0 B9R1.15 BrCC1=CC=CN=C1Br HR109478 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.15 C#CC1=C(C)C=CC=C1 HR139967 [0,0,0,0,0,0|3,0,1]=4 2 B9R1.15 C#CC1=CC=CN=C1N HR33481 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.15 C#CC1=NC=CN=C1N HR104910 [0,0,0,0,0,0|2,0,1]=3 4 B9R1.15 CC1=C(C=O)C=CC=N1 HR120880 [0,0,0,0,0,0|3,0,0]=3 5 B9R1.15 CC1=C(CBr)C=CC=C1 HR148643 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.15 CC1=C(CCl)C=CC=C1 HR138358 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.15 CC1=C(CN)C=CC=C1 HR135254 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.15 CC1=C(CO)C=CC=C1 HR137871 [0,0,0,0,0,0|4,0,0]=4 9 B9R1.15 CC1=C(NN)C=CC=C1 HR6396 [0,0,0,0,0,0|4,0,0]=4 10 B9R1.15 CC1=CC=CC=C1C=O HR128627 [0,0,0,0,0,0|4,0,0]=4 11 B9R1.15 CC1=CC=CN=C1C#N HR128098 [0,0,0,0,0,0|3,0,0]=3 12 B9R1.15 CC1=CC=CN=C1C=O HR134669 [0,0,0,0,0,0|3,0,0]=3 13 B9R1.15 CC1=CC=CN=C1CN HR101019 [0,0,0,0,0,0|3,0,0]=3 14 B9R1.15 CC1=NC=CC=C1C#N HR117061 [0,0,0,0,0,0|3,0,0]=3 15 B9R1.15 CC1=NC=CC=C1CO HR106318 [0,0,0,0,0,0|3,0,0]=3 16 B9R1.15 CCC1=C(Br)C=CC=C1 HR3770 [0,0,0,0,0,0|4,0,0]=4 17 B9R1.15 CCC1=C(C)C=CC=C1 HR141099 [0,0,0,0,0,0|3,0,0]=3 18 B9R1.15 CCC1=C(O)C=CC=C1 HR137341 [0,0,0,0,0,0|4,0,0]=4 19 B9R1.15 CCC1=C(S)C=CC=C1 HR125552 [0,0,0,0,0,0|4,0,0]=4 20 B9R1.15 CCC1=CC=CN=C1N HR112369 [0,0,0,0,0,0|3,0,0]=3 21 B9R1.15 CCC1=NC=CC=C1Br HR30415 [0,0,0,0,0,0|3,0,0]=3 22 B9R1.15 CCC1=NC=CN=C1C HR133096 [0,0,0,0,0,0|1,0,0]=1 23 B9R1.15 CCC1=NC=NC=C1F HR138279 [0,0,0,0,0,0|4,0,0]=4 24 B9R1.15 CNC1=C(Br)C=CC=C1 HR114695 [0,0,0,0,0,0|4,0,0]=4 25 B9R1.15 CNC1=C(C)C=CN=C1 HR110155 [0,0,0,0,0,0|4,0,0]=4 26 B9R1.15 CNC1=C(Cl)C=CC=C1 HR144009 [0,0,0,0,0,0|4,0,0]=4 27 B9R1.15 CNC1=C(F)C=CC=C1 HR136160 [0,0,0,0,0,0|4,0,0]=4 28 B9R1.15 CNC1=C(N)C=CC=C1 HR133206 [0,0,0,0,0,0|4,0,0]=4 29 B9R1.15 CNC1=C(O)C=CC=C1 HR141198 [0,0,0,0,0,0|4,0,0]=4 30 B9R1.15 CNC1=CC=CC=C1N HR133477 [0,0,0,0,0,0|4,0,0]=4 31 B9R1.15 CNC1=CC=CN=C1Cl HR131302 [0,0,0,0,0,0|3,0,0]=3 32 B9R1.15 CNC1=NC=CC=C1I HR152872 [0,0,0,0,0,0|3,0,0]=3 33 B9R1.15 CNC1=NC=CN=C1N HR147239 [0,0,0,0,0,0|2,0,0]=2 34 B9R1.15 CNC1=NC=NC=C1Br HR148133 [0,0,0,0,0,0|4,0,0]=4 35 B9R1.15 CNc1ccccc1C HR130258 [0,0,0,0,0,0|3,0,0]=3 36 B9R1.15 COC1=C(Br)C=CC=C1 HR3725 [0,0,0,0,0,0|3,1,0]=4 37 B9R1.15 COC1=C(C)C=CC=C1 HR137455 [0,0,0,0,0,0|2,1,0]=3 38 B9R1.15 COC1=C(C)C=CN=C1 HR33839 [0,0,0,0,0,0|3,1,0]=4 39 B9R1.15 COC1=C(Cl)C=CC=C1 HR123590 [0,0,0,0,0,0|3,1,0]=4 40 B9R1.15 COC1=C(F)C=CC=C1 ELXM01906 [0,0,0,0,0,0|3,1,0]=4 41 B9R1.15 COC1=C(I)C=CC=C1 HR136181 [0,0,0,0,0,0|3,1,0]=4 42 B9R1.15 COC1=C(S)C=CC=C1 HR122294 [0,0,0,0,0,0|3,1,0]=4 43 B9R1.15 COC1=CC=CC=C1O HR128921 [0,0,0,0,0,0|3,1,0]=4 44 B9R1.15 COC1=CC=CN=C1Br HR30133 [0,0,0,0,0,0|2,1,0]=3 45 B9R1.15 COC1=CC=CN=C1Cl HR138618 [0,0,0,0,0,0|2,1,0]=3 46 B9R1.15 COC1=CC=CN=C1F HR152621 [0,0,0,0,0,0|2,1,0]=3 47 B9R1.15 COC1=CC=CN=C1N HR31846 [0,0,0,0,0,0|2,1,0]=3 48 B9R1.15 COC1=CC=CNC1=O HR106554 [0,0,0,0,0,0|2,1,1]=4 49 B9R1.15 COC1=CN=CN=C1Cl HR117713 [0,0,0,0,0,0|3,1,0]=4 50 B9R1.15 COC1=CN=CN=C1N HR106276 [0,0,0,0,0,0|3,1,0]=4 51 B9R1.15 COC1=NC=CC=C1Br HR129848 [0,0,0,0,0,0|2,1,0]=3 52 B9R1.15 COC1=NC=CC=C1Cl HR109358 [0,0,0,0,0,0|2,1,0]=3 53 B9R1.15 COC1=NC=CC=C1I HR6586 [0,0,0,0,0,0|2,1,0]=3 54 B9R1.15 COC1=NC=CC=C1N HR136977 [0,0,0,0,0,0|2,1,0]=3 55 B9R1.15 COC1=NC=CC=C1O HR152722 [0,0,0,0,0,0|2,1,0]=3 56 B9R1.15 COC1=NC=CN=C1C HR127850 [0,0,0,0,0,0|0,1,0]=1 57 B9R1.15 COC1=NC=CN=C1C HR138330 [0,0,0,0,0,0|0,1,0]=1 58 B9R1.15 COC1=NC=CN=C1Cl HR142320 [0,0,0,0,0,0|1,1,0]=2 59 B9R1.15 COC1=NC=CN=C1N HR30399 [0,0,0,0,0,0|1,1,0]=2 60 B9R1.15 COc1ccccc1N HR147690 [0,0,0,0,0,0|3,1,0]=4 61 B9R1.15 CSC1=C(Br)C=CC=C1 HR139567 [0,0,0,0,0,0|3,0,0]=3 62 B9R1.15 CSC1=C(Br)C=CN=C1 HR152821 [0,0,0,0,0,0|4,0,0]=4 63 B9R1.15 CSC1=C(Cl)C=CC=C1 HR140054 [0,0,0,0,0,0|3,0,0]=3 64 B9R1.15 CSC1=C(F)C=CC=C1 HR139213 [0,0,0,0,0,0|3,0,0]=3 65 B9R1.15 CSC1=C(F)C=NC=C1 HR153036 [0,0,0,0,0,0|4,0,0]=4 66 B9R1.15 CSC1=C(I)C=CC=C1 HR139026 [0,0,0,0,0,0|3,0,0]=3 67 B9R1.15 CSC1=C(N)C=CC=C1 HR137618 [0,0,0,0,0,0|3,0,0]=3 68 B9R1.15 CSC1=C(O)C=CC=C1 HR143629 [0,0,0,0,0,0|3,0,0]=3 69 B9R1.15 CSC1=CC=CN=C1Cl HR152807 [0,0,0,0,0,0|2,0,0]=2 70 B9R1.15 CSC1=CC=CN=C1F HR152808 [0,0,0,0,0,0|2,0,0]=2 71 B9R1.15 CSC1=NC=CC=C1Br HR117530 [0,0,0,0,0,0|2,0,0]=2 72 B9R1.15 CSC1=NC=CC=C1Cl HR152636 [0,0,0,0,0,0|2,0,0]=2 73 B9R1.15 CSC1=NC=CN=C1C HR123098 [0,0,0,0,0,0|0,0,0]=0 74 B9R1.15 Cc1ccccc1NN HR135194 [0,0,0,0,0,0|4,0,0]=4 75 B9R1.15 Cc1ccccc1[Mg]Br HR119359 [0,0,0,0,0,0|4,0,0]=4 76 B9R1.15 ClCC1=C(Cl)N=CC=C1 HR127532 [0,0,0,0,0,0|4,0,0]=4 77 B9R1.15 ClCC1=NC=CN=C1Cl HR148180 [0,0,0,0,0,0|3,0,0]=3 78 B9R1.15 N#CC1=C(I)N=CC=C1 HR33324 [0,0,0,0,0,0|4,0,0]=4 79 B9R1.15 N#CC1=C(O)N=CC=C1 HR109178 [0,0,0,0,0,0|4,0,0]=4 80 B9R1.15 N#CC1=CC=CN=C1Br HR113734 [0,0,0,0,0,0|4,0,0]=4 81 B9R1.15 N#CC1=CC=CN=C1Cl HR129665 [0,0,0,0,0,0|4,0,0]=4 82 B9R1.15 N#CC1=CC=CN=C1F HR122498 [0,0,0,0,0,0|4,0,0]=4 83 B9R1.15 N#CC1=CC=CN=C1N HR5584 [0,0,0,0,0,0|4,0,0]=4 84 B9R1.15 N#CC1=CC=CN=C1O HR6539 [0,0,0,0,0,0|4,0,0]=4 85 B9R1.15 N#CC1=NC=CC=C1Br HR2263 [0,0,0,0,0,0|4,0,0]=4 86 B9R1.15 N#CC1=NC=CC=C1Cl HR138272 [0,0,0,0,0,0|4,0,0]=4 87 B9R1.15 N#CC1=NC=CC=C1F HR107772 [0,0,0,0,0,0|4,0,0]=4 88 B9R1.15 N#CC1=NC=CC=C1I HR15743 [0,0,0,0,0,0|4,0,0]=4 89 B9R1.15 N#CC1=NC=CC=C1N HR117626 [0,0,0,0,0,0|4,0,0]=4 90 B9R1.15 N#CC1=NC=CC=C1O HR124041 [0,0,0,0,0,0|4,0,0]=4 91 B9R1.15 N#CC1=NC=CN=C1Br HR33195 [0,0,0,0,0,0|3,0,0]=3 92 B9R1.15 N#CC1=NC=CN=C1Cl ACSA02501 [0,0,0,0,0,0|3,0,0]=3 93 B9R1.15 N#CC1=NC=CN=C1N HR105594 [0,0,0,0,0,0|3,0,0]=3 94 B9R1.15 NC1=NC=CC=C1C=O HR126656 [0,0,0,0,0,0|4,0,0]=4 95 B9R1.15 NC1=NC=CC=C1CO HR122953 [0,0,0,0,0,0|4,0,0]=4 96 B9R1.15 NC1=NC=CN=C1C=O HR148344 [0,0,0,0,0,0|3,0,0]=3 97 B9R1.15 NCC1=CC=CN=C1Cl HR120674 [0,0,0,0,0,0|4,0,0]=4 98 B9R1.15 NCC1=CC=CN=C1F HR114175 [0,0,0,0,0,0|4,0,0]=4 99 B9R1.15 NCC1=CC=CN=C1F HR146812 [0,0,0,0,0,0|4,0,0]=4 100 B9R1.15 NCC1=NC=CC=C1O HR33759 [0,0,0,0,0,0|4,0,0]=4 101 B9R1.15 NCC1=NC=CN=C1Cl HR104573 [0,0,0,0,0,0|3,0,0]=3 102 B9R1.15 NCC1=NC=CN=C1Cl HR113742 [0,0,0,0,0,0|3,0,0]=3 103 B9R1.15 NCc1cccnc1O HR113504 [0,0,0,0,0,0|4,0,0]=4 104 B9R1.15 NCc1nccnc1Cl ACSA02502 [0,0,0,0,0,0|3,0,0]=3 105 B9R1.15 NNC1=NC=CC=C1Cl HR134367 [0,0,0,0,0,0|4,0,0]=4 106 B9R1.15 NNC1=NC=CC=C1F HR145905 [0,0,0,0,0,0|4,0,0]=4 107 B9R1.15 NNC1=NC=CC=C1I HR152948 [0,0,0,0,0,0|4,0,0]=4 108 B9R1.15 O=CC1=C(O)N=CC=C1 HR111401 [0,0,0,0,0,0|4,0,0]=4 109 B9R1.15 O=CC1=CC=CN=C1Br HR123822 [0,0,0,0,0,0|4,0,0]=4 110 B9R1.15 O=CC1=CC=CN=C1Cl HR5097 [0,0,0,0,0,0|4,0,0]=4 111 B9R1.15 O=CC1=CC=CN=C1F HR110374 [0,0,0,0,0,0|4,0,0]=4 112 B9R1.15 O=CC1=NC=CC=C1Br HR32612 [0,0,0,0,0,0|4,0,0]=4 113 B9R1.15 O=CC1=NC=CC=C1Cl HR115301 [0,0,0,0,0,0|4,0,0]=4 114 B9R1.15 O=CC1=NC=CC=C1F HR32037 [0,0,0,0,0,0|4,0,0]=4 115 B9R1.15 O=CC1=NC=CC=C1O HR33297 [0,0,0,0,0,0|4,0,0]=4 116 B9R1.15 O=CC1=NC=CN=C1Cl HR113420 [0,0,0,0,0,0|3,0,0]=3 117 B9R1.15 OCC1=CC=CN=C1Cl HR12984 [0,0,0,0,0,0|4,0,0]=4 118 B9R1.15 OCC1=CC=CN=C1F HR105854 [0,0,0,0,0,0|4,0,0]=4 119 B9R1.15 OCC1=NC=CC=C1Cl HR117957 [0,0,0,0,0,0|4,0,0]=4 120 B9R1.15 OCC1=NC=CC=C1F HR108056 [0,0,0,0,0,0|4,0,0]=4 121 B9R1.15 OCC1=NC=CC=C1O HR4075 [0,0,0,0,0,0|4,0,0]=4 122 B8R1.2 BrCC1=CC=CN=C1 HR108717 [1,0,0,0,0,0|3,0,0]=4 123 B8R1.2 BrCC1=CC=CN=C1 HR121556 [1,0,0,0,0,0|3,0,0]=4 124 B8R1.2 BrCC1=NC=CC=C1 HR121865 [1,0,0,0,0,0|3,0,0]=4 125 B8R1.2 BrCC1=NC=CN=C1 HR116592 [1,0,0,0,0,0|2,0,0]=3 126 B8R1.2 BrCc1ccccn1 HR121394 [1,0,0,0,0,0|3,0,0]=4 127 B8R1.2 Br[Mg]C1=NC=CC=C1 OLSA05204 [1,0,0,0,0,0|3,0,0]=4 128 B8R1.2 C#CC1=CC=CN=C1 HR109693 [1,0,0,0,0,0|2,0,1]=4 129 B8R1.2 C#CC1=NC=CC=C1 HR119587 [1,0,0,0,0,0|2,0,1]=4 130 B8R1.2 C=CC1=CC=CN=C1 HR114859 [1,0,0,0,0,0|2,0,1]=4 131 B8R1.2 C=CC1=NC=CN=C1 HR138193 [1,0,0,0,0,0|1,0,1]=3 132 B8R1.2 CCC1=CC=CN=N1 HR120566 [1,0,0,0,0,0|3,0,0]=4 133 B8R1.2 CCC1=CN=NC=C1 HR112995 [1,0,0,0,0,0|3,0,0]=4 134 B8R1.2 CCC1=NC=CN=C1 HR127547 [1,0,0,0,0,0|1,0,0]=2 135 B8R1.2 CNC1=CC=CN=C1 HR129985 [1,0,0,0,0,0|2,0,0]=3 136 B8R1.2 CNC1=NC=CC=N1 HR114686 [1,0,0,0,0,0|3,0,0]=4 137 B8R1.2 CNc1ccccc1 HR100457 [1,0,0,0,0,0|3,0,0]=4 138 B8R1.2 COC1=CC=CN=C1 HR32267 [1,0,0,0,0,0|1,1,0]=3 139 B8R1.2 COC1=CC=CN=N1 HR105981 [1,0,0,0,0,0|2,1,0]=4 140 B8R1.2 COC1=CN=CN=C1 HR117403 [1,0,0,0,0,0|2,1,0]=4 141 B8R1.2 COC1=CN=NC=C1 HR120245 [1,0,0,0,0,0|2,1,0]=4 142 B8R1.2 COC1=NC=CC=C1 HR126716 [1,0,0,0,0,0|1,1,0]=3 143 B8R1.2 COC1=NC=CN=C1 HR126989 [1,0,0,0,0,0|0,1,0]=2 144 B8R1.2 COC1=NC=CN=N1 HR120418 [1,0,0,0,0,0|1,1,0]=3 145 B8R1.2 CSC1=CC=CC=C1 HR122762 [1,0,0,0,0,0|2,0,0]=3 146 B8R1.2 CSC1=NC=CC=C1 HR131827 [1,0,0,0,0,0|1,0,0]=2 147 B8R1.2 CSC1=NC=CN=C1 HR124880 [1,0,0,0,0,0|0,0,0]=1 148 B8R1.2 CSC1=NC=CN=N1 HR115056 [1,0,0,0,0,0|1,0,0]=2 149 B8R1.2 C[Si]C1=CC=CC=C1 HR105191 [1,0,0,0,0,0|3,0,0]=4 150 B8R1.2 ClCC1=CC=CN=C1 HR119663 [1,0,0,0,0,0|3,0,0]=4 151 B8R1.2 ClCC1=CC=CN=C1 HR130796 [1,0,0,0,0,0|3,0,0]=4 152 B8R1.2 ClCC1=NC=CC=C1 HR129737 [1,0,0,0,0,0|3,0,0]=4 153 B8R1.2 ClCC1=NC=CC=C1 HR135031 [1,0,0,0,0,0|3,0,0]=4 154 B8R1.2 ClCC1=NC=CN=C1 HR116912 [1,0,0,0,0,0|2,0,0]=3 155 B8R1.2 ICC1=CC=CN=C1 HR112683 [1,0,0,0,0,0|3,0,0]=4 156 B8R1.2 N#CC1=NC=CC=C1 HR122345 [1,0,0,0,0,0|3,0,0]=4 157 B8R1.2 N#CC1=NC=CN=C1 HR132037 [1,0,0,0,0,0|2,0,0]=3 158 B8R1.2 NCC1=CC=CN=C1 HR131367 [1,0,0,0,0,0|3,0,0]=4 159 B8R1.2 NCC1=NC=CC=C1 HR136467 [1,0,0,0,0,0|3,0,0]=4 160 B8R1.2 NCC1=NC=CN=C1 HR105402 [1,0,0,0,0,0|2,0,0]=3 161 B8R1.2 NCC1=NC=CN=C1 HR119571 [1,0,0,0,0,0|2,0,0]=3 162 B8R1.2 NNC1=CC=CN=C1 HR117538 [1,0,0,0,0,0|3,0,0]=4 163 B8R1.2 NNC1=CC=CN=C1 HR147357 [1,0,0,0,0,0|3,0,0]=4 164 B8R1.2 NNC1=NC=CC=C1 HR111958 [1,0,0,0,0,0|3,0,0]=4 165 B8R1.2 NNC1=NC=CN=C1 SESA05107 [1,0,0,0,0,0|2,0,0]=3 166 B8R1.2 O=CC1=CC=CN=C1 HR123179 [1,0,0,0,0,0|3,0,0]=4 167 B8R1.2 O=CC1=NC=CC=C1 HR135399 [1,0,0,0,0,0|3,0,0]=4 168 B8R1.2 O=CC1=NC=CN=C1 HR110626 [1,0,0,0,0,0|2,0,0]=3 169 B8R1.2 OCC1=CC=CN=C1 ENJL01103 [1,0,0,0,0,0|3,0,0]=4 170 B8R1.2 OCC1=NC=CC=C1 HR136134 [1,0,0,0,0,0|3,0,0]=4 171 B8R1.2 OCC1=NC=CN=C1 HR132253 [1,0,0,0,0,0|2,0,0]=3 172 B8R1.2 SCC1=NC=CC=C1 HR129844 [1,0,0,0,0,0|3,0,0]=4 173 B8R1.2 SCC1=NC=CN=C1 HR122647 [1,0,0,0,0,0|2,0,0]=3 174 B8R1.5 BrC1=CC=CN=C1Br HR5402 [1,0,0,0,0,0|3,0,0]=4 175 B8R1.5 BrC1=CC=CN=C1I HR111152 [1,0,0,0,0,0|3,0,0]=4 176 B8R1.5 BrC1=NC=CC=C1I HR111010 [1,0,0,0,0,0|3,0,0]=4 177 B8R1.5 BrC1=NC=CN=C1Br HR148131 [1,0,0,0,0,0|2,0,0]=3 178 B8R1.5 CC1=C(Br)C=CC=C1 HR3834 [1,0,0,0,0,0|3,0,0]=4 179 B8R1.5 CC1=C(Cl)N=NC=C1 HR105674 [1,0,0,0,0,0|3,0,0]=4 180 B8R1.5 CC1=C(I)C=CC=C1 HR130478 [1,0,0,0,0,0|3,0,0]=4 181 B8R1.5 CC1=CC=CN=C1Br HR9208 [1,0,0,0,0,0|2,0,0]=3 182 B8R1.5 CC1=CC=CN=C1C HR133818 [1,0,0,0,0,0|1,0,0]=2 183 B8R1.5 CC1=CC=CN=C1Cl HR123809 [1,0,0,0,0,0|2,0,0]=3 184 B8R1.5 CC1=CC=CN=C1F HR3992 [1,0,0,0,0,0|2,0,0]=3 185 B8R1.5 CC1=CC=CN=C1I HR138350 [1,0,0,0,0,0|2,0,0]=3 186 B8R1.5 CC1=CC=CN=C1N HR131109 [1,0,0,0,0,0|2,0,0]=3 187 B8R1.5 CC1=CC=CN=C1O HR8871 [1,0,0,0,0,0|1,1,0]=3 188 B8R1.5 CC1=CC=CNC1=O HR101557 [1,0,0,0,0,0|1,1,1]=4 189 B8R1.5 CC1=CN=CN=C1Br HR148130 [1,0,0,0,0,0|3,0,0]=4 190 B8R1.5 CC1=CN=CN=C1Cl HR116131 [1,0,0,0,0,0|3,0,0]=4 191 B8R1.5 CC1=CN=CN=C1N HR107095 [1,0,0,0,0,0|3,0,0]=4 192 B8R1.5 CC1=NC=CC=C1Br HR1220 [1,0,0,0,0,0|2,0,0]=3 193 B8R1.5 CC1=NC=CC=C1Cl HR115515 [1,0,0,0,0,0|2,0,0]=3 194 B8R1.5 CC1=NC=CC=C1F HR105446 [1,0,0,0,0,0|2,0,0]=3 195 B8R1.5 CC1=NC=CC=C1I HR112363 [1,0,0,0,0,0|2,0,0]=3 196 B8R1.5 CC1=NC=CC=C1N HR135664 [1,0,0,0,0,0|2,0,0]=3 197 B8R1.5 CC1=NC=CC=C1O HR6626 [1,0,0,0,0,0|1,1,0]=3 198 B8R1.5 CC1=NC=CN=C1Br HR116581 [1,0,0,0,0,0|1,0,0]=2 199 B8R1.5 CC1=NC=CN=C1C HR136586 [1,0,0,0,0,0|0,0,0]=1 200 B8R1.5 CC1=NC=CN=C1Cl HR2149 [1,0,0,0,0,0|1,0,0]=2 201 B8R1.5 CC1=NC=CN=C1N HR33319 [1,0,0,0,0,0|1,0,0]=2 202 B8R1.5 CC1=NC=CN=C1O HR33318 [1,0,0,0,0,0|0,1,0]=2 203 B8R1.5 CC1=NC=NC=C1Br HR17240 [1,0,0,0,0,0|3,0,0]=4 204 B8R1.5 CC1=NC=NC=C1Cl HR147077 [1,0,0,0,0,0|3,0,0]=4 205 B8R1.5 CC1=NC=NC=C1I HR148219 [1,0,0,0,0,0|3,0,0]=4 206 B8R1.5 CC1=NC=NC=C1N HR33990 [1,0,0,0,0,0|3,0,0]=4 207 B8R1.5 Cc1cccnc1N HR111705 [1,0,0,0,0,0|2,0,0]=3 208 B8R1.5 ClC1=CC=CN=C1Br HR135714 [1,0,0,0,0,0|3,0,0]=4 209 B8R1.5 ClC1=CC=CN=C1Cl HR1198 [1,0,0,0,0,0|3,0,0]=4 210 B8R1.5 ClC1=CC=CN=C1I HR114262 [1,0,0,0,0,0|3,0,0]=4 211 B8R1.5 ClC1=NC=CC=C1Br HR1098 [1,0,0,0,0,0|3,0,0]=4 212 B8R1.5 ClC1=NC=CC=C1I HR1188 [1,0,0,0,0,0|3,0,0]=4 213 B8R1.5 ClC1=NC=CN=C1Cl HR130498 [1,0,0,0,0,0|2,0,0]=3 214 B8R1.5 FC1=C(S)C=CC=C1 HR141832 [1,0,0,0,0,0|3,0,0]=4 215 B8R1.5 FC1=CC=CN=C1Br HR107454 [1,0,0,0,0,0|3,0,0]=4 216 B8R1.5 FC1=CC=CN=C1Cl HR2532 [1,0,0,0,0,0|3,0,0]=4 217 B8R1.5 FC1=CC=CN=C1F HR136989 [1,0,0,0,0,0|3,0,0]=4 218 B8R1.5 FC1=CC=CN=C1I HR118160 [1,0,0,0,0,0|3,0,0]=4 219 B8R1.5 FC1=NC=CC=C1Br HR3008 [1,0,0,0,0,0|3,0,0]=4 220 B8R1.5 FC1=NC=CC=C1Cl HR129122 [1,0,0,0,0,0|3,0,0]=4 221 B8R1.5 FC1=NC=CC=C1I HR122170 [1,0,0,0,0,0|3,0,0]=4 222 B8R1.5 IC1=CC=CN=C1I HR153025 [1,0,0,0,0,0|3,0,0]=4 223 B8R1.5 NC1=CC=CN=C1Br HR136257 [1,0,0,0,0,0|3,0,0]=4 224 B8R1.5 NC1=CC=CN=C1Cl HR137306 [1,0,0,0,0,0|3,0,0]=4 225 B8R1.5 NC1=CC=CN=C1F HR137001 [1,0,0,0,0,0|3,0,0]=4 226 B8R1.5 NC1=CC=CN=C1I HR111116 [1,0,0,0,0,0|3,0,0]=4 227 B8R1.5 NC1=CC=CN=C1N HR1296 [1,0,0,0,0,0|3,0,0]=4 228 B8R1.5 NC1=CC=CN=C1O HR136029 [1,0,0,0,0,0|2,1,0]=4 229 B8R1.5 NC1=CC=CN=C1O HR146499 [1,0,0,0,0,0|2,1,0]=4 230 B8R1.5 NC1=NC=CC=C1Br HR133830 [1,0,0,0,0,0|3,0,0]=4 231 B8R1.5 NC1=NC=CC=C1Cl HR136804 [1,0,0,0,0,0|3,0,0]=4 232 B8R1.5 NC1=NC=CC=C1F HR2976 [1,0,0,0,0,0|3,0,0]=4 233 B8R1.5 NC1=NC=CC=C1I HR123494 [1,0,0,0,0,0|3,0,0]=4 234 B8R1.5 NC1=NC=CC=C1O LOXF02404 [1,0,0,0,0,0|2,1,0]=4 235 B8R1.5 NC1=NC=CC=C1S HR106679 [1,0,0,0,0,0|2,0,0]=3 236 B8R1.5 NC1=NC=CN=C1Br HR30398 [1,0,0,0,0,0|2,0,0]=3 237 B8R1.5 NC1=NC=CN=C1Cl HR103655 [1,0,0,0,0,0|2,0,0]=3 238 B8R1.5 NC1=NC=CN=C1Cl HR138562 [1,0,0,0,0,0|2,0,0]=3 239 B8R1.5 NC1=NC=CN=C1I HR148056 [1,0,0,0,0,0|2,0,0]=3 240 B8R1.5 NC1=NC=CN=C1N HR111087 [1,0,0,0,0,0|2,0,0]=3 241 B8R1.5 NC1=NC=CN=C1O HR30400 [1,0,0,0,0,0|1,1,0]=3 242 B8R1.5 OC1=C(S)C=CC=C1 HR132747 [1,0,0,0,0,0|3,0,0]=4 243 B8R1.5 OC1=CC=CN=C1Br HR134806 [1,0,0,0,0,0|2,1,0]=4 244 B8R1.5 OC1=CC=CN=C1Cl HR134272 [1,0,0,0,0,0|2,1,0]=4 245 B8R1.5 OC1=CC=CN=C1F HR124057 [1,0,0,0,0,0|2,1,0]=4 246 B8R1.5 OC1=CC=CN=C1I HR140442 [1,0,0,0,0,0|2,1,0]=4 247 B8R1.5 OC1=CC=CN=C1O HR125001 [1,0,0,0,0,0|2,1,0]=4 248 B8R1.5 OC1=NC=CC=C1Br HR30714 [1,0,0,0,0,0|2,1,0]=4 249 B8R1.5 OC1=NC=CC=C1Cl HR123544 [1,0,0,0,0,0|2,1,0]=4 250 B8R1.5 OC1=NC=CC=C1F HR138044 [1,0,0,0,0,0|2,1,0]=4 251 B8R1.5 SC1=C(Br)C=CC=C1 HR127539 [1,0,0,0,0,0|3,0,0]=4 252 B8R1.5 SC1=C(Cl)C=CC=C1 HR133114 [1,0,0,0,0,0|3,0,0]=4 253 B8R1.5 SC1=CC=CC=C1S HR141898 [1,0,0,0,0,0|3,0,0]=4 254 B10R1.2 CC1=C(Br)C=CN=C1C=O HR32306 [0,1,0,0,0,0|3,0,0]=4 255 B10R1.2 CC1=C(Cl)C=CN=C1C#N HR32424 [0,1,0,0,0,0|3,0,0]=4 256 B10R1.2 CC1=C(Cl)C=CN=C1C=O HR32389 [0,1,0,0,0,0|3,0,0]=4 257 B10R1.2 COC1=C(C)C(C)=CC=C1 HR4114 [0,1,0,0,0,0|2,1,0]=4 258 B10R1.2 COC1=CC=CC(Br)=C1C HR32078 [0,1,0,0,0,0|2,1,0]=4 259 B10R1.2 COC1=CC=CC(Cl)=C1C HR140725 [0,1,0,0,0,0|2,1,0]=4 260 B10R1.2 COC1=CC=CC(I)=C1C HR32077 [0,1,0,0,0,0|2,1,0]=4 261 B10R1.2 COC1=CC=CC(N)=C1C HR30007 [0,1,0,0,0,0|2,1,0]=4 262 B10R1.2 COC1=NC=CC(C)=C1N HR147021 [0,1,0,0,0,0|2,1,0]=4 263 B10R1.2 COC1=NC=CC(I)=C1Cl HR155898 [0,1,0,0,0,0|2,1,0]=4 264 B10R1.2 CSC1=C(F)C(Br)=CC=C1 HR154112 [0,1,0,0,0,0|3,0,0]=4 265 B10R1.2 CSC1=C(F)C(F)=CC=C1 HR153789 [0,1,0,0,0,0|3,0,0]=4 266 B10R1.2 CSC1=CC=CC(Cl)=C1C HR139295 [0,1,0,0,0,0|2,0,0]=3 267 B10R1.2 CSC1=CC=CC(Cl)=C1Cl HR155232 [0,1,0,0,0,0|3,0,0]=4 268 B10R1.2 CSC1=CC=CC(F)=C1Cl HR155272 [0,1,0,0,0,0|3,0,0]=4 269 B10R1.2 CSC1=CC=CC(F)=C1O HR154057 [0,1,0,0,0,0|3,0,0]=4 270 B10R1.2 CSC1=CC=CC(O)=C1F HR154152 [0,1,0,0,0,0|3,0,0]=4 271 B10R1.2 CSC1=CN=CC(Br)=C1C HR156417 [0,1,0,0,0,0|3,0,0]=4 272 B10R1.4 CC1=C(CCO)C=CC=C1 HR139957 [0,1,0,0,0,0|3,0,0]=4 273 B10R1.4 CCNC1=CC=CC=C1C HR132311 [0,1,0,0,0,0|3,0,0]=4 274 B10R1.4 CCNC1=NC=CN=C1N HR147238 [0,1,0,0,0,0|2,0,0]=3 275 B10R1.4 CCOC1=CC=CN=C1C HR33539 [0,1,0,0,0,0|1,1,0]=3 276 B10R1.4 CCOC1=CC=CN=C1F HR152949 [0,1,0,0,0,0|2,1,0]=4 277 B10R1.4 CCOC1=NC=CC=C1Br HR109498 [0,1,0,0,0,0|2,1,0]=4 278 B10R1.4 CCOC1=NC=CC=C1Cl HR155974 [0,1,0,0,0,0|2,1,0]=4 279 B10R1.4 CCOC1=NC=CN=C1C HR134737 [0,1,0,0,0,0|0,1,0]=2 280 B10R1.4 CCOC1=NC=CN=C1N HR147241 [0,1,0,0,0,0|1,1,0]=3 281 B10R1.4 CCSC1=C(Br)C=CC=C1 HR140258 [0,1,0,0,0,0|3,0,0]=4 282 B10R1.20 CCC1=C(CO)C=CC=C1 HR154385 [0,1,0,0,0,0|3,0,0]=4 283 B10R1.20 CCC1=NC=CN=C1CC HR128859 [0,1,0,0,0,0|1,0,0]=2 284 B10R1.20 CCC1=NC=CN=C1OC HR130301 [0,1,0,0,0,0|0,1,0]=2 285 B10R1.20 CCC1=NC=CN=C1SC HR122114 [0,1,0,0,0,0|0,0,0]=1 286 B10R1.20 CNC1=C(C#N)C=CC=N1 HR102648 [0,1,0,0,0,0|2,0,1]=4 287 B10R1.20 CNC1=NC=CC=C1C=O HR101599 [0,1,0,0,0,0|2,0,1]=4 288 B10R1.20 CNC1=NC=CC=C1CO HR116889 [0,1,0,0,0,0|2,0,0]=3 289 B10R1.20 COC1=C(C#N)C=CC=N1 HR126718 [0,1,0,0,0,0|1,1,1]=4 290 B10R1.20 COC1=C(CBr)C=CC=C1 HR103693 [0,1,0,0,0,0|2,1,0]=4 291 B10R1.20 COC1=C(CCl)C=CC=C1 HR4651 [0,1,0,0,0,0|2,1,0]=4 292 B10R1.20 COC1=C(CN)C=CC=C1 HR123771 [0,1,0,0,0,0|2,1,0]=4 293 B10R1.20 COC1=C(CO)C=CC=C1 HR138804 [0,1,0,0,0,0|2,1,0]=4 294 B10R1.20 COC1=C(OC)C=CC=C1 IVSA07604 [0,1,0,0,0,0|2,1,0]=4 295 B10R1.20 COC1=C(SC)C=CC=C1 HR140362 [0,1,0,0,0,0|2,0,0]=3 296 B10R1.20 COC1=CC=CN=C1C#N HR30036 [0,1,0,0,0,0|1,1,1]=4 297 B10R1.20 COC1=CC=CN=C1C=O HR109982 [0,1,0,0,0,0|1,1,1]=4 298 B10R1.20 COC1=CC=CN=C1OC HR126661 [0,1,0,0,0,0|1,1,0]=3 299 B10R1.20 COC1=NC=CC=C1C=O HR138590 [0,1,0,0,0,0|1,1,1]=4 300 B10R1.20 COC1=NC=CC=C1CN HR148638 [0,1,0,0,0,0|1,1,0]=3 301 B10R1.20 CSC1=C(C=O)C=CC=C1 HR100305 [0,1,0,0,0,0|2,0,1]=4 302 B10R1.20 ClCC1=CC=CN=C1CCl HR108722 [0,1,0,0,0,0|3,0,0]=4 303 B10R1.20 N#CC1=C(CCl)N=CC=C1 HR148736 [0,1,0,0,0,0|3,0,0]=4 304 B10R1.20 OCC1=CC=CN=C1CO HR122041 [0,1,0,0,0,0|3,0,0]=4 305 B10R1.25 CC1=C(C#N)C=CC(Br)=N1 HR5962 [0,1,0,0,0,0|3,0,0]=4 306 B10R1.25 CC1=C(C#N)C=CC(F)=N1 HR1106 [0,1,0,0,0,0|3,0,0]=4 307 B10R1.25 CC1=C(C=O)C=CC(Br)=N1 HR33530 [0,1,0,0,0,0|3,0,0]=4 308 B10R1.25 CC1=C(CN)C=CC(N)=N1 HR121919 [0,1,0,0,0,0|3,0,0]=4 309 B10R1.25 CC1=CC(Br)=CN=C1C#N HR148357 [0,1,0,0,0,0|3,0,0]=4 310 B10R1.25 CC1=CC(Br)=CN=C1C=O HR152462 [0,1,0,0,0,0|3,0,0]=4 311 B10R1.25 CC1=CC(Br)=CN=C1CO HR152721 [0,1,0,0,0,0|3,0,0]=4 312 B10R1.25 CC1=CC(N)=CN=C1C#N HR107783 [0,1,0,0,0,0|3,0,0]=4 313 B10R1.25 CC1=CC(O)=CN=C1C#N HR113821 [0,1,0,0,0,0|3,0,0]=4 314 B10R1.25 CC1=CN=C(C=O)C(C)=C1 HR152618 [0,1,0,0,0,0|3,0,0]=4 315 B10R1.25 CC1=CN=C(CCl)C(C)=C1 HR116162 [0,1,0,0,0,0|3,0,0]=4 316 B10R1.25 CC1=CN=C(CO)C(C)=C1 HR115848 [0,1,0,0,0,0|3,0,0]=4 317 B10R1.25 CC1=NC(Br)=CC=C1CO HR153038 [0,1,0,0,0,0|3,0,0]=4 318 B10R1.25 CC1=NC(Cl)=CC=C1C#N HR118667 [0,1,0,0,0,0|3,0,0]=4 319 B10R1.25 CC1=NC(Cl)=CC=C1C=O HR116513 [0,1,0,0,0,0|3,0,0]=4 320 B10R1.25 CC1=NC(Cl)=CC=C1CO HR155999 [0,1,0,0,0,0|3,0,0]=4 321 B10R1.25 CC1=NC(F)=CC=C1C=O HR152515 [0,1,0,0,0,0|3,0,0]=4 322 B10R1.25 CC1=NC(F)=CC=C1CO HR141723 [0,1,0,0,0,0|3,0,0]=4 323 B10R1.25 CC1=NC(N)=CC=C1C#N HR112355 [0,1,0,0,0,0|3,0,0]=4 324 B10R1.25 CCC1=CC=C(C)N=C1N HR110476 [0,1,0,0,0,0|3,0,0]=4 325 B10R1.25 CCC1=NC=C(C)C=C1C HR103745 [0,1,0,0,0,0|2,0,0]=3 326 B10R1.25 CCC1=NC=C(C)N=C1C HR125786 [0,1,0,0,0,0|1,0,0]=2 327 B10R1.25 CCc1ncc(C)nc1C HR122919 [0,1,0,0,0,0|1,0,0]=2 328 B10R1.25 CNC1=NC=C(Br)C=C1C HR33336 [0,1,0,0,0,0|2,0,0]=3 329 B10R1.25 COC1=C(Br)C=C(O)C=N1 HR33360 [0,1,0,0,0,0|2,1,0]=4 330 B10R1.25 COC1=C(C)C=C(Br)C=C1 HR103824 [0,1,0,0,0,0|2,1,0]=4 331 B10R1.25 COC1=C(C)C=C(C)C=C1 HR142284 [0,1,0,0,0,0|2,1,0]=4 332 B10R1.25 COC1=C(C)C=C(Cl)C=C1 HR134866 [0,1,0,0,0,0|2,1,0]=4 333 B10R1.25 COC1=C(C)C=C(F)C=C1 HR144919 [0,1,0,0,0,0|2,1,0]=4 334 B10R1.25 COC1=C(C)C=C(N)C=C1 HR114934 [0,1,0,0,0,0|2,1,0]=4 335 B10R1.25 COC1=C(C)C=C(N)C=N1 HR113095 [0,1,0,0,0,0|1,1,0]=3 336 B10R1.25 COC1=C(C)C=C(O)C=C1 HR31580 [0,1,0,0,0,0|2,1,0]=4 337 B10R1.25 COC1=C(C)N=C(N)C=C1 HR108893 [0,1,0,0,0,0|1,1,0]=3 338 B10R1.25 COC1=C(F)C=C(N)C=N1 HR121926 [0,1,0,0,0,0|2,1,0]=4 339 B10R1.25 COC1=CC=C(Br)N=C1C HR152629 [0,1,0,0,0,0|1,1,0]=3 340 B10R1.25 COC1=CC=C(Br)N=C1F HR106575 [0,1,0,0,0,0|2,1,0]=4 341 B10R1.25 COC1=CC=C(C)N=C1Br HR152547 [0,1,0,0,0,0|2,1,0]=4 342 B10R1.25 COC1=CC=C(C)N=C1F HR152688 [0,1,0,0,0,0|2,1,0]=4 343 B10R1.25 COC1=CC=C(Cl)N=C1Cl HR152658 [0,1,0,0,0,0|2,1,0]=4 344 B10R1.25 COC1=CC=C(F)N=C1Br HR153074 [0,1,0,0,0,0|2,1,0]=4 345 B10R1.25 COC1=CC=C(F)N=C1C HR152685 [0,1,0,0,0,0|1,1,0]=3 346 B10R1.25 COC1=CC=C(I)N=C1Br HR152550 [0,1,0,0,0,0|2,1,0]=4 347 B10R1.25 COC1=CN=C(C)N=C1C LECQ02212 [0,1,0,0,0,0|2,1,0]=4 348 B10R1.25 COC1=NC=C(Br)C=C1Br HR6581 [0,1,0,0,0,0|2,1,0]=4 349 B10R1.25 COC1=NC=C(Br)C=C1C HR120550 [0,1,0,0,0,0|1,1,0]=3 350 B10R1.25 COC1=NC=C(Br)C=C1Cl HR1164 [0,1,0,0,0,0|2,1,0]=4 351 B10R1.25 COC1=NC=C(Br)C=C1F HR10468 [0,1,0,0,0,0|2,1,0]=4 352 B10R1.25 COC1=NC=C(Br)C=C1I HR152535 [0,1,0,0,0,0|2,1,0]=4 353 B10R1.25 COC1=NC=C(Br)C=C1N HR119267 [0,1,0,0,0,0|2,1,0]=4 354 B10R1.25 COC1=NC=C(Br)C=C1N HR153002 [0,1,0,0,0,0|2,1,0]=4 355 B10R1.25 COC1=NC=C(Br)C=C1O HR152928 [0,1,0,0,0,0|2,1,0]=4 356 B10R1.25 COC1=NC=C(C)C=C1Br HR152591 [0,1,0,0,0,0|2,1,0]=4 357 B10R1.25 COC1=NC=C(Cl)C=C1Br HR6584 [0,1,0,0,0,0|2,1,0]=4 358 B10R1.25 COC1=NC=C(Cl)C=C1I HR153856 [0,1,0,0,0,0|2,1,0]=4 359 B10R1.25 COC1=NC=C(F)C=C1Br HR118452 [0,1,0,0,0,0|2,1,0]=4 360 B10R1.25 COC1=NC=C(F)C=C1C HR141524 [0,1,0,0,0,0|1,1,0]=3 361 B10R1.25 COC1=NC=C(I)C=C1C HR152615 [0,1,0,0,0,0|1,1,0]=3 362 B10R1.25 COC1=NC=C(N)C=C1Br HR1147 [0,1,0,0,0,0|2,1,0]=4 363 B10R1.25 COC1=NC=C(O)C=C1C HR152650 [0,1,0,0,0,0|1,1,0]=3 364 B10R1.25 COC1=NC=C(O)C=C1Cl HR152673 [0,1,0,0,0,0|2,1,0]=4 365 B10R1.25 CSC1=C(Br)C=C(C)C=C1 HR153885 [0,1,0,0,0,0|3,0,0]=4 366 B10R1.25 CSC1=C(Br)C=C(Cl)C=C1 HR154082 [0,1,0,0,0,0|3,0,0]=4 367 B10R1.25 CSC1=C(Br)C=C(F)C=C1 HR153730 [0,1,0,0,0,0|3,0,0]=4 368 B10R1.25 CSC1=C(C)C=C(Br)C=C1 HR154522 [0,1,0,0,0,0|2,0,0]=3 369 B10R1.25 CSC1=C(C)C=C(F)C=C1 HR153765 [0,1,0,0,0,0|2,0,0]=3 370 B10R1.25 CSC1=C(C)C=C(O)C=C1 HR10656 [0,1,0,0,0,0|2,0,0]=3 371 B10R1.25 CSC1=C(C)C=C(O)C=N1 HR153006 [0,1,0,0,0,0|1,0,0]=2 372 B10R1.25 CSC1=C(Cl)C=C(Br)C=C1 HR153676 [0,1,0,0,0,0|3,0,0]=4 373 B10R1.25 CSC1=C(Cl)C=C(O)C=C1 HR156503 [0,1,0,0,0,0|3,0,0]=4 374 B10R1.25 CSC1=C(F)C=C(Br)C=C1 HR153775 [0,1,0,0,0,0|3,0,0]=4 375 B10R1.25 CSC1=C(F)C=C(F)C=C1 HR154033 [0,1,0,0,0,0|3,0,0]=4 376 B10R1.25 CSC1=C(O)C=C(F)C=C1 HR153937 [0,1,0,0,0,0|3,0,0]=4 377 B10R1.25 CSC1=CC=C(Cl)N=C1Cl HR156651 [0,1,0,0,0,0|2,0,0]=3 378 B10R1.25 CSC1=CC=C(F)N=C1C HR152691 [0,1,0,0,0,0|1,0,0]=2 379 B10R1.25 CSC1=NC=C(Br)C=C1Br HR152857 [0,1,0,0,0,0|2,0,0]=3 380 B10R1.25 CSC1=NC=C(Br)C=C1C HR153254 [0,1,0,0,0,0|1,0,0]=2 381 B10R1.25 CSC1=NC=C(C)C=C1Br HR153034 [0,1,0,0,0,0|2,0,0]=3 382 B10R1.25 CSC1=NC=C(Cl)C=C1Br HR152846 [0,1,0,0,0,0|2,0,0]=3 383 B10R1.25 CSC1=NC=C(I)C=C1C HR156508 [0,1,0,0,0,0|1,0,0]=2 384 B10R1.25 N#CC1=NC=C(Cl)N=C1Br HR114754 [0,1,0,0,0,0|3,0,0]=4 385 B10R1.25 N#CC1=NC=C(Cl)N=C1Cl HR115743 [0,1,0,0,0,0|3,0,0]=4 386 B10R1.25 O=CC1=NC=C(Cl)N=C1Cl HR104713 [0,1,0,0,0,0|3,0,0]=4 387 B10R1.30 C#CC1=NC(Br)=CN=C1N HR147800 [0,1,0,0,0,0|2,0,1]=4 388 B10R1.30 CC1=CC=C(C)C(C#N)=N1 HR112726 [0,1,0,0,0,0|3,0,0]=4 389 B10R1.30 CCC1=NC(C)=CC=C1O HR105919 [0,1,0,0,0,0|3,0,0]=4 390 B10R1.30 CCC1=NC(C)=CC=C1O HR127004 [0,1,0,0,0,0|3,0,0]=4 391 B10R1.30 CCC1=NC(C)=CC=C1O HR129578 [0,1,0,0,0,0|3,0,0]=4 392 B10R1.30 CCC1=NC(C)=CN=C1C HR126043 [0,1,0,0,0,0|1,0,0]=2 393 B10R1.30 COC1=C(Br)C=CC(N)=N1 HR118243 [0,1,0,0,0,0|2,1,0]=4 394 B10R1.30 COC1=C(Br)N=CC(N)=C1 HR103648 [0,1,0,0,0,0|2,1,0]=4 395 B10R1.30 COC1=C(Br)N=CC(O)=C1 HR153070 [0,1,0,0,0,0|2,1,0]=4 396 B10R1.30 COC1=C(C)C=CC(Br)=C1 HR153423 [0,1,0,0,0,0|2,1,0]=4 397 B10R1.30 COC1=C(C)C=CC(C)=C1 HR144892 [0,1,0,0,0,0|2,1,0]=4 398 B10R1.30 COC1=C(C)C=CC(F)=C1 HR153543 [0,1,0,0,0,0|2,1,0]=4 399 B10R1.30 COC1=C(C)C=CC(N)=C1 HR146631 [0,1,0,0,0,0|2,1,0]=4 400 B10R1.30 COC1=C(C)C=CC(O)=C1 HR154431 [0,1,0,0,0,0|2,1,0]=4 401 B10R1.30 COC1=C(Cl)N=CC(N)=C1 HR102067 [0,1,0,0,0,0|2,1,0]=4 402 B10R1.30 COC1=C(Cl)N=CC(O)=C1 HR156057 [0,1,0,0,0,0|2,1,0]=4 403 B10R1.30 COC1=CC(Br)=CN=C1Br HR152933 [0,1,0,0,0,0|2,1,0]=4 404 B10R1.30 COC1=CC(Br)=CN=C1Cl HR117620 [0,1,0,0,0,0|2,1,0]=4 405 B10R1.30 COC1=CC(Br)=CN=C1F HR152445 [0,1,0,0,0,0|2,1,0]=4 406 B10R1.30 COC1=CC(Br)=CN=C1N HR148477 [0,1,0,0,0,0|2,1,0]=4 407 B10R1.30 COC1=CC(C)=CN=C1F HR152626 [0,1,0,0,0,0|2,1,0]=4 408 B10R1.30 COC1=CC(Cl)=CN=C1F HR152667 [0,1,0,0,0,0|2,1,0]=4 409 B10R1.30 COC1=CC(I)=CN=C1Br HR31847 [0,1,0,0,0,0|2,1,0]=4 410 B10R1.30 COC1=CC(I)=CN=C1I HR31845 [0,1,0,0,0,0|2,1,0]=4 411 B10R1.30 COC1=CC(O)=CN=C1F HR152644 [0,1,0,0,0,0|2,1,0]=4 412 B10R1.30 COC1=NC(Br)=CC=C1N HR32781 [0,1,0,0,0,0|2,1,0]=4 413 B10R1.30 COC1=NC(Br)=CN=C1Br HR32255 [0,1,0,0,0,0|1,1,0]=3 414 B10R1.30 COC1=NC(Br)=CN=C1I HR118120 [0,1,0,0,0,0|1,1,0]=3 415 B10R1.30 COC1=NC(Br)=CN=C1N HR32254 [0,1,0,0,0,0|1,1,0]=3 416 B10R1.30 COC1=NC(C)=CC=C1Br HR8122 [0,1,0,0,0,0|2,1,0]=4 417 B10R1.30 COC1=NC(C)=CC=C1F HR106695 [0,1,0,0,0,0|2,1,0]=4 418 B10R1.30 COC1=NC(C)=CC=C1N HR1266 [0,1,0,0,0,0|2,1,0]=4 419 B10R1.30 COC1=NC(Cl)=CN=C1N HR148257 [0,1,0,0,0,0|1,1,0]=3 420 B10R1.30 CSC1=C(Br)C=CC(Br)=C1 HR153546 [0,1,0,0,0,0|3,0,0]=4 421 B10R1.30 CSC1=C(Br)C=CC(C)=C1 HR154128 [0,1,0,0,0,0|3,0,0]=4 422 B10R1.30 CSC1=C(Br)C=CC(I)=C1 HR154180 [0,1,0,0,0,0|3,0,0]=4 423 B10R1.30 CSC1=C(C)C=CC(Br)=C1 HR153740 [0,1,0,0,0,0|2,0,0]=3 424 B10R1.30 CSC1=C(Cl)C=CC(C)=C1 HR154050 [0,1,0,0,0,0|3,0,0]=4 425 B10R1.30 CSC1=C(F)C=CC(Br)=C1 HR154008 [0,1,0,0,0,0|3,0,0]=4 426 B10R1.30 CSC1=C(F)C=CC(C)=C1 HR154006 [0,1,0,0,0,0|3,0,0]=4 427 B10R1.30 CSC1=NC(Cl)=NC=C1Br HR32782 [0,1,0,0,0,0|3,0,0]=4 428 B10R1.30 N#CC1=NC(Br)=CN=C1N HR112602 [0,1,0,0,0,0|3,0,0]=4 429 B10R1.30 N#CC1=NC(Cl)=CN=C1N HR148255 [0,1,0,0,0,0|3,0,0]=4 430 B10R1.30 NC1=NC=C(Br)N=C1C=O HR148717 [0,1,0,0,0,0|3,0,0]=4 431 B10R1.61 CC(=O)C1=CC=CN=C1Br HR121467 [0,1,0,0,0,0|3,0,0]=4 432 B10R1.61 CC(=O)C1=CC=CN=C1C HR119485 [0,1,0,0,0,0|2,0,0]=3 433 B10R1.61 CC(=O)C1=CC=CN=C1Cl HR14410 [0,1,0,0,0,0|3,0,0]=4 434 B10R1.61 CC(=O)C1=CC=CN=C1F HR105702 [0,1,0,0,0,0|3,0,0]=4 435 B10R1.61 CC(=O)C1=CC=CN=C1N HR109973 [0,1,0,0,0,0|3,0,0]=4 436 B10R1.61 CC(=O)C1=NC=CC=C1Cl HR33494 [0,1,0,0,0,0|3,0,0]=4 437 B10R1.61 CC(=O)C1=NC=CC=C1F HR143958 [0,1,0,0,0,0|3,0,0]=4 438 B10R1.61 CC(=O)C1=NC=CC=C1O HR105092 [0,1,0,0,0,0|3,0,0]=4 439 B10R1.61 CC(=O)C1=NC=CN=C1C HR129146 [0,1,0,0,0,0|1,0,0]=2 440 B10R1.61 CC(=O)C1=NC=CN=C1N HR32672 [0,1,0,0,0,0|2,0,0]=3 441 B10R1.61 CC(=O)c1ccccc1C HR134249 [0,1,0,0,0,0|3,0,0]=4 442 B10R1.61 CC(C)C1=NC=CC=C1Br HR30705 [0,1,0,0,0,0|3,0,0]=4 443 B10R1.61 CC(O)C1=CC=CN=C1F HR152937 [0,1,0,0,0,0|3,0,0]=4 444 B10R1.61 CC1=C(C(=O)O)C=CC=N1 HR2458 [0,1,0,0,0,0|3,0,0]=4 445 B10R1.61 CC1=C(C(C)N)C=CC=C1 HR112822 [0,1,0,0,0,0|3,0,0]=4 446 B10R1.61 CC1=C(C(C)N)C=CC=C1 HR116184 [0,1,0,0,0,0|3,0,0]=4 447 B10R1.61 CC1=CC=CC=C1N(C)C HR127212 [0,1,0,0,0,0|3,0,0]=4 448 B10R1.61 CC1=CC=CN=C1B(O)O HR112365 [0,1,0,0,0,0|3,0,0]=4 449 B10R1.61 CC1=CC=CN=C1C(=O)O HR126365 [0,1,0,0,0,0|3,0,0]=4 450 B10R1.61 CC1=CC=CN=C1[N+](=O)[O-] HR126852 [0,1,0,0,0,0|3,0,0]=4 451 B10R1.61 CC1=NC=CC=C1B(O)O HR103402 [0,1,0,0,0,0|3,0,0]=4 452 B10R1.61 CC1=NC=CC=C1C(N)=O HR116737 [0,1,0,0,0,0|3,0,0]=4 453 B10R1.61 CC1=NC=CC=C1[N+](=O)[O-] HR116648 [0,1,0,0,0,0|3,0,0]=4 454 B10R1.61 CC1=NC=CC=C1[N+](=O)[O-] HR30037 [0,1,0,0,0,0|3,0,0]=4 455 B10R1.61 CC1=NC=CN=C1C(=O)O HR103342 [0,1,0,0,0,0|2,0,0]=3 456 B10R1.61 CC1=NC=CN=C1C(C)C HR146490 [0,1,0,0,0,0|1,0,0]=2 457 B10R1.61 CN(C)C1=NC=CN=C1N HR147237 [0,1,0,0,0,0|2,0,0]=3 458 B10R1.61 Cc1ccccc1C(C)N HR113136 [0,1,0,0,0,0|3,0,0]=4 459 B10R1.61 Cc1cccnc1C(=O)O HR101642 [0,1,0,0,0,0|3,0,0]=4 460 B10R1.61 NC(=O)C1=NC=CN=C1O HR103224 [0,1,0,0,0,0|3,0,0]=4 461 B10R1.61 NC1=NC=CN=C1C(=O)O HR134971 [0,1,0,0,0,0|3,0,0]=4 462 B10R1.61 O=C(O)C1=NC=CN=C1Br HR30615 [0,1,0,0,0,0|3,0,0]=4 463 B10R1.61 O=C(O)C1=NC=CN=C1Cl HR110309 [0,1,0,0,0,0|3,0,0]=4 464 B10R1.61 O=C(O)C1=NC=CN=C1I HR105202 [0,1,0,0,0,0|3,0,0]=4 465 B10R1.61 O=C(O)C1=NC=CN=C1O HR8870 [0,1,0,0,0,0|3,0,0]=4 466 B10R1.61 O=[N+]([O-])C1=NC=CN=C1Cl HR108474 [0,1,0,0,0,0|3,0,0]=4 467 B10R1.245 COC1=C(C)C=CC=C1C HR142370 [0,1,0,0,0,0|2,1,0]=4 468 B10R1.245 COC1=C(C)NC=CC1=O HR116575 [0,1,0,0,0,0|1,1,1]=4 469 B10R1.245 COC1=C(I)C=CN=C1F HR152951 [0,1,0,0,0,0|2,1,0]=4 470 B10R1.245 COC1=C(O)C=CN=C1F HR152918 [0,1,0,0,0,0|2,1,0]=4 471 B10R1.245 CSC1=C(Br)C=CC=C1Br HR154010 [0,1,0,0,0,0|3,0,0]=4 472 B10R1.245 CSC1=C(Br)C=CC=C1Cl HR154013 [0,1,0,0,0,0|3,0,0]=4 473 B10R1.245 CSC1=C(Br)C=CC=C1F HR154012 [0,1,0,0,0,0|3,0,0]=4 474 B10R1.245 CSC1=C(O)C=CC=C1Br HR31826 [0,1,0,0,0,0|3,0,0]=4 475 B10R1.245 CSC1=C(O)C=CC=C1Cl HR154061 [0,1,0,0,0,0|3,0,0]=4 476 B10R2.7 C1=CC2=C(C=C1)OCC2 HR135384 [0,0,0,1,0,0|2,1,0]=4 477 B10R2.7 C1=CC2=C(C=C1)SCN2 HR102912 [0,0,0,1,0,0|3,0,0]=4 478 B10R2.7 C1=CC=C2CCCC2=C1 HR139551 [0,0,0,1,0,0|3,0,0]=4 479 B10R2.7 C1=CC=C2NCCC2=C1 HR123117 [0,0,0,1,0,0|3,0,0]=4 480 B10R2.7 C1=CN=C2C=CSC2=C1 HR148516 [0,0,0,1,0,0|1,0,2]=4 481 B10R2.7 C1=CN=C2CNCC2=C1 HR119159 [0,0,0,1,0,0|3,0,0]=4 482 B10R2.7 C1=CN=C2CNCC2=C1 HR127230 [0,0,0,1,0,0|3,0,0]=4 483 B10R2.7 C1=CN=C2CNCC2=N1 HR33707 [0,0,0,1,0,0|2,0,0]=3 484 B10R2.7 C1=CN=C2NC=CC2=N1 HR104655 [0,0,0,1,0,0|1,0,2]=4 485 B10R2.7 C1=CN=C2NCCC2=C1 HR105139 [0,0,0,1,0,0|2,0,0]=3 486 B10R2.7 C1=CN=C2NN=CC2=N1 HR32023 [0,0,0,1,0,0|2,0,1]=4 487 B10R2.7 C1=CN=C2SC=CC2=C1 HR30727 [0,0,0,1,0,0|1,0,2]=4 488 B10R2.7 C1=CN=C2SC=CC2=N1 HR30746 [0,0,0,1,0,0|0,0,2]=3 489 B10R2.7 c1cnc2c(c1)CCC2 HR128445 [0,0,0,1,0,0|2,0,0]=3 490 B8R1.11 C=CC1=C(C)N=CS1 HR133643 [0,0,0,0,1,0|2,0,1]=4 491 B8R1.11 CC1=C(C#N)SC=C1 HR109626 [0,0,0,0,1,0|3,0,0]=4 492 B8R1.11 CC1=C(C=O)C=CS1 HR115938 [0,0,0,0,1,0|3,0,0]=4 493 B8R1.11 CC1=C(C=O)N=CN1 HR133580 [0,0,0,0,1,0|2,0,1]=4 494 B8R1.11 CC1=C(C=O)SC=C1 HR134756 [0,0,0,0,1,0|3,0,0]=4 495 B8R1.11 CC1=C(C=O)SC=N1 HR127636 [0,0,0,0,1,0|3,0,0]=4 496 B8R1.11 CC1=C(CN)SC=C1 HR120374 [0,0,0,0,1,0|3,0,0]=4 497 B8R1.11 CC1=C(CO)N=CN1 HR128534 [0,0,0,0,1,0|2,0,1]=4 498 B8R1.11 CC1=C(CO)NC=N1 HR131832 [0,0,0,0,1,0|2,0,1]=4 499 B8R1.11 CC1=C(CO)OC=N1 HR103087 [0,0,0,0,1,0|3,0,0]=4 500 B8R1.11 CC1=C(CO)SC=C1 HR109280 [0,0,0,0,1,0|3,0,0]=4 501 B8R1.11 CC1=NNC=C1C=O HR106740 [0,0,0,0,1,0|3,0,0]=4 502 B8R1.11 CC1=NOC=C1CO HR113160 [0,0,0,0,1,0|3,0,0]=4 503 B8R1.11 CC1=NSC=C1C#N HR108587 [0,0,0,0,1,0|3,0,0]=4 504 B8R1.11 CCC1=CNN=C1N DIXM01401 [0,0,0,0,1,0|3,0,0]=4 505 B8R1.11 CCC1=CNN=C1N HR148695 [0,0,0,0,1,0|3,0,0]=4 506 B8R1.11 CCN1C=CN=C1C HR142503 [0,0,0,0,1,0|2,0,0]=3 507 B8R1.11 CCN1N=CC=C1N HR136975 [0,0,0,0,1,0|3,0,0]=4 508 B8R1.11 CN1C=CN=C1C#N HR107427 [0,0,0,0,1,0|3,0,0]=4 509 B8R1.11 CN1C=CN=C1C=O HR135997 [0,0,0,0,1,0|3,0,0]=4 510 B8R1.11 CN1C=CN=C1CO HR9047 [0,0,0,0,1,0|3,0,0]=4 511 B8R1.11 CN1N=CC=C1C=O HR16289 [0,0,0,0,1,0|3,0,0]=4 512 B8R1.11 CN1N=CC=C1CN HR120987 [0,0,0,0,1,0|3,0,0]=4 513 B8R1.11 CN1N=CC=C1CO HR113473 [0,0,0,0,1,0|3,0,0]=4 514 B8R1.11 CN1N=CN=C1CO HR105325 [0,0,0,0,1,0|3,0,0]=4 515 B8R1.11 CSC1=C(Br)C=CS1 HR153246 [0,0,0,0,1,0|2,0,0]=3 516 B8R1.11 CSC1=C(C)OC=C1 HR141531 [0,0,0,0,1,0|1,0,0]=2 517 B8R1.11 CSC1=NCCN1C HR148322 [0,0,0,0,1,0|1,0,2]=4 518 B8R1.11 Cc1ccsc1[Mg]Br HR119679 [0,0,0,0,1,0|3,0,0]=4 519 B7R0.10 CC(=N/O)\C(C)=N\O HR131386 [1,0,1,0,0,0|2,0,0]=4 520 B7R0.10 CC(=N/O)\C(C)=N\O HR133474 [1,0,1,0,0,0|2,0,0]=4 521 B7R1.3 BrC1=CC=CN=C1 HR2571 [2,0,0,0,0,0|2,0,0]=4 522 B7R1.3 BrC1=NC=CC=C1 RESA03406 [2,0,0,0,0,0|2,0,0]=4 523 B7R1.3 BrC1=NC=CN=C1 HR132508 [2,0,0,0,0,0|1,0,0]=3 524 B7R1.3 CC1=CC=CC=C1 HR141847 [2,0,0,0,0,0|2,0,0]=4 525 B7R1.3 CC1=CC=CN=N1 HR118859 [2,0,0,0,0,0|2,0,0]=4 526 B7R1.3 CC1=CCC=CC1 HR142661 [2,0,0,0,0,0|2,0,0]=4 527 B7R1.3 CC1=CN=CN=C1 HR7207 [2,0,0,0,0,0|2,0,0]=4 528 B7R1.3 CC1=CN=NC=C1 HR131519 [2,0,0,0,0,0|2,0,0]=4 529 B7R1.3 CC1=NC=CC=C1 HR147066 [2,0,0,0,0,0|1,0,0]=3 530 B7R1.3 CC1=NC=CC=N1 HR127988 [2,0,0,0,0,0|2,0,0]=4 531 B7R1.3 CC1=NC=CN=C1 HR129440 [2,0,0,0,0,0|0,0,0]=2 532 B7R1.3 CC1=NC=NC=C1 HR134623 [2,0,0,0,0,0|2,0,0]=4 533 B7R1.3 Cc1ccccn1 HR136839 [2,0,0,0,0,0|1,0,0]=3 534 B7R1.3 ClC1=CC=CN=C1 HR124464 [2,0,0,0,0,0|2,0,0]=4 535 B7R1.3 ClC1=NC=CC=C1 HR13200 [2,0,0,0,0,0|2,0,0]=4 536 B7R1.3 ClC1=NC=CN=C1 HR128895 [2,0,0,0,0,0|1,0,0]=3 537 B7R1.3 FC1=CC=CN=C1 HR1095 [2,0,0,0,0,0|2,0,0]=4 538 B7R1.3 FC1=NC=CC=C1 HR1094 [2,0,0,0,0,0|2,0,0]=4 539 B7R1.3 FC1=NC=CN=C1 HR117339 [2,0,0,0,0,0|1,0,0]=3 540 B7R1.3 IC1=CC=CN=C1 HR131442 [2,0,0,0,0,0|2,0,0]=4 541 B7R1.3 IC1=NC=CC=C1 HR126390 [2,0,0,0,0,0|2,0,0]=4 542 B7R1.3 IC1=NC=CN=C1 HR119189 [2,0,0,0,0,0|1,0,0]=3 543 B7R1.3 NC1=CC=CN=C1 HR146968 [2,0,0,0,0,0|2,0,0]=4 544 B7R1.3 NC1=NC=CC=C1 HR146971 [2,0,0,0,0,0|2,0,0]=4 545 B7R1.3 NC1=NC=CN=C1 HR124249 [2,0,0,0,0,0|1,0,0]=3 546 B7R1.3 OC1=CC=CN=C1 HR133674 [2,0,0,0,0,0|1,1,0]=4 547 B7R1.3 OC1=NC=CC=C1 HR104705 [2,0,0,0,0,0|1,1,0]=4 548 B7R1.3 OC1=NC=CC=C1 HR133405 [2,0,0,0,0,0|1,1,0]=4 549 B7R1.3 OC1=NC=CN=C1 HR119328 [2,0,0,0,0,0|0,1,0]=3 550 B7R1.3 SC1=NC=CC=C1 HR115477 [2,0,0,0,0,0|1,0,0]=3 551 B7R1.3 SC1=NC=CC=C1 HR136528 [2,0,0,0,0,0|1,0,0]=3 552 B7R1.3 SC1=NC=CC=N1 HR127715 [2,0,0,0,0,0|2,0,0]=4 553 B9R1.1 C=CC1=NC=C(C)N=C1 HR141237 [1,1,0,0,0,0|1,0,1]=4 554 B9R1.1 CC1=CN=C(C#N)C=N1 HR117384 [1,1,0,0,0,0|2,0,0]=4 555 B9R1.1 CC1=CN=C(C=O)C=N1 HR120860 [1,1,0,0,0,0|2,0,0]=4 556 B9R1.1 CC1=CN=C(CCl)C=N1 HR107097 [1,1,0,0,0,0|2,0,0]=4 557 B9R1.1 CC1=CN=C(CN)C=N1 HR109910 [1,1,0,0,0,0|2,0,0]=4 558 B9R1.1 CC1=CN=C(CO)C=N1 HR147911 [1,1,0,0,0,0|2,0,0]=4 559 B9R1.1 CCC1=CN=C(Br)C=N1 HR33626 [1,1,0,0,0,0|1,0,0]=3 560 B9R1.1 CCC1=CN=C(C)C=C1 HR10482 [1,1,0,0,0,0|2,0,0]=4 561 B9R1.1 CCC1=CN=C(N)C=N1 HR148092 [1,1,0,0,0,0|1,0,0]=3 562 B9R1.1 CCC1=CN=C(O)C=C1 HR110137 [1,1,0,0,0,0|2,0,0]=4 563 B9R1.1 CCC1=NC=C(Br)C=C1 HR32793 [1,1,0,0,0,0|2,0,0]=4 564 B9R1.1 CCC1=NC=C(C)N=C1 HR128937 [1,1,0,0,0,0|1,0,0]=3 565 B9R1.1 CNC1=NC=C(Br)C=C1 HR147486 [1,1,0,0,0,0|2,0,0]=4 566 B9R1.1 CNC1=NC=C(Br)N=C1 HR106477 [1,1,0,0,0,0|1,0,0]=3 567 B9R1.1 COC1=CC=C(O)C=N1 HR32560 [1,1,0,0,0,0|1,1,0]=4 568 B9R1.1 COC1=CN=C(Br)C=C1 HR32803 [1,1,0,0,0,0|1,1,0]=4 569 B9R1.1 COC1=CN=C(Br)C=N1 HR33654 [1,1,0,0,0,0|0,1,0]=3 570 B9R1.1 COC1=CN=C(Cl)C=C1 HR103038 [1,1,0,0,0,0|1,1,0]=4 571 B9R1.1 COC1=CN=C(F)C=C1 HR32552 [1,1,0,0,0,0|1,1,0]=4 572 B9R1.1 COC1=CN=C(N)C=C1 HR32397 [1,1,0,0,0,0|1,1,0]=4 573 B9R1.1 COC1=CN=C(N)C=N1 HR102280 [1,1,0,0,0,0|0,1,0]=3 574 B9R1.1 COC1=NC=C(Br)C=C1 HR137211 [1,1,0,0,0,0|1,1,0]=4 575 B9R1.1 COC1=NC=C(C)C=C1 HR6609 [1,1,0,0,0,0|1,1,0]=4 576 B9R1.1 COC1=NC=C(C)N=C1 HR123958 [1,1,0,0,0,0|0,1,0]=3 577 B9R1.1 COC1=NC=C(Cl)C=C1 HR114485 [1,1,0,0,0,0|1,1,0]=4 578 B9R1.1 COC1=NC=C(F)C=C1 HR11248 [1,1,0,0,0,0|1,1,0]=4 579 B9R1.1 COC1=NC=C(I)C=C1 HR156588 [1,1,0,0,0,0|1,1,0]=4 580 B9R1.1 COC1=NC=C(N)C=C1 HR132091 [1,1,0,0,0,0|1,1,0]=4 581 B9R1.1 CSC1=CC=C(Br)C=C1 HR136118 [1,1,0,0,0,0|2,0,0]=4 582 B9R1.1 CSC1=CC=C(C)C=C1 HR101328 [1,1,0,0,0,0|2,0,0]=4 583 B9R1.1 CSC1=CC=C(Cl)C=C1 HR125986 [1,1,0,0,0,0|2,0,0]=4 584 B9R1.1 CSC1=CC=C(F)C=C1 HR102835 [1,1,0,0,0,0|2,0,0]=4 585 B9R1.1 CSC1=CC=C(I)C=C1 HR145122 [1,1,0,0,0,0|2,0,0]=4 586 B9R1.1 CSC1=CC=C(N)C=C1 HR138130 [1,1,0,0,0,0|2,0,0]=4 587 B9R1.1 CSC1=CC=C(O)C=C1 FEJL01902 [1,1,0,0,0,0|2,0,0]=4 588 B9R1.1 CSC1=CC=C(S)C=C1 HR136561 [1,1,0,0,0,0|2,0,0]=4 589 B9R1.1 CSC1=CN=C(Br)C=C1 HR152521 [1,1,0,0,0,0|1,0,0]=3 590 B9R1.1 CSC1=CN=C(Br)C=N1 HR107298 [1,1,0,0,0,0|0,0,0]=2 591 B9R1.1 CSC1=CN=C(C)C=N1 HR124466 [1,1,0,0,0,0|0,0,0]=2 592 B9R1.1 CSC1=CN=C(F)C=C1 HR152811 [1,1,0,0,0,0|1,0,0]=3 593 B9R1.1 CSC1=CN=C(N)C=C1 HR142025 [1,1,0,0,0,0|1,0,0]=3 594 B9R1.1 CSC1=CN=C(N)C=N1 HR109495 [1,1,0,0,0,0|0,0,0]=2 595 B9R1.1 CSC1=NC=C(Br)C=C1 HR104024 [1,1,0,0,0,0|1,0,0]=3 596 B9R1.1 CSC1=NC=C(Br)C=N1 HR33571 [1,1,0,0,0,0|2,0,0]=4 597 B9R1.1 CSC1=NC=C(C)C=C1 HR152871 [1,1,0,0,0,0|1,0,0]=3 598 B9R1.1 CSC1=NC=C(C)C=N1 HR114762 [1,1,0,0,0,0|2,0,0]=4 599 B9R1.1 CSC1=NC=C(Cl)C=C1 HR152433 [1,1,0,0,0,0|1,0,0]=3 600 B9R1.1 N#CC1=CN=C(Br)C=N1 HR107477 [1,1,0,0,0,0|2,0,0]=4 601 B9R1.1 N#CC1=CN=C(N)C=N1 HR16678 [1,1,0,0,0,0|2,0,0]=4 602 B9R1.1 N#CC1=NC=C(Cl)N=C1 HR113730 [1,1,0,0,0,0|2,0,0]=4 603 B9R1.1 O=CC1=NC=C(Cl)N=C1 HR118606 [1,1,0,0,0,0|2,0,0]=4 604 B9R1.2 CCC1=CC=CC(N)=N1 HR111426 [1,1,0,0,0,0|2,0,0]=4 605 B9R1.2 CCC1=CN=CC(Br)=C1 HR147705 [1,1,0,0,0,0|2,0,0]=4 606 B9R1.2 CCC1=NC(C)=CN=C1 HR103679 [1,1,0,0,0,0|1,0,0]=3 607 B9R1.2 CNC1=CC(Br)=CN=C1 HR33743 [1,1,0,0,0,0|2,0,0]=4 608 B9R1.2 CNC1=NC(Cl)=CC=C1 HR139033 [1,1,0,0,0,0|2,0,0]=4 609 B9R1.2 CNC1=NC(Cl)=CN=C1 HR147547 [1,1,0,0,0,0|1,0,0]=3 610 B9R1.2 CNC1=NC=CC(Br)=C1 HR30707 [1,1,0,0,0,0|2,0,0]=4 611 B9R1.2 CNC1=NC=CC(I)=C1 HR152755 [1,1,0,0,0,0|2,0,0]=4 612 B9R1.2 COC1=CC(C)=CN=C1 HR104484 [1,1,0,0,0,0|1,1,0]=4 613 B9R1.2 COC1=CC=CC(Br)=N1 HR136250 [1,1,0,0,0,0|1,1,0]=4 614 B9R1.2 COC1=CC=CC(Cl)=N1 HR136204 [1,1,0,0,0,0|1,1,0]=4 615 B9R1.2 COC1=CC=CC(I)=N1 HR32677 [1,1,0,0,0,0|1,1,0]=4 616 B9R1.2 COC1=CC=CC(N)=N1 HR12919 [1,1,0,0,0,0|1,1,0]=4 617 B9R1.2 COC1=CN=CC(Br)=C1 HR133604 [1,1,0,0,0,0|1,1,0]=4 618 B9R1.2 COC1=CN=CC(Cl)=C1 HR136337 [1,1,0,0,0,0|1,1,0]=4 619 B9R1.2 COC1=CN=CC(Cl)=N1 HR147275 [1,1,0,0,0,0|0,1,0]=3 620 B9R1.2 COC1=CN=CC(F)=C1 HR152698 [1,1,0,0,0,0|1,1,0]=4 621 B9R1.2 COC1=CN=CC(N)=C1 HR33750 [1,1,0,0,0,0|1,1,0]=4 622 B9R1.2 COC1=CN=CC(N)=N1 HR115560 [1,1,0,0,0,0|0,1,0]=3 623 B9R1.2 COC1=CN=CC(O)=C1 HR106001 [1,1,0,0,0,0|1,1,0]=4 624 B9R1.2 COC1=NC(C)=CC=C1 HR130037 [1,1,0,0,0,0|1,1,0]=4 625 B9R1.2 COC1=NC(C)=CN=C1 HR124217 [1,1,0,0,0,0|0,1,0]=3 626 B9R1.2 COC1=NC=CC(Br)=C1 HR30416 [1,1,0,0,0,0|1,1,0]=4 627 B9R1.2 COC1=NC=CC(C)=C1 HR138011 [1,1,0,0,0,0|1,1,0]=4 628 B9R1.2 COC1=NC=CC(Cl)=C1 HR6663 [1,1,0,0,0,0|1,1,0]=4 629 B9R1.2 COC1=NC=CC(F)=C1 HR109376 [1,1,0,0,0,0|1,1,0]=4 630 B9R1.2 COC1=NC=CC(I)=C1 HR108979 [1,1,0,0,0,0|1,1,0]=4 631 B9R1.2 COC1=NC=CC(N)=C1 HR117526 [1,1,0,0,0,0|1,1,0]=4 632 B9R1.2 COC1=NC=CC(N)=C1 HR6595 [1,1,0,0,0,0|1,1,0]=4 633 B9R1.2 COC1=NC=CC(O)=C1 HR143478 [1,1,0,0,0,0|1,1,0]=4 634 B9R1.2 CSC1=CC(Br)=CC=C1 PRXM00601 [1,1,0,0,0,0|2,0,0]=4 635 B9R1.2 CSC1=CC(Cl)=CC=C1 HR154063 [1,1,0,0,0,0|2,0,0]=4 636 B9R1.2 CSC1=CC(Cl)=NC=N1 HR120682 [1,1,0,0,0,0|2,0,0]=4 637 B9R1.2 CSC1=CC(F)=CC=C1 HR139303 [1,1,0,0,0,0|2,0,0]=4 638 B9R1.2 CSC1=CC(N)=CC=C1 HR10635 [1,1,0,0,0,0|2,0,0]=4 639 B9R1.2 CSC1=CC=CC(Br)=N1 HR31868 [1,1,0,0,0,0|1,0,0]=3 640 B9R1.2 CSC1=CC=CC(C)=C1 HR140264 [1,1,0,0,0,0|2,0,0]=4 641 B9R1.2 CSC1=CC=CC(I)=C1 HR139126 [1,1,0,0,0,0|2,0,0]=4 642 B9R1.2 CSC1=CN=CC(Br)=C1 HR152656 [1,1,0,0,0,0|1,0,0]=3 643 B9R1.2 CSC1=CN=CC(C)=N1 HR124732 [1,1,0,0,0,0|0,0,0]=2 644 B9R1.2 CSC1=CN=CC(Cl)=C1 HR153113 [1,1,0,0,0,0|1,0,0]=3 645 B9R1.2 CSC1=CN=CC(O)=C1 HR152980 [1,1,0,0,0,0|1,0,0]=3 646 B9R1.2 CSC1=NC(Cl)=NC=C1 HR109499 [1,1,0,0,0,0|2,0,0]=4 647 B9R1.2 CSC1=NC=CC(=O)N1 HR138000 [1,1,0,0,0,0|2,0,0]=4 648 B9R1.2 CSC1=NC=CC(Br)=N1 HR113104 [1,1,0,0,0,0|2,0,0]=4 649 B9R1.2 CSC1=NC=CC(C)=N1 HR102479 [1,1,0,0,0,0|2,0,0]=4 650 B9R1.2 CSC1=NC=CC(Cl)=C1 HR148091 [1,1,0,0,0,0|1,0,0]=3 651 B9R1.2 CSC1=NC=CC(Cl)=N1 HR138302 [1,1,0,0,0,0|2,0,0]=4 652 B9R1.2 CSC1=NC=CC(N)=N1 HR118029 [1,1,0,0,0,0|2,0,0]=4 653 B9R1.2 N#CC1=CN=CC(N)=N1 HR147815 [1,1,0,0,0,0|2,0,0]=4 654 B9R1.2 N#CC1=NC(Br)=CN=C1 HR119651 [1,1,0,0,0,0|2,0,0]=4 655 B9R1.2 N#CC1=NC(Cl)=CN=C1 HR115236 [1,1,0,0,0,0|2,0,0]=4 656 B9R1.2 O=CC1=NC(Cl)=CN=C1 HR114022 [1,1,0,0,0,0|2,0,0]=4 657 B9R1.6 CC(=O)C1=CC=CN=C1 HR124857 [1,1,0,0,0,0|2,0,0]=4 658 B9R1.6 CC(=O)C1=NC=CC=C1 HR124589 [1,1,0,0,0,0|2,0,0]=4 659 B9R1.6 CC(=O)C1=NC=CN=C1 HR124333 [1,1,0,0,0,0|1,0,0]=3 660 B9R1.6 CC(C)C1=NC=CC=C1 HR121179 [1,1,0,0,0,0|2,0,0]=4 661 B9R1.6 CC(C)C1=NC=CN=C1 HR137695 [1,1,0,0,0,0|1,0,0]=3 662 B9R1.6 CC(N)C1=NC=CC=C1 HR118573 [1,1,0,0,0,0|2,0,0]=4 663 B9R1.6 CC(N)C1=NC=CC=C1 HR139032 [1,1,0,0,0,0|2,0,0]=4 664 B9R1.6 CC(N)C1=NC=CC=C1 HR146145 [1,1,0,0,0,0|2,0,0]=4 665 B9R1.6 CC(O)C1=NC=CC=C1 HR139212 [1,1,0,0,0,0|2,0,0]=4 666 B9R1.6 CC(O)c1ccccn1 HR139125 [1,1,0,0,0,0|2,0,0]=4 667 B9R1.6 CN(C)C1=NC=CC=C1 HR100852 [1,1,0,0,0,0|2,0,0]=4 668 B9R1.6 N=C(N)C1=NC=CN=C1 HR146934 [1,1,0,0,0,0|2,0,0]=4 669 B9R1.6 NC(=O)C1=NC=CN=C1 HR134410 [1,1,0,0,0,0|2,0,0]=4 670 B9R1.6 O=C(O)C1=NC=CN=C1 HR124199 [1,1,0,0,0,0|2,0,0]=4 671 B9R1.8 BrCCC1=CC=CN=C1 HR145991 [1,1,0,0,0,0|2,0,0]=4 672 B9R1.8 BrCCC1=NC=CC=C1 HR108401 [1,1,0,0,0,0|2,0,0]=4 673 B9R1.8 BrCCC1=NC=CC=C1 HR140265 [1,1,0,0,0,0|2,0,0]=4 674 B9R1.8 CCCC1=NC=CC=C1 HR129514 [1,1,0,0,0,0|2,0,0]=4 675 B9R1.8 CCOC1=NC=CC=C1 HR1126 [1,1,0,0,0,0|1,1,0]=4 676 B9R1.8 CCOC1=NC=CN=C1 HR132551 [1,1,0,0,0,0|0,1,0]=3 677 B9R1.8 CNCC1=CC=CN=C1 HR115545 [1,1,0,0,0,0|2,0,0]=4 678 B9R1.8 CNCC1=NC=CN=C1 HR146839 [1,1,0,0,0,0|1,0,0]=3 679 B9R1.8 COCC1=NC=CC=C1 HR139025 [1,1,0,0,0,0|1,1,0]=4 680 B9R1.8 CSCC1=CC=CC=C1 HR135285 [1,1,0,0,0,0|2,0,0]=4 681 B9R1.8 CSSC1=CC=CC=C1 HR128216 [1,1,0,0,0,0|2,0,0]=4 682 B9R1.8 ClCCC1=NC=CC=C1 HR142690 [1,1,0,0,0,0|2,0,0]=4 683 B9R1.8 ClCSC1=CC=CC=C1 HR129663 [1,1,0,0,0,0|2,0,0]=4 684 B9R1.8 NCCC1=CC=CN=C1 HR134041 [1,1,0,0,0,0|2,0,0]=4 685 B9R1.8 NCCC1=NC=CC=C1 HR141302 [1,1,0,0,0,0|2,0,0]=4 686 B9R1.8 NNCC1=NC=CN=C1 HR116503 [1,1,0,0,0,0|2,0,0]=4 687 B9R1.8 OCCC1=CC=CN=C1 HR117461 [1,1,0,0,0,0|2,0,0]=4 688 B9R1.8 OCCC1=NC=CC=C1 HR132012 [1,1,0,0,0,0|2,0,0]=4 689 B9R1.8 OCCC1=NC=CN=C1 HR109193 [1,1,0,0,0,0|1,0,0]=3 690 B9R1.8 SCCC1=NC=CN=C1 HR126064 [1,1,0,0,0,0|1,0,0]=3 691 B9R1.3 CC1=C(Br)C=CN=C1F HR152447 [1,1,0,0,0,0|2,0,0]=4 692 B9R1.3 CC1=C(C)C(Cl)=NC=C1 HR144296 [1,1,0,0,0,0|2,0,0]=4 693 B9R1.3 CC1=C(C)C(N)=NC=C1 HR139131 [1,1,0,0,0,0|2,0,0]=4 694 B9R1.3 CC1=C(Cl)C=CN=C1Cl HR105522 [1,1,0,0,0,0|2,0,0]=4 695 B9R1.3 CC1=C(F)C=CN=C1Cl HR153042 [1,1,0,0,0,0|2,0,0]=4 696 B9R1.3 CC1=C(I)C=CN=C1Cl HR31818 [1,1,0,0,0,0|2,0,0]=4 697 B9R1.3 CC1=C(I)C=CN=C1F HR6315 [1,1,0,0,0,0|2,0,0]=4 698 B9R1.3 CC1=CC=CC(C)=C1S HR129260 [1,1,0,0,0,0|2,0,0]=4 699 B9R1.3 CC1=CC=CC(F)=C1C HR107039 [1,1,0,0,0,0|2,0,0]=4 700 B9R1.3 CC1=CC=CC(I)=C1C HR112829 [1,1,0,0,0,0|2,0,0]=4 701 B9R1.3 CC1=CC=CC(S)=C1C HR6883 [1,1,0,0,0,0|2,0,0]=4 702 B9R1.3 CC1=CC=C[N+]([O-])=C1C HR139302 [1,1,0,0,0,0|1,0,1]=4 703 B9R1.3 CC1=NC=CC(Br)=C1N HR137248 [1,1,0,0,0,0|2,0,0]=4 704 B9R1.3 CC1=NC=CC(C)=C1Br HR30407 [1,1,0,0,0,0|2,0,0]=4 705 B9R1.3 CC1=NC=CC(C)=C1N HR114285 [1,1,0,0,0,0|2,0,0]=4 706 B9R1.3 CC1=NC=CC(Cl)=C1C HR32522 [1,1,0,0,0,0|1,0,0]=3 707 B9R1.3 CC1=NC=CC(N)=C1C HR104547 [1,1,0,0,0,0|1,0,0]=3 708 B9R1.3 CC1=NC=CC(N)=C1Cl HR104798 [1,1,0,0,0,0|2,0,0]=4 709 B9R1.3 CC1=NC=CC(N)=C1N HR110376 [1,1,0,0,0,0|2,0,0]=4 710 B9R1.3 Cc1cccc(Cl)c1C HR112477 [1,1,0,0,0,0|2,0,0]=4 711 B9R1.69 CC1=C(Br)C=C(N)C=N1 HR102696 [1,1,0,0,0,0|2,0,0]=4 712 B9R1.69 CC1=C(Br)C=CC(N)=N1 HR129359 [1,1,0,0,0,0|2,0,0]=4 713 B9R1.69 CC1=C(Br)N=CC(N)=N1 HR148506 [1,1,0,0,0,0|1,0,0]=3 714 B9R1.69 CC1=C(Br)N=CC(O)=C1 HR34016 [1,1,0,0,0,0|2,0,0]=4 715 B9R1.69 CC1=C(C)C=C(Br)C=C1 HR146976 [1,1,0,0,0,0|2,0,0]=4 716 B9R1.69 CC1=C(C)C=C(Cl)C=C1 HR143529 [1,1,0,0,0,0|2,0,0]=4 717 B9R1.69 CC1=C(C)C=C(F)C=C1 HR129824 [1,1,0,0,0,0|2,0,0]=4 718 B9R1.69 CC1=C(C)C=C(I)C=C1 HR126918 [1,1,0,0,0,0|2,0,0]=4 719 B9R1.69 CC1=C(C)C=C(O)C=C1 HR154713 [1,1,0,0,0,0|2,0,0]=4 720 B9R1.69 CC1=C(C)C=C(S)C=C1 HR144805 [1,1,0,0,0,0|2,0,0]=4 721 B9R1.69 CC1=C(C)N=C(N)C=C1 HR139308 [1,1,0,0,0,0|1,0,0]=3 722 B9R1.69 CC1=C(C)N=C(N)C=N1 HR31738 [1,1,0,0,0,0|0,0,0]=2 723 B9R1.69 CC1=C(C)N=C(O)C=N1 HR33192 [1,1,0,0,0,0|0,0,0]=2 724 B9R1.69 CC1=C(Cl)C=C(O)C=N1 HR33361 [1,1,0,0,0,0|2,0,0]=4 725 B9R1.69 CC1=C(Cl)C=CC(N)=N1 HR100468 [1,1,0,0,0,0|2,0,0]=4 726 B9R1.69 CC1=C(Cl)N=C(N)C=C1 HR145128 [1,1,0,0,0,0|2,0,0]=4 727 B9R1.69 CC1=C(Cl)N=CC(N)=C1 HR146752 [1,1,0,0,0,0|2,0,0]=4 728 B9R1.69 CC1=C(Cl)N=CC(O)=C1 HR118788 [1,1,0,0,0,0|2,0,0]=4 729 B9R1.69 CC1=C(F)C=CC(Br)=N1 HR1135 [1,1,0,0,0,0|2,0,0]=4 730 B9R1.69 CC1=C(F)C=CC(Cl)=N1 HR6219 [1,1,0,0,0,0|2,0,0]=4 731 B9R1.69 CC1=C(F)C=CC(N)=N1 HR144158 [1,1,0,0,0,0|2,0,0]=4 732 B9R1.69 CC1=C(F)N=CC(N)=C1 HR130139 [1,1,0,0,0,0|2,0,0]=4 733 B9R1.69 CC1=C(N)C=CC(Br)=N1 HR137508 [1,1,0,0,0,0|2,0,0]=4 734 B9R1.69 CC1=C(N)C=CC(F)=N1 HR132770 [1,1,0,0,0,0|2,0,0]=4 735 B9R1.69 CC1=C(S)C=C(Cl)C=C1 HR140266 [1,1,0,0,0,0|2,0,0]=4 736 B9R1.69 CC1=C(S)C=CC(F)=C1 HR141571 [1,1,0,0,0,0|2,0,0]=4 737 B9R1.69 CC1=CC(Br)=CN=C1Br HR1138 [1,1,0,0,0,0|2,0,0]=4 738 B9R1.69 CC1=CC(Br)=CN=C1C HR112373 [1,1,0,0,0,0|1,0,0]=3 739 B9R1.69 CC1=CC(Br)=CN=C1Cl HR128272 [1,1,0,0,0,0|2,0,0]=4 740 B9R1.69 CC1=CC(Br)=CN=C1F HR1136 [1,1,0,0,0,0|2,0,0]=4 741 B9R1.69 CC1=CC(Br)=CN=C1I HR104088 [1,1,0,0,0,0|2,0,0]=4 742 B9R1.69 CC1=CC(Br)=CN=C1N HR1236 [1,1,0,0,0,0|2,0,0]=4 743 B9R1.69 CC1=CC(Br)=CN=C1N HR156700 [1,1,0,0,0,0|2,0,0]=4 744 B9R1.69 CC1=CC(Br)=CN=C1O HR6562 [1,1,0,0,0,0|1,1,0]=4 745 B9R1.69 CC1=CC(C)=C(S)C=C1 HR34171 [1,1,0,0,0,0|2,0,0]=4 746 B9R1.69 CC1=CC(Cl)=CN=C1Br HR128837 [1,1,0,0,0,0|2,0,0]=4 747 B9R1.69 CC1=CC(Cl)=CN=C1Cl HR15129 [1,1,0,0,0,0|2,0,0]=4 748 B9R1.69 CC1=CC(Cl)=CN=C1F HR123011 [1,1,0,0,0,0|2,0,0]=4 749 B9R1.69 CC1=CC(Cl)=CN=C1N HR111151 [1,1,0,0,0,0|2,0,0]=4 750 B9R1.69 CC1=CC(Cl)=CN=C1O HR9824 [1,1,0,0,0,0|1,1,0]=4 751 B9R1.69 CC1=CC(F)=CN=C1Br HR5965 [1,1,0,0,0,0|2,0,0]=4 752 B9R1.69 CC1=CC(F)=CN=C1Cl HR6220 [1,1,0,0,0,0|2,0,0]=4 753 B9R1.69 CC1=CC(F)=CN=C1N HR144256 [1,1,0,0,0,0|2,0,0]=4 754 B9R1.69 CC1=CC(I)=CN=C1Br HR109835 [1,1,0,0,0,0|2,0,0]=4 755 B9R1.69 CC1=CC(I)=CN=C1Cl HR108889 [1,1,0,0,0,0|2,0,0]=4 756 B9R1.69 CC1=CC(I)=CN=C1F HR152539 [1,1,0,0,0,0|2,0,0]=4 757 B9R1.69 CC1=CC(I)=CN=C1N HR130662 [1,1,0,0,0,0|2,0,0]=4 758 B9R1.69 CC1=CC(N)=CN=C1Br HR137503 [1,1,0,0,0,0|2,0,0]=4 759 B9R1.69 CC1=CC(O)=CN=C1F HR6320 [1,1,0,0,0,0|2,0,0]=4 760 B9R1.69 CC1=CC(S)=C(C)C=C1 HR136062 [1,1,0,0,0,0|2,0,0]=4 761 B9R1.69 CC1=CC=C(Br)C(C)=N1 HR129847 [1,1,0,0,0,0|2,0,0]=4 762 B9R1.69 CC1=CC=C(Br)N=C1N HR33718 [1,1,0,0,0,0|2,0,0]=4 763 B9R1.69 CC1=CC=C(C)C(N)=N1 HR111739 [1,1,0,0,0,0|2,0,0]=4 764 B9R1.69 CC1=CC=C(Cl)N=C1Cl HR105715 [1,1,0,0,0,0|2,0,0]=4 765 B9R1.69 CC1=CC=C(F)N=C1C HR152686 [1,1,0,0,0,0|1,0,0]=3 766 B9R1.69 CC1=CC=C(N)C(C)=N1 HR142085 [1,1,0,0,0,0|2,0,0]=4 767 B9R1.69 CC1=CC=C(O)C(C)=N1 HR129321 [1,1,0,0,0,0|1,1,0]=4 768 B9R1.69 CC1=CN=C(Br)C(C)=C1 HR16831 [1,1,0,0,0,0|2,0,0]=4 769 B9R1.69 CC1=CN=C(C)C(Br)=C1 HR119302 [1,1,0,0,0,0|2,0,0]=4 770 B9R1.69 CC1=CN=C(C)C(C)=C1 HR15901 [1,1,0,0,0,0|1,0,0]=3 771 B9R1.69 CC1=CN=C(C)C(C)=N1 HR138322 [1,1,0,0,0,0|0,0,0]=2 772 B9R1.69 CC1=CN=C(C)C(Cl)=N1 HR102851 [1,1,0,0,0,0|1,0,0]=3 773 B9R1.69 CC1=CN=C(Cl)C(C)=N1 HR120181 [1,1,0,0,0,0|1,0,0]=3 774 B9R1.69 CC1=CN=C(F)C(C)=C1 HR152586 [1,1,0,0,0,0|2,0,0]=4 775 B9R1.69 CC1=CN=C(N)C(Br)=N1 HR114490 [1,1,0,0,0,0|2,0,0]=4 776 B9R1.69 CC1=CN=C(N)C(Cl)=N1 HR119707 [1,1,0,0,0,0|2,0,0]=4 777 B9R1.69 CC1=CN=C(O)C(C)=N1 HR148143 [1,1,0,0,0,0|0,1,0]=3 778 B9R1.69 CC1=NC(Br)=CC=C1Br HR3580 [1,1,0,0,0,0|2,0,0]=4 779 B9R1.69 CC1=NC(Br)=CN=C1Cl HR33317 [1,1,0,0,0,0|1,0,0]=3 780 B9R1.69 CC1=NC(Br)=CN=C1N HR33316 [1,1,0,0,0,0|1,0,0]=3 781 B9R1.69 CC1=NC(Cl)=CC=C1Br HR114169 [1,1,0,0,0,0|2,0,0]=4 782 B9R1.69 CC1=NC(Cl)=CC=C1I HR108573 [1,1,0,0,0,0|2,0,0]=4 783 B9R1.69 CC1=NC(Cl)=CC=C1N HR1246 [1,1,0,0,0,0|2,0,0]=4 784 B9R1.69 CC1=NC(Cl)=CC=C1O HR152955 [1,1,0,0,0,0|1,1,0]=4 785 B9R1.69 CC1=NC(F)=CC=C1Br HR127494 [1,1,0,0,0,0|2,0,0]=4 786 B9R1.69 CC1=NC(F)=CC=C1I HR105022 [1,1,0,0,0,0|2,0,0]=4 787 B9R1.69 CC1=NC(F)=CC=C1O HR152684 [1,1,0,0,0,0|1,1,0]=4 788 B9R1.69 CC1=NC(I)=CC=C1Br HR153026 [1,1,0,0,0,0|2,0,0]=4 789 B9R1.69 CC1=NC(N)=CC=C1I HR103716 [1,1,0,0,0,0|2,0,0]=4 790 B9R1.69 CC1=NC(O)=CC=C1Br HR142500 [1,1,0,0,0,0|2,0,0]=4 791 B9R1.69 CC1=NC=C(Br)C=C1Br HR16457 [1,1,0,0,0,0|2,0,0]=4 792 B9R1.69 CC1=NC=C(Br)C=C1Cl HR30322 [1,1,0,0,0,0|2,0,0]=4 793 B9R1.69 CC1=NC=C(Br)C=C1N HR17523 [1,1,0,0,0,0|2,0,0]=4 794 B9R1.69 CC1=NC=C(Br)C=C1O HR148745 [1,1,0,0,0,0|1,1,0]=4 795 B9R1.69 CC1=NC=C(Br)N=C1C HR31736 [1,1,0,0,0,0|0,0,0]=2 796 B9R1.69 CC1=NC=C(Cl)N=C1C HR31737 [1,1,0,0,0,0|0,0,0]=2 797 B9R1.69 CC1=NC=C(O)C=C1Br HR6702 [1,1,0,0,0,0|2,0,0]=4 798 B9R1.69 Cc1nc(Br)ccc1O HR152628 [1,1,0,0,0,0|1,1,0]=4 799 B9R1.69 ClC1=CN=C(I)C(Cl)=N1 HR148715 [1,1,0,0,0,0|2,0,0]=4 800 B9R1.69 ClC1=NC=C(Br)N=C1Br HR148565 [1,1,0,0,0,0|2,0,0]=4 801 B9R1.69 NC1=NC(Br)=CN=C1Br HR30614 [1,1,0,0,0,0|2,0,0]=4 802 B9R1.69 NC1=NC(Br)=CN=C1Cl HR30617 [1,1,0,0,0,0|2,0,0]=4 803 B9R1.69 NC1=NC(Cl)=C(Br)N=C1 HR30401 [1,1,0,0,0,0|2,0,0]=4 804 B9R1.69 NC1=NC(Cl)=CN=C1Br HR32779 [1,1,0,0,0,0|2,0,0]=4 805 B9R1.69 NC1=NC(Cl)=CN=C1Cl HR30618 [1,1,0,0,0,0|2,0,0]=4 806 B9R1.69 NC1=NC=C(Br)N=C1Br HR138786 [1,1,0,0,0,0|2,0,0]=4 807 B9R1.69 NC1=NC=C(Br)N=C1Cl HR148155 [1,1,0,0,0,0|2,0,0]=4 808 B9R1.69 NC1=NC=C(Br)N=C1N HR115749 [1,1,0,0,0,0|2,0,0]=4 809 B9R1.69 NC1=NC=C(Cl)N=C1Br HR30619 [1,1,0,0,0,0|2,0,0]=4 810 B9R1.69 NC1=NC=C(Cl)N=C1Cl HR108227 [1,1,0,0,0,0|2,0,0]=4 811 B9R1.14 CSC1=C(C=O)C=CS1 HR153249 [0,1,0,0,1,0|1,0,1]=4 812 B9R1.22 CCN1N=C(C)C=C1C HR142696 [0,1,0,0,1,0|2,0,0]=4 813 B9R1.27 CCC1=C(C)NC=C1C HR128252 [0,1,0,0,1,0|1,0,1]=4 814 B9R1.33 CC1=C(CCCl)SC=N1 HR133331 [0,1,0,0,1,0|2,0,0]=4 815 B9R1.33 CC1=C(CCN)SC=N1 HR107058 [0,1,0,0,1,0|2,0,0]=4 816 B9R1.33 CC1=C(CCO)SC=N1 HR122761 [0,1,0,0,1,0|2,0,0]=4 817 B9R1.33 CC1=NC=CN1CCO HR142319 [0,1,0,0,1,0|2,0,0]=4 818 B9R1.33 CCOC1=C(C)N=CO1 HR8651 [0,1,0,0,1,0|1,1,0]=4 819 B9R1.33 CNCC1=NON=C1C HR105720 [0,1,0,0,1,0|2,0,0]=4 820 B9R1.33 CSSC1=C(C)OC=C1 HR144617 [0,1,0,0,1,0|1,0,0]=3 821 B9R1.41 CC(=O)C1=C(C)C=CS1 HR129084 [0,1,0,0,1,0|2,0,0]=4 822 B9R1.41 CC(=O)C1=C(C)N=CS1 HR31788 [0,1,0,0,1,0|2,0,0]=4 823 B9R1.41 CC(=O)C1=CC=NN1C HR114706 [0,1,0,0,1,0|2,0,0]=4 824 B11R1.265 CSC1=C(CO)C=CC=C1Br HR155957 [0,2,0,0,0,0|2,0,0]=4 825 B11R1.265 CSC1=CC=CC(Br)=C1CO HR155681 [0,2,0,0,0,0|2,0,0]=4 826 B11R1.265 CSC1=CC=CC(Cl)=C1CO HR155683 [0,2,0,0,0,0|2,0,0]=4 827 B11R1.41 CCOC1=NC=CC=C1CO HR153108 [0,2,0,0,0,0|1,1,0]=4 828 B11R1.41 CCOC1=NC=CN=C1CC HR105528 [0,2,0,0,0,0|0,1,0]=3 829 B11R1.81 CCOC1=C(C)N=C(N)C=C1 HR33538 [0,2,0,0,0,0|1,1,0]=4 830 B11R1.81 CCOC1=CC=C(Br)N=C1C HR155559 [0,2,0,0,0,0|1,1,0]=4 831 B11R1.81 CCOC1=NC=C(Br)C=C1C HR152548 [0,2,0,0,0,0|1,1,0]=4 832 B11R1.86 CC1=NC=CN=C1CC(C)C HR133904 [0,2,0,0,0,0|1,0,0]=3 833 B11R1.182 CCNC1=NC(Br)=CN=C1N HR147248 [0,2,0,0,0,0|2,0,0]=4 834 B11R1.182 CCOC1=NC(Br)=CN=C1N HR147249 [0,2,0,0,0,0|1,1,0]=4 835 B11R1.222 COC(=O)C1=C(C)N=CC=C1 HR118985 [0,2,0,0,0,0|1,1,0]=4 836 B11R1.222 COC(=O)C1=NC=CC=C1C HR109173 [0,2,0,0,0,0|1,1,0]=4 837 B11R1.222 COC(=O)C1=NC=CN=C1Br HR31741 [0,2,0,0,0,0|1,1,0]=4 838 B11R1.222 COC(=O)C1=NC=CN=C1Cl HR101961 [0,2,0,0,0,0|1,1,0]=4 839 B11R1.222 COC(=O)C1=NC=CN=C1I HR104890 [0,2,0,0,0,0|1,1,0]=4 840 B11R1.222 COC(=O)C1=NC=CN=C1N HR127982 [0,2,0,0,0,0|1,1,0]=4 841 B11R1.222 COC(=O)C1=NC=CN=C1O HR147649 [0,2,0,0,0,0|1,1,0]=4 842 B11R1.37 CCC1=NC=C(C)N=C1CC HR128596 [0,2,0,0,0,0|1,0,0]=3 843 B11R1.37 COC1=C(OC)N=C(N)C=C1 HR115522 [0,2,0,0,0,0|1,1,0]=4 844 B11R1.37 COC1=C(OC)N=CC(N)=C1 HR121612 [0,2,0,0,0,0|1,1,0]=4 845 B11R1.37 COC1=C(SC)C=C(Br)C=C1 HR154111 [0,2,0,0,0,0|2,0,0]=4 846 B11R1.37 COC1=C(SC)C=CC(F)=C1 HR153938 [0,2,0,0,0,0|2,0,0]=4 847 B11R1.37 COC1=CC(Br)=CN=C1OC HR152614 [0,2,0,0,0,0|1,1,0]=4 848 B11R1.37 COC1=NC=C(Br)C=C1CO HR33652 [0,2,0,0,0,0|1,1,0]=4 849 B11R1.37 COC1=NC=C(Br)N=C1OC HR148666 [0,2,0,0,0,0|0,1,0]=3 850 B11R1.37 COC1=NC=C(Cl)C=C1CO HR153114 [0,2,0,0,0,0|1,1,0]=4 851 B11R1.37 CSC1=C(C=O)C=C(C)C=N1 HR153039 [0,2,0,0,0,0|1,0,1]=4 852 B11R1.37 CSC1=C(CO)C=C(F)C=C1 HR153772 [0,2,0,0,0,0|2,0,0]=4 853 B11R1.53 CCC1=NC=CN=C1C(C)=O HR129395 [0,2,0,0,0,0|1,0,0]=3 854 B11R1.53 COC1=NC=CC=C1C(C)=O HR30289 [0,2,0,0,0,0|1,1,0]=4 855 B11R1.53 COC1=NC=CN=C1C(=O)O HR30403 [0,2,0,0,0,0|0,1,1]=4 856 B11R1.53 COC1=NC=CN=C1C(C)C HR126574 [0,2,0,0,0,0|0,1,0]=3 857 B11R1.166 CC(=O)C1=NC=C(C)N=C1C HR126312 [0,2,0,0,0,0|1,0,0]=3 858 B11R1.166 CN(C)C1=NC=C(Br)N=C1Br HR147845 [0,2,0,0,0,0|2,0,0]=4 859 B11R1.277 CC1=NC(C)=C(C)N=C1C=O HR118755 [0,2,0,0,0,0|2,0,0]=4 860 B11R1.277 CC1=NC(C)=C(C)N=C1CBr HR105816 [0,2,0,0,0,0|2,0,0]=4 861 B11R1.277 CC1=NC(C)=C(C)N=C1CO HR121191 [0,2,0,0,0,0|2,0,0]=4 862 B11R1.279 CCC1=CN=C(CC)C(Cl)=N1 HR121507 [0,2,0,0,0,0|2,0,0]=4 863 B11R1.279 COC1=C(C)C=C(C#N)C=N1 HR153013 [0,2,0,0,0,0|1,1,0]=4 864 B11R1.279 COC1=C(C)N=C(C=O)C=C1 HR153154 [0,2,0,0,0,0|1,1,0]=4 865 B11R1.279 COC1=CN=C(OC)C(C)=C1 HR152925 [0,2,0,0,0,0|1,1,0]=4 866 B11R1.279 COC1=NC=C(C=O)C=C1C HR152544 [0,2,0,0,0,0|1,1,0]=4 867 B11R1.279 COc1ncc(CO)cc1C HR152823 [0,2,0,0,0,0|1,1,0]=4 868 B11R1.279 CSC1=C(C)C=C(C=O)C=N1 HR152798 [0,2,0,0,0,0|1,0,0]=3 869 B11R1.279 CSC1=C(C)C=C(CO)C=N1 HR153005 [0,2,0,0,0,0|1,0,0]=3 870 B11R1.464 CSC1=C(C)C=C(O)C=C1C HR135960 [0,2,0,0,0,0|2,0,0]=4 871 B11R1.167 CC(=O)C1=NC(C)=CC=C1C HR109878 [0,2,0,0,0,0|2,0,0]=4 872 B11R1.167 CN(C)C1=NC(Br)=CN=C1N HR147247 [0,2,0,0,0,0|2,0,0]=4 873 B11R1.280 CSC1=C(C)C=CC(C=O)=C1 HR154285 [0,2,0,0,0,0|2,0,0]=4 874 B11R2.106 ClC1=C2CCCC2=NC=C1 HR143470 [0,1,0,1,0,0|2,0,0]=4 875 B11R2.106 NC1=C2CCCC2=NC=C1 HR148690 [0,1,0,1,0,0|2,0,0]=4 876 B11R2.20 C1=CC2=C(C=C1)SCCN2 HR118047 [0,1,0,1,0,0|2,0,0]=4 877 B11R2.20 C1=CC2=C(CCCC2)N=C1 HR5891 [0,1,0,1,0,0|2,0,0]=4 878 B11R2.20 C1=CC2=C(CCNC2)N=C1 HR103858 [0,1,0,1,0,0|2,0,0]=4 879 B11R2.20 C1=CC2=C(CNCC2)N=C1 HR109863 [0,1,0,1,0,0|2,0,0]=4 880 B11R2.20 C1=CC2=C(N=C1)NCCN2 HR148066 [0,1,0,1,0,0|2,0,0]=4 881 B11R2.20 C1=CN=C2OCCOC2=C1 HR115317 [0,1,0,1,0,0|1,1,0]=4 882 B11R2.20 C1=NC2=C(CCCC2)N=C1 HR125432 [0,1,0,1,0,0|1,0,0]=3 883 B11R2.55 CC1=NC=CC=C1C2CC2 HR153024 [0,1,0,1,0,0|2,0,0]=4 884 B11R2.1 BrC1=CSC2=NC=CN=C12 HR148195 [0,1,0,1,0,0|0,0,2]=4 885 B11R2.1 CC1=NNC2=NC=CN=C12 HR32025 [0,1,0,1,0,0|2,0,0]=4 886 B11R2.1 CC1CCC2=NC=CN=C21 HR126840 [0,1,0,1,0,0|1,0,0]=3 887 B11R2.1 NC1=CSC2=NC=CN=C12 HR117196 [0,1,0,1,0,0|0,0,2]=4 888 B11R2.1 NC1CCC2=CC=CN=C21 HR116980 [0,1,0,1,0,0|2,0,0]=4 889 B11R2.1 NC1CCC2=CC=CN=C21 HR117613 [0,1,0,1,0,0|2,0,0]=4 890 B11R2.1 NC1CCC2=NC=CC=C21 HR118244 [0,1,0,1,0,0|2,0,0]=4 891 B11R2.1 NC1COC2=NC=CC=C21 HR33721 [0,1,0,1,0,0|1,1,0]=4 892 B11R2.1 O=C1CCC2=CC=CN=C12 HR118555 [0,1,0,1,0,0|2,0,0]=4 893 B11R2.1 O=C1CCC2=NC=CC=C12 HR135451 [0,1,0,1,0,0|2,0,0]=4 894 B11R2.1 OC1CCC2=CC=CN=C21 HR117300 [0,1,0,1,0,0|2,0,0]=4 895 B11R2.1 OC1CCC2=CC=CN=C21 HR117929 [0,1,0,1,0,0|2,0,0]=4 896 B11R2.1 OC1COC2=NC=CC=C21 HR120895 [0,1,0,1,0,0|1,1,0]=4 897 B11R2.36 BrC1=CN=C2NCCC2=C1 HR101994 [0,1,0,1,0,0|2,0,0]=4 898 B11R2.36 ClC1=CC=C2CCCC2=N1 HR116861 [0,1,0,1,0,0|2,0,0]=4 899 B7R1.1 CCC1=CC=CO1 HR125873 [1,0,0,0,1,0|2,0,0]=4 900 B7R1.1 CCC1=CC=CS1 HR111385 [1,0,0,0,1,0|2,0,0]=4 901 B7R1.1 CCC1=CSC=C1 HR124094 [1,0,0,0,1,0|2,0,0]=4 902 B7R1.1 CCC1=NC=CN1 HR15972 [1,0,0,0,1,0|1,0,1]=4 903 B7R1.1 CCC1=NC=CS1 HR130841 [1,0,0,0,1,0|2,0,0]=4 904 B7R1.1 CCN1C=CC=N1 HR102255 [1,0,0,0,1,0|2,0,0]=4 905 B7R1.1 CCN1C=CN=C1 HR124211 [1,0,0,0,1,0|2,0,0]=4 906 B7R1.1 CCN1C=NC=N1 HR113069 [1,0,0,0,1,0|2,0,0]=4 907 B7R1.1 CNC1=CN=CO1 HR119721 [1,0,0,0,1,0|2,0,0]=4 908 B7R1.1 CNC1=COC=N1 HR112378 [1,0,0,0,1,0|2,0,0]=4 909 B7R1.1 CNC1=NC=CS1 HR148142 [1,0,0,0,1,0|2,0,0]=4 910 B7R1.1 COC1=CC=CS1 HR128854 [1,0,0,0,1,0|1,1,0]=4 911 B7R1.1 COC1=CSC=C1 HR138278 [1,0,0,0,1,0|1,1,0]=4 912 B7R1.1 COC1=NC=CS1 HR146614 [1,0,0,0,1,0|1,1,0]=4 913 B7R1.1 CSC1=CC=CS1 HR119424 [1,0,0,0,1,0|1,0,0]=3 914 B7R1.1 CSC1=CSC=C1 HR153189 [1,0,0,0,1,0|1,0,0]=3 915 B7R1.1 CSC1=NNN=N1 HR135812 [1,0,0,0,1,0|2,0,0]=4 916 B7R1.4 CC1=C(Br)C=CS1 HR128369 [1,0,0,0,1,0|2,0,0]=4 917 B7R1.4 CC1=C(Br)NC=N1 HR109319 [1,0,0,0,1,0|1,0,1]=4 918 B7R1.4 CC1=C(Br)SC=C1 HR5191 [1,0,0,0,1,0|2,0,0]=4 919 B7R1.4 CC1=C(C)NC=N1 HR8044 [1,0,0,0,1,0|0,0,1]=3 920 B7R1.4 CC1=C(C)ON=C1 HR105616 [1,0,0,0,1,0|2,0,0]=4 921 B7R1.4 CC1=C(C)SC=N1 HR135526 [1,0,0,0,1,0|1,0,0]=3 922 B7R1.4 CC1=C(Cl)SC=C1 HR130722 [1,0,0,0,1,0|2,0,0]=4 923 B7R1.4 CC1=C(S)C=CO1 HR127105 [1,0,0,0,1,0|1,0,0]=3 924 B7R1.4 CC1=C(S)C=CO1 HR138863 [1,0,0,0,1,0|1,0,0]=3 925 B7R1.4 CC1=C(S)C=CS1 HR109926 [1,0,0,0,1,0|1,0,0]=3 926 B7R1.4 CC1=CC=NN1C HR125646 [1,0,0,0,1,0|1,0,0]=3 927 B7R1.4 CC1=CNN=C1C HR107041 [1,0,0,0,1,0|1,0,0]=3 928 B7R1.4 CC1=CSC=C1C HR112647 [1,0,0,0,1,0|2,0,0]=4 929 B7R1.4 CC1=NC=CN1C HR128907 [1,0,0,0,1,0|1,0,0]=3 930 B7R1.4 CC1=NNC=C1Br HR131439 [1,0,0,0,1,0|2,0,0]=4 931 B7R1.4 CC1=NNC=C1I HR131707 [1,0,0,0,1,0|2,0,0]=4 932 B7R1.4 CN1C=CN=C1Br HR30218 [1,0,0,0,1,0|2,0,0]=4 933 B7R1.4 CN1C=CN=C1Cl HR135994 [1,0,0,0,1,0|2,0,0]=4 934 B7R1.4 CN1C=CN=C1I HR31950 [1,0,0,0,1,0|2,0,0]=4 935 B7R1.4 CN1N=CC=C1Br HR103779 [1,0,0,0,1,0|2,0,0]=4 936 B7R1.4 CN1N=CC=C1I HR109583 [1,0,0,0,1,0|2,0,0]=4 937 B7R1.4 CN1N=CC=C1N HR120280 [1,0,0,0,1,0|2,0,0]=4 938 B7R1.4 CN1N=CC=C1O HR119356 [1,0,0,0,1,0|1,1,0]=4 939 B7R1.4 CN1N=CN=C1Br HR103652 [1,0,0,0,1,0|2,0,0]=4 940 B7R1.4 CN1N=CN=C1N HR33305 [1,0,0,0,1,0|2,0,0]=4 941 B7R1.4 CN1N=NN=C1S HR135016 [1,0,0,0,1,0|2,0,0]=4