC=CC=C1F CS16198 [0,1,0,0,0,0|1,1,1]=4 311 B10R1.61 CC(=O)C1=NC=CC=C1O CS14450 [0,1,0,0,0,0|1,1,1]=4 312 B10R1.61 CC(C)C1=C(Br)C=CC=C1 CS19988 [0,1,0,0,0,0|1,0,0]=2 313 B10R1.61 CC(C)C1=CN=CN=C1Cl CS15913 [0,1,0,0,0,0|3,0,0]=4 314 B10R1.61 CC(C)C1=NC=CC=C1Br MC441304 [0,1,0,0,0,0|2,0,0]=3 315 B10R1.61 CC(C)C1=NC=CC=C1N MC445692 [0,1,0,0,0,0|2,0,0]=3 316 B10R1.61 CC(N)C1=C(Br)C=CC=C1 CS20301 [0,1,0,0,0,0|1,0,0]=2 317 B10R1.61 CC(N)C1=C(F)C=CC=C1 CS20318 [0,1,0,0,0,0|1,0,0]=2 318 B10R1.61 CC(N)C1=C(F)C=CC=C1 MC429423 [0,1,0,0,0,0|1,0,0]=2 319 B10R1.61 CC(N)C1=NC=CC=C1F MC430350 [0,1,0,0,0,0|2,0,0]=3 320 B10R1.61 CC(O)C1=C(Cl)C=CC=C1 CS13547 [0,1,0,0,0,0|0,1,0]=2 321 B10R1.61 CC(O)C1=C(F)C=CC=C1 CS15513 [0,1,0,0,0,0|0,1,0]=2 322 B10R1.61 CC(O)C1=C(F)C=CC=C1 MC33138 [0,1,0,0,0,0|0,1,0]=2 323 B10R1.61 CC1=C(B(O)O)C=CC=C1 CS20397 [0,1,0,0,0,0|2,1,0]=4 324 B10R1.61 CC1=C(C(=O)O)C=CC=C1 CS19823 [0,1,0,0,0,0|1,1,1]=4 325 B10R1.61 CC1=C([N+](=O)[O-])C=CC=C1 MC41522 [0,1,0,0,0,0|2,1,0]=4 326 B10R1.61 CN(C)C1=C(Br)C=CC=C1 MC20183 [0,1,0,0,0,0|2,0,0]=3 327 B10R1.61 CN(C)C1=C(Cl)C=CC=C1 MC20288 [0,1,0,0,0,0|2,0,0]=3 328 B10R1.61 CN(C)C1=C(F)C=CC=C1 MC20285 [0,1,0,0,0,0|2,0,0]=3 329 B10R1.61 CN(C)C1=C(O)C=CC=C1 CS14782 [0,1,0,0,0,0|2,0,0]=3 330 B10R1.61 CN(C)C1=CC=CC=C1N CS14204 [0,1,0,0,0,0|2,0,0]=3 331 B10R1.61 Cc1ccccc1C(C)Br MC106119 [0,1,0,0,0,0|1,0,0]=2 332 B10R1.61 FC(F)C1=C(Br)C=CN=C1 MC429545 [0,1,0,0,0,0|3,0,0]=4 333 B10R1.61 FC(F)C1=C(Br)C=NC=C1 MC429163 [0,1,0,0,0,0|3,0,0]=4 334 B10R1.61 FC(F)C1=C(Cl)C=CN=C1 MC432239 [0,1,0,0,0,0|3,0,0]=4 335 B10R1.61 FC(F)C1=NC=CC=C1Br MC430238 [0,1,0,0,0,0|3,0,0]=4 336 B10R1.61 NC(=O)C1=C(Br)C=CC=C1 CS20174 [0,1,0,0,0,0|1,1,1]=4 337 B10R1.61 NC(=O)C1=C(F)C=CC=C1 MC41021 [0,1,0,0,0,0|1,1,1]=4 338 B10R1.61 NC(=O)C1=C(I)C=CC=C1 MC433808 [0,1,0,0,0,0|1,1,1]=4 339 B10R1.61 NC(=O)C1=C(O)C=CC=C1 CS11941 [0,1,0,0,0,0|1,1,1]=4 340 B10R1.61 NC1=C(B(O)O)C=CC=C1 CS19508 [0,1,0,0,0,0|2,1,0]=4 341 B10R1.61 NC1=C(C(F)F)C=CC=C1 MC429268 [0,1,0,0,0,0|2,0,0]=3 342 B10R1.61 NC1=C([N+](=O)[O-])C=CC=C1 MC40933 [0,1,0,0,0,0|2,1,0]=4 343 B10R1.61 O=C(Cl)C1=C(Br)C=CC=C1 MC40438 [0,1,0,0,0,0|1,1,1]=4 344 B10R1.61 O=C(Cl)C1=C(F)C=CC=C1 MC40472 [0,1,0,0,0,0|1,1,1]=4 345 B10R1.61 O=C(Cl)C1=C(I)C=CC=C1 CS19188 [0,1,0,0,0,0|1,1,1]=4 346 B10R1.61 O=C(O)C1=C(Br)C=CC=C1 CS16216 [0,1,0,0,0,0|1,1,1]=4 347 B10R1.61 O=C(O)C1=C(F)C=CC=C1 CS10366 [0,1,0,0,0,0|1,1,1]=4 348 B10R1.61 O=C(O)C1=C(I)C=CC=C1 CS20137 [0,1,0,0,0,0|1,1,1]=4 349 B10R1.61 O=C(O)C1=C(O)C=CC=C1 MC40289 [0,1,0,0,0,0|1,1,1]=4 350 B10R1.61 O=C(O)C1=C(S)C=CC=C1 MC40297 [0,1,0,0,0,0|1,1,1]=4 351 B10R1.61 O=C([O-])C1=C(Cl)C=CC=C1 MC40335 [0,1,0,0,0,0|1,1,1]=4 352 B10R1.61 O=C([O-])C1=C(F)C=CC=C1 MC40349 [0,1,0,0,0,0|1,1,1]=4 353 B10R1.61 O=[N+]([O-])C1=C(Br)C=CC=C1 CS22913 [0,1,0,0,0,0|2,1,0]=4 354 B10R1.61 O=[N+]([O-])C1=C(O)C=CC=C1 CS21724 [0,1,0,0,0,0|2,1,0]=4 355 B10R1.61 O=[N+]([O-])c1ccccc1F MC41584 [0,1,0,0,0,0|2,1,0]=4 356 B10R1.61 O=[N+]([O-])c1ccccc1F MC433531 [0,1,0,0,0,0|2,1,0]=4 357 B10R1.61 O=[N+]([O-])c1ccccc1I MC41585 [0,1,0,0,0,0|2,1,0]=4 358 B10R1.61 OB(O)C1=C(Br)C=CC=C1 CS21842 [0,1,0,0,0,0|2,1,0]=4 359 B10R1.61 OB(O)C1=C(Cl)C=CC=C1 CS19224 [0,1,0,0,0,0|2,1,0]=4 360 B10R1.61 OB(O)C1=C(F)C=CC=C1 CS16291 [0,1,0,0,0,0|2,1,0]=4 361 B10R1.61 OB(O)C1=C(I)C=CC=C1 MC443194 [0,1,0,0,0,0|2,1,0]=4 362 B10R1.61 OB(O)C1=C(O)C=CC=C1 CS21880 [0,1,0,0,0,0|2,1,0]=4 363 B10R1.61 OB(O)C1=C(S)C=CC=C1 MC100433 [0,1,0,0,0,0|2,1,0]=4 364 B10R1.113 C=C(C)C1=CN=CC(Br)=C1 CS14839 [0,1,0,0,0,0|2,0,1]=4 365 B10R1.113 C=C(C)C1=CN=CC(Br)=C1 MC113271 [0,1,0,0,0,0|2,0,1]=4 366 B10R1.113 CC(=O)C1=CC(Br)=CC=C1 CS18865 [0,1,0,0,0,0|0,1,1]=3 367 B10R1.113 CC(=O)C1=CC(Br)=CN=C1 CS18282 [0,1,0,0,0,0|1,1,1]=4 368 B10R1.113 CC(=O)C1=CC(C)=CN=C1 CS16656 [0,1,0,0,0,0|1,1,1]=4 369 B10R1.113 CC(=O)C1=CC(C)=NC=C1 CS18206 [0,1,0,0,0,0|1,1,1]=4 370 B10R1.113 CC(=O)C1=CC(Cl)=CC=C1 CS19798 [0,1,0,0,0,0|0,1,1]=3 371 B10R1.113 CC(=O)C1=CC(Cl)=CN=C1 MC116273 [0,1,0,0,0,0|1,1,1]=4 372 B10R1.113 CC(=O)C1=CC(F)=CC=C1 CS19067 [0,1,0,0,0,0|0,1,1]=3 373 B10R1.113 CC(=O)C1=CC(F)=CN=C1 MC443199 [0,1,0,0,0,0|1,1,1]=4 374 B10R1.113 CC(=O)C1=CC(I)=CC=C1 MC33049 [0,1,0,0,0,0|0,1,1]=3 375 B10R1.113 CC(=O)C1=CC(N)=CC=C1 CS19441 [0,1,0,0,0,0|0,1,1]=3 376 B10R1.113 CC(=O)C1=CC(O)=CC=C1 CS18681 [0,1,0,0,0,0|0,1,1]=3 377 B10R1.113 CC(=O)C1=CC=CC(C)=C1 CS19159 [0,1,0,0,0,0|0,1,1]=3 378 B10R1.113 CC(=O)C1=NC(Br)=CC=C1 CS17202 [0,1,0,0,0,0|1,1,1]=4 379 B10R1.113 CC(=O)C1=NC(C)=CC=C1 CS18426 [0,1,0,0,0,0|1,1,1]=4 380 B10R1.113 CC(=O)C1=NC=CC(Cl)=C1 MC441210 [0,1,0,0,0,0|1,1,1]=4 381 B10R1.113 CC(=O)C1=NC=CC(F)=C1 MC430529 [0,1,0,0,0,0|1,1,1]=4 382 B10R1.113 CC(C)C1=CC(N)=NC=N1 MC425906 [0,1,0,0,0,0|3,0,0]=4 383 B10R1.113 CC(C)C1=CC=CC(Br)=N1 MC434005 [0,1,0,0,0,0|2,0,0]=3 384 B10R1.113 CC(C)C1=CC=CC(N)=N1 MC425411 [0,1,0,0,0,0|2,0,0]=3 385 B10R1.113 CC(C)C1=NC=CC(Cl)=C1 MC431795 [0,1,0,0,0,0|2,0,0]=3 386 B10R1.113 CC(C)c1cccc(Br)c1 MC433484 [0,1,0,0,0,0|1,0,0]=2 387 B10R1.113 CC(N)C1=CC(Cl)=NC=C1 MC105378 [0,1,0,0,0,0|2,0,0]=3 388 B10R1.113 CC(N)C1=CC(F)=CC=C1 CS19312 [0,1,0,0,0,0|1,0,0]=2 389 B10R1.113 CC(N)C1=CC(F)=CC=C1 CS19671 [0,1,0,0,0,0|1,0,0]=2 390 B10R1.113 CC(N)C1=CC(F)=CC=C1 CS20262 [0,1,0,0,0,0|1,0,0]=2 391 B10R1.113 CC(N)C1=CC(F)=CC=C1 MC429421 [0,1,0,0,0,0|1,0,0]=2 392 B10R1.113 CC(N)C1=CC(F)=CN=C1 MC106300 [0,1,0,0,0,0|2,0,0]=3 393 B10R1.113 CC(N)C1=CC=CC(N)=C1 MC116025 [0,1,0,0,0,0|1,0,0]=2 394 B10R1.113 CC(N)C1=CC=CC(O)=C1 MC431437 [0,1,0,0,0,0|1,0,0]=2 395 B10R1.113 CC(O)C1=CC(Br)=CC=C1 MC40729 [0,1,0,0,0,0|0,1,0]=2 396 B10R1.113 CC(O)C1=CC(F)=CC=C1 MC433887 [0,1,0,0,0,0|0,1,0]=2 397 B10R1.113 CC(O)C1=CC(F)=NC=C1 MC432297 [0,1,0,0,0,0|1,1,0]=3 398 B10R1.113 CC(O)C1=CC(N)=CC=C1 CS21787 [0,1,0,0,0,0|0,1,0]=2 399 B10R1.113 CC(O)C1=CC(N)=NC=C1 MC425261 [0,1,0,0,0,0|1,1,0]=3 400 B10R1.113 CC(O)C1=NC(Br)=CC=C1 CS14015 [0,1,0,0,0,0|1,1,0]=3 401 B10R1.113 CC1=CC(B(O)O)=CC=C1 CS10529 [0,1,0,0,0,0|2,1,0]=4 402 B10R1.113 CC1=CC(C(C)N)=CC=C1 CS17345 [0,1,0,0,0,0|1,0,0]=2 403 B10R1.113 CC1=CC=CC(C(=N)N)=C1 CS20438 [0,1,0,0,0,0|2,0,1]=4 404 B10R1.113 CC1=CC=CC(C(=O)Cl)=C1 MC20748 [0,1,0,0,0,0|1,1,1]=4 405 B10R1.113 CC1=CC=CC(C(=O)O)=C1 CS19799 [0,1,0,0,0,0|1,1,1]=4 406 B10R1.113 CC1=CC=CC(C(O)=S)=C1 MC433710 [0,1,0,0,0,0|1,0,2]=4 407 B10R1.113 CC1=NC=CC(C(C)N)=C1 MC110560 [0,1,0,0,0,0|2,0,0]=3 408 B10R1.113 CN(C)C1=CC(Br)=CC=C1 MC40867 [0,1,0,0,0,0|2,0,0]=3 409 B10R1.113 CN(C)C1=CC(Br)=NC=C1 CS14908 [0,1,0,0,0,0|3,0,0]=4 410 B10R1.113 CN(C)C1=CC(Cl)=CC=C1 MC40885 [0,1,0,0,0,0|2,0,0]=3 411 B10R1.113 CN(C)C1=CC(Cl)=NC=C1 MC441248 [0,1,0,0,0,0|3,0,0]=4 412 B10R1.113 CN(C)C1=CC(F)=NC=C1 MC33464 [0,1,0,0,0,0|3,0,0]=4 413 B10R1.113 CN(C)C1=NC(Br)=CC=C1 MC442251 [0,1,0,0,0,0|3,0,0]=4 414 B10R1.113 CN(C)C1=NC=CC(Br)=C1 CS14905 [0,1,0,0,0,0|3,0,0]=4 415 B10R1.113 CN(C)C1=NC=CC(Cl)=C1 MC33456 [0,1,0,0,0,0|3,0,0]=4 416 B10R1.113 FC(F)C1=CC(Br)=NC=C1 MC429161 [0,1,0,0,0,0|3,0,0]=4 417 B10R1.113 FC(F)C1=CC(Cl)=NC=C1 MC431456 [0,1,0,0,0,0|3,0,0]=4 418 B10R1.113 FC(F)C1=CC=CC(Br)=C1 CS12583 [0,1,0,0,0,0|2,0,0]=3 419 B10R1.113 FC(F)C1=CC=CC(Br)=N1 MC432512 [0,1,0,0,0,0|3,0,0]=4 420 B10R1.113 FC(F)C1=CN=CC(Br)=C1 MC430250 [0,1,0,0,0,0|3,0,0]=4 421 B10R1.113 FC(F)C1=NC=CC(Br)=C1 CS17095 [0,1,0,0,0,0|3,0,0]=4 422 B10R1.113 FC(F)C1=NC=CC(Cl)=C1 MC430833 [0,1,0,0,0,0|3,0,0]=4 423 B10R1.113 Fc1cccc(C(F)F)c1 MC433518 [0,1,0,0,0,0|2,0,0]=3 424 B10R1.113 N=C(N)C1=CC(Br)=CC=C1 CS20273 [0,1,0,0,0,0|2,0,1]=4 425 B10R1.113 NC(=O)C1=CC(Br)=CC=C1 CS22167 [0,1,0,0,0,0|1,1,1]=4 426 B10R1.113 NC(=O)C1=CC(N)=CC=C1 MC433795 [0,1,0,0,0,0|1,1,1]=4 427 B10R1.113 NC1=CC(C(F)F)=CC=C1 MC429089 [0,1,0,0,0,0|2,0,0]=3 428 B10R1.113 NC1=CC(C(F)F)=NC=C1 MC432405 [0,1,0,0,0,0|3,0,0]=4 429 B10R1.113 NC1=CC([N+](=O)[O-])=CC=C1 CS22379 [0,1,0,0,0,0|2,1,0]=4 430 B10R1.113 NC1=CC=CC(B(O)O)=C1 CS11047 [0,1,0,0,0,0|2,1,0]=4 431 B10R1.113 NC1=CC=CC(B(O)O)=C1 CS18152 [0,1,0,0,0,0|2,1,0]=4 432 B10R1.113 NC1=CC=CC(B(O)O)=C1 CS19512 [0,1,0,0,0,0|2,1,0]=4 433 B10R1.113 NC1=CC=CC(B(O)O)=C1 MC20897 [0,1,0,0,0,0|2,1,0]=4 434 B10R1.113 NC1=CC=CC(C(=O)O)=C1 CS13396 [0,1,0,0,0,0|1,1,1]=4 435 B10R1.113 NC1=NC=CC(C(F)F)=C1 MC102708 [0,1,0,0,0,0|3,0,0]=4 436 B10R1.113 O=C(Cl)C1=CC(Br)=CC=C1 MC40439 [0,1,0,0,0,0|1,1,1]=4 437 B10R1.113 O=C(Cl)C1=CC(Cl)=CC=C1 MC40449 [0,1,0,0,0,0|1,1,1]=4 438 B10R1.113 O=C(Cl)C1=CC(F)=CC=C1 MC40473 [0,1,0,0,0,0|1,1,1]=4 439 B10R1.113 O=C(O)C1=CC(Br)=CC=C1 CS15122 [0,1,0,0,0,0|1,1,1]=4 440 B10R1.113 O=C(O)C1=CC(Cl)=CC=C1 CS14882 [0,1,0,0,0,0|1,1,1]=4 441 B10R1.113 O=C(O)C1=CC(F)=CC=C1 CS10368 [0,1,0,0,0,0|1,1,1]=4 442 B10R1.113 O=C(O)C1=CC(I)=CC=C1 CS10375 [0,1,0,0,0,0|1,1,1]=4 443 B10R1.113 O=C(O)C1=CC(O)=CC=C1 CS19800 [0,1,0,0,0,0|1,1,1]=4 444 B10R1.113 O=C(O)C1=CC(S)=CC=C1 MC20304 [0,1,0,0,0,0|1,1,1]=4 445 B10R1.113 O=C([O-])C1=CC(Cl)=CC=C1 MC40336 [0,1,0,0,0,0|1,1,1]=4 446 B10R1.113 O=C([O-])C1=CC(F)=CC=C1 MC40350 [0,1,0,0,0,0|1,1,1]=4 447 B10R1.113 O=[N+]([O-])C1=CC=CC(Br)=C1 CS20650 [0,1,0,0,0,0|2,1,0]=4 448 B10R1.113 O=[N+]([O-])C1=CC=CC(Cl)=C1 CS20664 [0,1,0,0,0,0|2,1,0]=4 449 B10R1.113 O=[N+]([O-])C1=CC=CC(F)=C1 CS20684 [0,1,0,0,0,0|2,1,0]=4 450 B10R1.113 O=[N+]([O-])C1=CC=CC(I)=C1 CS19240 [0,1,0,0,0,0|2,1,0]=4 451 B10R1.113 O=[N+]([O-])C1=CC=CC(O)=C1 CS22383 [0,1,0,0,0,0|2,1,0]=4 452 B10R1.113 OB(O)C1=CC(Br)=CC=C1 CS19219 [0,1,0,0,0,0|2,1,0]=4 453 B10R1.113 OB(O)C1=CC(Cl)=CC=C1 CS22999 [0,1,0,0,0,0|2,1,0]=4 454 B10R1.113 OB(O)C1=CC(F)=CC=C1 CS21930 [0,1,0,0,0,0|2,1,0]=4 455 B10R1.113 OB(O)C1=CC(O)=CC=C1 MC440047 [0,1,0,0,0,0|2,1,0]=4 456 B10R1.113 OC1=CC(C(F)F)=CC=C1 MC432160 [0,1,0,0,0,0|2,0,0]=3 457 B10R2.6 C1=CC=C(C2CO2)C=C1 MC20326 [0,0,0,1,0,0|0,1,0]=2 458 B10R2.6 C1=CC=C(C2CO2)C=C1 MC445226 [0,0,0,1,0,0|0,1,0]=2 459 B8R1.7 CC(=O)C1=CC=CO1 CS18634 [0,0,0,0,1,0|1,1,1]=4 460 B8R1.7 CC(=O)C1=CC=CS1 CS19387 [0,0,0,0,1,0|1,1,1]=4 461 B8R1.7 CC(=O)C1=CSC=C1 CS18739 [0,0,0,0,1,0|1,1,1]=4 462 B8R1.7 CC(C)C1=CC=CO1 MC428131 [0,0,0,0,1,0|2,0,0]=3 463 B8R1.7 CC(C)C1=NC=CN1 CS21624 [0,0,0,0,1,0|3,0,0]=4 464 B8R1.7 CC(N)C1=NC=CS1 MC446644 [0,0,0,0,1,0|3,0,0]=4 465 B8R1.7 CC(O)C1=CN=CS1 MC116219 [0,0,0,0,1,0|2,1,0]=4 466 B8R1.7 CC(O)[C-]1C=CC=C1 MC440406 [0,0,0,0,1,0|0,1,1]=3 467 B8R1.7 CC(O)[C-]1C=CC=C1 MC440409 [0,0,0,0,1,0|0,1,1]=3 468 B10R1.18 BrC(Br)=CC1=CC=CC=C1 CS16193 [0,0,0,0,0,1|2,0,1]=4 469 B10R1.18 CC(=O)CC1=CC=CN=C1 MC102696 [0,0,0,0,0,1|1,1,1]=4 470 B10R1.18 CC(=O)CC1=CC=NC=C1 CS20988 [0,0,0,0,0,1|1,1,1]=4 471 B10R1.18 CC(=O)CC1=NC=CC=C1 CS20802 [0,0,0,0,0,1|1,1,1]=4 472 B10R1.18 CC(=O)NC1=CC=CC=C1 MC34102 [0,0,0,0,0,1|0,1,1]=3 473 B10R1.18 CC(Br)CC1=CC=CC=C1 MC41813 [0,0,0,0,0,1|1,0,0]=2 474 B10R1.18 CC(C)NC1=CC=CC=C1 CS11787 [0,0,0,0,0,1|1,0,0]=2 475 B10R1.18 CC(C)OC1=CC=CC=C1 MC41360 [0,0,0,0,0,1|1,0,0]=2 476 B10R1.18 FC(F)OC1=CC=CC=C1 MC41385 [0,0,0,0,0,1|2,0,0]=3 477 B10R1.18 FC(F)OC1=NC=CC=C1 MC116213 [0,0,0,0,0,1|3,0,0]=4 478 B10R1.18 FC(F)SC1=CC=CC=C1 MC428027 [0,0,0,0,0,1|2,0,0]=3 479 B10R1.18 NC(=O)NC1=CC=CC=C1 CS10533 [0,0,0,0,0,1|1,1,1]=4 480 B10R1.18 NC(=O)OC1=CC=CC=C1 MC428148 [0,0,0,0,0,1|1,1,1]=4 481 B10R1.18 O=C(Cl)OC1=CC=CC=C1 CS18823 [0,0,0,0,0,1|1,1,1]=4 482 B10R1.18 O=C([O-])CC1=CC=CC=C1 MC34448 [0,0,0,0,0,1|1,1,1]=4 483 B7R1.3 BrC1=CC=CC=C1 MC41456 [2,0,0,0,0,0|1,0,0]=3 484 B7R1.3 BrC1=CC=CN=C1 CS19218 [2,0,0,0,0,0|2,0,0]=4 485 B7R1.3 BrC1=CC=NC=C1 CS13376 [2,0,0,0,0,0|2,0,0]=4 486 B7R1.3 BrC1=NC=CC=C1 CS17815 [2,0,0,0,0,0|2,0,0]=4 487 B7R1.3 CC1=CC=CN=C1 MC107850 [2,0,0,0,0,0|1,0,0]=3 488 B7R1.3 CC1=CC=CN=N1 CS22374 [2,0,0,0,0,0|2,0,0]=4 489 B7R1.3 CC1=CC=NC=C1 MC31239 [2,0,0,0,0,0|1,0,0]=3 490 B7R1.3 CC1=CC=NC=C1 MC41625 [2,0,0,0,0,0|1,0,0]=3 491 B7R1.3 CC1=CN=CN=C1 CS18851 [2,0,0,0,0,0|2,0,0]=4 492 B7R1.3 CC1=CN=NC=C1 CS22983 [2,0,0,0,0,0|2,0,0]=4 493 B7R1.3 CC1=NC=CC=C1 MC41623 [2,0,0,0,0,0|1,0,0]=3 494 B7R1.3 CC1=NC=NC=C1 CS19795 [2,0,0,0,0,0|2,0,0]=4 495 B7R1.3 C[N+]1=CC=CC=C1 CS17683 [2,0,0,0,0,0|1,0,0]=3 496 B7R1.3 ClC1=CC=CC=C1 MC41469 [2,0,0,0,0,0|1,0,0]=3 497 B7R1.3 ClC1=CC=NC=C1 CS13378 [2,0,0,0,0,0|2,0,0]=4 498 B7R1.3 ClC1=NC=CC=C1 MC20672 [2,0,0,0,0,0|2,0,0]=4 499 B7R1.3 FC1=CC=CC=C1 MC41489 [2,0,0,0,0,0|1,0,0]=3 500 B7R1.3 FC1=CC=CN=C1 MC20006 [2,0,0,0,0,0|2,0,0]=4 501 B7R1.3 FC1=CC=NC=C1 MC429573 [2,0,0,0,0,0|2,0,0]=4 502 B7R1.3 FC1=CC=NC=C1 MC433050 [2,0,0,0,0,0|2,0,0]=4 503 B7R1.3 FC1=NC=CC=C1 MC20005 [2,0,0,0,0,0|2,0,0]=4 504 B7R1.3 F[N+]1=CC=CC=C1 MC426120 [2,0,0,0,0,0|2,0,0]=4 505 B7R1.3 F[N+]1=CC=CC=C1 MC429468 [2,0,0,0,0,0|2,0,0]=4 506 B7R1.3 IC1=CC=CC=C1 CS19958 [2,0,0,0,0,0|1,0,0]=3 507 B7R1.3 IC1=NC=CC=C1 CS14565 [2,0,0,0,0,0|2,0,0]=4 508 B7R1.3 NC1=CC=CC=C1 MC40851 [2,0,0,0,0,0|1,0,0]=3 509 B7R1.3 NC1=CC=CN=C1 CS19073 [2,0,0,0,0,0|2,0,0]=4 510 B7R1.3 NC1=CC=NC=C1 MC20017 [2,0,0,0,0,0|2,0,0]=4 511 B7R1.3 NC1=NC=CC=C1 MC41600 [2,0,0,0,0,0|2,0,0]=4 512 B7R1.3 O=C1C=CC=CN1 CS18724 [2,0,0,0,0,0|1,1,0]=4 513 B7R1.3 OC1=CC=CC=C1 MC41210 [2,0,0,0,0,0|0,1,0]=3 514 B7R1.3 OC1=CC=CN=C1 CS17813 [2,0,0,0,0,0|1,1,0]=4 515 B7R1.3 OC1=CC=NC=C1 CS19216 [2,0,0,0,0,0|1,1,0]=4 516 B7R1.3 OC1=NC=CC=C1 CS21602 [2,0,0,0,0,0|1,1,0]=4 517 B7R1.3 PC1=CC=CC=C1 MC444841 [2,0,0,0,0,0|1,0,0]=3 518 B7R1.3 [S-]C1=CC=CC=C1 MC41417 [2,0,0,0,0,0|0,0,1]=3 519 B9R1.1 BrCC1=CC=C(Br)C=C1 CS19166 [1,1,0,0,0,0|1,0,0]=3 520 B9R1.1 BrCC1=CC=C(I)C=C1 CS20172 [1,1,0,0,0,0|1,0,0]=3 521 B9R1.1 BrCC1=CN=C(Br)C=C1 MC430652 [1,1,0,0,0,0|2,0,0]=4 522 B9R1.1 Br[Mg]c1ccc(Br)cc1 MC116037 [1,1,0,0,0,0|2,0,0]=4 523 B9R1.1 C#CC1=CC=C(Br)C=C1 MC440298 [1,1,0,0,0,0|0,0,2]=4 524 B9R1.1 C#CC1=CC=C(C)C=C1 CS21552 [1,1,0,0,0,0|0,0,2]=4 525 B9R1.1 C#CC1=CC=C(Cl)C=C1 MC440300 [1,1,0,0,0,0|0,0,2]=4 526 B9R1.1 C#CC1=CC=C(F)C=C1 MC429574 [1,1,0,0,0,0|0,0,2]=4 527 B9R1.1 C#CC1=CC=C(I)C=C1 MC443225 [1,1,0,0,0,0|0,0,2]=4 528 B9R1.1 C=CC1=CC=C(Br)C=C1 MC41562 [1,1,0,0,0,0|0,0,2]=4 529 B9R1.1 C=CC1=CC=C(F)C=C1 MC33131 [1,1,0,0,0,0|0,0,2]=4 530 B9R1.1 CC1=CC=C(C#N)C=C1 CS19807 [1,1,0,0,0,0|1,0,1]=4 531 B9R1.1 CC1=CC=C(C=O)C=C1 MC41128 [1,1,0,0,0,0|0,1,1]=4 532 B9R1.1 CC1=CC=C(CBr)C=C1 CS22969 [1,1,0,0,0,0|1,0,0]=3 533 B9R1.1 CC1=CC=C(CCl)C=C1 MC40603 [1,1,0,0,0,0|1,0,0]=3 534 B9R1.1 CC1=CC=C(CN)C=C1 CS22970 [1,1,0,0,0,0|1,0,0]=3 535 B9R1.1 CC1=CC=C(CO)C=C1 CS19704 [1,1,0,0,0,0|0,1,0]=3 536 B9R1.1 CC1=CC=C(CO)C=N1 MC21041 [1,1,0,0,0,0|1,1,0]=4 537 B9R1.1 CC1=CC=C(NN)C=C1 CS19576 [1,1,0,0,0,0|2,0,0]=4 538 B9R1.1 CC1=CN=C(CCl)C=C1 MC115829 [1,1,0,0,0,0|2,0,0]=4 539 B9R1.1 CC1=CN=C(CN)C=C1 CS18319 [1,1,0,0,0,0|2,0,0]=4 540 B9R1.1 CCC1=CC=C(Br)C=C1 CS10865 [1,1,0,0,0,0|0,0,0]=2 541 B9R1.1 CCC1=CC=C(F)C=C1 MC20965 [1,1,0,0,0,0|0,0,0]=2 542 B9R1.1 CCC1=CC=C(I)C=C1 MC20189 [1,1,0,0,0,0|0,0,0]=2 543 B9R1.1 CCC1=CC=C(N)C=C1 MC40912 [1,1,0,0,0,0|0,0,0]=2 544 B9R1.1 CCC1=CC=C(O)C=C1 MC20188 [1,1,0,0,0,0|0,0,0]=2 545 B9R1.1 CCC1=CN=C(Br)C=C1 CS13124 [1,1,0,0,0,0|1,0,0]=3 546 B9R1.1 CCC1=CN=C(Br)C=N1 MC443464 [1,1,0,0,0,0|2,0,0]=4 547 B9R1.1 CCC1=CN=C(C)C=C1 MC20566 [1,1,0,0,0,0|1,0,0]=3 548 B9R1.1 CCC1=CN=C(Cl)N=C1 MC444395 [1,1,0,0,0,0|2,0,0]=4 549 B9R1.1 CCC1=CN=C(N)N=C1 CS14255 [1,1,0,0,0,0|2,0,0]=4 550 B9R1.1 CCC1=NC=C(Br)C=C1 CS12376 [1,1,0,0,0,0|1,0,0]=3 551 B9R1.1 CCC1=NC=C(Br)C=N1 CS13125 [1,1,0,0,0,0|2,0,0]=4 552 B9R1.1 CCC1=NC=C(N)C=N1 MC444378 [1,1,0,0,0,0|2,0,0]=4 553 B9R1.1 CNC1=CC=C(Cl)C=C1 MC40891 [1,1,0,0,0,0|1,0,0]=3 554 B9R1.1 CNC1=CC=C(F)C=C1 MC40919 [1,1,0,0,0,0|1,0,0]=3 555 B9R1.1 CNC1=CC=C(I)C=C1 CS22906 [1,1,0,0,0,0|1,0,0]=3 556 B9R1.1 CNC1=NC=C(Br)C=C1 CS10304 [1,1,0,0,0,0|2,0,0]=4 557 B9R1.1 CNC1=NC=C(N)C=C1 MC33484 [1,1,0,0,0,0|2,0,0]=4 558 B9R1.1 COC1=CC=C(Br)C=C1 MC41310 [1,1,0,0,0,0|1,0,0]=3 559 B9R1.1 COC1=CC=C(Cl)C=C1 MC41327 [1,1,0,0,0,0|1,0,0]=3 560 B9R1.1 COC1=CC=C(F)C=C1 MC30345 [1,1,0,0,0,0|1,0,0]=3 561 B9R1.1 COC1=CC=C(I)C=C1 MC41342 [1,1,0,0,0,0|1,0,0]=3 562 B9R1.1 COC1=CC=C(N)C=C1 CS18580 [1,1,0,0,0,0|1,0,0]=3 563 B9R1.1 COC1=CC=C(N)C=N1 CS19527 [1,1,0,0,0,0|2,0,0]=4 564 B9R1.1 COC1=CC=C(O)C=C1 CS22939 [1,1,0,0,0,0|1,0,0]=3 565 B9R1.1 COC1=CC=C(O)C=N1 CS19503 [1,1,0,0,0,0|2,0,0]=4 566 B9R1.1 COC1=CC=C(S)C=C1 MC20380 [1,1,0,0,0,0|1,0,0]=3 567 B9R1.1 COC1=CC=[N+]([O-])C=C1 CS18613 [1,1,0,0,0,0|2,0,0]=4 568 B9R1.1 COC1=CN=C(Br)C=C1 CS13470 [1,1,0,0,0,0|2,0,0]=4 569 B9R1.1 COC1=CN=C(F)C=C1 MC442697 [1,1,0,0,0,0|2,0,0]=4 570 B9R1.1 COC1=CN=C(N)C=C1 CS17791 [1,1,0,0,0,0|2,0,0]=4 571 B9R1.1 COC1=NC=C(Br)C=C1 CS22030 [1,1,0,0,0,0|2,0,0]=4 572 B9R1.1 COC1=NC=C(C)C=C1 CS21644 [1,1,0,0,0,0|2,0,0]=4 573 B9R1.1 COC1=NC=C(Cl)C=C1 CS17976 [1,1,0,0,0,0|2,0,0]=4 574 B9R1.1 COC1=NC=C(F)C=C1 MC20598 [1,1,0,0,0,0|2,0,0]=4 575 B9R1.1 COC1=NC=C(I)C=C1 CS21641 [1,1,0,0,0,0|2,0,0]=4 576 B9R1.1 COC1=NC=C(N)C=C1 MC33494 [1,1,0,0,0,0|2,0,0]=4 577 B9R1.1 CSC1=CC=C(O)C=C1 MC20743 [1,1,0,0,0,0|1,0,0]=3 578 B9R1.1 CSC1=CN=C(Br)C=C1 MC430574 [1,1,0,0,0,0|2,0,0]=4 579 B9R1.1 ClC1=CC=C(CBr)C=C1 MC40527 [1,1,0,0,0,0|1,0,0]=3 580 B9R1.1 ClC1=CN=C(CBr)C=C1 CS16112 [1,1,0,0,0,0|2,0,0]=4 581 B9R1.1 ClC1=CN=C(CBr)C=C1 CS17526 [1,1,0,0,0,0|2,0,0]=4 582 B9R1.1 ClC1=NC=C(CBr)C=C1 MC430654 [1,1,0,0,0,0|2,0,0]=4 583 B9R1.1 ClCC1=CC=C(Br)C=C1 CS19167 [1,1,0,0,0,0|1,0,0]=3 584 B9R1.1 ClCC1=CC=C(Cl)C=C1 CS19806 [1,1,0,0,0,0|1,0,0]=3 585 B9R1.1 FC1=CC=C(CBr)C=C1 CS19071 [1,1,0,0,0,0|1,0,0]=3 586 B9R1.1 FC1=CC=C(CCl)C=C1 MC429572 [1,1,0,0,0,0|1,0,0]=3 587 B9R1.1 FC1=CN=C(CBr)C=C1 MC430066 [1,1,0,0,0,0|2,0,0]=4 588 B9R1.1 FC1=CN=C(CBr)C=C1 MC432544 [1,1,0,0,0,0|2,0,0]=4 589 B9R1.1 FC1=NC=C(CBr)C=C1 CS13268 [1,1,0,0,0,0|2,0,0]=4 590 B9R1.1 N#CC1=CC=C(Br)C=C1 CS19210 [1,1,0,0,0,0|1,0,1]=4 591 B9R1.1 N#CC1=CC=C(Cl)C=C1 CS19211 [1,1,0,0,0,0|1,0,1]=4 592 B9R1.1 N#CC1=CC=C(F)C=C1 CS18637 [1,1,0,0,0,0|1,0,1]=4 593 B9R1.1 N#CC1=CC=C(I)C=C1 CS22010 [1,1,0,0,0,0|1,0,1]=4 594 B9R1.1 N#CC1=CC=C(N)C=C1 CS13395 [1,1,0,0,0,0|1,0,1]=4 595 B9R1.1 N#CC1=CC=C(O)C=C1 CS15887 [1,1,0,0,0,0|1,0,1]=4 596 B9R1.1 NC1=CC=C(C=O)C=C1 MC20423 [1,1,0,0,0,0|0,1,1]=4 597 B9R1.1 NC1=CC=C(CO)C=C1 MC33175 [1,1,0,0,0,0|0,1,0]=3 598 B9R1.1 NC1=CC=C(CO)C=N1 MC425278 [1,1,0,0,0,0|1,1,0]=4 599 B9R1.1 NC1=CN=C(CO)C=C1 MC33467 [1,1,0,0,0,0|1,1,0]=4 600 B9R1.1 NCC1=CC=C(Br)C=C1 CS19587 [1,1,0,0,0,0|1,0,0]=3 601 B9R1.1 NCC1=CC=C(Br)N=C1 CS11090 [1,1,0,0,0,0|2,0,0]=4 602 B9R1.1 NCC1=CC=C(Cl)C=C1 MC33031 [1,1,0,0,0,0|1,0,0]=3 603 B9R1.1 NCC1=CC=C(Cl)N=C1 CS16390 [1,1,0,0,0,0|2,0,0]=4 604 B9R1.1 NCC1=CC=C(F)C=C1 CS18721 [1,1,0,0,0,0|1,0,0]=3 605 B9R1.1 NCC1=CC=C(I)C=C1 MC40836 [1,1,0,0,0,0|1,0,0]=3 606 B9R1.1 NCC1=CC=C(I)C=C1 MC40837 [1,1,0,0,0,0|1,0,0]=3 607 B9R1.1 NCC1=CC=C(N)C=N1 CS10590 [1,1,0,0,0,0|2,0,0]=4 608 B9R1.1 NCC1=CC=C(O)C=C1 CS22886 [1,1,0,0,0,0|1,0,0]=3 609 B9R1.1 NCC1=CN=C(F)C=C1 MC104517 [1,1,0,0,0,0|2,0,0]=4 610 B9R1.1 NCC1=NC=C(F)C=C1 CS16554 [1,1,0,0,0,0|2,0,0]=4 611 B9R1.1 NCC1=NC=C(F)C=C1 MC430168 [1,1,0,0,0,0|2,0,0]=4 612 B9R1.1 NCC1=NC=C(F)C=C1 MC430169 [1,1,0,0,0,0|2,0,0]=4 613 B9R1.1 NNC1=CC=C(Br)C=C1 CS15342 [1,1,0,0,0,0|2,0,0]=4 614 B9R1.1 NNC1=CC=C(Cl)C=C1 CS13495 [1,1,0,0,0,0|2,0,0]=4 615 B9R1.1 NNC1=CC=C(Cl)C=C1 CS17312 [1,1,0,0,0,0|2,0,0]=4 616 B9R1.1 NNC1=CC=C(F)C=C1 CS22006 [1,1,0,0,0,0|2,0,0]=4 617 B9R1.1 NNC1=CC=C(N)C=C1 MC430700 [1,1,0,0,0,0|2,0,0]=4 618 B9R1.1 O=C1C=CC(CO)=CN1 CS19816 [1,1,0,0,0,0|1,1,0]=4 619 B9R1.1 O=CC1=CC=C(Br)C=C1 CS18612 [1,1,0,0,0,0|0,1,1]=4 620 B9R1.1 O=CC1=CC=C(Cl)C=C1 CS14843 [1,1,0,0,0,0|0,1,1]=4 621 B9R1.1 O=CC1=CC=C(F)C=C1 CS19072 [1,1,0,0,0,0|0,1,1]=4 622 B9R1.1 O=CC1=CC=C(I)C=C1 CS20133 [1,1,0,0,0,0|0,1,1]=4 623 B9R1.1 O=CC1=CC=C(O)C=C1 CS18686 [1,1,0,0,0,0|0,1,1]=4 624 B9R1.1 OCC1=CC=C(Br)C=C1 CS19378 [1,1,0,0,0,0|0,1,0]=3 625 B9R1.1 OCC1=CC=C(Cl)C=C1 CS19353 [1,1,0,0,0,0|0,1,0]=3 626 B9R1.1 OCC1=CC=C(F)C=C1 MC40711 [1,1,0,0,0,0|0,1,0]=3 627 B9R1.1 OCC1=CC=C(F)N=C1 MC429931 [1,1,0,0,0,0|1,1,0]=4 628 B9R1.1 OCC1=CC=C(O)C=C1 CS19212 [1,1,0,0,0,0|0,1,0]=3 629 B9R1.1 OCC1=CN=C(Cl)C=C1 MC20657 [1,1,0,0,0,0|1,1,0]=4 630 B9R1.1 OCC1=NC=C(Br)C=C1 CS23005 [1,1,0,0,0,0|1,1,0]=4 631 B9R1.1 OCC1=NC=C(Cl)C=C1 CS21758 [1,1,0,0,0,0|1,1,0]=4 632 B9R1.1 OCC1=NC=C(F)C=C1 CS10382 [1,1,0,0,0,0|1,1,0]=4 633 B9R1.2 BrCC1=CC(I)=CC=C1 MC40562 [1,1,0,0,0,0|1,0,0]=3 634 B9R1.2 BrCC1=CC=CC(Br)=C1 CS19344 [1,1,0,0,0,0|1,0,0]=3 635 B9R1.2 BrCC1=CC=CC(Br)=N1 MC425531 [1,1,0,0,0,0|2,0,0]=4 636 B9R1.2 Br[Mg]c1cccc(Br)c1 MC116039 [1,1,0,0,0,0|2,0,0]=4 637 B9R1.2 C#CC1=CC(F)=CC=C1 CS20642 [1,1,0,0,0,0|0,0,2]=4 638 B9R1.2 C#CC1=CC=CC(Br)=C1 MC440366 [1,1,0,0,0,0|0,0,2]=4 639 B9R1.2 C#CC1=CC=CC(N)=C1 CS10819 [1,1,0,0,0,0|0,0,2]=4 640 B9R1.2 C#CC1=CC=CC(O)=C1 CS22325 [1,1,0,0,0,0|0,0,2]=4 641 B9R1.2 C=NC1=CC(C)=CC=C1 MC111025 [1,1,0,0,0,0|1,0,1]=4 642 B9R1.2 CC1=CC(CCl)=NC=C1 CS15442 [1,1,0,0,0,0|2,0,0]=4 643 B9R1.2 CC1=CC(CN)=CC=C1 CS19644 [1,1,0,0,0,0|1,0,0]=3 644 B9R1.2 CC1=CC(CO)=NC=C1 CS11126 [1,1,0,0,0,0|1,1,0]=4 645 B9R1.2 CC1=CC(NN)=CC=C1 CS19574 [1,1,0,0,0,0|2,0,0]=4 646 B9R1.2 CC1=CC=CC(C#N)=C1 CS19778 [1,1,0,0,0,0|1,0,1]=4 647 B9R1.2 CC1=CC=CC(C=O)=C1 MC41127 [1,1,0,0,0,0|0,1,1]=4 648 B9R1.2 CC1=CC=CC(CBr)=N1 MC41602 [1,1,0,0,0,0|2,0,0]=4 649 B9R1.2 CC1=CC=CC(CCl)=C1 MC40602 [1,1,0,0,0,0|1,0,0]=3 650 B9R1.2 CC1=CC=CC(CF)=C1 MC433869 [1,1,0,0,0,0|1,0,0]=3 651 B9R1.2 CC1=CC=CC(CN)=N1 CS18414 [1,1,0,0,0,0|2,0,0]=4 652 B9R1.2 CC1=CC=CC(CO)=N1 MC20920 [1,1,0,0,0,0|1,1,0]=4 653 B9R1.2 CC1=CN=CC(CCl)=C1 CS14445 [1,1,0,0,0,0|2,0,0]=4 654 B9R1.2 CC1=NC=CC(CN)=C1 MC443686 [1,1,0,0,0,0|2,0,0]=4 655 B9R1.2 CCC1=CC(=O)N=CN1 MC106508 [1,1,0,0,0,0|2,0,0]=4 656 B9R1.2 CCC1=CC(Cl)=NC=N1 MC106509 [1,1,0,0,0,0|2,0,0]=4 657 B9R1.2 CCC1=CC=CC(Br)=C1 MC30292 [1,1,0,0,0,0|0,0,0]=2 658 B9R1.2 CCC1=CC=CC(Br)=N1 CS15322 [1,1,0,0,0,0|1,0,0]=3 659 B9R1.2 CCC1=CC=CC(C)=C1 MC425590 [1,1,0,0,0,0|0,0,0]=2 660 B9R1.2 CCC1=CC=CC(N)=C1 MC433319 [1,1,0,0,0,0|0,0,0]=2 661 B9R1.2 CCC1=CC=C[N+]([O-])=C1 MC427174 [1,1,0,0,0,0|1,0,0]=3 662 B9R1.2 CCC1=CN=CC(Br)=C1 CS11907 [1,1,0,0,0,0|1,0,0]=3 663 B9R1.2 CCC1=NC=CC(N)=C1 MC105214 [1,1,0,0,0,0|1,0,0]=3 664 B9R1.2 CNC1=CC(Br)=CC=C1 CS22185 [1,1,0,0,0,0|1,0,0]=3 665 B9R1.2 CNC1=CC(Br)=CC=C1 MC40876 [1,1,0,0,0,0|1,0,0]=3 666 B9R1.2 CNC1=CC(Br)=CN=C1 MC443556 [1,1,0,0,0,0|2,0,0]=4 667 B9R1.2 CNC1=CC(Br)=NC=C1 MC442736 [1,1,0,0,0,0|2,0,0]=4 668 B9R1.2 CNC1=CC(Cl)=CC=C1 MC20486 [1,1,0,0,0,0|1,0,0]=3 669 B9R1.2 CNC1=CC(N)=CC=C1 CS16640 [1,1,0,0,0,0|1,0,0]=3 670 B9R1.2 CNC1=CC=CC(O)=C1 MC442233 [1,1,0,0,0,0|1,0,0]=3 671 B9R1.2 CNC1=NC=CC(Br)=C1 MC33481 [1,1,0,0,0,0|2,0,0]=4 672 B9R1.2 CNC1=NC=CC(Cl)=C1 MC430266 [1,1,0,0,0,0|2,0,0]=4 673 B9R1.2 CNC1=NC=CC(N)=C1 CS16967 [1,1,0,0,0,0|2,0,0]=4 674 B9R1.2 COC1=CC(=O)NC=C1 CS12334 [1,1,0,0,0,0|2,0,0]=4 675 B9R1.2 COC1=CC(Br)=NC=C1 CS16230 [1,1,0,0,0,0|2,0,0]=4 676 B9R1.2 COC1=CC(Cl)=NC=C1 CS19311 [1,1,0,0,0,0|2,0,0]=4 677 B9R1.2 COC1=CC(F)=NC=C1 CS14826 [1,1,0,0,0,0|2,0,0]=4 678 B9R1.2 COC1=CC(N)=NC=C1 CS19522 [1,1,0,0,0,0|2,0,0]=4 679 B9R1.2 COC1=CC=CC(Br)=N1 CS14301 [1,1,0,0,0,0|2,0,0]=4 680 B9R1.2 COC1=CC=CC(Cl)=C1 CS19894 [1,1,0,0,0,0|1,0,0]=3 681 B9R1.2 COC1=CC=CC(Cl)=N1 CS13826 [1,1,0,0,0,0|2,0,0]=4 682 B9R1.2 COC1=CC=CC(F)=C1 CS19929 [1,1,0,0,0,0|1,0,0]=3 683 B9R1.2 COC1=CC=CC(F)=N1 CS13652 [1,1,0,0,0,0|2,0,0]=4 684 B9R1.2 COC1=CC=CC(I)=N1 CS18075 [1,1,0,0,0,0|2,0,0]=4 685 B9R1.2 COC1=CC=CC(N)=C1 CS19943 [1,1,0,0,0,0|1,0,0]=3 686 B9R1.2 COC1=CC=CC(N)=N1 CS13845 [1,1,0,0,0,0|2,0,0]=4 687 B9R1.2 COC1=CC=CC(O)=C1 CS18747 [1,1,0,0,0,0|1,0,0]=3 688 B9R1.2 COC1=CC=CC(O)=N1 MC428307 [1,1,0,0,0,0|2,0,0]=4 689 B9R1.2 COC1=CC=C[N+]([O-])=C1 CS22349 [1,1,0,0,0,0|2,0,0]=4 690 B9R1.2 COC1=CN=CC(Br)=C1 MC427397 [1,1,0,0,0,0|2,0,0]=4 691 B9R1.2 COC1=CN=CC(N)=C1 CS19973 [1,1,0,0,0,0|2,0,0]=4 692 B9R1.2 COC1=CN=CC(O)=C1 CS17819 [1,1,0,0,0,0|2,0,0]=4 693 B9R1.2 COC1=NC(C)=CC=C1 CS15396 [1,1,0,0,0,0|2,0,0]=4 694 B9R1.2 COC1=NC=CC(Br)=C1 CS22650 [1,1,0,0,0,0|2,0,0]=4 695 B9R1.2 COC1=NC=CC(C)=C1 CS21637 [1,1,0,0,0,0|2,0,0]=4 696 B9R1.2 COC1=NC=CC(Cl)=C1 CS19313 [1,1,0,0,0,0|2,0,0]=4 697 B9R1.2 COC1=NC=CC(F)=C1 CS11908 [1,1,0,0,0,0|2,0,0]=4 698 B9R1.2 COC1=NC=CC(I)=C1 CS19594 [1,1,0,0,0,0|2,0,0]=4 699 B9R1.2 COC1=NC=CC(N)=C1 CS19525 [1,1,0,0,0,0|2,0,0]=4 700 B9R1.2 COC1=NC=CC(O)=C1 MC115931 [1,1,0,0,0,0|2,0,0]=4 701 B9R1.2 CSC1=CC(N)=CC=C1 MC20570 [1,1,0,0,0,0|1,0,0]=3 702 B9R1.2 CSC1=CC=CC(Br)=N1 MC442232 [1,1,0,0,0,0|2,0,0]=4 703 B9R1.2 CSC1=NC=CC(Cl)=C1 CS12493 [1,1,0,0,0,0|2,0,0]=4 704 B9R1.2 ClC1=CC(CBr)=NC=C1 MC111259 [1,1,0,0,0,0|2,0,0]=4 705 B9R1.2 ClC1=CC=CC(CBr)=C1 CS22235 [1,1,0,0,0,0|1,0,0]=3 706 B9R1.2 ClC1=CN=CC(CBr)=C1 MC107431 [1,1,0,0,0,0|2,0,0]=4 707 B9R1.2 ClCC1=CC(Br)=CC=C1 MC40579 [1,1,0,0,0,0|1,0,0]=3 708 B9R1.2 ClCC1=CC(Cl)=CC=C1 MC40582 [1,1,0,0,0,0|1,0,0]=3 709 B9R1.2 ClCC1=CC=CC(Br)=N1 MC425483 [1,1,0,0,0,0|2,0,0]=4 710 B9R1.2 ClCC1=CN=CC(Br)=C1 MC425679 [1,1,0,0,0,0|2,0,0]=4 711 B9R1.2 FC1=CC=CC(CBr)=C1 MC40552 [1,1,0,0,0,0|1,0,0]=3 712 B9R1.2 FC1=CC=CC(CCl)=C1 CS19068 [1,1,0,0,0,0|1,0,0]=3 713 B9R1.2 FCC1=CC=CC(F)=C1 MC433530 [1,1,0,0,0,0|1,0,0]=3 714 B9R1.2 N#CC1=CC(Br)=CC=C1 CS19865 [1,1,0,0,0,0|1,0,1]=4 715 B9R1.2 N#CC1=CC(Cl)=CC=C1 CS19319 [1,1,0,0,0,0|1,0,1]=4 716 B9R1.2 N#CC1=CC(F)=CC=C1 MC20044 [1,1,0,0,0,0|1,0,1]=4 717 B9R1.2 N#CC1=CC(I)=CC=C1 MC33186 [1,1,0,0,0,0|1,0,1]=4 718 B9R1.2 N#CC1=CC(N)=CC=C1 CS13394 [1,1,0,0,0,0|1,0,1]=4 719 B9R1.2 N#CC1=CC(O)=CC=C1 CS19377 [1,1,0,0,0,0|1,0,1]=4 720 B9R1.2 NC1=CC(CO)=NC=C1 MC33483 [1,1,0,0,0,0|1,1,0]=4 721 B9R1.2 NC1=CC=CC(CO)=C1 CS18821 [1,1,0,0,0,0|0,1,0]=3 722 B9R1.2 NC1=CC=CC(CO)=N1 CS16612 [1,1,0,0,0,0|1,1,0]=4 723 B9R1.2 NC1=CN=CC(CO)=C1 CS22079 [1,1,0,0,0,0|1,1,0]=4 724 B9R1.2 NC1=NC=CC(CCl)=C1 MC431205 [1,1,0,0,0,0|2,0,0]=4 725 B9R1.2 NC1=NC=CC(CO)=C1 CS17807 [1,1,0,0,0,0|1,1,0]=4 726 B9R1.2 NCC1=CC(Br)=CC=C1 CS19652 [1,1,0,0,0,0|1,0,0]=3 727 B9R1.2 NCC1=CC(Br)=CC=C1 MC40798 [1,1,0,0,0,0|1,0,0]=3 728 B9R1.2 NCC1=CC(Br)=CN=C1 MC106753 [1,1,0,0,0,0|2,0,0]=4 729 B9R1.2 NCC1=CC(Br)=NC=C1 CS17247 [1,1,0,0,0,0|2,0,0]=4 730 B9R1.2 NCC1=CC(Cl)=CC=C1 MC33134 [1,1,0,0,0,0|1,0,0]=3 731 B9R1.2 NCC1=CC(Cl)=NC=C1 CS16037 [1,1,0,0,0,0|2,0,0]=4 732 B9R1.2 NCC1=CC(F)=CC=C1 MC33025 [1,1,0,0,0,0|1,0,0]=3 733 B9R1.2 NCC1=CC(F)=CN=C1 MC431591 [1,1,0,0,0,0|2,0,0]=4 734 B9R1.2 NCC1=CC(F)=NC=C1 MC116260 [1,1,0,0,0,0|2,0,0]=4 735 B9R1.2 NCC1=CC(I)=CC=C1 CS22330 [1,1,0,0,0,0|1,0,0]=3 736 B9R1.2 NCC1=CC(N)=NC=C1 CS17453 [1,1,0,0,0,0|2,0,0]=4 737 B9R1.2 NCC1=CN=CC(N)=C1 MC33458 [1,1,0,0,0,0|2,0,0]=4 738 B9R1.2 NCC1=NC(Br)=CC=C1 CS10635 [1,1,0,0,0,0|2,0,0]=4 739 B9R1.2 NCC1=NC(Br)=CC=C1 MC425058 [1,1,0,0,0,0|2,0,0]=4 740 B9R1.2 NCC1=NC(F)=CC=C1 CS13193 [1,1,0,0,0,0|2,0,0]=4 741 B9R1.2 NCC1=NC=CC(Br)=C1 CS12824 [1,1,0,0,0,0|2,0,0]=4 742 B9R1.2 NCC1=NC=CC(Br)=C1 CS15559 [1,1,0,0,0,0|2,0,0]=4 743 B9R1.2 NCC1=NC=CC(Cl)=C1 MC113773 [1,1,0,0,0,0|2,0,0]=4 744 B9R1.2 NNC1=CC(Br)=CC=C1 CS19465 [1,1,0,0,0,0|2,0,0]=4 745 B9R1.2 NNC1=CC(Cl)=CC=C1 CS19479 [1,1,0,0,0,0|2,0,0]=4 746 B9R1.2 NNC1=CC(F)=CC=C1 CS19485 [1,1,0,0,0,0|2,0,0]=4 747 B9R1.2 O=CC1=CC(Br)=CC=C1 CS18958 [1,1,0,0,0,0|0,1,1]=4 748 B9R1.2 O=CC1=CC(Cl)=CC=C1 MC20579 [1,1,0,0,0,0|0,1,1]=4 749 B9R1.2 O=CC1=CC(F)=CC=C1 CS22298 [1,1,0,0,0,0|0,1,1]=4 750 B9R1.2 O=CC1=CC(I)=CC=C1 CS20132 [1,1,0,0,0,0|0,1,1]=4 751 B9R1.2 O=CC1=CC(O)=CC=C1 MC20422 [1,1,0,0,0,0|0,1,1]=4 752 B9R1.2 OC1=CC(CBr)=CC=C1 MC425573 [1,1,0,0,0,0|1,0,0]=3 753 B9R1.2 OCC1=CC(Br)=CN=C1 CS18272 [1,1,0,0,0,0|1,1,0]=4 754 B9R1.2 OCC1=CC(Br)=NC=C1 CS19256 [1,1,0,0,0,0|1,1,0]=4 755 B9R1.2 OCC1=CC(F)=CC=C1 CS19069 [1,1,0,0,0,0|0,1,0]=3 756 B9R1.2 OCC1=CC(F)=CN=C1 MC430713 [1,1,0,0,0,0|1,1,0]=4 757 B9R1.2 OCC1=CC(F)=NC=C1 CS21547 [1,1,0,0,0,0|1,1,0]=4 758 B9R1.2 OCC1=CC(O)=CC=C1 MC40720 [1,1,0,0,0,0|0,1,0]=3 759 B9R1.2 OCC1=NC(Br)=CC=C1 CS23004 [1,1,0,0,0,0|1,1,0]=4 760 B9R1.2 OCC1=NC(Cl)=CC=C1 CS10667 [1,1,0,0,0,0|1,1,0]=4 761 B9R1.2 OCC1=NC(Cl)=CC=C1 CS19907 [1,1,0,0,0,0|1,1,0]=4 762 B9R1.2 OCC1=NC(F)=CC=C1 MC430488 [1,1,0,0,0,0|1,1,0]=4 763 B9R1.2 OCC1=NC=CC(Br)=C1 CS18696 [1,1,0,0,0,0|1,1,0]=4 764 B9R1.2 OCC1=NC=CC(Cl)=C1 MC20517 [1,1,0,0,0,0|1,1,0]=4 765 B9R1.2 OCC1=NC=CC(O)=C1 CS17612 [1,1,0,0,0,0|1,1,0]=4 766 B9R1.8 BrCCC1=CC=CC=C1 MC40571 [1,1,0,0,0,0|0,0,0]=2 767 B9R1.8 Br[Zn]Cc1ccccc1 MC121333 [1,1,0,0,0,0|1,0,0]=3 768 B9R1.8 CCCC1=CC=CN=C1 CS22402 [1,1,0,0,0,0|1,0,0]=3 769 B9R1.8 CCNC1=CC=CC=C1 MC40913 [1,1,0,0,0,0|0,0,0]=2 770 B9R1.8 CCOC1=NC=CC=C1 CS18732 [1,1,0,0,0,0|1,0,0]=3 771 B9R1.8 CCOC1=NC=CN=C1 CS21524 [1,1,0,0,0,0|2,0,0]=4 772 B9R1.8 CNCC1=CC=CC=C1 MC10559 [1,1,0,0,0,0|0,0,0]=2 773 B9R1.8 CNCC1=CC=CC=C1 MC20323 [1,1,0,0,0,0|0,0,0]=2 774 B9R1.8 CNCC1=CC=CC=C1 MC21006 [1,1,0,0,0,0|0,0,0]=2 775 B9R1.8 CNCC1=CC=CN=C1 CS18846 [1,1,0,0,0,0|1,0,0]=3 776 B9R1.8 CNCC1=CN=CN=C1 MC103834 [1,1,0,0,0,0|2,0,0]=4 777 B9R1.8 COCC1=NC=CC=C1 CS20909 [1,1,0,0,0,0|1,0,0]=3 778 B9R1.8 ClCCC1=CC=CC=C1 MC40609 [1,1,0,0,0,0|0,0,0]=2 779 B9R1.8 ClCCC1=CC=NC=C1 CS17913 [1,1,0,0,0,0|1,0,0]=3 780 B9R1.8 FCCC1=CC=CC=C1 MC41557 [1,1,0,0,0,0|0,0,0]=2 781 B9R1.8 N#CCC1=CC=CN=C1 CS18407 [1,1,0,0,0,0|1,0,1]=4 782 B9R1.8 N#CCC1=CC=NC=C1 CS20239 [1,1,0,0,0,0|1,0,1]=4 783 B9R1.8 N#CCC1=NC=CC=C1 CS18926 [1,1,0,0,0,0|1,0,1]=4 784 B9R1.8 NCCC1=CC=CC=C1 MC40983 [1,1,0,0,0,0|0,0,0]=2 785 B9R1.8 NCCC1=CC=CN=C1 CS21892 [1,1,0,0,0,0|1,0,0]=3 786 B9R1.8 NCCC1=NC=CC=C1 CS14064 [1,1,0,0,0,0|1,0,0]=3 787 B9R1.8 NCCC1=NC=NC=C1 MC104796 [1,1,0,0,0,0|2,0,0]=4 788 B9R1.8 NNCC1=CC=CC=C1 CS11006 [1,1,0,0,0,0|1,0,0]=3 789 B9R1.8 NNCC1=CC=CC=C1 CS12127 [1,1,0,0,0,0|1,0,0]=3 790 B9R1.8 NNCC1=CC=CN=C1 MC111189 [1,1,0,0,0,0|2,0,0]=4 791 B9R1.8 NNCC1=CC=CN=C1 MC111240 [1,1,0,0,0,0|2,0,0]=4 792 B9R1.8 NNCC1=CC=NC=C1 MC111241 [1,1,0,0,0,0|2,0,0]=4 793 B9R1.8 NNCC1=NC=CC=C1 MC111239 [1,1,0,0,0,0|2,0,0]=4 794 B9R1.8 NOCC1=CC=CC=C1 CS14063 [1,1,0,0,0,0|0,1,0]=3 795 B9R1.8 O=C=NC1=CC=CC=C1 MC41051 [1,1,0,0,0,0|0,1,1]=4 796 B9R1.8 O=CCC1=CC=CN=C1 MC106360 [1,1,0,0,0,0|1,0,1]=4 797 B9R1.8 O=CCC1=CC=NC=C1 MC106357 [1,1,0,0,0,0|1,0,1]=4 798 B9R1.8 O=CNC1=CC=CC=C1 MC40924 [1,1,0,0,0,0|0,1,1]=4 799 B9R1.8 O=COC1=CC=CC=C1 MC40136 [1,1,0,0,0,0|0,1,1]=4 800 B9R1.8 OCCC1=CC=CC=C1 MC40745 [1,1,0,0,0,0|0,0,0]=2 801 B9R1.8 OCCC1=CN=CN=C1 CS12401 [1,1,0,0,0,0|2,0,0]=4 802 B9R1.8 ONCC1=CC=CC=C1 CS11753 [1,1,0,0,0,0|0,1,0]=3 803 B9R1.15 BrCC1=C(Br)C=CC=C1 MC20808 [1,1,0,0,0,0|1,0,0]=3 804 B9R1.15 BrCC1=C(I)C=CC=C1 MC40561 [1,1,0,0,0,0|1,0,0]=3 805 B9R1.15 C#CC1=C(Cl)C=CC=C1 CS20629 [1,1,0,0,0,0|0,0,2]=4 806 B9R1.15 C#CC1=C(N)C=CC=C1 CS21537 [1,1,0,0,0,0|0,0,2]=4 807 B9R1.15 C#CC1=C(O)C=CC=C1 CS21538 [1,1,0,0,0,0|0,0,2]=4 808 B9R1.15 C=CC1=C(Br)C=CC=C1 CS18853 [1,1,0,0,0,0|0,0,2]=4 809 B9R1.15 C=CC1=C(Cl)C=CC=C1 CS19873 [1,1,0,0,0,0|0,0,2]=4 810 B9R1.15 CC1=C(CBr)C=CC=C1 CS14791 [1,1,0,0,0,0|1,0,0]=3 811 B9R1.15 CC1=C(CBr)C=NC=C1 CS17496 [1,1,0,0,0,0|2,0,0]=4 812 B9R1.15 CC1=C(CCl)C=NC=C1 MC104833 [1,1,0,0,0,0|2,0,0]=4 813 B9R1.15 CC1=C(CN)C=CC=C1 MC33216 [1,1,0,0,0,0|1,0,0]=3 814 B9R1.15 CC1=C(CN)C=NC=C1 CS20204 [1,1,0,0,0,0|2,0,0]=4 815 B9R1.15 CC1=C(CO)C=NC=C1 MC443666 [1,1,0,0,0,0|1,1,0]=4 816 B9R1.15 CC1=C(NN)C=CC=C1 CS19575 [1,1,0,0,0,0|2,0,0]=4 817 B9R1.15 CC1=C(NN)C=CC=C1 MC20365 [1,1,0,0,0,0|2,0,0]=4 818 B9R1.15 CC1=CC=CC=C1C=O CS19114 [1,1,0,0,0,0|0,1,1]=4 819 B9R1.15 CC1=CC=CN=C1CCl CS15725 [1,1,0,0,0,0|2,0,0]=4 820 B9R1.15 CC1=CC=CN=C1CO CS19225 [1,1,0,0,0,0|1,1,0]=4 821 B9R1.15 CC1=NC=CC=C1CCl MC104832 [1,1,0,0,0,0|2,0,0]=4 822 B9R1.15 CC1=NC=CC=C1CN MC102930 [1,1,0,0,0,0|2,0,0]=4 823 B9R1.15 CC1=NC=CC=C1CO CS20145 [1,1,0,0,0,0|1,1,0]=4 824 B9R1.15 CCC1=C(Br)C=CC=C1 CS20980 [1,1,0,0,0,0|0,0,0]=2 825 B9R1.15 CCC1=C(Br)C=CN=C1 MC427078 [1,1,0,0,0,0|1,0,0]=3 826 B9R1.15 CCC1=C(C)C=CC=C1 CS21536 [1,1,0,0,0,0|0,0,0]=2 827 B9R1.15 CCC1=C(N)C=CC=C1 MC40911 [1,1,0,0,0,0|0,0,0]=2 828 B9R1.15 CCC1=NC=CC=C1Br MC105746 [1,1,0,0,0,0|1,0,0]=3 829 B9R1.15 CCC1=NC=CN=C1Cl CS21430 [1,1,0,0,0,0|2,0,0]=4 830 B9R1.15 CCC1=NC=NC=C1F CS19573 [1,1,0,0,0,0|2,0,0]=4 831 B9R1.15 CNC1=C(Cl)C=CC=C1 MC40890 [1,1,0,0,0,0|1,0,0]=3 832 B9R1.15 CNC1=C(F)C=CC=C1 CS13895 [1,1,0,0,0,0|1,0,0]=3 833 B9R1.15 CNC1=C(N)C=NC=C1 MC10330 [1,1,0,0,0,0|2,0,0]=4 834 B9R1.15 CNC1=CC=CC=C1N CS22302 [1,1,0,0,0,0|1,0,0]=3 835 B9R1.15 CNC1=NC=CC=C1Br CS17281 [1,1,0,0,0,0|2,0,0]=4 836 B9R1.15 CNC1=NC=CC=C1Cl MC33482 [1,1,0,0,0,0|2,0,0]=4 837 B9R1.15 CNC1=NC=CC=C1N MC427393 [1,1,0,0,0,0|2,0,0]=4 838 B9R1.15 COC1=C(Br)C=CC=C1 CS19150 [1,1,0,0,0,0|1,0,0]=3 839 B9R1.15 COC1=C(Br)C=CN=C1 CS14715 [1,1,0,0,0,0|2,0,0]=4 840 B9R1.15 COC1=C(Br)C=NC=C1 CS18491 [1,1,0,0,0,0|2,0,0]=4 841 B9R1.15 COC1=C(C)C=CN=C1 MC443637 [1,1,0,0,0,0|2,0,0]=4 842 B9R1.15 COC1=C(C)C=NC=C1 MC33476 [1,1,0,0,0,0|2,0,0]=4 843 B9R1.15 COC1=C(Cl)C=CN=C1 MC442708 [1,1,0,0,0,0|2,0,0]=4 844 B9R1.15 COC1=C(F)C=CC=C1 CS19904 [1,1,0,0,0,0|1,0,0]=3 845 B9R1.15 COC1=C(F)C=NC=C1 CS16194 [1,1,0,0,0,0|2,0,0]=4 846 B9R1.15 COC1=C(I)C=CC=C1 MC41341 [1,1,0,0,0,0|1,0,0]=3 847 B9R1.15 COC1=C(I)C=CN=C1 MC106301 [1,1,0,0,0,0|2,0,0]=4 848 B9R1.15 COC1=C(I)C=NC=C1 CS18542 [1,1,0,0,0,0|2,0,0]=4 849 B9R1.15 COC1=C(N)C=CC=C1 CS11812 [1,1,0,0,0,0|1,0,0]=3 850 B9R1.15 COC1=C(N)C=CN=C1 CS22564 [1,1,0,0,0,0|2,0,0]=4 851 B9R1.15 COC1=C(N)C=NC=C1 CS18248 [1,1,0,0,0,0|2,0,0]=4 852 B9R1.15 COC1=C(O)C=CC=C1 MC41202 [1,1,0,0,0,0|1,0,0]=3 853 B9R1.15 COC1=C(O)C=CN=C1 MC443266 [1,1,0,0,0,0|2,0,0]=4 854 B9R1.15 COC1=CC=CN=C1Br CS19255 [1,1,0,0,0,0|2,0,0]=4 855 B9R1.15 COC1=CC=CN=C1Cl CS19305 [1,1,0,0,0,0|2,0,0]=4 856 B9R1.15 COC1=CC=CN=C1F CS13044 [1,1,0,0,0,0|2,0,0]=4 857 B9R1.15 COC1=CC=CN=C1N CS17216 [1,1,0,0,0,0|2,0,0]=4 858 B9R1.15 COC1=NC=CC=C1Br CS19258 [1,1,0,0,0,0|2,0,0]=4 859 B9R1.15 COC1=NC=CC=C1C MC33438 [1,1,0,0,0,0|2,0,0]=4 860 B9R1.15 COC1=NC=CC=C1Cl CS18705 [1,1,0,0,0,0|2,0,0]=4 861 B9R1.15 COC1=NC=CC=C1F CS19564 [1,1,0,0,0,0|2,0,0]=4 862 B9R1.15 COC1=NC=CC=C1I CS13512 [1,1,0,0,0,0|2,0,0]=4 863 B9R1.15 COC1=NC=CC=C1N CS19526 [1,1,0,0,0,0|2,0,0]=4 864 B9R1.15 CSC1=C(Br)C=CN=C1 MC430535 [1,1,0,0,0,0|2,0,0]=4 865 B9R1.15 CSC1=C(I)C=CC=C1 MC433405 [1,1,0,0,0,0|1,0,0]=3 866 B9R1.15 ClC1=C(CBr)C=CC=C1 CS19190 [1,1,0,0,0,0|1,0,0]=3 867 B9R1.15 ClC1=CC=CN=C1CBr MC116292 [1,1,0,0,0,0|2,0,0]=4 868 B9R1.15 ClCC1=C(Cl)C=CC=C1 CS19964 [1,1,0,0,0,0|1,0,0]=3 869 B9R1.15 ClCC1=CC=CC=C1Br MC30029 [1,1,0,0,0,0|1,0,0]=3 870 B9R1.15 FC1=C(CBr)C=CC=C1 CS21562 [1,1,0,0,0,0|1,0,0]=3 871 B9R1.15 FC1=C(CCl)C=CC=C1 MC40597 [1,1,0,0,0,0|1,0,0]=3 872 B9R1.15 FC1=CC=CN=C1CBr MC430869 [1,1,0,0,0,0|2,0,0]=4 873 B9R1.15 FC1=CC=CN=C1CCl MC425766 [1,1,0,0,0,0|2,0,0]=4 874 B9R1.15 FC1=NC=CC=C1CBr MC430634 [1,1,0,0,0,0|2,0,0]=4 875 B9R1.15 FC1=NC=CC=C1CCl MC429652 [1,1,0,0,0,0|2,0,0]=4 876 B9R1.15 N#CC1=C(Br)C=CC=C1 MC20182 [1,1,0,0,0,0|1,0,1]=4 877 B9R1.15 N#CC1=C(F)C=CC=C1 CS18285 [1,1,0,0,0,0|1,0,1]=4 878 B9R1.15 N#CC1=C(I)C=CC=C1 CS21883 [1,1,0,0,0,0|1,0,1]=4 879 B9R1.15 N#CC1=C(N)C=CC=C1 CS13393 [1,1,0,0,0,0|1,0,1]=4 880 B9R1.15 N#CC1=C(O)C=CC=C1 CS19191 [1,1,0,0,0,0|1,0,1]=4 881 B9R1.15 NC1=C(C=O)C=CC=C1 MC20756 [1,1,0,0,0,0|0,1,1]=4 882 B9R1.15 NC1=C(CO)C=CC=C1 CS19122 [1,1,0,0,0,0|0,1,0]=3 883 B9R1.15 NC1=NC=CC=C1CO CS13983 [1,1,0,0,0,0|1,1,0]=4 884 B9R1.15 NCC1=C(Br)C=CC=C1 CS19534 [1,1,0,0,0,0|1,0,0]=3 885 B9R1.15 NCC1=C(Br)C=NC=C1 CS17629 [1,1,0,0,0,0|2,0,0]=4 886 B9R1.15 NCC1=C(F)C=CC=C1 MC40826 [1,1,0,0,0,0|1,0,0]=3 887 B9R1.15 NCC1=C(F)C=NC=C1 MC116263 [1,1,0,0,0,0|2,0,0]=4 888 B9R1.15 NCC1=C(F)C=NC=C1 MC431082 [1,1,0,0,0,0|2,0,0]=4 889 B9R1.15 NCC1=C(N)C=CC=C1 MC40796 [1,1,0,0,0,0|1,0,0]=3 890 B9R1.15 NCC1=C(O)C=CC=C1 CS20889 [1,1,0,0,0,0|1,0,0]=3 891 B9R1.15 NCC1=NC=CC=C1Cl MC114379 [1,1,0,0,0,0|2,0,0]=4 892 B9R1.15 NCC1=NC=CC=C1F MC104008 [1,1,0,0,0,0|2,0,0]=4 893 B9R1.15 NCC1=NC=CC=C1O MC443567 [1,1,0,0,0,0|2,0,0]=4 894 B9R1.15 NNC1=C(Br)C=CC=C1 CS19466 [1,1,0,0,0,0|2,0,0]=4 895 B9R1.15 NNC1=C(Cl)C=CC=C1 CS19478 [1,1,0,0,0,0|2,0,0]=4 896 B9R1.15 NNC1=C(F)C=CC=C1 CS23033 [1,1,0,0,0,0|2,0,0]=4 897 B9R1.15 NNC1=C(F)C=CC=C1 MC33086 [1,1,0,0,0,0|2,0,0]=4 898 B9R1.15 O=CC1=C(Br)C=CC=C1 CS19251 [1,1,0,0,0,0|0,1,1]=4 899 B9R1.15 O=CC1=C(F)C=CC=C1 CS21560 [1,1,0,0,0,0|0,1,1]=4 900 B9R1.15 O=CC1=C(I)C=CC=C1 CS20131 [1,1,0,0,0,0|0,1,1]=4 901 B9R1.15 O=CC1=C(O)C=CC=C1 MC41121 [1,1,0,0,0,0|0,1,1]=4 902 B9R1.15 OCC1=C(Br)C=CC=C1 CS18828 [1,1,0,0,0,0|0,1,0]=3 903 B9R1.15 OCC1=C(Br)C=NC=C1 CS12881 [1,1,0,0,0,0|1,1,0]=4 904 B9R1.15 OCC1=C(Cl)C=CC=C1 CS21494 [1,1,0,0,0,0|0,1,0]=3 905 B9R1.15 OCC1=C(Cl)C=CN=C1 CS17105 [1,1,0,0,0,0|1,1,0]=4 906 B9R1.15 OCC1=C(F)C=CC=C1 MC33139 [1,1,0,0,0,0|0,1,0]=3 907 B9R1.15 OCC1=C(I)C=CC=C1 CS19102 [1,1,0,0,0,0|0,1,0]=3 908 B9R1.15 OCC1=C(O)C=CC=C1 CS16243 [1,1,0,0,0,0|0,1,0]=3 909 B9R1.15 OCC1=CC=CN=C1Cl CS14328 [1,1,0,0,0,0|1,1,0]=4 910 B9R1.15 OCC1=CC=CN=C1F CS18697 [1,1,0,0,0,0|1,1,0]=4 911 B9R1.15 OCC1=NC=CC=C1Br MC431297 [1,1,0,0,0,0|1,1,0]=4 912 B9R1.15 OCC1=NC=CC=C1Br MC431298 [1,1,0,0,0,0|1,1,0]=4 913 B9R1.15 OCC1=NC=CC=C1Cl CS17318 [1,1,0,0,0,0|1,1,0]=4 914 B9R1.15 OCC1=NC=CC=C1F MC430870 [1,1,0,0,0,0|1,1,0]=4 915 B9R1.15 OCC1=NC=CC=C1O MC20200 [1,1,0,0,0,0|1,1,0]=4 916 B9R1.35 CC(N)C1=CSC(Cl)=C1 MC104598 [0,1,0,0,1,0|2,0,0]=4 917 B11R1.20 CC(=O)CC1=CC=C(Cl)C=C1 MC10315 [0,1,0,0,0,1|0,1,1]=4 918 B11R1.20 CC(=O)CC1=CC=C(F)C=C1 CS22844 [0,1,0,0,0,1|0,1,1]=4 919 B11R1.20 CC(=O)NC1=CC=C(C)C=C1 MC428013 [0,1,0,0,0,1|0,1,1]=4 920 B11R1.20 CC(=O)NC1=CC=C(F)C=C1 MC33116 [0,1,0,0,0,1|0,1,1]=4 921 B11R1.20 CC(=O)OC1=CC=C(Br)C=C1 MC40002 [0,1,0,0,0,1|0,1,1]=4 922 B11R1.20 CC(=O)OC1=CC=C(F)C=C1 MC20138 [0,1,0,0,0,1|0,1,1]=4 923 B11R1.20 CC(=O)OC1=CC=C(I)C=C1 MC103137 [0,1,0,0,0,1|0,1,1]=4 924 B11R1.20 CC(C)CC1=CC=C(Br)C=C1 MC433485 [0,1,0,0,0,1|1,0,0]=3 925 B11R1.20 CC(C)NC1=CC=C(Br)C=C1 MC443740 [0,1,0,0,0,1|1,0,0]=3 926 B11R1.20 CC(C)NC1=CC=C(F)C=C1 CS22842 [0,1,0,0,0,1|1,0,0]=3 927 B11R1.20 CC(C)OC1=CC=C(N)C=C1 CS10912 [0,1,0,0,0,1|1,0,0]=3 928 B11R1.20 CC(C)OC1=CC=C(O)C=C1 MC443483 [0,1,0,0,0,1|1,0,0]=3 929 B11R1.20 CC(C)OC1=CN=C(Br)C=C1 MC443766 [0,1,0,0,0,1|2,0,0]=4 930 B11R1.20 CC(C)SC1=CC=C(O)C=C1 MC112512 [0,1,0,0,0,1|1,0,0]=3 931 B11R1.20 CC1=CC=C(OC(F)F)C=C1 MC41389 [0,1,0,0,0,1|2,0,0]=4 932 B11R1.20 FC(F)OC1=CC=C(Cl)C=C1 MC41382 [0,1,0,0,0,1|2,0,0]=4 933 B11R1.20 FC(F)OC1=CC=C(I)C=C1 MC41388 [0,1,0,0,0,1|2,0,0]=4 934 B11R1.20 FC(F)Oc1ccc(Br)cc1 CS19168 [0,1,0,0,0,1|2,0,0]=4 935 B11R1.20 FC1=CC=C(OC(F)F)C=C1 MC431385 [0,1,0,0,0,1|2,0,0]=4 936 B11R1.20 NC1=CC=C(OC(F)F)C=C1 CS13962 [0,1,0,0,0,1|2,0,0]=4 937 B11R1.20 OC1=CC=C(OC(F)F)C=C1 MC41182 [0,1,0,0,0,1|2,0,0]=4 938 B11R1.36 CC(Br)C(=O)C1=CC=CC=C1 MC443670 [0,1,0,0,0,1|1,0,0]=3 939 B11R1.36 CC(C)C(=O)C1=CC=CN=C1 MC429968 [0,1,0,0,0,1|2,0,0]=4 940 B11R1.40 C#CC(O)CC1=CC=CC=C1 MC425691 [0,1,0,0,0,1|0,1,1]=4 941 B11R1.40 CC(C#N)NC1=CC=CC=C1 MC428132 [0,1,0,0,0,1|1,0,0]=3 942 B11R1.40 CCC(=O)CC1=CC=CC=C1 MC41289 [0,1,0,0,0,1|0,1,1]=4 943 B11R1.40 NC(CO)CC1=CC=CC=C1 CS21216 [0,1,0,0,0,1|1,0,0]=3 944 B11R1.40 NC(CO)CC1=CC=CC=C1 MC425862 [0,1,0,0,0,1|1,0,0]=3 945 B11R1.40 O=C(CO)CC1=CC=CC=C1 MC107738 [0,1,0,0,0,1|0,1,1]=4 946 B11R1.86 CC(=O)CC1=C(Cl)C=CC=C1 MC10294 [0,1,0,0,0,1|0,1,1]=4 947 B11R1.86 CC(=O)CC1=C(F)C=CC=C1 MC10318 [0,1,0,0,0,1|0,1,1]=4 948 B11R1.86 CC(=O)NC1=C(Br)C=CC=C1 MC427446 [0,1,0,0,0,1|0,1,1]=4 949 B11R1.86 CC(=O)NC1=C(O)C=CC=C1 CS21203 [0,1,0,0,0,1|0,1,1]=4 950 B11R1.86 CC(=O)OC1=C(C)C=CC=C1 MC40007 [0,1,0,0,0,1|0,1,1]=4 951 B11R1.86 CC(=S)NC1=C(Br)C=CC=C1 MC427451 [0,1,0,0,0,1|0,0,2]=4 952 B11R1.86 CC(C)OC1=C(N)C=CC=C1 CS13469 [0,1,0,0,0,1|1,0,0]=3 953 B11R1.86 CC(C)OC1=NC=CC=C1Cl MC103348 [0,1,0,0,0,1|2,0,0]=4 954 B11R1.86 FC(F)OC1=C(Br)C=CC=C1 MC41371 [0,1,0,0,0,1|2,0,0]=4 955 B11R1.86 FC(F)OC1=C(I)C=CC=C1 MC41387 [0,1,0,0,0,1|2,0,0]=4 956 B11R1.86 NC1=C(OC(F)F)C=CC=C1 MC40902 [0,1,0,0,0,1|2,0,0]=4 957 B11R1.86 OC1=C(OC(F)F)C=CC=C1 MC431136 [0,1,0,0,0,1|2,0,0]=4 958 B11R1.157 CC(=O)CC1=CC(Br)=CC=C1 CS22187 [0,1,0,0,0,1|0,1,1]=4 959 B11R1.157 CC(=O)NC1=CC(F)=CC=C1 MC33114 [0,1,0,0,0,1|0,1,1]=4 960 B11R1.157 CC(=O)NC1=CC(N)=CC=C1 CS22093 [0,1,0,0,0,1|0,1,1]=4 961 B11R1.157 CC(=O)OC1=CC(Br)=CC=C1 MC40001 [0,1,0,0,0,1|0,1,1]=4 962 B11R1.157 CC(=O)OC1=CC(C)=CC=C1 MC40008 [0,1,0,0,0,1|0,1,1]=4 963 B11R1.157 CC(=O)OC1=CC(F)=CC=C1 MC40004 [0,1,0,0,0,1|0,1,1]=4 964 B11R1.157 CC(C)CC1=CC=CC(Br)=C1 MC443308 [0,1,0,0,0,1|1,0,0]=3 965 B11R1.157 CC(C)OC1=CC(Br)=NC=C1 MC430482 [0,1,0,0,0,1|2,0,0]=4 966 B11R1.157 CC(C)OC1=CC=CC(Br)=N1 MC431254 [0,1,0,0,0,1|2,0,0]=4 967 B11R1.157 CC(C)OC1=CC=CC(O)=C1 MC112598 [0,1,0,0,0,1|1,0,0]=3 968 B11R1.157 CN(C)CC1=CC=CC(O)=C1 MC425485 [0,1,0,0,0,1|2,0,0]=4 969 B11R1.157 FC(F)OC1=CC(Br)=CC=C1 MC41372 [0,1,0,0,0,1|2,0,0]=4 970 B11R1.157 NC1=CC(OC(F)F)=CC=C1 CS13961 [0,1,0,0,0,1|2,0,0]=4 971 B11R1.157 NC1=CC(SC(F)F)=CC=C1 MC430927 [0,1,0,0,0,1|2,0,0]=4 972 B11R1.157 OC1=CC(OC(F)F)=CC=C1 MC431656 [0,1,0,0,0,1|2,0,0]=4 973 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 CS11014 [0,1,0,0,0,1|2,0,0]=4 974 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 MC20424 [0,1,0,0,0,1|2,0,0]=4 975 B11R1.509 FC(F)(F)OC1=CC=CC=C1 MC41392 [0,1,0,0,0,1|2,0,0]=4 976 B11R1.509 FC(F)(F)SC1=CC=CC=C1 MC41394 [0,1,0,0,0,1|2,0,0]=4 977 B11R1.3 C(C)(N)C1=CC=C(OC)C=C1 MC20521 [0,2,0,0,0,0|1,0,0]=3 978 B11R1.3 C=C(C)C1=CC=C(OC)C=C1 MC20903 [0,2,0,0,0,0|1,0,1]=4 979 B11R1.3 CC(=O)C1=CC=C(C#N)C=C1 CS18730 [0,2,0,0,0,0|0,1,1]=4 980 B11R1.3 CC(=O)C1=CC=C(CBr)C=C1 CS12193 [0,2,0,0,0,0|0,1,1]=4 981 B11R1.3 CC(C)C1=CC=C(CBr)C=C1 CS14001 [0,2,0,0,0,0|1,0,0]=3 982 B11R1.3 CC(N)C1=CC=C(C#N)C=C1 CS17346 [0,2,0,0,0,0|1,0,0]=3 983 B11R1.3 CC(O)C1=CC=C(C#N)C=C1 CS10987 [0,2,0,0,0,0|0,1,0]=3 984 B11R1.3 CN(C)C1=CC=C(C#N)C=C1 MC40651 [0,2,0,0,0,0|2,0,0]=4 985 B11R1.3 CN(C)C1=CC=C(C=O)C=C1 CS13401 [0,2,0,0,0,0|2,0,0]=4 986 B11R1.3 COC1=CC=C(C(C)=O)C=C1 MC41262 [0,2,0,0,0,0|0,1,1]=4 987 B11R1.3 COC1=CC=C(C(C)C)C=C1 MC41346 [0,2,0,0,0,0|1,0,0]=3 988 B11R1.3 COC1=CC=C(C(C)N)C=C1 CS13954 [0,2,0,0,0,0|1,0,0]=3 989 B11R1.3 COC1=CC=C(N(C)C)C=C1 MC20811 [0,2,0,0,0,0|2,0,0]=4 990 B11R1.3 FC(F)C1=CC=C(CBr)C=C1 MC432592 [0,2,0,0,0,0|2,0,0]=4 991 B11R1.3 N#CC1=CC=C(C(F)F)C=C1 MC433129 [0,2,0,0,0,0|2,0,0]=4 992 B11R1.3 OCC1=CC=C(C(F)F)C=C1 MC102249 [0,2,0,0,0,0|2,0,0]=4 993 B11R1.19 CC(C)(C)C1=CC=C(Br)C=C1 CS19038 [0,2,0,0,0,0|1,0,0]=3 994 B11R1.19 CC(C)(C)C1=CC=C(I)C=C1 CS20810 [0,2,0,0,0,0|1,0,0]=3 995 B11R1.19 CC(C)(C)C1=CC=C(N)C=C1 MC40938 [0,2,0,0,0,0|1,0,0]=3 996 B11R1.19 CC(C)(C)C1=CC=C(O)C=C1 CS16411 [0,2,0,0,0,0|1,0,0]=3 997 B11R1.19 CC(C)(N)C1=NC=C(Br)C=C1 MC102695 [0,2,0,0,0,0|2,0,0]=4 998 B11R1.19 CC(C)(O)C1=CC=C(Br)C=C1 CS14403 [0,2,0,0,0,0|0,1,0]=3 999 B11R1.19 CC(C)(O)C1=CC=C(Br)N=C1 MC106089 [0,2,0,0,0,0|1,1,0]=4 1000 B11R1.19 CC(C)(O)C1=CC=C(N)N=C1 MC21168 [0,2,0,0,0,0|1,1,0]=4 1001 B11R1.19 CC(C)(O)C1=NC=C(Br)C=C1 CS16019 [0,2,0,0,0,0|1,1,0]=4 1002 B11R1.19 CC1=CC=C(C(F)(F)F)C=C1 MC30310 [0,2,0,0,0,0|2,0,0]=4 1003 B11R1.19 CS(=O)(=O)C1=CC=C(Br)C=C1 CS10464 [0,2,0,0,0,0|1,1,0]=4 1004 B11R1.19 CS(=O)(=O)C1=CC=C(Cl)C=C1 CS16414 [0,2,0,0,0,0|1,1,0]=4 1005 B11R1.19 CS(=O)(=O)C1=CC=C(F)C=C1 CS20302 [0,2,0,0,0,0|1,1,0]=4 1006 B11R1.19 CS(=O)(=O)C1=CC=C(N)C=C1 CS20413 [0,2,0,0,0,0|1,1,0]=4 1007 B11R1.19 CS(=O)(=O)C1=CC=C(O)C=C1 CS20393 [0,2,0,0,0,0|1,1,0]=4 1008 B11R1.19 C[Si](C)(C)c1ccc(F)cc1 MC433556 [0,2,0,0,0,0|1,1,0]=4 1009 B11R1.19 FC(F)(Br)c1ccc(Cl)cc1 MC430822 [0,2,0,0,0,0|2,0,0]=4 1010 B11R1.19 FC(F)(F)C1=CC=C(Br)C=C1 CS14293 [0,2,0,0,0,0|2,0,0]=4 1011 B11R1.19 FC(F)(F)C1=CC=C(Cl)C=C1 MC41436 [0,2,0,0,0,0|2,0,0]=4 1012 B11R1.19 FC(F)(F)C1=CC=C(I)C=C1 CS10287 [0,2,0,0,0,0|2,0,0]=4 1013 B11R1.19 FC(F)(F)C1=CC=C(S)C=C1 MC41416 [0,2,0,0,0,0|2,0,0]=4 1014 B11R1.19 FC1=CC=C(C(F)(F)F)C=C1 CS19920 [0,2,0,0,0,0|2,0,0]=4 1015 B11R1.19 NC1=CC=C(C(F)(F)F)C=C1 CS10421 [0,2,0,0,0,0|2,0,0]=4 1016 B11R1.19 OC1=CC=C(C(F)(F)F)C=C1 CS20124 [0,2,0,0,0,0|2,0,0]=4 1017 B11R1.19 OC1=CC=C(C(F)(F)F)C=C1 MC30347 [0,2,0,0,0,0|2,0,0]=4 1018 B11R1.21 CC(=O)C1=CC(Br)=C(C)C=C1 MC41231 [0,2,0,0,0,0|0,1,1]=4 1019 B11R1.21 CC(=O)C1=CC(Br)=C(F)C=C1 MC41229 [0,2,0,0,0,0|0,1,1]=4 1020 B11R1.21 CC(=O)C1=CC(Br)=C(N)C=C1 CS20410 [0,2,0,0,0,0|0,1,1]=4 1021 B11R1.21 CC(=O)C1=CC(C)=C(Cl)C=C1 MC41240 [0,2,0,0,0,0|0,1,1]=4 1022 B11R1.21 CC(=O)C1=CC(C)=C(F)C=C1 CS21693 [0,2,0,0,0,0|0,1,1]=4 1023 B11R1.21 CC(=O)C1=CC(Cl)=C(Br)C=C1 CS15561 [0,2,0,0,0,0|0,1,1]=4 1024 B11R1.21 CC(=O)C1=CC(Cl)=C(Cl)C=C1 CS10715 [0,2,0,0,0,0|0,1,1]=4 1025 B11R1.21 CC(=O)C1=CC(Cl)=C(F)C=C1 CS18939 [0,2,0,0,0,0|0,1,1]=4 1026 B11R1.21 CC(=O)C1=CC(F)=C(Br)C=C1 CS22282 [0,2,0,0,0,0|0,1,1]=4 1027 B11R1.21 CC(=O)C1=CC(F)=C(N)C=C1 CS16308 [0,2,0,0,0,0|0,1,1]=4 1028 B11R1.21 CC(=O)C1=CC(F)=C(O)C=C1 CS10813 [0,2,0,0,0,0|0,1,1]=4 1029 B11R1.21 CC(=O)C1=CC(O)=C(O)C=C1 CS10863 [0,2,0,0,0,0|0,1,1]=4 1030 B11R1.21 CC(=O)c1ccc(Br)c(Br)c1 MC433228 [0,2,0,0,0,0|0,1,1]=4 1031 B11R1.21 CC(=O)c1ccc(Cl)c(F)c1 MC433221 [0,2,0,0,0,0|0,1,1]=4 1032 B11R1.21 CC(=O)c1ccc(Cl)c(N)c1 MC433203 [0,2,0,0,0,0|0,1,1]=4 1033 B11R1.21 CC(=O)c1ccc(F)c(F)c1 CS19019 [0,2,0,0,0,0|0,1,1]=4 1034 B11R1.21 CC(=O)c1ccc(F)c(N)c1 MC433205 [0,2,0,0,0,0|0,1,1]=4 1035 B11R1.21 CC(C)C1=CC(I)=C(N)C=C1 MC112792 [0,2,0,0,0,0|1,0,0]=3 1036 B11R1.21 CC(C)C1=CC(O)=C(I)C=C1 MC443561 [0,2,0,0,0,0|1,0,0]=3 1037 B11R1.21 CC(C)C1=CC=C(N)C(N)=C1 MC107237 [0,2,0,0,0,0|1,0,0]=3 1038 B11R1.21 CC(N)C1=CC(F)=C(Cl)C=C1 CS14514 [0,2,0,0,0,0|1,0,0]=3 1039 B11R1.21 CC(N)C1=CC(F)=C(Cl)C=C1 MC106197 [0,2,0,0,0,0|1,0,0]=3 1040 B11R1.21 CC(O)C1=CC(F)=C(F)C=C1 MC40732 [0,2,0,0,0,0|0,1,0]=3 1041 B11R1.21 CC1=C(N)C=C(C(C)C)C=C1 MC433331 [0,2,0,0,0,0|1,0,0]=3 1042 B11R1.21 CC1=C(O)C=C(C(C)C)C=C1 MC20541 [0,2,0,0,0,0|1,0,0]=3 1043 B11R1.21 CN(C)C1=CC(F)=C(I)C=C1 MC442229 [0,2,0,0,0,0|2,0,0]=4 1044 B11R1.21 FC(F)C1=CC(Br)=C(Cl)C=C1 MC432572 [0,2,0,0,0,0|2,0,0]=4 1045 B11R1.22 CC(C#N)C1=CC=C(Br)C=C1 MC427374 [0,2,0,0,0,0|1,0,0]=3 1046 B11R1.22 CC(CN)C1=CC=C(Br)C=C1 MC103018 [0,2,0,0,0,0|1,0,0]=3 1047 B11R1.22 CC(CN)C1=CC=C(Br)C=C1 MC427281 [0,2,0,0,0,0|1,0,0]=3 1048 B11R1.22 CC(CN)C1=CC=C(O)C=C1 MC116255 [0,2,0,0,0,0|1,0,0]=3 1049 B11R1.22 CC(NN)C1=CC=C(Cl)C=C1 MC110625 [0,2,0,0,0,0|1,0,0]=3 1050 B11R1.22 CCC(=O)C1=CC=C(Br)C=C1 CS22698 [0,2,0,0,0,0|0,1,1]=4 1051 B11R1.22 CCC(=O)C1=CC=C(Cl)C=C1 CS22795 [0,2,0,0,0,0|0,1,1]=4 1052 B11R1.22 CCC(=O)C1=CC=C(F)C=C1 CS22846 [0,2,0,0,0,0|0,1,1]=4 1053 B11R1.22 CCC(=O)C1=CC=C(O)C=C1 CS15690 [0,2,0,0,0,0|0,1,1]=4 1054 B11R1.22 CCC(C)C1=CC=C(Br)C=C1 CS18281 [0,2,0,0,0,0|1,0,0]=3 1055 B11R1.22 COC(=O)C1=CC=C(Br)C=C1 CS15303 [0,2,0,0,0,0|0,1,1]=4 1056 B11R1.22 COC(=O)C1=CC=C(C)C=C1 MC40114 [0,2,0,0,0,0|0,1,1]=4 1057 B11R1.22 COC(=O)C1=CC=C(F)C=C1 CS20841 [0,2,0,0,0,0|0,1,1]=4 1058 B11R1.22 COC(=O)C1=CC=C(I)C=C1 CS20853 [0,2,0,0,0,0|0,1,1]=4 1059 B11R1.22 COC(=O)C1=CC=C(N)C=C1 CS20990 [0,2,0,0,0,0|0,1,1]=4 1060 B11R1.22 COC(=O)C1=CC=C(O)C=C1 CS19446 [0,2,0,0,0,0|0,1,1]=4 1061 B11R1.22 FC1=CC=C(C(Br)CBr)C=C1 MC430994 [0,2,0,0,0,0|1,0,0]=3 1062 B11R1.22 NC(CO)C1=NC=C(F)C=C1 MC114776 [0,2,0,0,0,0|2,0,0]=4 1063 B11R1.22 NCC(=O)C1=CC=C(Br)C=C1 CS10839 [0,2,0,0,0,0|0,1,1]=4 1064 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 CS20894 [0,2,0,0,0,0|0,1,1]=4 1065 B11R1.22 NCC(O)C1=CC=C(Cl)C=C1 MC431262 [0,2,0,0,0,0|0,1,0]=3 1066 B11R1.22 O=C(CBr)C1=CC=C(Br)C=C1 CS19445 [0,2,0,0,0,0|0,1,1]=4 1067 B11R1.22 O=C(CBr)C1=CC=C(Cl)C=C1 MC433210 [0,2,0,0,0,0|0,1,1]=4 1068 B11R1.22 O=C(CBr)C1=CC=C(F)C=C1 CS20678 [0,2,0,0,0,0|0,1,1]=4 1069 B11R1.22 O=C(CBr)C1=CC=C(O)C=C1 CS10771 [0,2,0,0,0,0|0,1,1]=4 1070 B11R1.22 O=C(CCl)C1=CC=C(Br)C=C1 CS14324 [0,2,0,0,0,0|0,1,1]=4 1071 B11R1.22 O=C(CCl)C1=CC=C(F)C=C1 MC41236 [0,2,0,0,0,0|0,1,1]=4 1072 B11R1.22 OCC(O)C1=CC=C(Br)C=C1 MC442284 [0,2,0,0,0,0|0,1,0]=3 1073 B11R1.166 CC(=O)C1=C(Br)C=C(F)C=C1 MC41228 [0,2,0,0,0,0|0,1,1]=4 1074 B11R1.166 CC(=O)C1=C(Br)C=C(N)C=C1 MC433202 [0,2,0,0,0,0|0,1,1]=4 1075 B11R1.166 CC(=O)C1=C(Br)C=C(O)C=C1 CS21355 [0,2,0,0,0,0|0,1,1]=4 1076 B11R1.166 CC(=O)C1=C(C)C=C(F)C=C1 MC41255 [0,2,0,0,0,0|0,1,1]=4 1077 B11R1.166 CC(=O)C1=C(Cl)C=C(Br)C=C1 CS14036 [0,2,0,0,0,0|0,1,1]=4 1078 B11R1.166 CC(=O)C1=C(Cl)C=C(Cl)C=C1 CS21093 [0,2,0,0,0,0|0,1,1]=4 1079 B11R1.166 CC(=O)C1=C(Cl)C=C(F)C=C1 CS21444 [0,2,0,0,0,0|0,1,1]=4 1080 B11R1.166 CC(=O)C1=C(Cl)C=C(N)C=C1 MC425453 [0,2,0,0,0,0|0,1,1]=4 1081 B11R1.166 CC(=O)C1=C(Cl)C=C(O)C=C1 CS20824 [0,2,0,0,0,0|0,1,1]=4 1082 B11R1.166 CC(=O)C1=C(F)C=C(Br)C=C1 CS20682 [0,2,0,0,0,0|0,1,1]=4 1083 B11R1.166 CC(=O)C1=C(F)C=C(C)C=C1 MC430999 [0,2,0,0,0,0|0,1,1]=4 1084 B11R1.166 CC(=O)C1=C(F)C=C(Cl)C=C1 CS22739 [0,2,0,0,0,0|0,1,1]=4 1085 B11R1.166 CC(=O)C1=C(F)C=C(F)C=C1 CS19013 [0,2,0,0,0,0|0,1,1]=4 1086 B11R1.166 CC(=O)C1=C(F)C=C(O)C=C1 CS16419 [0,2,0,0,0,0|0,1,1]=4 1087 B11R1.166 CC(=O)C1=C(N)C=C(F)C=C1 MC431781 [0,2,0,0,0,0|0,1,1]=4 1088 B11R1.166 CC(=O)C1=C(O)C=C(Br)C=C1 CS22645 [0,2,0,0,0,0|0,1,1]=4 1089 B11R1.166 CC(=O)C1=C(O)C=C(Cl)C=C1 MC10406 [0,2,0,0,0,0|0,1,1]=4 1090 B11R1.166 CC(=O)C1=C(O)C=C(F)C=C1 MC10405 [0,2,0,0,0,0|0,1,1]=4 1091 B11R1.166 CC(=O)C1=C(O)C=C(N)C=C1 CS20409 [0,2,0,0,0,0|0,1,1]=4 1092 B11R1.166 CC(=O)C1=C(O)C=C(O)C=C1 CS19678 [0,2,0,0,0,0|0,1,1]=4 1093 B11R1.166 CC(N)C1=C(F)C=C(Br)C=C1 MC106556 [0,2,0,0,0,0|1,0,0]=3 1094 B11R1.166 CC(O)C1=C(Cl)C=C(Cl)C=C1 MC40730 [0,2,0,0,0,0|0,1,0]=3 1095 B11R1.166 CC(O)C1=NC=C(Br)C=C1F MC431737 [0,2,0,0,0,0|1,1,0]=4 1096 B11R1.166 CC1=C(C(C)N)C=CC(F)=C1 MC112478 [0,2,0,0,0,0|1,0,0]=3 1097 B11R1.166 CC1=CC(Br)=C(C(C)N)C=C1 MC112224 [0,2,0,0,0,0|1,0,0]=3 1098 B11R1.166 CC1=CC(C)=C(C(F)F)C=C1 MC433526 [0,2,0,0,0,0|2,0,0]=4 1099 B11R1.166 ClC1=CC(Cl)=C(C(Cl)Cl)C=C1 MC40610 [0,2,0,0,0,0|2,0,0]=4 1100 B11R1.7 C#CC(C)(O)C1=CC=CC=C1 MC425780 [0,2,0,0,0,0|0,1,0]=3 1101 B11R1.7 CC(Br)(CBr)C1=CC=NC=C1 MC111871 [0,2,0,0,0,0|2,0,0]=4 1102 B11R1.7 FC(F)(CBr)C1=CC=CC=C1 MC106429 [0,2,0,0,0,0|1,0,0]=3 1103 B11R1.7 NCC(F)(F)C1=NC=CC=C1 MC104009 [0,2,0,0,0,0|2,0,0]=4 1104 B11R1.7 OCC(F)(F)C1=CC=CC=C1 MC430789 [0,2,0,0,0,0|1,0,0]=3 1105 B11R1.12 CCP(CC)c1ccccc1 MC444851 [0,2,0,0,0,0|2,0,0]=4 1106 B11R1.12 CNC(CO)C1=CC=CC=C1 CS17955 [0,2,0,0,0,0|0,1,0]=3 1107 B11R1.12 COC(OC)c1ccccc1 CS10959 [0,2,0,0,0,0|0,1,0]=3 1108 B11R1.12 COP(OC)C1=CC=CC=C1 MC444856 [0,2,0,0,0,0|1,1,0]=4 1109 B11R1.12 NCC(CO)C1=CC=CC=C1 MC105854 [0,2,0,0,0,0|0,1,0]=3 1110 B11R1.12 NCC(CO)C1=CC=CC=C1 MC105855 [0,2,0,0,0,0|0,1,0]=3 1111 B11R1.12 OCC(CO)C1=CC=CC=C1 CS21198 [0,2,0,0,0,0|0,1,0]=3 1112 B11R1.16 CC(N=C=O)C1=CC=CC=C1 MC20438 [0,2,0,0,0,0|0,1,0]=3 1113 B11R1.16 CN(CCN)C1=CC=CC=C1 CS11704 [0,2,0,0,0,0|2,0,0]=4 1114 B11R1.16 CNCC(C)C1=CC=CC=C1 MC446681 [0,2,0,0,0,0|1,0,0]=3 1115 B11R1.16 CNCC(O)C1=CC=CC=C1 MC446674 [0,2,0,0,0,0|0,1,0]=3 1116 B11R1.16 N#CCC(=O)C1=CC=CC=C1 CS10995 [0,2,0,0,0,0|0,1,1]=4 1117 B11R1.16 NC(CCO)C1=CC=CC=C1 CS18735 [0,2,0,0,0,0|1,0,0]=3 1118 B11R1.16 NC(CCO)C1=CC=CC=C1 CS21217 [0,2,0,0,0,0|1,0,0]=3 1119 B11R1.16 O=C(CCCl)C1=CC=CC=C1 MC41279 [0,2,0,0,0,0|0,1,1]=4 1120 B11R1.16 OC(CCCl)C1=CC=CC=C1 CS10897 [0,2,0,0,0,0|0,1,0]=3 1121 B11R1.16 OC(CCCl)C1=CC=CC=C1 CS22197 [0,2,0,0,0,0|0,1,0]=3 1122 B11R1.16 OC(CCCl)C1=CC=CC=C1 MC20313 [0,2,0,0,0,0|0,1,0]=3 1123 B11R1.23 CCC(=O)C1=CC(Br)=CC=C1 MC41278 [0,2,0,0,0,0|0,1,1]=4 1124 B11R1.23 CCC(=O)C1=CC(Cl)=CC=C1 MC41280 [0,2,0,0,0,0|0,1,1]=4 1125 B11R1.23 CCC(=O)C1=CC(F)=CC=C1 MC41284 [0,2,0,0,0,0|0,1,1]=4 1126 B11R1.23 CCC(=O)C1=CC(N)=CC=C1 MC433258 [0,2,0,0,0,0|0,1,1]=4 1127 B11R1.23 CCC(N)C1=CC(Br)=CN=C1 MC112156 [0,2,0,0,0,0|2,0,0]=4 1128 B11R1.23 COC(=O)C1=CC(Br)=CC=C1 CS20038 [0,2,0,0,0,0|0,1,1]=4 1129 B11R1.23 COC(=O)C1=CC(C)=CC=C1 MC40113 [0,2,0,0,0,0|0,1,1]=4 1130 B11R1.23 COC(=O)C1=CC(Cl)=CC=C1 CS11622 [0,2,0,0,0,0|0,1,1]=4 1131 B11R1.23 COC(=O)C1=CC(F)=CC=C1 MC40102 [0,2,0,0,0,0|0,1,1]=4 1132 B11R1.23 COC(=O)C1=CC(I)=CC=C1 CS19204 [0,2,0,0,0,0|0,1,1]=4 1133 B11R1.23 COC(=O)C1=CC(N)=CC=C1 MC40055 [0,2,0,0,0,0|0,1,1]=4 1134 B11R1.23 COC(=O)C1=CC(O)=CC=C1 CS13404 [0,2,0,0,0,0|0,1,1]=4 1135 B11R1.23 COC(=O)C1=CC(S)=CC=C1 MC100369 [0,2,0,0,0,0|0,1,1]=4 1136 B11R1.23 NC(CO)C1=CC(I)=CC=C1 MC103511 [0,2,0,0,0,0|1,0,0]=3 1137 B11R1.23 NCC(O)C1=CC(Br)=CC=C1 MC111476 [0,2,0,0,0,0|0,1,0]=3 1138 B11R1.23 O=C(CBr)C1=CC(Br)=CC=C1 MC41245 [0,2,0,0,0,0|0,1,1]=4 1139 B11R1.23 O=C(CBr)C1=CC(Cl)=CC=C1 CS19056 [0,2,0,0,0,0|0,1,1]=4 1140 B11R1.23 O=C(CBr)C1=CC(F)=CC=C1 CS15383 [0,2,0,0,0,0|0,1,1]=4 1141 B11R1.23 O=C(CBr)C1=CC(O)=CC=C1 MC433217 [0,2,0,0,0,0|0,1,1]=4 1142 B11R1.23 O=C(CCl)C1=CC(Cl)=CC=C1 MC20163 [0,2,0,0,0,0|0,1,1]=4 1143 B11R1.23 OC(CBr)C1=CC(Br)=CC=C1 MC111475 [0,2,0,0,0,0|0,1,0]=3 1144 B11R1.222 CC(CO)C1=C(Cl)C=CC=C1 MC111290 [0,2,0,0,0,0|0,1,0]=3 1145 B11R1.222 CCC(=O)C1=C(Cl)C=CC=C1 CS15813 [0,2,0,0,0,0|0,1,1]=4 1146 B11R1.222 CCC(=O)C1=C(N)C=CC=C1 MC430440 [0,2,0,0,0,0|0,1,1]=4 1147 B11R1.222 CCC(C)C1=C(N)C=CC=C1 CS21765 [0,2,0,0,0,0|1,0,0]=3 1148 B11R1.222 CCC(N)C1=C(C)C=CC=C1 CS14530 [0,2,0,0,0,0|1,0,0]=3 1149 B11R1.222 CNC(=O)C1=C(N)C=CC=C1 CS20442 [0,2,0,0,0,0|0,1,1]=4 1150 B11R1.222 CNC(=O)C1=C(S)C=CC=C1 MC42220 [0,2,0,0,0,0|0,1,1]=4 1151 B11R1.222 COC(=O)C1=C(Br)C=CC=C1 MC20192 [0,2,0,0,0,0|0,1,1]=4 1152 B11R1.222 COC(=O)C1=C(F)C=CC=C1 CS11605 [0,2,0,0,0,0|0,1,1]=4 1153 B11R1.222 COC(=O)C1=C(I)C=CC=C1 CS15277 [0,2,0,0,0,0|0,1,1]=4 1154 B11R1.222 COC(=O)C1=C(N)C=CC=C1 CS13618 [0,2,0,0,0,0|0,1,1]=4 1155 B11R1.222 COC(=O)C1=C(S)C=CC=C1 MC40110 [0,2,0,0,0,0|0,1,1]=4 1156 B11R1.222 NCC(=O)C1=C(F)C=CC=C1 CS15388 [0,2,0,0,0,0|0,1,1]=4 1157 B11R1.222 NCC(O)C1=C(F)C=CC=C1 MC431432 [0,2,0,0,0,0|0,1,0]=3 1158 B11R1.222 NCC(O)C1=C(I)C=CC=C1 CS17962 [0,2,0,0,0,0|0,1,0]=3 1159 B11R1.222 O=C(CBr)C1=C(Cl)C=CC=C1 CS14555 [0,2,0,0,0,0|0,1,1]=4 1160 B11R1.222 O=C(CBr)C1=C(O)C=CC=C1 MC41230 [0,2,0,0,0,0|0,1,1]=4 1161 B11R1.87 CC(C)(C)C1=C(F)C=CC=C1 MC107238 [0,2,0,0,0,0|1,0,0]=3 1162 B11R1.87 CC(C)(C)C1=C(N)C=CC=C1 CS21769 [0,2,0,0,0,0|1,0,0]=3 1163 B11R1.87 CC(C)(C)C1=C(O)C=CC=C1 CS21771 [0,2,0,0,0,0|1,0,0]=3 1164 B11R1.87 CC(C)(C)C1=NC=CC=C1O MC431053 [0,2,0,0,0,0|2,0,0]=4 1165 B11R1.87 CC1=C(C(C)(C)C)C=CC=C1 MC434015 [0,2,0,0,0,0|1,0,0]=3 1166 B11R1.87 CC1=C(C(F)(F)F)C=CC=C1 MC20049 [0,2,0,0,0,0|2,0,0]=4 1167 B11R1.87 CP(C)(=O)C1=C(N)C=CC=C1 MC114477 [0,2,0,0,0,0|1,1,0]=4 1168 B11R1.87 FC(F)(F)C1=C(Br)C=CC=C1 MC41425 [0,2,0,0,0,0|2,0,0]=4 1169 B11R1.87 FC(F)(F)C1=C(Cl)C=CC=C1 MC41435 [0,2,0,0,0,0|2,0,0]=4 1170 B11R1.87 FC(F)(F)C1=C(I)C=CC=C1 MC429593 [0,2,0,0,0,0|2,0,0]=4 1171 B11R1.87 FC(F)(F)C1=C(S)C=CC=C1 MC41414 [0,2,0,0,0,0|2,0,0]=4 1172 B11R1.87 FC1=C(C(F)(F)F)C=CC=C1 CS19918 [0,2,0,0,0,0|2,0,0]=4 1173 B11R1.87 NC1=C(C(F)(F)F)C=CC=C1 CS19388 [0,2,0,0,0,0|2,0,0]=4 1174 B11R1.87 OC1=C(C(F)(F)F)C=CC=C1 CS14396 [0,2,0,0,0,0|2,0,0]=4 1175 B11R1.155 CC(C)(C)C1=CC(=O)C=CN1 MC106379 [0,2,0,0,0,0|2,0,0]=4 1176 B11R1.155 CC(C)(C)C1=CC(=O)C=CO1 MC106378 [0,2,0,0,0,0|2,0,0]=4 1177 B11R1.155 CC(C)(C)C1=CC(Br)=NC=C1 MC430325 [0,2,0,0,0,0|2,0,0]=4 1178 B11R1.155 CC(C)(C)C1=CC(Cl)=NC=C1 MC432172 [0,2,0,0,0,0|2,0,0]=4 1179 B11R1.155 CC(C)(C)C1=CC=CC(Br)=C1 MC442358 [0,2,0,0,0,0|1,0,0]=3 1180 B11R1.155 CC(C)(C)C1=CC=CC(Br)=N1 MC106553 [0,2,0,0,0,0|2,0,0]=4 1181 B11R1.155 CC(C)(C)C1=CC=CC(N)=C1 CS11182 [0,2,0,0,0,0|1,0,0]=3 1182 B11R1.155 CC(C)(C)C1=CC=CC(O)=N1 MC429684 [0,2,0,0,0,0|2,0,0]=4 1183 B11R1.155 CC(C)(C)C1=NC=CC(Br)=C1 MC33358 [0,2,0,0,0,0|2,0,0]=4 1184 B11R1.155 CC(C)(N)C1=CC(Br)=CN=C1 MC105194 [0,2,0,0,0,0|2,0,0]=4 1185 B11R1.155 CC(C)(N)C1=NC(Br)=CC=C1 MC111294 [0,2,0,0,0,0|2,0,0]=4 1186 B11R1.155 CC(C)(O)C1=CC=CC(O)=C1 MC105736 [0,2,0,0,0,0|0,1,0]=3 1187 B11R1.155 CC(C)(O)C1=NC(Br)=CC=C1 CS16576 [0,2,0,0,0,0|1,1,0]=4 1188 B11R1.155 CC1=CC=CC(C(F)(F)F)=C1 MC20050 [0,2,0,0,0,0|2,0,0]=4 1189 B11R1.155 CS(=O)(=O)C1=CC=CC(Br)=C1 CS10461 [0,2,0,0,0,0|1,1,0]=4 1190 B11R1.155 CS(=O)(=O)C1=CC=CC(F)=C1 CS16715 [0,2,0,0,0,0|1,1,0]=4 1191 B11R1.155 CS(=O)(=O)C1=CC=CC(N)=C1 MC40930 [0,2,0,0,0,0|1,1,0]=4 1192 B11R1.155 FC(F)(F)C1=CC(Cl)=CC=C1 MC20166 [0,2,0,0,0,0|2,0,0]=4 1193 B11R1.155 FC(F)(F)C1=CC(I)=CC=C1 MC429604 [0,2,0,0,0,0|2,0,0]=4 1194 B11R1.155 FC(F)(F)C1=CC=CC(Br)=C1 CS19045 [0,2,0,0,0,0|2,0,0]=4 1195 B11R1.155 FC(F)(F)C1=CC=CC(S)=C1 MC41415 [0,2,0,0,0,0|2,0,0]=4 1196 B11R1.155 FC1=CC=CC(C(F)(F)F)=C1 CS19919 [0,2,0,0,0,0|2,0,0]=4 1197 B11R1.155 NC1=CC(C(F)(F)F)=CC=C1 CS16403 [0,2,0,0,0,0|2,0,0]=4 1198 B11R1.155 OC1=CC(C(F)(F)F)=CC=C1 CS16405 [0,2,0,0,0,0|2,0,0]=4 1199 B11R1.53 CC(=O)C1=C(C#N)C=CC=C1 CS21523 [0,2,0,0,0,0|0,1,1]=4 1200 B11R1.53 CC(C)C1=C(C=O)C=CC=C1 MC441019 [0,2,0,0,0,0|1,0,0]=3 1201 B11R1.53 CC(C)C1=C(CBr)C=CC=C1 MC103557 [0,2,0,0,0,0|1,0,0]=3 1202 B11R1.53 COC1=C(C(C)=O)C=CC=C1 MC41261 [0,2,0,0,0,0|0,1,1]=4 1203 B11R1.53 COC1=C(C(C)N)C=CC=C1 CS15754 [0,2,0,0,0,0|1,0,0]=3 1204 B11R1.53 N#CC1=C(C(Cl)Cl)C=CC=C1 MC40640 [0,2,0,0,0,0|2,0,0]=4 1205 B11R1.53 O=CC1=C(C(F)F)C=CC=C1 CS15613 [0,2,0,0,0,0|2,0,0]=4 1206 B11R1.156 CC(=O)C1=C(Br)C=CC=C1F CS13264 [0,2,0,0,0,0|0,1,1]=4 1207 B11R1.156 CC(=O)C1=C(Br)C=CC=C1O CS15783 [0,2,0,0,0,0|0,1,1]=4 1208 B11R1.156 CC(=O)C1=C(Cl)C=CC=C1Cl MC41246 [0,2,0,0,0,0|0,1,1]=4 1209 B11R1.156 CC(=O)C1=C(Cl)C=CC=C1F MC41237 [0,2,0,0,0,0|0,1,1]=4 1210 B11R1.156 CC(=O)C1=C(F)C=CC=C1F CS18713 [0,2,0,0,0,0|0,1,1]=4 1211 B11R1.156 CC(=O)C1=C(F)C=CC=C1O CS19423 [0,2,0,0,0,0|0,1,1]=4 1212 B11R1.156 CC(=O)C1=C(O)C=CC=C1O CS21180 [0,2,0,0,0,0|0,1,1]=4 1213 B11R1.156 CC(C)C1=C(O)C=CC=C1N MC442273 [0,2,0,0,0,0|1,0,0]=3 1214 B11R1.156 CC(N)C1=C(F)C=NC=C1F MC429825 [0,2,0,0,0,0|2,0,0]=4 1215 B11R1.156 CC(O)C1=C(F)C=CC=C1F MC40731 [0,2,0,0,0,0|0,1,0]=3 1216 B11R1.159 CC(=O)C1=C(C)C(C)=CC=C1 MC33077 [0,2,0,0,0,0|0,1,1]=4 1217 B11R1.159 CC(=O)C1=C(Cl)C(Cl)=CC=C1 CS21018 [0,2,0,0,0,0|0,1,1]=4 1218 B11R1.159 CC(=O)C1=C(Cl)C(F)=CC=C1 MC41235 [0,2,0,0,0,0|0,1,1]=4 1219 B11R1.159 CC(=O)C1=C(F)C(Br)=CC=C1 MC20204 [0,2,0,0,0,0|0,1,1]=4 1220 B11R1.159 CC(=O)C1=C(F)C(F)=CC=C1 MC31073 [0,2,0,0,0,0|0,1,1]=4 1221 B11R1.159 CC(=O)C1=C(F)C(O)=CC=C1 MC442382 [0,2,0,0,0,0|0,1,1]=4 1222 B11R1.159 CC(=O)C1=C(N)C(F)=CC=C1 MC443630 [0,2,0,0,0,0|0,1,1]=4 1223 B11R1.159 CC(=O)C1=C(N)C(O)=CC=C1 CS20991 [0,2,0,0,0,0|0,1,1]=4 1224 B11R1.159 CC(=O)C1=C(O)C(Br)=CC=C1 CS20407 [0,2,0,0,0,0|0,1,1]=4 1225 B11R1.159 CC(=O)C1=C(O)C(C)=CC=C1 CS13325 [0,2,0,0,0,0|0,1,1]=4 1226 B11R1.159 CC(=O)C1=C(O)C(Cl)=CC=C1 CS10781 [0,2,0,0,0,0|0,1,1]=4 1227 B11R1.159 CC(=O)C1=C(O)C(N)=CC=C1 CS15701 [0,2,0,0,0,0|0,1,1]=4 1228 B11R1.159 CC(=O)C1=C(O)C(O)=CC=C1 CS20939 [0,2,0,0,0,0|0,1,1]=4 1229 B11R1.159 CC(=O)c1cccc(Br)c1N MC433201 [0,2,0,0,0,0|0,1,1]=4 1230 B11R1.159 CC(C)C1=C(O)C(O)=CC=C1 MC443613 [0,2,0,0,0,0|1,0,0]=3 1231 B11R1.159 CC(C)C1=CC=CC(Br)=C1O MC442830 [0,2,0,0,0,0|1,0,0]=3 1232 B11R1.159 CC(C)C1=CC=CC(Cl)=C1O MC441235 [0,2,0,0,0,0|1,0,0]=3 1233 B11R1.159 CC(C)C1=CC=CC(O)=C1F MC442499 [0,2,0,0,0,0|1,0,0]=3 1234 B11R1.159 CC1=CC=CC(C(C)C)=C1N MC428273 [0,2,0,0,0,0|1,0,0]=3 1235 B11R1.167 C=C(C)C1=C(Cl)C=CC(Br)=C1 MC111656 [0,2,0,0,0,0|1,0,1]=4 1236 B11R1.167 CC(=O)C1=C(Br)C=CC(Cl)=C1 CS14948 [0,2,0,0,0,0|0,1,1]=4 1237 B11R1.167 CC(=O)C1=C(Br)C=CC(F)=C1 MC10476 [0,2,0,0,0,0|0,1,1]=4 1238 B11R1.167 CC(=O)C1=C(C)C=CC(F)=C1 MC41256 [0,2,0,0,0,0|0,1,1]=4 1239 B11R1.167 CC(=O)C1=C(Cl)C=CC(Br)=C1 MC33032 [0,2,0,0,0,0|0,1,1]=4 1240 B11R1.167 CC(=O)C1=C(Cl)C=CC(Cl)=C1 CS21139 [0,2,0,0,0,0|0,1,1]=4 1241 B11R1.167 CC(=O)C1=C(Cl)C=CC(F)=C1 CS10721 [0,2,0,0,0,0|0,1,1]=4 1242 B11R1.167 CC(=O)C1=C(F)C=CC(Br)=C1 CS12150 [0,2,0,0,0,0|0,1,1]=4 1243 B11R1.167 CC(=O)C1=C(F)C=CC(C)=C1 MC41254 [0,2,0,0,0,0|0,1,1]=4 1244 B11R1.167 CC(=O)C1=C(F)C=CC(F)=C1 CS18839 [0,2,0,0,0,0|0,1,1]=4 1245 B11R1.167 CC(=O)C1=C(F)C=CC(N)=C1 MC41223 [0,2,0,0,0,0|0,1,1]=4 1246 B11R1.167 CC(=O)C1=C(F)C=CC(O)=C1 MC442384 [0,2,0,0,0,0|0,1,1]=4 1247 B11R1.167 CC(=O)C1=C(I)C=CC(F)=C1 MC10366 [0,2,0,0,0,0|0,1,1]=4 1248 B11R1.167 CC(=O)C1=C(N)C=CC(Br)=C1 CS12985 [0,2,0,0,0,0|0,1,1]=4 1249 B11R1.167 CC(=O)C1=C(N)C=CC(Cl)=C1 CS12192 [0,2,0,0,0,0|0,1,1]=4 1250 B11R1.167 CC(=O)C1=C(N)C=CC(F)=C1 CS15935 [0,2,0,0,0,0|0,1,1]=4 1251 B11R1.167 CC(=O)C1=C(O)C=CC(Br)=C1 MC10135 [0,2,0,0,0,0|0,1,1]=4 1252 B11R1.167 CC(=O)C1=C(O)C=CC(Cl)=C1 CS13715 [0,2,0,0,0,0|0,1,1]=4 1253 B11R1.167 CC(=O)C1=C(O)C=CC(F)=C1 CS20840 [0,2,0,0,0,0|0,1,1]=4 1254 B11R1.167 CC(=O)C1=C(O)C=CC(N)=C1 MC33295 [0,2,0,0,0,0|0,1,1]=4 1255 B11R1.167 CC(=O)C1=C(O)C=CC(O)=C1 CS19932 [0,2,0,0,0,0|0,1,1]=4 1256 B11R1.167 CC(C)C1=C(O)C=CC(Br)=C1 MC443460 [0,2,0,0,0,0|1,0,0]=3 1257 B11R1.167 CC(C)C1=C(O)C=CC(Cl)=C1 MC442236 [0,2,0,0,0,0|1,0,0]=3 1258 B11R1.167 CC(C)N1C=C(Br)C=CC1=O MC443448 [0,2,0,0,0,0|2,0,0]=4 1259 B11R1.167 CC(C)c1cc(Br)ccc1Cl MC111654 [0,2,0,0,0,0|1,0,0]=3 1260 B11R1.167 CC(N)C1=C(Br)C=CC(Cl)=C1 MC112227 [0,2,0,0,0,0|1,0,0]=3 1261 B11R1.167 CC(N)C1=C(Br)C=CC(F)=C1 MC112228 [0,2,0,0,0,0|1,0,0]=3 1262 B11R1.167 CC(O)C1=C(F)C=CC(Br)=C1 CS12149 [0,2,0,0,0,0|0,1,0]=3 1263 B11R1.167 CC(O)C1=C(O)C=CC(Br)=C1 MC107819 [0,2,0,0,0,0|0,1,0]=3 1264 B11R1.167 CC(O)C1=CC(Br)=CN=C1Cl MC111360 [0,2,0,0,0,0|1,1,0]=4 1265 B11R1.167 CC(O)C1=CC(Br)=CN=C1F MC430805 [0,2,0,0,0,0|1,1,0]=4 1266 B11R1.167 CC1=C(C(C)C)C=C(Br)C=C1 MC443582 [0,2,0,0,0,0|1,0,0]=3 1267 B11R1.167 FC(F)C1=C(Br)C=CC(Br)=C1 MC432456 [0,2,0,0,0,0|2,0,0]=4 1268 B11R1.167 OC1=C(C(F)F)C=C(F)C=C1 MC431902 [0,2,0,0,0,0|2,0,0]=4 1269 B11R1.74 CC(=O)C1=CC(Br)=CC(F)=C1 MC111196 [0,2,0,0,0,0|0,1,1]=4 1270 B11R1.74 CC(=O)C1=CC(C)=CC(C)=C1 CS11107 [0,2,0,0,0,0|0,1,1]=4 1271 B11R1.74 CC(=O)C1=CC(Cl)=CC(Cl)=C1 CS10716 [0,2,0,0,0,0|0,1,1]=4 1272 B11R1.74 CC(=O)C1=CC(Cl)=CC(F)=C1 MC41238 [0,2,0,0,0,0|0,1,1]=4 1273 B11R1.74 CC(=O)C1=CC(F)=CC(F)=C1 MC30105 [0,2,0,0,0,0|0,1,1]=4 1274 B11R1.74 CC(=O)c1cc(Br)cc(Br)c1 MC433229 [0,2,0,0,0,0|0,1,1]=4 1275 B11R1.74 CC(N)C1=CC(Cl)=CC(Cl)=C1 MC429090 [0,2,0,0,0,0|1,0,0]=3 1276 B11R1.74 CC(N)C1=CC(Cl)=CC(F)=C1 CS17358 [0,2,0,0,0,0|1,0,0]=3 1277 B11R1.74 CC(N)C1=CC(F)=CC(F)=C1 CS14526 [0,2,0,0,0,0|1,0,0]=3 1278 B11R1.74 CC(N)C1=CC(F)=CC(F)=C1 MC429422 [0,2,0,0,0,0|1,0,0]=3 1279 B11R1.74 CC(O)C1=CC(F)=CC(F)=C1 MC433886 [0,2,0,0,0,0|0,1,0]=3 1280 B11R1.74 FC1=CC(Br)=CC(C(F)F)=C1 MC111768 [0,2,0,0,0,0|2,0,0]=4 1281 B11R1.266 CC(=O)C1=CC=CC(C#N)=C1 MC33169 [0,2,0,0,0,0|0,1,1]=4 1282 B11R1.266 CC(=O)c1cccc(CCl)c1 MC30280 [0,2,0,0,0,0|0,1,1]=4 1283 B11R1.266 CC(C)C1=CC(C#N)=NC=C1 MC102219 [0,2,0,0,0,0|2,0,0]=4 1284 B11R1.266 CC(C)C1=CC=CC(C#N)=N1 MC103606 [0,2,0,0,0,0|2,0,0]=4 1285 B11R1.266 CC(C)C1=CC=CC(CBr)=C1 MC103558 [0,2,0,0,0,0|1,0,0]=3 1286 B11R1.266 CN(C)C1=CC(CBr)=CC=C1 MC430239 [0,2,0,0,0,0|2,0,0]=4 1287 B11R1.266 COC1=CC(C(C)N)=NC=C1 MC112203 [0,2,0,0,0,0|2,0,0]=4 1288 B11R1.266 COC1=CC(N(C)C)=CC=C1 MC445041 [0,2,0,0,0,0|2,0,0]=4 1289 B11R1.266 FC(F)C1=CC=CC(CBr)=C1 MC430414 [0,2,0,0,0,0|2,0,0]=4 1290 B11R1.266 O=Cc1cccc(C(F)F)c1 MC432454 [0,2,0,0,0,0|2,0,0]=4 1291 B9R2.50 C1=CC=C2CCC2=C1 CS19267 [1,0,0,1,0,0|0,0,0]=2 1292 B11R2.4 NC1CC1C2=CC=CC=C2 MC100890 [0,0,0,1,0,1|1,0,0]=3 1293 B11R2.4 NC1CC1C2=CC=CC=C2 MC106461 [0,0,0,1,0,1|1,0,0]=3 1294 B11R2.10 BrC1=CC2=CC=CC=C2C1 CS21490 [0,0,0,1,0,1|1,0,1]=4 1295 B11R2.10 BrC1=NC2=C(C=CC=C2)S1 CS14031 [0,0,0,1,0,1|1,0,1]=4 1296 B11R2.10 CC1=CC2=CC=CC=C2C1 CS11052 [0,0,0,1,0,1|1,0,1]=4 1297 B11R2.10 CC1=CC2=CC=CC=C2N1 CS18563 [0,0,0,1,0,1|1,0,1]=4 1298 B11R2.10 CC1=NC2=C(C=CC=C2)N1 CS15288 [0,0,0,1,0,1|1,0,1]=4 1299 B11R2.10 CC1=NC2=C(C=CC=C2)O1 MC31235 [0,0,0,1,0,1|0,1,1]=4 1300 B11R2.10 CC1=NC2=C(C=CC=C2)S1 CS21687 [0,0,0,1,0,1|0,0,1]=3 1301 B11R2.10 CC1CC2=CC=CC=C2N1 MC105455 [0,0,0,1,0,1|1,0,0]=3 1302 B11R2.10 CC1CC2=CC=CC=C2N1 MC445120 [0,0,0,1,0,1|1,0,0]=3 1303 B11R2.10 ClC1=NC2=C(C=CC=C2)S1 CS20002 [0,0,0,1,0,1|1,0,1]=4 1304 B11R2.10 NC1=CC2=C(C=CC=C2)S1 CS12846 [0,0,0,1,0,1|1,0,1]=4 1305 B11R2.10 NC1=NC2=C(C=CC=C2)S1 MC41744 [0,0,0,1,0,1|1,0,1]=4 1306 B11R2.10 NC1CC2=CC=CC=C2C1 CS19882 [0,0,0,1,0,1|1,0,0]=3 1307 B11R2.10 NN1CC2=CC=CC=C2C1 MC442461 [0,0,0,1,0,1|2,0,0]=4 1308 B11R2.10 O=C1CC2=C(C=CC=C2)O1 MC20944 [0,0,0,1,0,1|0,1,1]=4 1309 B11R2.10 O=C1CC2=CC=CC=C2C1 CS16080 [0,0,0,1,0,1|0,1,1]=4 1310 B11R2.10 O=C1CC2=CC=CC=C2N1 CS15184 [0,0,0,1,0,1|0,1,1]=4 1311 B11R2.10 OC1CC2=CC=CC=C2C1 CS21608 [0,0,0,1,0,1|0,1,0]=3 1312 B11R2.10 ON1CC2=CC=CC=C2C1 MC41790 [0,0,0,1,0,1|1,1,0]=4 1313 B11R2.10 SC1=NC2=C(C=CC=C2)N1 MC20678 [0,0,0,1,0,1|1,0,1]=4 1314 B11R2.10 SC1=NC2=C(C=CC=C2)O1 MC20463 [0,0,0,1,0,1|1,0,1]=4 1315 B11R2.238 C1=CC=C(CC2CN2)C=C1 CS19482 [0,0,0,1,0,1|1,0,0]=3 1316 B11R2.238 C1=CC=C(SC2CC2)C=C1 MC20576 [0,0,0,1,0,1|1,0,0]=3 1317 B11R2.34 BrC1=CC=C(C2CC2)C=C1 CS22811 [0,1,0,1,0,0|1,0,0]=3 1318 B11R2.34 BrC1=NC=C(C2CC2)C=C1 MC442244 [0,1,0,1,0,0|2,0,0]=4 1319 B11R2.34 CC1=CC=C(C2CO2)C=C1 MC112355 [0,1,0,1,0,0|0,1,0]=3 1320 B11R2.34 NC1=CC=C(C2CC2)C=C1 CS17100 [0,1,0,1,0,0|1,0,0]=3 1321 B11R2.1 CC1=CCC2=CC=CC=C12 MC106180 [0,1,0,1,0,0|1,0,1]=4 1322 B11R2.1 CC1=CNC2=CC=CC=C12 CS11030 [0,1,0,1,0,0|1,0,1]=4 1323 B11R2.1 CC1=COC2=C1C=CC=C2 MC30270 [0,1,0,1,0,0|0,1,1]=4 1324 B11R2.1 CC1=NNC2=CC=CC=C21 CS17372 [0,1,0,1,0,0|1,0,1]=4 1325 B11R2.1 CC1=NOC2=C1C=CC=C2 CS22352 [0,1,0,1,0,0|0,1,1]=4 1326 B11R2.1 CN1C=CC2=CC=CC=C21 CS11026 [0,1,0,1,0,0|2,0,0]=4 1327 B11R2.1 IC1=CSC2=C1C=CC=C2 CS22329 [0,1,0,1,0,0|1,0,1]=4 1328 B11R2.1 NC1=CSC2=C1C=CC=C2 CS13998 [0,1,0,1,0,0|1,0,1]=4 1329 B11R2.1 NC1=NSC2=C1C=CC=C2 CS13975 [0,1,0,1,0,0|1,0,1]=4 1330 B11R2.1 NC1CCC2=CC=CC=C21 CS16005 [0,1,0,1,0,0|1,0,0]=3 1331 B11R2.1 NC1CCC2=CC=CC=C21 CS19275 [0,1,0,1,0,0|1,0,0]=3 1332 B11R2.1 NC1CCC2=CC=CC=C21 CS19803 [0,1,0,1,0,0|1,0,0]=3 1333 B11R2.1 NC1CCC2=CC=CC=C21 CS20307 [0,1,0,1,0,0|1,0,0]=3 1334 B11R2.1 NC1CCC2=CC=CC=C21 MC425841 [0,1,0,1,0,0|1,0,0]=3 1335 B11R2.1 NC1COC2=NC=CC=C21 MC443539 [0,1,0,1,0,0|2,0,0]=4 1336 B11R2.1 O=C1CCC2=CC=CC=C12 CS18668 [0,1,0,1,0,0|0,1,1]=4 1337 B11R2.1 O=C1COC2=C1C=CC=C2 CS20787 [0,1,0,1,0,0|0,1,1]=4 1338 B11R2.1 O=C1CSC2=C1C=CC=C2 CS20606 [0,1,0,1,0,0|0,1,1]=4 1339 B11R2.1 O=C1NCC2=CC=CC=C12 CS11515 [0,1,0,1,0,0|0,1,1]=4 1340 B11R2.1 O=C1NSC2=C1C=CC=C2 CS14057 [0,1,0,1,0,0|1,0,1]=4 1341 B11R2.1 O=C1OCC2=CC=CC=C12 CS11853 [0,1,0,1,0,0|0,1,1]=4 1342 B11R2.1 O=C1SSC2=C1C=CC=C2 MC428208 [0,1,0,1,0,0|1,0,1]=4 1343 B11R2.1 OC1CCC2=CC=CN=C21 CS10573 [0,1,0,1,0,0|1,1,0]=4 1344 B11R2.40 BrC1(C2=NC=CC=C2)CC1 MC431657 [0,1,0,1,0,0|2,0,0]=4 1345 B11R2.40 NC1(C2=CC=CC=C2)CC1 MC425296 [0,1,0,1,0,0|1,0,0]=3 1346 B11R2.40 NC1(C2=NC=CC=C2)CC1 MC115574 [0,1,0,1,0,0|2,0,0]=4 1347 B11R2.55 BrC1=NC=CC=C1C2CC2 CS16928 [0,1,0,1,0,0|2,0,0]=4 1348 B11R2.55 ClC1=C(C2CO2)C=CC=C1 MC427453 [0,1,0,1,0,0|0,1,0]=3 1349 B11R2.55 ClC1=NC=CC=C1C2CC2 MC430628 [0,1,0,1,0,0|2,0,0]=4 1350 B11R2.55 NC1=C(C2CC2)C=NC=C1 CS17282 [0,1,0,1,0,0|2,0,0]=4 1351 B11R2.35 BrC1=CC(C2CC2)=CN=C1 MC442247 [0,1,0,1,0,0|2,0,0]=4 1352 B11R2.35 BrC1=CC=CC(C2CO2)=C1 MC111470 [0,1,0,1,0,0|0,1,0]=3 1353 B11R2.35 BrC1=NC(C2CC2)=CC=C1 MC442245 [0,1,0,1,0,0|2,0,0]=4 1354 B11R2.35 ClC1=CC=CC(C2CO2)=C1 MC42002 [0,1,0,1,0,0|0,1,0]=3 1355 B7R1.1 BrCC1=CC=CS1 MC111260 [1,0,0,0,1,0|2,0,0]=4 1356 B7R1.1 BrCC1=COC=C1 MC111404 [1,0,0,0,1,0|2,0,0]=4 1357 B7R1.1 CCC1=NC=CN1 CS21533 [1,0,0,0,1,0|2,0,0]=4 1358 B7R1.1 CCN1C=CC=N1 CS20681 [1,0,0,0,1,0|2,0,0]=4 1359 B7R1.1 COC1=CSC=C1 CS22351 [1,0,0,0,1,0|2,0,0]=4 1360 B7R1.1 ClCC1=CC=CO1 CS13429 [1,0,0,0,1,0|2,0,0]=4 1361 B7R1.1 NCC1=CC=CN1 CS14874 [1,0,0,0,1,0|2,0,0]=4 1362 B7R1.1 NCC1=CC=CO1 MC41689 [1,0,0,0,1,0|2,0,0]=4 1363 B7R1.1 NCC1=CC=CS1 CS22783 [1,0,0,0,1,0|2,0,0]=4 1364 B7R1.1 NCC1=CSC=C1 CS22417 [1,0,0,0,1,0|2,0,0]=4 1365 B7R1.1 OCC1=CC=CO1 MC41687 [1,0,0,0,1,0|1,1,0]=4 1366 B7R1.1 OCC1=COC=C1 CS22303 [1,0,0,0,1,0|1,1,0]=4 1367 B7R1.1 OCC1=CSC=C1 CS18039 [1,0,0,0,1,0|1,1,0]=4 1368 B11R1.91 CC(=O)COC1=CC=CC=C1 MC433248 [0,0,0,0,0,2|0,1,1]=4 1369 B11R1.91 CN(C)CCC1=CC=CC=C1 MC446671 [0,0,0,0,0,2|2,0,0]=4