0 B9R1.8 BrCCC1=CC=CN=C1 21399 [0,0,0,0,0,0|2,0,1]=3 1 B9R1.8 BrCCC1=NC=CC=C1 23421 [0,0,0,0,0,0|2,0,1]=3 2 B9R1.8 Br[Mg]CC1=CC=CC=C1 20182 [0,0,0,0,0,0|2,0,0]=2 3 B9R1.8 C=CCC1=CC=CC=C1 29358 [0,0,0,0,0,0|1,0,0]=1 4 B9R1.8 C=CSC1=CC=CC=C1 10778 [0,0,0,0,0,0|2,0,0]=2 5 B9R1.8 CCCC1=CC=CC=C1 10852 [0,0,0,0,0,0|1,0,1]=2 6 B9R1.8 CCCC1=CC=NC=C1 15021 [0,0,0,0,0,0|2,0,1]=3 7 B9R1.8 CCOC1=CC=NC=C1 1125 [0,0,0,0,0,0|3,0,1]=4 8 B9R1.8 CCOC1=NC=CC=C1 1126 [0,0,0,0,0,0|3,0,1]=4 9 B9R1.8 CCSC1=CC=CC=C1 10773 [0,0,0,0,0,0|2,0,1]=3 10 B9R1.8 CNCC1=CC=CC=C1 19910 [0,0,0,0,0,0|2,0,0]=2 11 B9R1.8 CNCC1=CC=CC=C1 25218 [0,0,0,0,0,0|2,0,0]=2 12 B9R1.8 CNCC1=CC=CC=C1 5801 [0,0,0,0,0,0|2,0,0]=2 13 B9R1.8 COCC1=CC=CC=C1 15300 [0,0,0,0,0,0|2,0,0]=2 14 B9R1.8 ClCCC1=CC=CC=C1 26674 [0,0,0,0,0,0|1,0,1]=2 15 B9R1.8 ClCCC1=CC=CN=C1 23929 [0,0,0,0,0,0|2,0,1]=3 16 B9R1.8 ClCSC1=CC=CC=C1 10735 [0,0,0,0,0,0|2,0,1]=3 17 B9R1.8 N#CCC1=NC=CC=C1 9302 [0,0,0,0,0,0|2,0,1]=3 18 B9R1.8 NCCC1=CC=CN=C1 13196 [0,0,0,0,0,0|2,0,1]=3 19 B9R1.8 NCCC1=CC=CN=C1 14084 [0,0,0,0,0,0|2,0,1]=3 20 B9R1.8 NCCC1=CC=NC=C1 13447 [0,0,0,0,0,0|2,0,1]=3 21 B9R1.8 NCCC1=NC=CC=C1 2592 [0,0,0,0,0,0|2,0,1]=3 22 B9R1.8 NCCc1ccccc1 21077 [0,0,0,0,0,0|1,0,1]=2 23 B9R1.8 NNCC1=CC=CC=C1 29056 [0,0,0,0,0,0|2,0,0]=2 24 B9R1.8 NOCC1=CC=CC=C1 24804 [0,0,0,0,0,0|2,0,0]=2 25 B9R1.8 NOCC1=CC=CC=C1 7095 [0,0,0,0,0,0|2,0,0]=2 26 B9R1.8 O=C=NC1=CC=CN=C1 14441 [0,0,0,0,0,0|2,0,1]=3 27 B9R1.8 OCCC1=NC=CC=C1 2593 [0,0,0,0,0,0|1,0,2]=3 28 B9R1.8 ONCC1=CC=CC=C1 25520 [0,0,0,0,0,0|1,0,1]=2 29 B9R1.8 S=C=NC1=CC=CC=C1 18702 [0,0,0,0,0,0|1,1,1]=3 30 B9R1.8 SCCC1=CC=CN=C1 25052 [0,0,0,0,0,0|1,1,1]=3 31 B9R1.8 SCCC1=NC=CC=C1 25015 [0,0,0,0,0,0|1,1,1]=3 32 B8R1.2 BrCC1=CC=CC=C1 13143 [1,0,0,0,0,0|1,0,0]=2 33 B8R1.2 BrCC1=CC=CN=C1 17664 [1,0,0,0,0,0|2,0,0]=3 34 B8R1.2 BrCC1=NC=NC=C1 23940 [1,0,0,0,0,0|3,0,0]=4 35 B8R1.2 C#CC1=CC=CC=C1 15340 [1,0,0,0,0,0|0,0,2]=3 36 B8R1.2 C#CC1=CC=CN=C1 16106 [1,0,0,0,0,0|1,0,2]=4 37 B8R1.2 C#CC1=CC=NC=C1 19527 [1,0,0,0,0,0|1,0,2]=4 38 B8R1.2 C=CC1=NC=CC=C1 23910 [1,0,0,0,0,0|1,0,1]=3 39 B8R1.2 CCC1=NC=NC=C1 23618 [1,0,0,0,0,0|2,0,1]=4 40 B8R1.2 CNC1=CC=CN=C1 14983 [1,0,0,0,0,0|2,0,1]=4 41 B8R1.2 CNC1=CC=NC=C1 12915 [1,0,0,0,0,0|2,0,1]=4 42 B8R1.2 COC1=CC=CC=C1 12830 [1,0,0,0,0,0|1,0,1]=3 43 B8R1.2 COC1=CC=CC=C1 17272 [1,0,0,0,0,0|1,0,1]=3 44 B8R1.2 COC1=CC=CN=C1 15370 [1,0,0,0,0,0|2,0,1]=4 45 B8R1.2 COC1=CC=NC=C1 2585 [1,0,0,0,0,0|2,0,1]=4 46 B8R1.2 COC1=NC=CC=C1 13201 [1,0,0,0,0,0|2,0,1]=4 47 B8R1.2 CSC1=CC=CC=C1 10578 [1,0,0,0,0,0|1,0,1]=3 48 B8R1.2 CSC1=NC=CC=C1 35938 [1,0,0,0,0,0|2,0,1]=4 49 B8R1.2 ClCC1=CC=CN=C1 9217 [1,0,0,0,0,0|2,0,0]=3 50 B8R1.2 ClCC1=CC=NC=C1 15905 [1,0,0,0,0,0|2,0,0]=3 51 B8R1.2 ClCC1=NC=CC=C1 16732 [1,0,0,0,0,0|2,0,0]=3 52 B8R1.2 ClCC1=NC=CC=C1 36036 [1,0,0,0,0,0|2,0,0]=3 53 B8R1.2 ClCC1=NC=CC=N1 21458 [1,0,0,0,0,0|3,0,0]=4 54 B8R1.2 ClCC1=NC=CC=N1 24800 [1,0,0,0,0,0|3,0,0]=4 55 B8R1.2 ClCC1=NC=CN=C1 32160 [1,0,0,0,0,0|3,0,0]=4 56 B8R1.2 N#CC1=CC=CN=C1 11233 [1,0,0,0,0,0|2,0,1]=4 57 B8R1.2 N#CC1=CC=NC=C1 11155 [1,0,0,0,0,0|2,0,1]=4 58 B8R1.2 N#CC1=NC=CC=C1 6007 [1,0,0,0,0,0|2,0,1]=4 59 B8R1.2 N#Cc1ccccc1 25507 [1,0,0,0,0,0|1,0,1]=3 60 B8R1.2 NCC1=CC=CC=C1 25530 [1,0,0,0,0,0|1,0,0]=2 61 B8R1.2 NCC1=CC=CN=C1 11140 [1,0,0,0,0,0|2,0,0]=3 62 B8R1.2 NCC1=CC=NC=C1 12407 [1,0,0,0,0,0|2,0,0]=3 63 B8R1.2 NCC1=NC=CC=C1 11142 [1,0,0,0,0,0|2,0,0]=3 64 B8R1.2 NCC1=NC=CC=N1 26329 [1,0,0,0,0,0|3,0,0]=4 65 B8R1.2 NCC1=NC=CN=C1 17822 [1,0,0,0,0,0|3,0,0]=4 66 B8R1.2 NNC1=CC=CC=C1 22925 [1,0,0,0,0,0|2,0,0]=3 67 B8R1.2 NNC1=CC=NC=C1 16313 [1,0,0,0,0,0|3,0,0]=4 68 B8R1.2 NNC1=NC=CC=C1 22630 [1,0,0,0,0,0|3,0,0]=4 69 B8R1.2 O=CC1=CC=CN=C1 1124 [1,0,0,0,0,0|1,0,0]=2 70 B8R1.2 O=CC1=CC=CN=N1 23311 [1,0,0,0,0,0|2,0,0]=3 71 B8R1.2 O=CC1=CC=NC=C1 11745 [1,0,0,0,0,0|1,0,0]=2 72 B8R1.2 O=CC1=CN=CN=C1 5298 [1,0,0,0,0,0|2,0,0]=3 73 B8R1.2 O=CC1=NC=CC=C1 11741 [1,0,0,0,0,0|1,0,0]=2 74 B8R1.2 O=CC1=NC=CC=N1 23190 [1,0,0,0,0,0|2,0,0]=3 75 B8R1.2 O=CC1=NC=CN=C1 32140 [1,0,0,0,0,0|2,0,0]=3 76 B8R1.2 OCC1=CC=CN=C1 11736 [1,0,0,0,0,0|1,0,1]=3 77 B8R1.2 OCC1=CC=NC=C1 11738 [1,0,0,0,0,0|1,0,1]=3 78 B8R1.2 OCC1=CN=CN=C1 9758 [1,0,0,0,0,0|2,0,1]=4 79 B8R1.2 OCC1=NC=CC=C1 9301 [1,0,0,0,0,0|1,0,1]=3 80 B8R1.2 OCC1=NC=CC=N1 9757 [1,0,0,0,0,0|2,0,1]=4 81 B8R1.2 OCC1=NC=CN=C1 32128 [1,0,0,0,0,0|2,0,1]=4 82 B8R1.2 OCC1=NC=NC=C1 9756 [1,0,0,0,0,0|2,0,1]=4 83 B8R1.2 SCC1=CC=CC=C1 6835 [1,0,0,0,0,0|0,1,0]=2 84 B8R1.2 SCC1=CC=CN=C1 25049 [1,0,0,0,0,0|1,1,0]=3 85 B8R1.2 SCC1=CC=NC=C1 25053 [1,0,0,0,0,0|1,1,0]=3 86 B8R1.2 SCC1=NC=CC=C1 25013 [1,0,0,0,0,0|1,1,0]=3 87 B8R1.2 SCC1=NC=CN=C1 32116 [1,0,0,0,0,0|2,1,0]=4 88 B10R1.1 BrCCC1=CC=C(Br)C=C1 16698 [0,1,0,0,0,0|1,0,1]=3 89 B10R1.1 CC1=CC=C(CC#N)C=C1 28873 [0,1,0,0,0,0|1,0,1]=3 90 B10R1.1 CCCC1=CC=C(Br)C=C1 10762 [0,1,0,0,0,0|1,0,1]=3 91 B10R1.1 CCCC1=CC=C(N)C=N1 26082 [0,1,0,0,0,0|2,0,1]=4 92 B10R1.1 CCOC1=CC=C(Br)C=C1 3138 [0,1,0,0,0,0|2,0,1]=4 93 B10R1.1 CCOC1=CC=C(C)C=C1 3181 [0,1,0,0,0,0|2,0,1]=4 94 B10R1.1 CCOC1=CC=C(Cl)C=C1 3165 [0,1,0,0,0,0|2,0,1]=4 95 B10R1.1 CCOC1=CC=C(F)C=C1 3175 [0,1,0,0,0,0|2,0,1]=4 96 B10R1.1 CCOC1=CC=C(I)C=C1 3177 [0,1,0,0,0,0|2,0,1]=4 97 B10R1.1 CCOC1=CC=C(N)C=C1 9511 [0,1,0,0,0,0|2,0,1]=4 98 B10R1.1 CCOC1=CC=C(O)C=C1 9512 [0,1,0,0,0,0|2,0,1]=4 99 B10R1.1 CNCC1=CC=C(C)C=C1 10497 [0,1,0,0,0,0|2,0,0]=3 100 B10R1.1 CNCC1=CC=C(F)C=C1 31250 [0,1,0,0,0,0|2,0,0]=3 101 B10R1.1 ClC1=CC=C(CCBr)C=C1 28821 [0,1,0,0,0,0|1,0,1]=3 102 B10R1.1 ClCCC1=CC=C(Cl)C=C1 28820 [0,1,0,0,0,0|1,0,1]=3 103 B10R1.1 FC1=CC=C(CCBr)C=C1 25674 [0,1,0,0,0,0|1,0,1]=3 104 B10R1.1 FC1=CC=C(CCBr)C=C1 28825 [0,1,0,0,0,0|1,0,1]=3 105 B10R1.1 FC1=CC=C(N=C=S)C=C1 5008 [0,1,0,0,0,0|1,1,1]=4 106 B10R1.1 N#CCC1=CC=C(Br)C=C1 4242 [0,1,0,0,0,0|1,0,1]=3 107 B10R1.1 N#CCC1=CC=C(Cl)C=C1 16502 [0,1,0,0,0,0|1,0,1]=3 108 B10R1.1 N#CCC1=CC=C(F)C=C1 4169 [0,1,0,0,0,0|1,0,1]=3 109 B10R1.1 N#CCC1=CC=C(I)C=C1 19992 [0,1,0,0,0,0|1,0,1]=3 110 B10R1.1 N#CCC1=CC=C(N)C=C1 4233 [0,1,0,0,0,0|1,0,1]=3 111 B10R1.1 N#CCC1=CC=C(O)C=C1 18614 [0,1,0,0,0,0|1,0,1]=3 112 B10R1.1 N#CCC1=CN=C(Cl)C=C1 2353 [0,1,0,0,0,0|2,0,1]=4 113 B10R1.1 N#CCC1=NC=C(Br)C=C1 31886 [0,1,0,0,0,0|2,0,1]=4 114 B10R1.1 NC1=CC=C(CCO)C=C1 4580 [0,1,0,0,0,0|0,0,2]=3 115 B10R1.1 NCCC1=CC=C(Br)C=C1 27051 [0,1,0,0,0,0|1,0,1]=3 116 B10R1.1 NCCC1=CC=C(Cl)C=C1 36132 [0,1,0,0,0,0|1,0,1]=3 117 B10R1.1 NCCC1=CC=C(F)C=C1 16712 [0,1,0,0,0,0|1,0,1]=3 118 B10R1.1 NCCC1=CC=C(F)C=C1 29725 [0,1,0,0,0,0|1,0,1]=3 119 B10R1.1 NCCC1=CC=C(N)C=C1 19815 [0,1,0,0,0,0|1,0,1]=3 120 B10R1.1 NCCC1=CC=C(N)C=C1 25418 [0,1,0,0,0,0|1,0,1]=3 121 B10R1.1 NCCC1=CC=C(O)C=C1 16668 [0,1,0,0,0,0|1,0,1]=3 122 B10R1.1 O=C=NC1=CC=C(Br)C=C1 23279 [0,1,0,0,0,0|1,0,1]=3 123 B10R1.1 O=C=NC1=CC=C(F)C=C1 4996 [0,1,0,0,0,0|1,0,1]=3 124 B10R1.1 O=CCC1=CC=C(Cl)C=C1 26501 [0,1,0,0,0,0|0,0,0]=1 125 B10R1.1 OC1=CC=C(CCBr)C=C1 2349 [0,1,0,0,0,0|1,0,1]=3 126 B10R1.1 OCCC1=CC=C(Cl)C=C1 3093 [0,1,0,0,0,0|0,0,2]=3 127 B10R1.1 OCCC1=CC=C(F)C=C1 4585 [0,1,0,0,0,0|0,0,2]=3 128 B10R1.1 OCCC1=CC=C(O)C=C1 9418 [0,1,0,0,0,0|0,0,2]=3 129 B10R1.1 O\N=C\C1=CC=C(F)C=C1 24097 [0,1,0,0,0,0|1,0,2]=4 130 B10R1.1 O\N=C\C1=CC=C(F)C=C1 3479 [0,1,0,0,0,0|1,0,2]=4 131 B10R1.1 S=C=NC1=CC=C(Cl)C=C1 16481 [0,1,0,0,0,0|1,1,1]=4 132 B10R1.4 BrCCC1=C(Br)C=CC=C1 16179 [0,1,0,0,0,0|1,0,1]=3 133 B10R1.4 CC1=C(CC#N)C=CC=C1 32359 [0,1,0,0,0,0|1,0,1]=3 134 B10R1.4 CC1=C(N=C=S)C=CC=C1 10740 [0,1,0,0,0,0|1,1,1]=4 135 B10R1.4 CCCC1=C(N)C=CC=C1 13695 [0,1,0,0,0,0|1,0,1]=3 136 B10R1.4 CCOC1=C(Br)C=CC=C1 3136 [0,1,0,0,0,0|2,0,1]=4 137 B10R1.4 CCOC1=C(C)C=CC=C1 3179 [0,1,0,0,0,0|2,0,1]=4 138 B10R1.4 CCOC1=C(Cl)C=CC=C1 3158 [0,1,0,0,0,0|2,0,1]=4 139 B10R1.4 CCOC1=C(F)C=CC=C1 3173 [0,1,0,0,0,0|2,0,1]=4 140 B10R1.4 CCOC1=C(O)C=CC=C1 9505 [0,1,0,0,0,0|2,0,1]=4 141 B10R1.4 CCOC1=C(S)C=CC=C1 10527 [0,1,0,0,0,0|2,0,1]=4 142 B10R1.4 CCSC1=C(Br)C=CC=C1 10531 [0,1,0,0,0,0|2,0,1]=4 143 B10R1.4 COCC1=C(Br)C=CC=C1 34659 [0,1,0,0,0,0|2,0,0]=3 144 B10R1.4 ClC1=C(CCBr)C=CC=C1 31587 [0,1,0,0,0,0|1,0,1]=3 145 B10R1.4 FC1=C(N=C=S)C=CC=C1 5002 [0,1,0,0,0,0|1,1,1]=4 146 B10R1.4 N#CCC1=C(Br)C=CC=C1 12554 [0,1,0,0,0,0|1,0,1]=3 147 B10R1.4 N#CCC1=C(Cl)C=CC=C1 16503 [0,1,0,0,0,0|1,0,1]=3 148 B10R1.4 N#CCC1=C(F)C=CC=C1 2611 [0,1,0,0,0,0|1,0,1]=3 149 B10R1.4 N#CCC1=C(N)C=CC=C1 24591 [0,1,0,0,0,0|1,0,1]=3 150 B10R1.4 NC1=C(CCO)C=CC=C1 12462 [0,1,0,0,0,0|0,0,2]=3 151 B10R1.4 NCCC1=C(Br)C=CC=C1 22238 [0,1,0,0,0,0|1,0,1]=3 152 B10R1.4 NCCC1=C(F)C=CC=C1 27340 [0,1,0,0,0,0|1,0,1]=3 153 B10R1.4 NCCC1=C(O)C=CC=C1 16394 [0,1,0,0,0,0|1,0,1]=3 154 B10R1.4 NNCC1=C(F)C=CC=C1 35094 [0,1,0,0,0,0|2,0,0]=3 155 B10R1.4 NNCc1ccccc1F 34909 [0,1,0,0,0,0|2,0,0]=3 156 B10R1.4 N\N=C\C1=CC=CC=C1O 22926 [0,1,0,0,0,0|2,0,1]=4 157 B10R1.4 Nc1ccccc1CCO 22282 [0,1,0,0,0,0|0,0,2]=3 158 B10R1.4 O=C=NC1=C(F)C=CC=C1 4455 [0,1,0,0,0,0|1,0,1]=3 159 B10R1.4 OCCC1=C(Br)C=CC=C1 16178 [0,1,0,0,0,0|0,0,2]=3 160 B10R1.4 OCCC1=C(O)C=CC=C1 31971 [0,1,0,0,0,0|0,0,2]=3 161 B10R1.4 O\N=C\C1=C(Br)C=CC=C1 3731 [0,1,0,0,0,0|1,0,2]=4 162 B10R1.4 O\N=C\C1=C(F)C=CC=C1 28431 [0,1,0,0,0,0|1,0,2]=4 163 B10R1.4 S=C=NC1=C(Br)C=CC=C1 35890 [0,1,0,0,0,0|1,1,1]=4 164 B10R1.4 S=C=NC1=C(I)C=CC=C1 35920 [0,1,0,0,0,0|1,1,1]=4 165 B10R1.10 CC1=CC=CC(CCO)=N1 25853 [0,1,0,0,0,0|1,0,2]=4 166 B10R1.10 CCOC1=CC(Br)=CC=C1 3137 [0,1,0,0,0,0|2,0,1]=4 167 B10R1.10 CCOC1=CC(C)=CC=C1 3180 [0,1,0,0,0,0|2,0,1]=4 168 B10R1.10 CCOC1=CC(Cl)=CC=C1 3162 [0,1,0,0,0,0|2,0,1]=4 169 B10R1.10 CCOC1=CC(F)=CC=C1 3174 [0,1,0,0,0,0|2,0,1]=4 170 B10R1.10 CCOC1=CC(I)=CC=C1 3241 [0,1,0,0,0,0|2,0,1]=4 171 B10R1.10 CCOC1=CC(N)=CC=C1 9507 [0,1,0,0,0,0|2,0,1]=4 172 B10R1.10 CCOC1=CC=CC(O)=C1 9510 [0,1,0,0,0,0|2,0,1]=4 173 B10R1.10 CCOC1=CC=CC(S)=C1 6826 [0,1,0,0,0,0|2,0,1]=4 174 B10R1.10 CNCC1=CC(Br)=CC=C1 23425 [0,1,0,0,0,0|2,0,0]=3 175 B10R1.10 COCC1=CC=CC(F)=C1 24279 [0,1,0,0,0,0|2,0,0]=3 176 B10R1.10 COCC1=CN=CC(Br)=C1 22088 [0,1,0,0,0,0|3,0,0]=4 177 B10R1.10 FC1=CC=CC(CCBr)=C1 4671 [0,1,0,0,0,0|1,0,1]=3 178 B10R1.10 FC1=CC=CC(N=C=S)=C1 5007 [0,1,0,0,0,0|1,1,1]=4 179 B10R1.10 N#CCC1=CC(Br)=CC=C1 4240 [0,1,0,0,0,0|1,0,1]=3 180 B10R1.10 N#CCC1=CC(Cl)=CC=C1 16504 [0,1,0,0,0,0|1,0,1]=3 181 B10R1.10 N#CCC1=CC(F)=CC=C1 4168 [0,1,0,0,0,0|1,0,1]=3 182 B10R1.10 N#CCC1=CC(I)=CC=C1 12771 [0,1,0,0,0,0|1,0,1]=3 183 B10R1.10 N#CCC1=CC(N)=CC=C1 1960 [0,1,0,0,0,0|1,0,1]=3 184 B10R1.10 NC1=CC=CC(CCO)=C1 27351 [0,1,0,0,0,0|0,0,2]=3 185 B10R1.10 NCCC1=CC(Br)=CC=C1 17194 [0,1,0,0,0,0|1,0,1]=3 186 B10R1.10 NCCC1=CC(Br)=CC=C1 23432 [0,1,0,0,0,0|1,0,1]=3 187 B10R1.10 NCCC1=CC(F)=CC=C1 13958 [0,1,0,0,0,0|1,0,1]=3 188 B10R1.10 NCCC1=CC(N)=CC=C1 5799 [0,1,0,0,0,0|1,0,1]=3 189 B10R1.10 NCCC1=CC(O)=CC=C1 21937 [0,1,0,0,0,0|1,0,1]=3 190 B10R1.10 NCCC1=CC=CC(N)=C1 11375 [0,1,0,0,0,0|1,0,1]=3 191 B10R1.10 NNCC1=CC(O)=CC=C1 14770 [0,1,0,0,0,0|2,0,0]=3 192 B10R1.10 O=C=NC1=CC(F)=CC=C1 4995 [0,1,0,0,0,0|1,0,1]=3 193 B10R1.10 OC1=CC(\C=C\Br)=CC=C1 31891 [0,1,0,0,0,0|1,0,1]=3 194 B10R1.10 OCCC1=CC(Br)=CC=C1 14821 [0,1,0,0,0,0|0,0,2]=3 195 B10R1.10 OCCC1=CC(F)=CC=C1 28824 [0,1,0,0,0,0|0,0,2]=3 196 B10R1.10 O\N=C\C1=CC(Br)=CC=C1 3732 [0,1,0,0,0,0|1,0,2]=4 197 B10R1.15 BrCC(Br)C1=CC=CC=C1 13572 [0,1,0,0,0,0|1,0,1]=3 198 B10R1.15 C=CC(=O)C1=CC=CC=C1 19662 [0,1,0,0,0,0|1,0,1]=3 199 B10R1.15 C=CS(=O)C1=CC=CC=C1 15339 [0,1,0,0,0,0|2,0,0]=3 200 B10R1.15 CC(C#N)C1=CC=CC=C1 12511 [0,1,0,0,0,0|1,0,1]=3 201 B10R1.15 CC(CBr)C1=CC=CC=C1 3829 [0,1,0,0,0,0|1,0,1]=3 202 B10R1.15 CC(CN)C1=CC=CC=C1 16143 [0,1,0,0,0,0|1,0,1]=3 203 B10R1.15 CCC(C)C1=CC=CC=C1 28439 [0,1,0,0,0,0|1,0,1]=3 204 B10R1.15 CCC(N)C1=CC=CC=C1 21078 [0,1,0,0,0,0|1,0,1]=3 205 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 5668 [0,1,0,0,0,0|1,0,1]=3 206 B10R1.15 CNC(=O)C1=CC=CC=C1 35135 [0,1,0,0,0,0|2,0,1]=4 207 B10R1.15 CN[C@@H](C)C1=CC=CC=C1 18717 [0,1,0,0,0,0|2,0,0]=3 208 B10R1.15 C[C@H](CN)C1=CC=CC=C1 21084 [0,1,0,0,0,0|1,0,1]=3 209 B10R1.15 N#CC(N)c1ccccc1 28208 [0,1,0,0,0,0|1,0,1]=3 210 B10R1.15 NC(CO)C1=NC=CC=C1 18774 [0,1,0,0,0,0|1,0,2]=4 211 B10R1.15 NCC(=O)C1=CC=CC=C1 10002 [0,1,0,0,0,0|1,0,2]=4 212 B10R1.15 NCC(=O)C1=CC=CC=C1 21792 [0,1,0,0,0,0|1,0,2]=4 213 B10R1.15 NCC(=O)C1=CC=CC=C1 3247 [0,1,0,0,0,0|1,0,2]=4 214 B10R1.15 NCC(O)C1=CC=CC=C1 44911 [0,1,0,0,0,0|1,0,1]=3 215 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 13836 [0,1,0,0,0,0|1,0,1]=3 216 B10R1.15 NC[C@H](O)C1=CC=CC=C1 14747 [0,1,0,0,0,0|1,0,1]=3 217 B10R1.15 NNC(=O)c1ccccc1 21535 [0,1,0,0,0,0|2,0,1]=4 218 B10R1.15 N[C@@H](CO)c1ccccc1 6081 [0,1,0,0,0,0|0,0,2]=3 219 B10R1.15 N[C@H](CO)c1ccccc1 6080 [0,1,0,0,0,0|0,0,2]=3 220 B10R1.15 N\C(=N/O)C1=CC=CC=C1 12481 [0,1,0,0,0,0|1,0,2]=4 221 B10R1.15 O=C(CBr)C1=CC=CC=C1 3257 [0,1,0,0,0,0|1,0,2]=4 222 B10R1.15 O=C(CCl)C1=CC=CC=C1 29268 [0,1,0,0,0,0|1,0,2]=4 223 B10R1.15 O=C(CF)C1=CC=CC=C1 3472 [0,1,0,0,0,0|1,0,2]=4 224 B10R1.15 O=C(CO)C1=CC=CC=C1 23011 [0,1,0,0,0,0|0,0,3]=4 225 B10R1.15 OC[C@@H](O)c1ccccc1 7148 [0,1,0,0,0,0|0,0,2]=3 226 B10R1.15 OC[C@H](O)c1ccccc1 7146 [0,1,0,0,0,0|0,0,2]=3 227 B10R1.15 O[C@H](CCl)C1=CC=CC=C1 15578 [0,1,0,0,0,0|1,0,1]=3 228 B10R1.17 BrCCCC1=CC=CC=C1 3832 [0,1,0,0,0,0|1,0,1]=3 229 B10R1.17 BrCCOC1=CC=CC=C1 3152 [0,1,0,0,0,0|1,0,1]=3 230 B10R1.17 C#CCSC1=CC=CC=C1 15323 [0,1,0,0,0,0|1,0,1]=3 231 B10R1.17 C=CCOC1=CC=CC=C1 29359 [0,1,0,0,0,0|1,0,0]=2 232 B10R1.17 C=COCC1=CC=CC=C1 36172 [0,1,0,0,0,0|1,0,0]=2 233 B10R1.17 CCCCC1=CC=CC=C1 13571 [0,1,0,0,0,0|1,0,1]=3 234 B10R1.17 CCNCC1=NC=CC=C1 23918 [0,1,0,0,0,0|2,0,1]=4 235 B10R1.17 CNCCC1=CC=NC=C1 14195 [0,1,0,0,0,0|2,0,1]=4 236 B10R1.17 ClCC#CC1=CC=CC=C1 13578 [0,1,0,0,0,0|1,0,2]=4 237 B10R1.17 ClCCOC1=CC=CC=C1 3167 [0,1,0,0,0,0|1,0,1]=3 238 B10R1.17 ClCCSC1=CC=CC=C1 36163 [0,1,0,0,0,0|1,0,1]=3 239 B10R1.17 ClCOCC1=CC=CC=C1 7566 [0,1,0,0,0,0|1,0,1]=3 240 B10R1.17 N#C\C=C\C1=CC=CC=C1 20433 [0,1,0,0,0,0|1,0,1]=3 241 B10R1.17 NCCCC1=CC=CN=C1 23791 [0,1,0,0,0,0|2,0,1]=4 242 B10R1.17 NCCOC1=CC=CC=C1 14773 [0,1,0,0,0,0|1,0,1]=3 243 B10R1.17 NCCOC1=CC=CC=C1 15299 [0,1,0,0,0,0|1,0,1]=3 244 B10R1.17 NNCCC1=CC=CC=C1 16246 [0,1,0,0,0,0|1,0,1]=3 245 B10R1.17 NNCOC1=CC=CN=C1 16450 [0,1,0,0,0,0|3,0,0]=4 246 B10R1.17 O=C\C=C\C1=CC=CC=C1 24958 [0,1,0,0,0,0|0,0,1]=2 247 B10R1.17 OCC#CC1=CC=CC=C1 13580 [0,1,0,0,0,0|0,0,3]=4 248 B10R1.17 OCCCC1=CC=CC=C1 15023 [0,1,0,0,0,0|0,0,2]=3 249 B10R1.17 OCCCC1=CC=CN=C1 13083 [0,1,0,0,0,0|1,0,2]=4 250 B10R1.17 OCCCC1=CC=NC=C1 13084 [0,1,0,0,0,0|1,0,2]=4 251 B10R1.17 OCCCC1=NC=CC=C1 13082 [0,1,0,0,0,0|1,0,2]=4 252 B10R1.17 OCCSC1=CC=CC=C1 10784 [0,1,0,0,0,0|0,0,2]=3 253 B10R1.17 S=C=NCC1=CC=CC=C1 14549 [0,1,0,0,0,0|0,1,1]=3 254 B10R1.17 [N-]=[N+]=NCC1=CC=CC=C1 25447 [0,1,0,0,0,0|2,0,0]=3 255 B10R1.18 CC(=O)CC1=CC=NC=C1 21323 [0,1,0,0,0,0|1,0,0]=2 256 B10R1.18 CC(=O)CC1=NC=CC=C1 32233 [0,1,0,0,0,0|1,0,0]=2 257 B10R1.18 CC(=O)NC1=CN=CN=C1 25070 [0,1,0,0,0,0|3,0,0]=4 258 B10R1.18 CC(=O)SC1=CC=CC=C1 15324 [0,1,0,0,0,0|1,0,0]=2 259 B10R1.18 CC(C)OC1=CC=CC=C1 13188 [0,1,0,0,0,0|2,0,1]=4 260 B10R1.18 CC(O)CC1=CC=CC=C1 36130 [0,1,0,0,0,0|0,0,2]=3 261 B10R1.18 NC(=S)NC1=CC=CC=C1 35672 [0,1,0,0,0,0|1,1,0]=3 262 B10R1.18 O=C(Cl)CC1=CC=CC=C1 35236 [0,1,0,0,0,0|0,0,0]=1 263 B10R1.18 O=C(O)CC1=CC=CN=C1 13998 [0,1,0,0,0,0|1,0,0]=2 264 B10R1.18 O=C(O)CC1=CC=NC=C1 14000 [0,1,0,0,0,0|1,0,0]=2 265 B10R1.18 O=C(O)CC1=CN=CN=C1 13279 [0,1,0,0,0,0|2,0,0]=3 266 B10R1.18 O=C(O)CC1=NC=CC=C1 14404 [0,1,0,0,0,0|1,0,0]=2 267 B10R1.18 O=C([O-])CC1=CC=CC=C1 20019 [0,1,0,0,0,0|0,0,0]=1 268 B10R1.18 O=C([O-])CC1=NC=CC=N1 13283 [0,1,0,0,0,0|2,0,0]=3 269 B10R1.18 O=[N+]([O-])CC1=CC=CC=C1 16807 [0,1,0,0,0,0|1,0,0]=2 270 B10R1.18 OB(O)CC1=CC=CC=C1 5320 [0,1,0,0,0,0|1,0,1]=3 271 B10R1.18 OC(=S)CC1=CC=CC=C1 10786 [0,1,0,0,0,0|0,0,1]=2 272 B10R2.6 C1=CC=C(C2CC2)C=C1 19698 [0,0,0,1,0,0|1,0,1]=3 273 B10R2.6 C1=CC=C([C@@H]2CO2)C=C1 5831 [0,0,0,1,0,0|0,0,2]=3 274 B10R2.6 C1=CC=C([C@H]2CO2)C=C1 5835 [0,0,0,1,0,0|0,0,2]=3 275 B10R2.7 B1OC2=C(C=CC=C2)O1 18191 [0,0,0,1,0,0|2,0,1]=4 276 B10R2.7 C1=CC2=C(C=C1)NC=N2 11074 [0,0,0,1,0,0|2,0,0]=3 277 B10R2.7 C1=CC2=C(C=C1)NN=N2 16004 [0,0,0,1,0,0|3,0,0]=4 278 B10R2.7 C1=CC2=C(C=C1)OC=C2 7003 [0,0,0,1,0,0|0,0,2]=3 279 B10R2.7 C1=CC2=C(C=C1)OC=N2 21884 [0,0,0,1,0,0|1,0,1]=3 280 B10R2.7 C1=CC2=C(C=C1)OCC2 6931 [0,0,0,1,0,0|0,0,2]=3 281 B10R2.7 C1=CC2=C(C=C1)OCO2 2537 [0,0,0,1,0,0|1,0,2]=4 282 B10R2.7 C1=CC2=C(C=C1)SC=C2 13545 [0,0,0,1,0,0|0,1,1]=3 283 B10R2.7 C1=CC2=C(C=CS2)C=N1 32513 [0,0,0,1,0,0|1,1,1]=4 284 B10R2.7 C1=CC2=C(C=N1)CNC2 17767 [0,0,0,1,0,0|3,0,0]=4 285 B10R2.7 C1=CC2=C(C=N1)CNC2 19108 [0,0,0,1,0,0|3,0,0]=4 286 B10R2.7 C1=CC2=C(N=C1)NC=N2 30310 [0,0,0,1,0,0|3,0,0]=4 287 B10R2.7 C1=CC2=CC=CN2C=C1 28088 [0,0,0,1,0,0|2,0,1]=4 288 B10R2.7 C1=CC2=CC=NC=C2N1 7678 [0,0,0,1,0,0|2,0,1]=4 289 B10R2.7 C1=CC2=CC=NC=C2S1 32508 [0,0,0,1,0,0|1,1,1]=4 290 B10R2.7 C1=CC2=CN=CC=C2N1 7676 [0,0,0,1,0,0|2,0,1]=4 291 B10R2.7 C1=CC2=NC=CN2C=C1 17181 [0,0,0,1,0,0|2,0,1]=4 292 B10R2.7 C1=CC2=NON=C2C=C1 22999 [0,0,0,1,0,0|3,0,0]=4 293 B10R2.7 C1=CC2=NSN=C2C=C1 15689 [0,0,0,1,0,0|3,0,0]=4 294 B10R2.7 C1=CC=C2CC=CC2=C1 20728 [0,0,0,1,0,0|1,0,0]=2 295 B10R2.7 C1=CC=C2CCCC2=C1 20379 [0,0,0,1,0,0|1,0,1]=3 296 B10R2.7 C1=CC=C2CNCC2=C1 16248 [0,0,0,1,0,0|2,0,0]=3 297 B10R2.7 C1=CC=C2CNCC2=C1 16512 [0,0,0,1,0,0|2,0,0]=3 298 B10R2.7 C1=CC=C2CNCC2=C1 33470 [0,0,0,1,0,0|2,0,0]=3 299 B10R2.7 C1=CC=C2NCCC2=C1 7502 [0,0,0,1,0,0|1,0,1]=3 300 B10R2.7 C1=CC=C2NN=CC2=C1 15665 [0,0,0,1,0,0|2,0,1]=4 301 B10R2.7 C1=CN=C2C=CNC2=C1 7675 [0,0,0,1,0,0|2,0,1]=4 302 B10R2.7 C1=CN=C2CCCC2=C1 15900 [0,0,0,1,0,0|2,0,1]=4 303 B10R2.7 C1=CN=C2CNCC2=C1 11371 [0,0,0,1,0,0|3,0,0]=4 304 B10R2.7 C1=CN=C2CNCC2=C1 18111 [0,0,0,1,0,0|3,0,0]=4 305 B10R2.7 C1=CN=C2NC=CC2=C1 7679 [0,0,0,1,0,0|2,0,1]=4 306 B10R2.7 C1=CN=C2NCCC2=C1 18022 [0,0,0,1,0,0|2,0,1]=4 307 B10R2.7 C1=CN=C2SC=CC2=C1 32500 [0,0,0,1,0,0|1,1,1]=4 308 B10R2.7 C1=NC=C2NCCC2=C1 18023 [0,0,0,1,0,0|2,0,1]=4 309 B10R2.320 BrC1CC2=CC=CC=C21 36330 [0,0,0,1,0,0|1,0,1]=3 310 B8R1.8 CNCC1=CC=CS1 22897 [0,0,0,0,1,0|3,0,0]=4 311 B8R1.8 Cl[Mg]CC1=CC=CO1 2072 [0,0,0,0,1,0|3,0,0]=4 312 B8R1.8 N#CCC1=CC=CS1 5590 [0,0,0,0,1,0|2,0,1]=4 313 B8R1.8 N#CCC1=CSC=C1 8862 [0,0,0,0,1,0|2,0,1]=4 314 B8R1.8 NCCC1=CC=CS1 5579 [0,0,0,0,1,0|2,0,1]=4 315 B8R1.8 NCCC1=CC=CS1 8859 [0,0,0,0,1,0|2,0,1]=4 316 B8R1.8 NCCC1=CSC=C1 14605 [0,0,0,0,1,0|2,0,1]=4 317 B8R1.8 NCCC1=CSC=C1 24381 [0,0,0,0,1,0|2,0,1]=4 318 B8R1.8 O=CCC1=CC=NO1 24239 [0,0,0,0,1,0|2,0,0]=3 319 B8R1.8 O=CCC1=NOC=C1 24240 [0,0,0,0,1,0|2,0,0]=3 320 B8R1.8 OCCC1=CC=CS1 5581 [0,0,0,0,1,0|1,0,2]=4 321 B8R1.8 OCCC1=CSC=C1 20415 [0,0,0,0,1,0|1,0,2]=4 322 B7R1.3 BrC1=CC=CN=C1 2571 [2,0,0,0,0,0|2,0,0]=4 323 B7R1.3 BrC1=CC=NC=C1 15950 [2,0,0,0,0,0|2,0,0]=4 324 B7R1.3 BrC1=CC=NC=C1 2589 [2,0,0,0,0,0|2,0,0]=4 325 B7R1.3 BrC1=NC=CC=C1 2570 [2,0,0,0,0,0|2,0,0]=4 326 B7R1.3 CC1=CC=CN=N1 17696 [2,0,0,0,0,0|2,0,0]=4 327 B7R1.3 CC1=CN=CN=C1 7207 [2,0,0,0,0,0|2,0,0]=4 328 B7R1.3 CC1=NC=CC=C1 15899 [2,0,0,0,0,0|1,0,0]=3 329 B7R1.3 CC1=NC=CC=N1 21974 [2,0,0,0,0,0|2,0,0]=4 330 B7R1.3 CC1=NC=CN=C1 8601 [2,0,0,0,0,0|2,0,0]=4 331 B7R1.3 CC1=NC=NC=C1 20803 [2,0,0,0,0,0|2,0,0]=4 332 B7R1.3 Cc1ccccn1 18185 [2,0,0,0,0,0|1,0,0]=3 333 B7R1.3 ClC1=CC=CN=C1 2576 [2,0,0,0,0,0|2,0,0]=4 334 B7R1.3 ClC1=CC=NC=C1 1195 [2,0,0,0,0,0|2,0,0]=4 335 B7R1.3 ClC1=CC=NC=C1 23503 [2,0,0,0,0,0|2,0,0]=4 336 B7R1.3 ClC1=NC=CC=C1 13200 [2,0,0,0,0,0|2,0,0]=4 337 B7R1.3 FC1=CC=CC=C1 29401 [2,0,0,0,0,0|1,0,0]=3 338 B7R1.3 FC1=CC=CN=C1 1095 [2,0,0,0,0,0|2,0,0]=4 339 B7R1.3 FC1=CC=NC=C1 14322 [2,0,0,0,0,0|2,0,0]=4 340 B7R1.3 FC1=CC=NC=C1 2616 [2,0,0,0,0,0|2,0,0]=4 341 B7R1.3 FC1=NC=CC=C1 1094 [2,0,0,0,0,0|2,0,0]=4 342 B7R1.3 IC1=CC=CC=C1 2143 [2,0,0,0,0,0|1,0,0]=3 343 B7R1.3 IC1=CC=CC=C1 3921 [2,0,0,0,0,0|1,0,0]=3 344 B7R1.3 IC1=CC=CN=C1 6634 [2,0,0,0,0,0|2,0,0]=4 345 B7R1.3 IC1=CC=NC=C1 2584 [2,0,0,0,0,0|2,0,0]=4 346 B7R1.3 IC1=NC=CC=C1 4074 [2,0,0,0,0,0|2,0,0]=4 347 B7R1.3 NC1=CC=CN=C1 2569 [2,0,0,0,0,0|2,0,0]=4 348 B7R1.3 NC1=CC=NC=C1 1281 [2,0,0,0,0,0|2,0,0]=4 349 B7R1.3 NC1=NC=CC=C1 10484 [2,0,0,0,0,0|2,0,0]=4 350 B7R1.3 O=C1C=CC=NN1 9528 [2,0,0,0,0,0|2,0,0]=4 351 B7R1.3 OC1=CC=CN=C1 2568 [2,0,0,0,0,0|1,0,1]=4 352 B7R1.3 OC1=CC=NC=C1 1116 [2,0,0,0,0,0|1,0,1]=4 353 B7R1.3 OC1=NC=CC=C1 2567 [2,0,0,0,0,0|1,0,1]=4 354 B7R1.3 PC1=CC=CC=C1 25514 [2,0,0,0,0,0|1,0,0]=3 355 B7R1.3 SC1=CC=CC=C1 5421 [2,0,0,0,0,0|0,1,0]=3 356 B7R1.3 SC1=CC=NC=C1 9746 [2,0,0,0,0,0|1,1,0]=4 357 B7R1.3 SC1=NC=CC=C1 10835 [2,0,0,0,0,0|1,1,0]=4 358 B7R1.3 SC1=NC=CC=C1 16329 [2,0,0,0,0,0|1,1,0]=4 359 B7R1.3 [Li]C1=CC=CC=C1 26659 [2,0,0,0,0,0|1,0,0]=3 360 B7R1.3 [O-][N+]1=CC=CC=C1 2586 [2,0,0,0,0,0|1,0,1]=4 361 B7R1.3 [S-]C1=CC=CC=C1 35336 [2,0,0,0,0,0|0,1,0]=3 362 B7R1.3 [SiH3]C1=CC=CC=C1 25896 [2,0,0,0,0,0|0,1,0]=3 363 B9R1.1 BrCC1=CC=C(Br)C=C1 7460 [1,1,0,0,0,0|1,0,0]=3 364 B9R1.1 BrCC1=CC=C(I)C=C1 3557 [1,1,0,0,0,0|1,0,0]=3 365 B9R1.1 C#CC1=CC=C(C)C=C1 10922 [1,1,0,0,0,0|0,0,2]=4 366 B9R1.1 C#CC1=CC=C(F)C=C1 16719 [1,1,0,0,0,0|0,0,2]=4 367 B9R1.1 C#CC1=CC=C(I)C=C1 34237 [1,1,0,0,0,0|0,0,2]=4 368 B9R1.1 C#CC1=CC=C(N)C=C1 26130 [1,1,0,0,0,0|0,0,2]=4 369 B9R1.1 C=CC1=CC=C(Cl)C=C1 12659 [1,1,0,0,0,0|0,0,1]=3 370 B9R1.1 C=CC1=CC=C(N)C=C1 12625 [1,1,0,0,0,0|0,0,1]=3 371 B9R1.1 C=CC1=CC=C(N)C=N1 26083 [1,1,0,0,0,0|1,0,1]=4 372 B9R1.1 C=CC1=CN=C(Br)C=C1 27635 [1,1,0,0,0,0|1,0,1]=4 373 B9R1.1 C=CC1=CN=C(C)C=C1 15153 [1,1,0,0,0,0|1,0,1]=4 374 B9R1.1 CC1=CC=C(C#N)C=C1 8168 [1,1,0,0,0,0|1,0,1]=4 375 B9R1.1 CC1=CC=C(C=O)C=C1 15497 [1,1,0,0,0,0|0,0,0]=2 376 B9R1.1 CC1=CC=C(CN)C=C1 10199 [1,1,0,0,0,0|1,0,0]=3 377 B9R1.1 CC1=CC=C(CO)C=N1 27403 [1,1,0,0,0,0|1,0,1]=4 378 B9R1.1 CC1=CC=C(NN)C=C1 4500 [1,1,0,0,0,0|2,0,0]=4 379 B9R1.1 CC1=CN=C(C=O)C=C1 17169 [1,1,0,0,0,0|1,0,0]=3 380 B9R1.1 CC1=CN=C(C=O)C=N1 32176 [1,1,0,0,0,0|2,0,0]=4 381 B9R1.1 CC1=NC=C(C=O)C=C1 19463 [1,1,0,0,0,0|1,0,0]=3 382 B9R1.1 CCC1=CC=C(Br)C=C1 3772 [1,1,0,0,0,0|0,0,1]=3 383 B9R1.1 CCC1=CC=C(C)C=C1 21843 [1,1,0,0,0,0|0,0,1]=3 384 B9R1.1 CCC1=CC=C(I)C=C1 3877 [1,1,0,0,0,0|0,0,1]=3 385 B9R1.1 CCC1=CC=C(N)C=C1 26342 [1,1,0,0,0,0|0,0,1]=3 386 B9R1.1 CCC1=CC=C(O)C=C1 3874 [1,1,0,0,0,0|0,0,1]=3 387 B9R1.1 CCC1=CC=C(S)C=C1 6813 [1,1,0,0,0,0|0,0,1]=3 388 B9R1.1 CCC1=CN=C(C)C=C1 10482 [1,1,0,0,0,0|1,0,1]=4 389 B9R1.1 CCC1=CN=C(C)C=C1 18256 [1,1,0,0,0,0|1,0,1]=4 390 B9R1.1 CCC1=NC=C(Br)C=C1 16886 [1,1,0,0,0,0|1,0,1]=4 391 B9R1.1 CCC1=NC=C(N)C=C1 25855 [1,1,0,0,0,0|1,0,1]=4 392 B9R1.1 CCc1ccc(F)cc1 22752 [1,1,0,0,0,0|0,0,1]=3 393 B9R1.1 CNC1=CC=C(Cl)C=C1 23344 [1,1,0,0,0,0|1,0,1]=4 394 B9R1.1 CNC1=CC=C(I)C=C1 28328 [1,1,0,0,0,0|1,0,1]=4 395 B9R1.1 COC1=CC=C(Br)C=C1 3726 [1,1,0,0,0,0|1,0,1]=4 396 B9R1.1 COC1=CC=C(Cl)C=C1 3616 [1,1,0,0,0,0|1,0,1]=4 397 B9R1.1 COC1=CC=C(F)C=C1 3475 [1,1,0,0,0,0|1,0,1]=4 398 B9R1.1 COC1=CC=C(I)C=C1 3911 [1,1,0,0,0,0|1,0,1]=4 399 B9R1.1 COC1=CC=C(N)C=C1 21392 [1,1,0,0,0,0|1,0,1]=4 400 B9R1.1 COC1=CC=C(N)C=C1 36098 [1,1,0,0,0,0|1,0,1]=4 401 B9R1.1 COC1=CC=C(O)C=C1 14584 [1,1,0,0,0,0|1,0,1]=4 402 B9R1.1 COC1=CC=C(O)C=C1 2276 [1,1,0,0,0,0|1,0,1]=4 403 B9R1.1 COC1=CC=C(S)C=C1 6822 [1,1,0,0,0,0|1,0,1]=4 404 B9R1.1 CSC1=CC=C(Br)C=C1 10650 [1,1,0,0,0,0|1,0,1]=4 405 B9R1.1 CSC1=CC=C(C)C=C1 10672 [1,1,0,0,0,0|1,0,1]=4 406 B9R1.1 CSC1=CC=C(Cl)C=C1 10645 [1,1,0,0,0,0|1,0,1]=4 407 B9R1.1 CSC1=CC=C(F)C=C1 10641 [1,1,0,0,0,0|1,0,1]=4 408 B9R1.1 CSC1=CC=C(I)C=C1 10670 [1,1,0,0,0,0|1,0,1]=4 409 B9R1.1 CSC1=CC=C(N)C=C1 10636 [1,1,0,0,0,0|1,0,1]=4 410 B9R1.1 CSC1=CC=C(O)C=C1 15277 [1,1,0,0,0,0|1,0,1]=4 411 B9R1.1 CSC1=CC=C(S)C=C1 6825 [1,1,0,0,0,0|1,0,1]=4 412 B9R1.1 ClC1=CC=C(CBr)C=C1 36109 [1,1,0,0,0,0|1,0,0]=3 413 B9R1.1 ClC1=CC=C([Mg]Br)C=C1 24069 [1,1,0,0,0,0|2,0,0]=4 414 B9R1.1 ClCC1=CC=C(Br)C=C1 2478 [1,1,0,0,0,0|1,0,0]=3 415 B9R1.1 ClCC1=CC=C(Cl)C=C1 5797 [1,1,0,0,0,0|1,0,0]=3 416 B9R1.1 ClCC1=CN=C(Cl)C=C1 9210 [1,1,0,0,0,0|2,0,0]=4 417 B9R1.1 ClCC1=NC=C(Cl)C=C1 24106 [1,1,0,0,0,0|2,0,0]=4 418 B9R1.1 FC1=CC=C(CBr)C=C1 7354 [1,1,0,0,0,0|1,0,0]=3 419 B9R1.1 FC1=CC=C(CCl)C=C1 8864 [1,1,0,0,0,0|1,0,0]=3 420 B9R1.1 FC1=CC=C(CS)C=C1 6855 [1,1,0,0,0,0|0,1,0]=3 421 B9R1.1 N#CC1=CC=C(Br)C=C1 3745 [1,1,0,0,0,0|1,0,1]=4 422 B9R1.1 N#CC1=CC=C(Cl)C=C1 20405 [1,1,0,0,0,0|1,0,1]=4 423 B9R1.1 N#CC1=CC=C(F)C=C1 1585 [1,1,0,0,0,0|1,0,1]=4 424 B9R1.1 N#CC1=CC=C(I)C=C1 3936 [1,1,0,0,0,0|1,0,1]=4 425 B9R1.1 N#CC1=CC=C(N)C=C1 15683 [1,1,0,0,0,0|1,0,1]=4 426 B9R1.1 NC1=CC=C(C=O)C=C1 7795 [1,1,0,0,0,0|0,0,0]=2 427 B9R1.1 NC1=CC=C(CBr)C=C1 26393 [1,1,0,0,0,0|1,0,0]=3 428 B9R1.1 NC1=CC=C(CO)C=C1 7480 [1,1,0,0,0,0|0,0,1]=3 429 B9R1.1 NC1=CC=C(CO)C=N1 18913 [1,1,0,0,0,0|1,0,1]=4 430 B9R1.1 NC1=NC=C(C=O)C=N1 27597 [1,1,0,0,0,0|2,0,0]=4 431 B9R1.1 NCC1=CC=C(Br)C=C1 23806 [1,1,0,0,0,0|1,0,0]=3 432 B9R1.1 NCC1=CC=C(Br)C=C1 3751 [1,1,0,0,0,0|1,0,0]=3 433 B9R1.1 NCC1=CC=C(Cl)C=C1 9028 [1,1,0,0,0,0|1,0,0]=3 434 B9R1.1 NCC1=CC=C(Cl)N=C1 24215 [1,1,0,0,0,0|2,0,0]=4 435 B9R1.1 NCC1=CC=C(F)C=C1 3408 [1,1,0,0,0,0|1,0,0]=3 436 B9R1.1 NCC1=CC=C(F)C=C1 4420 [1,1,0,0,0,0|1,0,0]=3 437 B9R1.1 NCC1=CC=C(I)C=C1 3304 [1,1,0,0,0,0|1,0,0]=3 438 B9R1.1 NCC1=CC=C(N)C=C1 5803 [1,1,0,0,0,0|1,0,0]=3 439 B9R1.1 NCC1=CC=C(O)C=C1 26036 [1,1,0,0,0,0|1,0,0]=3 440 B9R1.1 NCC1=CN=C(Cl)C=C1 1255 [1,1,0,0,0,0|2,0,0]=4 441 B9R1.1 NCC1=CN=C(Cl)C=C1 15212 [1,1,0,0,0,0|2,0,0]=4 442 B9R1.1 NCC1=CNC(=O)C=C1 19427 [1,1,0,0,0,0|2,0,0]=4 443 B9R1.1 NCC1=NC=C(Br)C=C1 29009 [1,1,0,0,0,0|2,0,0]=4 444 B9R1.1 NNC1=CC=C(Br)C=C1 21916 [1,1,0,0,0,0|2,0,0]=4 445 B9R1.1 NNC1=CC=C(Br)C=C1 6409 [1,1,0,0,0,0|2,0,0]=4 446 B9R1.1 NNC1=CC=C(Cl)C=C1 23899 [1,1,0,0,0,0|2,0,0]=4 447 B9R1.1 NNC1=CC=C(Cl)C=C1 4483 [1,1,0,0,0,0|2,0,0]=4 448 B9R1.1 NNC1=CC=C(F)C=C1 15913 [1,1,0,0,0,0|2,0,0]=4 449 B9R1.1 NNC1=CC=C(F)C=C1 3330 [1,1,0,0,0,0|2,0,0]=4 450 B9R1.1 NNC1=CC=C(I)C=C1 15797 [1,1,0,0,0,0|2,0,0]=4 451 B9R1.1 O=CC1=CC=C(Br)C=C1 8053 [1,1,0,0,0,0|0,0,0]=2 452 B9R1.1 O=CC1=CC=C(Cl)C=C1 8078 [1,1,0,0,0,0|0,0,0]=2 453 B9R1.1 O=CC1=CC=C(Cl)N=C1 23354 [1,1,0,0,0,0|1,0,0]=3 454 B9R1.1 O=CC1=CC=C(F)C=C1 3478 [1,1,0,0,0,0|0,0,0]=2 455 B9R1.1 O=CC1=CC=C(I)C=C1 5349 [1,1,0,0,0,0|0,0,0]=2 456 B9R1.1 O=CC1=CC=C(O)C=C1 10188 [1,1,0,0,0,0|0,0,0]=2 457 B9R1.1 O=CC1=CN=C(Br)C=C1 1181 [1,1,0,0,0,0|1,0,0]=3 458 B9R1.1 O=CC1=CN=C(Cl)C=C1 9221 [1,1,0,0,0,0|1,0,0]=3 459 B9R1.1 O=CC1=CN=C(Cl)N=C1 23896 [1,1,0,0,0,0|2,0,0]=4 460 B9R1.1 O=CC1=CN=C(F)C=C1 5150 [1,1,0,0,0,0|1,0,0]=3 461 B9R1.1 O=CC1=CN=C(O)C=C1 17127 [1,1,0,0,0,0|1,0,0]=3 462 B9R1.1 O=CC1=NC=C(Br)C=C1 5059 [1,1,0,0,0,0|1,0,0]=3 463 B9R1.1 O=CC1=NC=C(Cl)C=C1 17153 [1,1,0,0,0,0|1,0,0]=3 464 B9R1.1 O=CC1=NC=C(F)C=C1 5149 [1,1,0,0,0,0|1,0,0]=3 465 B9R1.1 O=CC1=NC=C(O)C=C1 33708 [1,1,0,0,0,0|1,0,0]=3 466 B9R1.1 OCC1=CC=C(Br)C=C1 3748 [1,1,0,0,0,0|0,0,1]=3 467 B9R1.1 OCC1=CC=C(Cl)C=C1 3627 [1,1,0,0,0,0|0,0,1]=3 468 B9R1.1 OCC1=CC=C(F)C=C1 3487 [1,1,0,0,0,0|0,0,1]=3 469 B9R1.1 OCC1=CC=C(F)N=C1 17062 [1,1,0,0,0,0|1,0,1]=4 470 B9R1.1 OCC1=CC=C(I)C=C1 4081 [1,1,0,0,0,0|0,0,1]=3 471 B9R1.1 OCC1=CC=C(O)C=C1 29320 [1,1,0,0,0,0|0,0,1]=3 472 B9R1.1 OCC1=CC=C(S)C=C1 6879 [1,1,0,0,0,0|0,0,1]=3 473 B9R1.1 OCC1=CN=C(Cl)C=C1 12920 [1,1,0,0,0,0|1,0,1]=4 474 B9R1.1 OCC1=NC=C(Br)C=C1 12387 [1,1,0,0,0,0|1,0,1]=4 475 B9R1.1 OCC1=NC=C(Br)C=C1 14780 [1,1,0,0,0,0|1,0,1]=4 476 B9R1.1 OCC1=NC=C(Br)C=C1 7710 [1,1,0,0,0,0|1,0,1]=4 477 B9R1.1 SCC1=CC=C(Br)C=C1 6868 [1,1,0,0,0,0|0,1,0]=3 478 B9R1.1 SCC1=CC=C(Cl)C=C1 6838 [1,1,0,0,0,0|0,1,0]=3 479 B9R1.2 BrCC1=CC(Br)=CC=C1 3029 [1,1,0,0,0,0|1,0,0]=3 480 B9R1.2 BrCC1=CC(I)=CC=C1 28805 [1,1,0,0,0,0|1,0,0]=3 481 B9R1.2 C#CC1=CC(F)=CC=C1 12891 [1,1,0,0,0,0|0,0,2]=4 482 B9R1.2 C#CC1=CC(N)=CC=C1 30297 [1,1,0,0,0,0|0,0,2]=4 483 B9R1.2 C#CC1=CC(N)=CC=C1 4052 [1,1,0,0,0,0|0,0,2]=4 484 B9R1.2 C#CC1=CC=CC(Br)=C1 19784 [1,1,0,0,0,0|0,0,2]=4 485 B9R1.2 C#CC1=CC=CC(Cl)=C1 14083 [1,1,0,0,0,0|0,0,2]=4 486 B9R1.2 C=CC1=CC(Br)=CC=C1 23859 [1,1,0,0,0,0|0,0,1]=3 487 B9R1.2 C=CC1=CC=CC(C)=N1 25969 [1,1,0,0,0,0|1,0,1]=4 488 B9R1.2 CC1=CC(C=O)=CC=C1 15513 [1,1,0,0,0,0|0,0,0]=2 489 B9R1.2 CC1=CC(C=O)=NC=C1 17166 [1,1,0,0,0,0|1,0,0]=3 490 B9R1.2 CC1=CC=CC(C=O)=N1 15904 [1,1,0,0,0,0|1,0,0]=3 491 B9R1.2 CC1=CC=CC(CBr)=N1 22577 [1,1,0,0,0,0|2,0,0]=4 492 B9R1.2 CC1=CC=CC(CCl)=N1 22531 [1,1,0,0,0,0|2,0,0]=4 493 B9R1.2 CC1=CC=CC(CCl)=N1 22536 [1,1,0,0,0,0|2,0,0]=4 494 B9R1.2 CC1=CC=CC(CF)=C1 28809 [1,1,0,0,0,0|1,0,0]=3 495 B9R1.2 CC1=CC=CC(CN)=C1 10198 [1,1,0,0,0,0|1,0,0]=3 496 B9R1.2 CC1=CC=CC(CN)=N1 19465 [1,1,0,0,0,0|2,0,0]=4 497 B9R1.2 CC1=CC=CC(CO)=N1 20959 [1,1,0,0,0,0|1,0,1]=4 498 B9R1.2 CC1=CC=CC(NN)=C1 6397 [1,1,0,0,0,0|2,0,0]=4 499 B9R1.2 CC1=CN=CC(CO)=C1 22640 [1,1,0,0,0,0|1,0,1]=4 500 B9R1.2 CC1=NC=CC(C=O)=N1 21493 [1,1,0,0,0,0|2,0,0]=4 501 B9R1.2 CC1=NC=CC(CN)=C1 34737 [1,1,0,0,0,0|2,0,0]=4 502 B9R1.2 CCC1=CC(N)=NC=C1 7108 [1,1,0,0,0,0|1,0,1]=4 503 B9R1.2 CCC1=CC=CC(Br)=C1 3771 [1,1,0,0,0,0|0,0,1]=3 504 B9R1.2 CCC1=CC=CC(N)=C1 13534 [1,1,0,0,0,0|0,0,1]=3 505 B9R1.2 CCC1=CC=CC(O)=C1 10772 [1,1,0,0,0,0|0,0,1]=3 506 B9R1.2 CCC1=NC=CC(Br)=C1 22128 [1,1,0,0,0,0|1,0,1]=4 507 B9R1.2 CNC1=CC(Cl)=CC=C1 9202 [1,1,0,0,0,0|1,0,1]=4 508 B9R1.2 CNC1=CC(F)=CC=C1 24835 [1,1,0,0,0,0|1,0,1]=4 509 B9R1.2 CNC1=CC=CC(O)=C1 27611 [1,1,0,0,0,0|1,0,1]=4 510 B9R1.2 COC1=CC(Br)=CC=C1 13575 [1,1,0,0,0,0|1,0,1]=4 511 B9R1.2 COC1=CC(Cl)=CC=C1 3615 [1,1,0,0,0,0|1,0,1]=4 512 B9R1.2 COC1=CC(F)=CC=C1 3474 [1,1,0,0,0,0|1,0,1]=4 513 B9R1.2 COC1=CC(I)=CC=C1 3904 [1,1,0,0,0,0|1,0,1]=4 514 B9R1.2 COC1=CC(O)=CC=C1 13577 [1,1,0,0,0,0|1,0,1]=4 515 B9R1.2 COC1=CC=CC(N)=C1 8374 [1,1,0,0,0,0|1,0,1]=4 516 B9R1.2 COC1=CC=CC(S)=C1 6817 [1,1,0,0,0,0|1,0,1]=4 517 B9R1.2 CSC1=CC(Br)=CC=C1 10649 [1,1,0,0,0,0|1,0,1]=4 518 B9R1.2 CSC1=CC(C)=CC=C1 10793 [1,1,0,0,0,0|1,0,1]=4 519 B9R1.2 CSC1=CC(Cl)=CC=C1 10644 [1,1,0,0,0,0|1,0,1]=4 520 B9R1.2 CSC1=CC(F)=CC=C1 10640 [1,1,0,0,0,0|1,0,1]=4 521 B9R1.2 CSC1=CC(I)=CC=C1 10669 [1,1,0,0,0,0|1,0,1]=4 522 B9R1.2 CSC1=CC(N)=CC=C1 10635 [1,1,0,0,0,0|1,0,1]=4 523 B9R1.2 ClC1=CC=CC(CBr)=C1 10765 [1,1,0,0,0,0|1,0,0]=3 524 B9R1.2 ClCC1=CC(Br)=CC=C1 23319 [1,1,0,0,0,0|1,0,0]=3 525 B9R1.2 ClCC1=CC(Cl)=CC=C1 7520 [1,1,0,0,0,0|1,0,0]=3 526 B9R1.2 ClCC1=CC(I)=CC=C1 31286 [1,1,0,0,0,0|1,0,0]=3 527 B9R1.2 ClCC1=CC(I)=CN=C1 27044 [1,1,0,0,0,0|2,0,0]=4 528 B9R1.2 ClCC1=CN=CC(Br)=C1 26331 [1,1,0,0,0,0|2,0,0]=4 529 B9R1.2 FC1=CC=CC(CBr)=C1 10214 [1,1,0,0,0,0|1,0,0]=3 530 B9R1.2 FC1=CC=CC(CCl)=C1 7516 [1,1,0,0,0,0|1,0,0]=3 531 B9R1.2 N#CC1=CC(Br)=CC=C1 1584 [1,1,0,0,0,0|1,0,1]=4 532 B9R1.2 N#CC1=CC(Cl)=CC=C1 3624 [1,1,0,0,0,0|1,0,1]=4 533 B9R1.2 N#CC1=CC(F)=CC=C1 1579 [1,1,0,0,0,0|1,0,1]=4 534 B9R1.2 N#CC1=CC(I)=CC=C1 3935 [1,1,0,0,0,0|1,0,1]=4 535 B9R1.2 N#CC1=CC(O)=CC=C1 13113 [1,1,0,0,0,0|1,0,1]=4 536 B9R1.2 N#CC1=CC=CC(S)=C1 26190 [1,1,0,0,0,0|1,0,1]=4 537 B9R1.2 NC1=CC=CC(CO)=C1 13383 [1,1,0,0,0,0|0,0,1]=3 538 B9R1.2 NC1=NC=CC(CCl)=C1 22291 [1,1,0,0,0,0|2,0,0]=4 539 B9R1.2 NC1=NC=CC(CO)=C1 7690 [1,1,0,0,0,0|1,0,1]=4 540 B9R1.2 NCC1=CC(Br)=CC=C1 21109 [1,1,0,0,0,0|1,0,0]=3 541 B9R1.2 NCC1=CC(Br)=CC=C1 3750 [1,1,0,0,0,0|1,0,0]=3 542 B9R1.2 NCC1=CC(F)=CC=C1 4417 [1,1,0,0,0,0|1,0,0]=3 543 B9R1.2 NCC1=CC(F)=NC=C1 34830 [1,1,0,0,0,0|2,0,0]=4 544 B9R1.2 NCC1=CC(I)=CC=C1 3302 [1,1,0,0,0,0|1,0,0]=3 545 B9R1.2 NCC1=CC(N)=CC=C1 5802 [1,1,0,0,0,0|1,0,0]=3 546 B9R1.2 NCC1=CC(N)=NC=C1 18667 [1,1,0,0,0,0|2,0,0]=4 547 B9R1.2 NCC1=NC=CC(Br)=C1 35197 [1,1,0,0,0,0|2,0,0]=4 548 B9R1.2 NNC1=CC(Br)=CC=C1 23212 [1,1,0,0,0,0|2,0,0]=4 549 B9R1.2 NNC1=CC(Cl)=CC=C1 7529 [1,1,0,0,0,0|2,0,0]=4 550 B9R1.2 NNC1=CC(F)=CC=C1 3341 [1,1,0,0,0,0|2,0,0]=4 551 B9R1.2 O=CC1=CC(Br)=CC=C1 3728 [1,1,0,0,0,0|0,0,0]=2 552 B9R1.2 O=CC1=CC(Br)=CN=C1 7706 [1,1,0,0,0,0|1,0,0]=3 553 B9R1.2 O=CC1=CC(Br)=NC=C1 5075 [1,1,0,0,0,0|1,0,0]=3 554 B9R1.2 O=CC1=CC(Cl)=CC=C1 10800 [1,1,0,0,0,0|0,0,0]=2 555 B9R1.2 O=CC1=CC(Cl)=NC=C1 5099 [1,1,0,0,0,0|1,0,0]=3 556 B9R1.2 O=CC1=CC(F)=CC=C1 3477 [1,1,0,0,0,0|0,0,0]=2 557 B9R1.2 O=CC1=CC(F)=NC=C1 17094 [1,1,0,0,0,0|1,0,0]=3 558 B9R1.2 O=CC1=CC(I)=CC=C1 3917 [1,1,0,0,0,0|0,0,0]=2 559 B9R1.2 O=CC1=CC(O)=CC=C1 7767 [1,1,0,0,0,0|0,0,0]=2 560 B9R1.2 O=CC1=CC(O)=CN=C1 23673 [1,1,0,0,0,0|1,0,0]=3 561 B9R1.2 O=CC1=CC(O)=NC=C1 9345 [1,1,0,0,0,0|1,0,0]=3 562 B9R1.2 O=CC1=CC=CC(F)=N1 15245 [1,1,0,0,0,0|1,0,0]=3 563 B9R1.2 O=CC1=CN=CC(Br)=C1 16604 [1,1,0,0,0,0|1,0,0]=3 564 B9R1.2 O=CC1=CN=CC(Cl)=C1 16702 [1,1,0,0,0,0|1,0,0]=3 565 B9R1.2 O=CC1=CN=CC(F)=C1 5151 [1,1,0,0,0,0|1,0,0]=3 566 B9R1.2 O=CC1=CN=CC(I)=C1 16653 [1,1,0,0,0,0|1,0,0]=3 567 B9R1.2 O=CC1=NC(Br)=CC=C1 3196 [1,1,0,0,0,0|1,0,0]=3 568 B9R1.2 O=CC1=NC(Br)=CC=C1 9209 [1,1,0,0,0,0|1,0,0]=3 569 B9R1.2 O=CC1=NC(Cl)=CC=C1 13323 [1,1,0,0,0,0|1,0,0]=3 570 B9R1.2 O=CC1=NC(Cl)=CN=C1 32134 [1,1,0,0,0,0|2,0,0]=4 571 B9R1.2 O=CC1=NC=CC(Cl)=C1 24779 [1,1,0,0,0,0|1,0,0]=3 572 B9R1.2 OCC1=CC(Br)=CC=C1 3747 [1,1,0,0,0,0|0,0,1]=3 573 B9R1.2 OCC1=CC(Br)=CN=C1 22108 [1,1,0,0,0,0|1,0,1]=4 574 B9R1.2 OCC1=CC(Br)=NC=C1 7708 [1,1,0,0,0,0|1,0,1]=4 575 B9R1.2 OCC1=CC(Cl)=CC=C1 3626 [1,1,0,0,0,0|0,0,1]=3 576 B9R1.2 OCC1=CC(Cl)=CN=C1 12982 [1,1,0,0,0,0|1,0,1]=4 577 B9R1.2 OCC1=CC(Cl)=NC=C1 18605 [1,1,0,0,0,0|1,0,1]=4 578 B9R1.2 OCC1=CC(F)=CC=C1 3486 [1,1,0,0,0,0|0,0,1]=3 579 B9R1.2 OCC1=CC(I)=CC=C1 24776 [1,1,0,0,0,0|0,0,1]=3 580 B9R1.2 OCC1=CC(I)=CN=C1 16706 [1,1,0,0,0,0|1,0,1]=4 581 B9R1.2 OCC1=CC=CC(Br)=N1 7712 [1,1,0,0,0,0|1,0,1]=4 582 B9R1.2 OCC1=NC(Cl)=CC=C1 13322 [1,1,0,0,0,0|1,0,1]=4 583 B9R1.2 OCC1=NC(Cl)=CC=C1 18795 [1,1,0,0,0,0|1,0,1]=4 584 B9R1.2 OCC1=NC(I)=CC=C1 26934 [1,1,0,0,0,0|1,0,1]=4 585 B9R1.2 OCC1=NC=CC(Br)=C1 20564 [1,1,0,0,0,0|1,0,1]=4 586 B9R1.2 OCC1=NC=CC(Cl)=C1 9828 [1,1,0,0,0,0|1,0,1]=4 587 B9R1.6 CC(=O)C1=CC=CN=C1 1301 [1,1,0,0,0,0|1,0,0]=3 588 B9R1.6 CC(=O)C1=CC=CN=N1 16091 [1,1,0,0,0,0|2,0,0]=4 589 B9R1.6 CC(=O)C1=CC=NC=C1 7542 [1,1,0,0,0,0|1,0,0]=3 590 B9R1.6 CC(=O)C1=CN=CN=C1 13185 [1,1,0,0,0,0|2,0,0]=4 591 B9R1.6 CC(=O)C1=NC=CC=C1 13363 [1,1,0,0,0,0|1,0,0]=3 592 B9R1.6 CC(=O)C1=NC=CC=N1 19777 [1,1,0,0,0,0|2,0,0]=4 593 B9R1.6 CC(=O)C1=NC=CN=C1 8542 [1,1,0,0,0,0|2,0,0]=4 594 B9R1.6 CC(=O)C1=NC=NC=C1 33412 [1,1,0,0,0,0|2,0,0]=4 595 B9R1.6 CC(Cl)C1=CC=CC=C1 10204 [1,1,0,0,0,0|0,0,1]=3 596 B9R1.6 CC(N)C1=CC=CC=C1 21079 [1,1,0,0,0,0|0,0,1]=3 597 B9R1.6 CP(C)C1=CC=CC=C1 6420 [1,1,0,0,0,0|1,0,1]=4 598 B9R1.6 C[C@@H](N)c1ccccc1 6026 [1,1,0,0,0,0|0,0,1]=3 599 B9R1.6 C[C@@H](N)c1ccccc1 6060 [1,1,0,0,0,0|0,0,1]=3 600 B9R1.6 C[C@@H](N)c1ccccc1 9918 [1,1,0,0,0,0|0,0,1]=3 601 B9R1.6 C[C@@H](O)C1=CC=CN=C1 27201 [1,1,0,0,0,0|1,0,1]=4 602 B9R1.6 C[C@@H](O)C1=NC=CC=C1 5699 [1,1,0,0,0,0|1,0,1]=4 603 B9R1.6 C[C@@H](O)c1ccccc1 6851 [1,1,0,0,0,0|0,0,1]=3 604 B9R1.6 C[C@H](N)c1ccccc1 6025 [1,1,0,0,0,0|0,0,1]=3 605 B9R1.6 C[C@H](N)c1ccccc1 6061 [1,1,0,0,0,0|0,0,1]=3 606 B9R1.6 C[C@H](O)C1=NC=CC=C1 5701 [1,1,0,0,0,0|1,0,1]=4 607 B9R1.6 C[C@H](O)c1ccccc1 6858 [1,1,0,0,0,0|0,0,1]=3 608 B9R1.6 ClP(Cl)C1=CC=CC=C1 6469 [1,1,0,0,0,0|2,0,0]=4 609 B9R1.6 FC(Cl)C1=CC=CC=C1 15923 [1,1,0,0,0,0|1,0,0]=3 610 B9R1.6 N=C(N)C1=CC=CN=C1 17590 [1,1,0,0,0,0|2,0,0]=4 611 B9R1.6 N=C(N)C1=CC=C[NH+]=C1 16743 [1,1,0,0,0,0|2,0,0]=4 612 B9R1.6 N=C(N)C1=CC=NC=C1 17463 [1,1,0,0,0,0|2,0,0]=4 613 B9R1.6 N=C(N)C1=NC=CC=C1 20227 [1,1,0,0,0,0|2,0,0]=4 614 B9R1.6 NC(=O)C1=CC=NC=C1 6888 [1,1,0,0,0,0|1,0,0]=3 615 B9R1.6 NC(=S)C1=CC=CC=C1 13565 [1,1,0,0,0,0|0,1,0]=3 616 B9R1.6 NC(=S)C1=CC=CC=C1 18582 [1,1,0,0,0,0|0,1,0]=3 617 B9R1.6 O=C(Cl)C1=CC=CC=C1 22045 [1,1,0,0,0,0|0,0,0]=2 618 B9R1.6 O=C(Cl)C1=CC=NC=C1 23974 [1,1,0,0,0,0|1,0,0]=3 619 B9R1.6 O=C(Cl)C1=CN=CC=C1 15186 [1,1,0,0,0,0|1,0,0]=3 620 B9R1.6 O=C(Cl)C1=CN=CN=C1 25063 [1,1,0,0,0,0|2,0,0]=4 621 B9R1.6 O=C(Cl)C1=NC=CC=C1 2059 [1,1,0,0,0,0|1,0,0]=3 622 B9R1.6 O=C(Cl)C1=NC=NC=C1 15402 [1,1,0,0,0,0|2,0,0]=4 623 B9R1.6 O=C(O)C1=CC=CN=N1 22109 [1,1,0,0,0,0|2,0,0]=4 624 B9R1.6 O=C(O)C1=CC=NC=C1 2595 [1,1,0,0,0,0|1,0,0]=3 625 B9R1.6 O=C(O)C1=CN=CC=C1 2594 [1,1,0,0,0,0|1,0,0]=3 626 B9R1.6 O=C(O)C1=CN=CN=C1 2056 [1,1,0,0,0,0|2,0,0]=4 627 B9R1.6 O=C(O)C1=CN=NC=C1 9501 [1,1,0,0,0,0|2,0,0]=4 628 B9R1.6 O=C(O)C1=NC=CC=C1 9774 [1,1,0,0,0,0|1,0,0]=3 629 B9R1.6 O=C(O)C1=NC=CC=N1 9603 [1,1,0,0,0,0|2,0,0]=4 630 B9R1.6 O=C(O)C1=NC=CN=C1 8602 [1,1,0,0,0,0|2,0,0]=4 631 B9R1.6 O=C(O)C1=NC=NC=C1 5297 [1,1,0,0,0,0|2,0,0]=4 632 B9R1.6 O=C([O-])C1=NC=CC=C1 20107 [1,1,0,0,0,0|1,0,0]=3 633 B9R1.6 O=[N+]([O-])C1=CC=CN=C1 6646 [1,1,0,0,0,0|2,0,0]=4 634 B9R1.6 OB(O)C1=CC=CC=C1 1753 [1,1,0,0,0,0|1,0,1]=4 635 B9R1.6 OC(=S)C1=CC=CC=C1 36202 [1,1,0,0,0,0|0,0,1]=3 636 B9R1.15 BrCC1=C(Br)C=CC=C1 16915 [1,1,0,0,0,0|1,0,0]=3 637 B9R1.15 BrCC1=C(I)C=CC=C1 14812 [1,1,0,0,0,0|1,0,0]=3 638 B9R1.15 BrCC1=CC=CN=C1Br 22284 [1,1,0,0,0,0|2,0,0]=4 639 B9R1.15 C#CC1=C(Cl)C=CC=C1 2550 [1,1,0,0,0,0|0,0,2]=4 640 B9R1.15 C=CC1=C(Br)C=CC=C1 23975 [1,1,0,0,0,0|0,0,1]=3 641 B9R1.15 CC1=C(C#N)C=CC=C1 25285 [1,1,0,0,0,0|1,0,1]=4 642 B9R1.15 CC1=C(C=O)C=CC=N1 24064 [1,1,0,0,0,0|1,0,0]=3 643 B9R1.15 CC1=C(CCl)C=CC=C1 7487 [1,1,0,0,0,0|1,0,0]=3 644 B9R1.15 CC1=C(CN)C=CC=C1 10197 [1,1,0,0,0,0|1,0,0]=3 645 B9R1.15 CC1=C(CO)C=NC=C1 34710 [1,1,0,0,0,0|1,0,1]=4 646 B9R1.15 CC1=C(NN)C=CC=C1 22584 [1,1,0,0,0,0|2,0,0]=4 647 B9R1.15 CC1=C(NN)C=CC=C1 6396 [1,1,0,0,0,0|2,0,0]=4 648 B9R1.15 CC1=CC=CC=C1C=O 15511 [1,1,0,0,0,0|0,0,0]=2 649 B9R1.15 CC1=CC=CN=C1C=O 17165 [1,1,0,0,0,0|1,0,0]=3 650 B9R1.15 CC1=CC=NC=C1C=O 18427 [1,1,0,0,0,0|1,0,0]=3 651 B9R1.15 CC1=NC=CC=C1CCl 26692 [1,1,0,0,0,0|2,0,0]=4 652 B9R1.15 CC1=NC=CC=C1CO 26693 [1,1,0,0,0,0|1,0,1]=4 653 B9R1.15 CCC1=C(Br)C=CC=C1 3770 [1,1,0,0,0,0|0,0,1]=3 654 B9R1.15 CCC1=C(I)C=CC=C1 3876 [1,1,0,0,0,0|0,0,1]=3 655 B9R1.15 CCC1=C(N)C=CC=C1 20945 [1,1,0,0,0,0|0,0,1]=3 656 B9R1.15 CCC1=C(N)C=CC=C1 21080 [1,1,0,0,0,0|0,0,1]=3 657 B9R1.15 CCC1=C(O)C=CC=C1 3871 [1,1,0,0,0,0|0,0,1]=3 658 B9R1.15 CCC1=C(S)C=CC=C1 6844 [1,1,0,0,0,0|0,0,1]=3 659 B9R1.15 CCC1=CC=CN=C1N 35166 [1,1,0,0,0,0|1,0,1]=4 660 B9R1.15 CCC1=NC=CC=C1Br 27958 [1,1,0,0,0,0|1,0,1]=4 661 B9R1.15 CC[N+]1=C(Br)C=CC=C1 35190 [1,1,0,0,0,0|1,0,1]=4 662 B9R1.15 CNC1=C(F)C=CC=C1 15527 [1,1,0,0,0,0|1,0,1]=4 663 B9R1.15 CNC1=CC=CC=C1N 14987 [1,1,0,0,0,0|1,0,1]=4 664 B9R1.15 COC1=C(Br)C=CC=C1 3725 [1,1,0,0,0,0|1,0,1]=4 665 B9R1.15 COC1=C(Cl)C=CC=C1 3614 [1,1,0,0,0,0|1,0,1]=4 666 B9R1.15 COC1=C(F)C=CC=C1 3473 [1,1,0,0,0,0|1,0,1]=4 667 B9R1.15 COC1=C(I)C=CC=C1 3898 [1,1,0,0,0,0|1,0,1]=4 668 B9R1.15 COC1=C(S)C=CC=C1 6816 [1,1,0,0,0,0|1,0,1]=4 669 B9R1.15 COC1=CC=CC=C1O 26545 [1,1,0,0,0,0|1,0,1]=4 670 B9R1.15 CSC1=C(Br)C=CC=C1 10648 [1,1,0,0,0,0|1,0,1]=4 671 B9R1.15 CSC1=C(C)C=CC=C1 10730 [1,1,0,0,0,0|1,0,1]=4 672 B9R1.15 CSC1=C(Cl)C=CC=C1 10643 [1,1,0,0,0,0|1,0,1]=4 673 B9R1.15 CSC1=C(F)C=CC=C1 10638 [1,1,0,0,0,0|1,0,1]=4 674 B9R1.15 CSC1=C(I)C=CC=C1 10668 [1,1,0,0,0,0|1,0,1]=4 675 B9R1.15 CSC1=C(N)C=CC=C1 10633 [1,1,0,0,0,0|1,0,1]=4 676 B9R1.15 CSC1=C(O)C=CC=C1 10666 [1,1,0,0,0,0|1,0,1]=4 677 B9R1.15 ClC1=C(CBr)C=CC=C1 12482 [1,1,0,0,0,0|1,0,0]=3 678 B9R1.15 ClCC1=C(Cl)C=CC=C1 10203 [1,1,0,0,0,0|1,0,0]=3 679 B9R1.15 ClCC1=NC=CC=C1Cl 27217 [1,1,0,0,0,0|2,0,0]=4 680 B9R1.15 FC1=C(CBr)C=CC=C1 10383 [1,1,0,0,0,0|1,0,0]=3 681 B9R1.15 FC1=C(CCl)C=CC=C1 2094 [1,1,0,0,0,0|1,0,0]=3 682 B9R1.15 N#CC1=C(Br)C=CC=C1 3744 [1,1,0,0,0,0|1,0,1]=4 683 B9R1.15 N#CC1=C(F)C=CC=C1 1578 [1,1,0,0,0,0|1,0,1]=4 684 B9R1.15 N#CC1=C(I)C=CC=C1 3932 [1,1,0,0,0,0|1,0,1]=4 685 B9R1.15 N#CC1=C(O)C=CC=C1 4803 [1,1,0,0,0,0|1,0,1]=4 686 B9R1.15 N#CC1=CC=CC=C1N 13630 [1,1,0,0,0,0|1,0,1]=4 687 B9R1.15 NC1=C(C=O)C=CC=C1 15692 [1,1,0,0,0,0|0,0,0]=2 688 B9R1.15 NC1=C(C=O)C=CN=C1 26765 [1,1,0,0,0,0|1,0,0]=3 689 B9R1.15 NC1=C(C=O)C=NC=C1 7681 [1,1,0,0,0,0|1,0,0]=3 690 B9R1.15 NC1=C(CO)C=CC=C1 7478 [1,1,0,0,0,0|0,0,1]=3 691 B9R1.15 NC1=C(CO)C=CN=C1 7692 [1,1,0,0,0,0|1,0,1]=4 692 B9R1.15 NC1=C(CO)C=NC=C1 26901 [1,1,0,0,0,0|1,0,1]=4 693 B9R1.15 NC1=CC=CN=C1C=O 7680 [1,1,0,0,0,0|1,0,0]=3 694 B9R1.15 NC1=CC=CN=C1CO 35900 [1,1,0,0,0,0|1,0,1]=4 695 B9R1.15 NC1=NC=CC=C1C=O 1262 [1,1,0,0,0,0|1,0,0]=3 696 B9R1.15 NC1=NC=CC=C1CO 7688 [1,1,0,0,0,0|1,0,1]=4 697 B9R1.15 NCC1=C(Br)C=CC=C1 20398 [1,1,0,0,0,0|1,0,0]=3 698 B9R1.15 NCC1=C(Br)C=CC=C1 3749 [1,1,0,0,0,0|1,0,0]=3 699 B9R1.15 NCC1=C(Cl)C=CC=C1 5800 [1,1,0,0,0,0|1,0,0]=3 700 B9R1.15 NCC1=C(Cl)C=CC=C1 6155 [1,1,0,0,0,0|1,0,0]=3 701 B9R1.15 NCC1=C(F)C=CC=C1 4415 [1,1,0,0,0,0|1,0,0]=3 702 B9R1.15 NCC1=C(N)C=CC=C1 23363 [1,1,0,0,0,0|1,0,0]=3 703 B9R1.15 NCC1=C(O)C=CC=C1 7383 [1,1,0,0,0,0|1,0,0]=3 704 B9R1.15 NCC1=CC=CN=C1Cl 17749 [1,1,0,0,0,0|2,0,0]=4 705 B9R1.15 NCC1=NC=CC=C1O 34602 [1,1,0,0,0,0|2,0,0]=4 706 B9R1.15 NNC1=C(Br)C=CC=C1 4463 [1,1,0,0,0,0|2,0,0]=4 707 B9R1.15 NNC1=C(Cl)C=CC=C1 4482 [1,1,0,0,0,0|2,0,0]=4 708 B9R1.15 NNC1=C(F)C=CC=C1 3347 [1,1,0,0,0,0|2,0,0]=4 709 B9R1.15 NNC1=C(F)C=CC=C1 3350 [1,1,0,0,0,0|2,0,0]=4 710 B9R1.15 O=CC1=C(Br)C=CC=C1 3727 [1,1,0,0,0,0|0,0,0]=2 711 B9R1.15 O=CC1=C(Br)C=CN=C1 5061 [1,1,0,0,0,0|1,0,0]=3 712 B9R1.15 O=CC1=C(Br)C=NC=C1 5063 [1,1,0,0,0,0|1,0,0]=3 713 B9R1.15 O=CC1=C(Cl)C=CN=C1 7359 [1,1,0,0,0,0|1,0,0]=3 714 B9R1.15 O=CC1=C(Cl)C=NC=C1 25431 [1,1,0,0,0,0|1,0,0]=3 715 B9R1.15 O=CC1=C(F)C=CC=C1 3476 [1,1,0,0,0,0|0,0,0]=2 716 B9R1.15 O=CC1=C(F)C=NC=C1 5137 [1,1,0,0,0,0|1,0,0]=3 717 B9R1.15 O=CC1=C(I)C=CC=C1 3914 [1,1,0,0,0,0|0,0,0]=2 718 B9R1.15 O=CC1=C(O)C=NC=C1 33398 [1,1,0,0,0,0|1,0,0]=3 719 B9R1.15 O=CC1=C(O)N=CC=C1 17177 [1,1,0,0,0,0|1,0,0]=3 720 B9R1.15 O=CC1=CC=CN=C1Br 5057 [1,1,0,0,0,0|1,0,0]=3 721 B9R1.15 O=CC1=CC=CN=C1Cl 31630 [1,1,0,0,0,0|1,0,0]=3 722 B9R1.15 O=CC1=CC=CN=C1Cl 5097 [1,1,0,0,0,0|1,0,0]=3 723 B9R1.15 O=CC1=CC=CN=C1F 5131 [1,1,0,0,0,0|1,0,0]=3 724 B9R1.15 O=CC1=NC=CC=C1Br 15122 [1,1,0,0,0,0|1,0,0]=3 725 B9R1.15 O=CC1=NC=CC=C1Cl 17163 [1,1,0,0,0,0|1,0,0]=3 726 B9R1.15 O=CC1=NC=CC=C1F 5142 [1,1,0,0,0,0|1,0,0]=3 727 B9R1.15 O=CC1=NC=CC=C1O 12415 [1,1,0,0,0,0|1,0,0]=3 728 B9R1.15 O=CC1=NC=CN=C1Cl 32137 [1,1,0,0,0,0|2,0,0]=4 729 B9R1.15 O=CC1=NC=NC=C1Br 21031 [1,1,0,0,0,0|2,0,0]=4 730 B9R1.15 OCC1=C(Br)C=CC=C1 3746 [1,1,0,0,0,0|0,0,1]=3 731 B9R1.15 OCC1=C(Cl)C=CC=C1 3625 [1,1,0,0,0,0|0,0,1]=3 732 B9R1.15 OCC1=C(Cl)C=CN=C1 12981 [1,1,0,0,0,0|1,0,1]=4 733 B9R1.15 OCC1=C(F)C=CC=C1 3485 [1,1,0,0,0,0|0,0,1]=3 734 B9R1.15 OCC1=C(F)C=NC=C1 23891 [1,1,0,0,0,0|1,0,1]=4 735 B9R1.15 OCC1=C(O)C=CC=C1 21869 [1,1,0,0,0,0|0,0,1]=3 736 B9R1.15 OCC1=CC=CN=C1Cl 12984 [1,1,0,0,0,0|1,0,1]=4 737 B9R1.15 OCC1=CC=CN=C1F 7351 [1,1,0,0,0,0|1,0,1]=4 738 B9R1.15 OCC1=NC=CC=C1F 15108 [1,1,0,0,0,0|1,0,1]=4 739 B9R1.15 OCC1=NC=CC=C1O 4075 [1,1,0,0,0,0|1,0,1]=4 740 B9R1.15 SCC1=C(Cl)C=CC=C1 6836 [1,1,0,0,0,0|0,1,0]=3 741 B9R1.15 SCc1ccccc1Br 6847 [1,1,0,0,0,0|0,1,0]=3 742 B9R1.12 O=C\C=C\C1=CC=CO1 6949 [0,1,0,0,1,0|1,0,1]=4 743 B9R1.13 CC(=O)NC1=CC=CS1 5216 [0,1,0,0,1,0|2,0,0]=4 744 B9R1.13 O=C(Cl)CC1=CC=CS1 5578 [0,1,0,0,1,0|1,0,0]=3 745 B9R1.13 O=C(O)CC1=CC=CO1 17310 [0,1,0,0,1,0|1,0,0]=3 746 B9R1.13 O=C(O)CC1=CC=CS1 5168 [0,1,0,0,1,0|1,0,0]=3 747 B9R1.13 O=C(O)CC1=CSC=C1 5586 [0,1,0,0,1,0|1,0,0]=3 748 B9R1.13 O=C(O)CC1=NC=CN1 18001 [0,1,0,0,1,0|2,0,0]=4 749 B9R1.13 O=C(O)CN1C=CN=C1 7609 [0,1,0,0,1,0|2,0,0]=4 750 B9R1.13 O=C(O)CN1C=CN=C1 8383 [0,1,0,0,1,0|2,0,0]=4 751 B11R1.1 C#CCOC1=CC=C(N)C=C1 22969 [0,2,0,0,0,0|1,0,1]=4 752 B11R1.1 CC1=CC=C(CSC#N)C=C1 31941 [0,2,0,0,0,0|1,0,1]=4 753 B11R1.1 CCCCC1=CC=C(Br)C=C1 15109 [0,2,0,0,0,0|1,0,1]=4 754 B11R1.1 CCCCC1=CC=C(I)C=C1 3969 [0,2,0,0,0,0|1,0,1]=4 755 B11R1.1 CCCCC1=CC=C(N)C=C1 23885 [0,2,0,0,0,0|1,0,1]=4 756 B11R1.1 CCCOC1=CC=C(O)C=C1 13204 [0,2,0,0,0,0|1,0,1]=4 757 B11R1.1 CNCCC1=CC=C(O)C=C1 15214 [0,2,0,0,0,0|1,0,1]=4 758 B11R1.1 COCCc1ccc(O)cc1 27303 [0,2,0,0,0,0|0,0,2]=4 759 B11R1.1 COCOC1=CC=C(C)C=C1 15106 [0,2,0,0,0,0|2,0,0]=4 760 B11R1.1 ClC1=CC=C(CCCBr)C=C1 25685 [0,2,0,0,0,0|1,0,1]=4 761 B11R1.1 ClC1=CC=C(OCCBr)C=C1 17076 [0,2,0,0,0,0|1,0,1]=4 762 B11R1.1 ClCCCC1=CC=C(Cl)C=C1 23877 [0,2,0,0,0,0|1,0,1]=4 763 B11R1.1 FC1=CC=C(CN=C=S)C=C1 5031 [0,2,0,0,0,0|0,1,1]=4 764 B11R1.1 FC1=CC=C(OCCBr)C=C1 15003 [0,2,0,0,0,0|1,0,1]=4 765 B11R1.1 N#CCCC1=CC=C(Br)C=C1 20432 [0,2,0,0,0,0|1,0,1]=4 766 B11R1.1 N#CCCC1=CC=C(O)C=C1 13636 [0,2,0,0,0,0|1,0,1]=4 767 B11R1.1 N#CCOC1=CC=C(Cl)C=C1 15005 [0,2,0,0,0,0|1,0,1]=4 768 B11R1.1 NC1=CC=C(NCCO)C=C1 20871 [0,2,0,0,0,0|0,0,2]=4 769 B11R1.1 NCCCC1=CC=C(O)C=C1 35658 [0,2,0,0,0,0|1,0,1]=4 770 B11R1.1 NCCOC1=CC=C(F)C=C1 13107 [0,2,0,0,0,0|1,0,1]=4 771 B11R1.1 O=C=NCC1=CC=C(F)C=C1 28902 [0,2,0,0,0,0|0,0,1]=3 772 B11R1.1 O=CCCC1=CC=C(F)C=C1 31590 [0,2,0,0,0,0|0,0,0]=2 773 B11R1.1 O=CCCC1=CC=C(O)C=C1 13990 [0,2,0,0,0,0|0,0,0]=2 774 B11R1.1 O=C\C=C\C1=CC=C(F)C=C1 11046 [0,2,0,0,0,0|0,0,1]=3 775 B11R1.1 OCCCC1=CC=C(Br)C=C1 3984 [0,2,0,0,0,0|0,0,2]=4 776 B11R1.1 OCCCC1=CC=C(Cl)C=C1 9806 [0,2,0,0,0,0|0,0,2]=4 777 B11R1.1 OCCCC1=CC=C(O)C=C1 25607 [0,2,0,0,0,0|0,0,2]=4 778 B11R1.20 CC(=O)CC1=CC=C(Br)C=C1 31604 [0,2,0,0,0,0|0,0,0]=2 779 B11R1.20 CC(=O)CC1=CC=C(Cl)C=C1 28145 [0,2,0,0,0,0|0,0,0]=2 780 B11R1.20 CC(=O)CC1=CC=C(F)C=C1 28133 [0,2,0,0,0,0|0,0,0]=2 781 B11R1.20 CC(=O)CC1=CC=C(O)C=C1 35682 [0,2,0,0,0,0|0,0,0]=2 782 B11R1.20 CC(=O)NC1=CC=C(C)C=C1 3342 [0,2,0,0,0,0|1,0,0]=3 783 B11R1.20 CC(=O)NC1=CC=C(Cl)C=C1 26262 [0,2,0,0,0,0|1,0,0]=3 784 B11R1.20 CC(=O)NC1=CC=C(I)C=C1 3293 [0,2,0,0,0,0|1,0,0]=3 785 B11R1.20 CC(=O)NC1=CC=C(O)C=C1 17726 [0,2,0,0,0,0|1,0,0]=3 786 B11R1.20 CC(=O)NC1=CC=C(S)C=C1 6832 [0,2,0,0,0,0|1,0,0]=3 787 B11R1.20 CC(=O)NC1=CN=C(Br)C=C1 9474 [0,2,0,0,0,0|2,0,0]=4 788 B11R1.20 CC(=O)NC1=NC=C(Br)C=C1 5546 [0,2,0,0,0,0|2,0,0]=4 789 B11R1.20 CC(=O)NC1=NC=C(F)C=C1 1298 [0,2,0,0,0,0|2,0,0]=4 790 B11R1.20 CC(=O)NC1=NC=C(N)C=C1 1297 [0,2,0,0,0,0|2,0,0]=4 791 B11R1.20 CC(=O)OC1=CC=C(F)C=C1 3061 [0,2,0,0,0,0|1,0,0]=3 792 B11R1.20 CC(C)CC1=CC=C(Br)C=C1 27490 [0,2,0,0,0,0|1,0,1]=4 793 B11R1.20 CC(N)CC1=CC=C(F)C=C1 19961 [0,2,0,0,0,0|1,0,1]=4 794 B11R1.20 CC1=CC=C(CC(O)=S)C=C1 10789 [0,2,0,0,0,0|0,0,1]=3 795 B11R1.20 FC(F)=CC1=CC=C(Br)C=C1 33252 [0,2,0,0,0,0|1,0,1]=4 796 B11R1.20 NC(=O)CC1=CC=C(O)C=C1 17532 [0,2,0,0,0,0|0,0,0]=2 797 B11R1.20 NC(=S)NC1=CC=C(Br)C=C1 14266 [0,2,0,0,0,0|1,1,0]=4 798 B11R1.20 NC(=S)NC1=CC=C(F)C=C1 10059 [0,2,0,0,0,0|1,1,0]=4 799 B11R1.20 NC1=CC=C(CC(=O)O)C=N1 25031 [0,2,0,0,0,0|1,0,0]=3 800 B11R1.20 NC1=CN=C(CC(=O)O)C=C1 32286 [0,2,0,0,0,0|1,0,0]=3 801 B11R1.20 Nc1ccc(CC(=O)O)cc1 22147 [0,2,0,0,0,0|0,0,0]=2 802 B11R1.20 O=C(Cl)CC1=CC=C(Cl)C=C1 44721 [0,2,0,0,0,0|0,0,0]=2 803 B11R1.20 O=C(Cl)CC1=CC=C(F)C=C1 17517 [0,2,0,0,0,0|0,0,0]=2 804 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 4246 [0,2,0,0,0,0|0,0,0]=2 805 B11R1.20 O=C(O)CC1=CC=C(Cl)C=C1 4250 [0,2,0,0,0,0|0,0,0]=2 806 B11R1.20 O=C(O)CC1=CC=C(Cl)N=C1 13909 [0,2,0,0,0,0|1,0,0]=3 807 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 13432 [0,2,0,0,0,0|0,0,0]=2 808 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 19614 [0,2,0,0,0,0|0,0,0]=2 809 B11R1.20 O=C(O)CC1=CC=C(I)C=C1 18835 [0,2,0,0,0,0|0,0,0]=2 810 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 22193 [0,2,0,0,0,0|0,0,0]=2 811 B11R1.20 O=C(O)CC1=CC=C(S)C=C1 34915 [0,2,0,0,0,0|0,0,0]=2 812 B11R1.20 O=C([O-])[ClH]C1=CC=C(Br)C=C1 28974 [0,2,0,0,0,0|1,0,0]=3 813 B11R1.20 O=C([O-])[ClH]C1=CC=C(F)C=C1 28972 [0,2,0,0,0,0|1,0,0]=3 814 B11R1.22 CC1=CC=C(C(=O)C=O)C=C1 12114 [0,2,0,0,0,0|0,0,1]=3 815 B11R1.22 CC1=CC=C([C@H](O)CN)C=C1 19376 [0,2,0,0,0,0|1,0,1]=4 816 B11R1.22 CC[C@@H](O)C1=CC=C(Br)C=C1 15566 [0,2,0,0,0,0|1,0,1]=4 817 B11R1.22 CC[C@@H](O)C1=CC=C(Cl)C=C1 15579 [0,2,0,0,0,0|1,0,1]=4 818 B11R1.22 CC[C@@H](O)C1=CC=C(F)C=C1 15586 [0,2,0,0,0,0|1,0,1]=4 819 B11R1.22 N#C[C@H](O)C1=CC=C(Br)C=C1 17476 [0,2,0,0,0,0|1,0,1]=4 820 B11R1.22 N#C[C@H](O)C1=CC=C(Cl)C=C1 17478 [0,2,0,0,0,0|1,0,1]=4 821 B11R1.22 NCC(O)C1=CC=C(Cl)C=C1 19370 [0,2,0,0,0,0|1,0,1]=4 822 B11R1.22 NCC(O)C1=CC=C(O)C=C1 18242 [0,2,0,0,0,0|1,0,1]=4 823 B11R1.22 O=CC(=O)C1=CC=C(Br)C=C1 12103 [0,2,0,0,0,0|0,0,1]=3 824 B11R1.22 O=CC(=O)C1=CC=C(Br)C=C1 27268 [0,2,0,0,0,0|0,0,1]=3 825 B11R1.22 O=CC(=O)C1=CC=C(Cl)C=C1 12090 [0,2,0,0,0,0|0,0,1]=3 826 B11R1.22 O=CC(=O)C1=CC=C(F)C=C1 12088 [0,2,0,0,0,0|0,0,1]=3 827 B11R1.22 O=CC(=O)C1=CC=C(O)C=C1 12125 [0,2,0,0,0,0|0,0,1]=3 828 B11R1.22 OCC(O)C1=CC=C(Br)C=C1 27665 [0,2,0,0,0,0|0,0,2]=4 829 B11R1.81 CC1=C(CC#N)C=CC(Br)=C1 31471 [0,2,0,0,0,0|1,0,1]=4 830 B11R1.81 CC1=C(CC#N)C=CC(F)=C1 31533 [0,2,0,0,0,0|1,0,1]=4 831 B11R1.81 CC1=CC(F)=C(CC#N)C=C1 4171 [0,2,0,0,0,0|1,0,1]=4 832 B11R1.81 CCCC1=C(O)C=C(O)C=C1 25562 [0,2,0,0,0,0|1,0,1]=4 833 B11R1.81 CNCC1=C(Cl)C=C(Cl)C=C1 22904 [0,2,0,0,0,0|2,0,0]=4 834 B11R1.81 COCC1=C(N)C=C(Br)C=C1 31052 [0,2,0,0,0,0|2,0,0]=4 835 B11R1.81 N#CCC1=C(Br)C=C(Br)C=C1 28860 [0,2,0,0,0,0|1,0,1]=4 836 B11R1.81 N#CCC1=C(Br)C=C(F)C=C1 16802 [0,2,0,0,0,0|1,0,1]=4 837 B11R1.81 N#CCC1=C(Cl)C=C(Br)C=C1 31548 [0,2,0,0,0,0|1,0,1]=4 838 B11R1.81 N#CCC1=C(Cl)C=C(Cl)C=C1 9014 [0,2,0,0,0,0|1,0,1]=4 839 B11R1.81 N#CCC1=C(Cl)C=C(F)C=C1 4251 [0,2,0,0,0,0|1,0,1]=4 840 B11R1.81 N#CCC1=C(F)C=C(Br)C=C1 10413 [0,2,0,0,0,0|1,0,1]=4 841 B11R1.81 N#CCC1=C(F)C=C(Cl)C=C1 4296 [0,2,0,0,0,0|1,0,1]=4 842 B11R1.81 N#CCC1=C(F)C=C(F)C=C1 1586 [0,2,0,0,0,0|1,0,1]=4 843 B11R1.81 O=C=NC1=C(F)C=C(F)C=C1 4453 [0,2,0,0,0,0|1,0,1]=4 844 B11R1.81 OCCC1=C(Cl)C=C(F)C=C1 31586 [0,2,0,0,0,0|0,0,2]=4 845 B11R1.83 C#CC1=CC=C(CCC)C=C1 10973 [0,2,0,0,0,0|1,0,1]=4 846 B11R1.83 CNCC1=CC=C(OC)C=C1 10499 [0,2,0,0,0,0|2,0,0]=4 847 B11R1.83 COC1=CC=C(CC#N)C=C1 20331 [0,2,0,0,0,0|1,0,1]=4 848 B11R1.83 COC1=CC=C(CC=O)C=C1 25207 [0,2,0,0,0,0|0,0,0]=2 849 B11R1.83 COC1=CC=C(CCN)C=C1 4589 [0,2,0,0,0,0|1,0,1]=4 850 B11R1.83 COC1=CC=C(N=C=O)C=C1 1920 [0,2,0,0,0,0|1,0,1]=4 851 B11R1.83 CSC1=CC=C(CC#N)C=C1 10715 [0,2,0,0,0,0|1,0,1]=4 852 B11R1.83 C\C=C\C1=CC=C(OC)C=C1 35689 [0,2,0,0,0,0|1,0,1]=4 853 B11R1.83 N#CC1=CC=C(CCN)C=C1 31896 [0,2,0,0,0,0|1,0,1]=4 854 B11R1.83 N#CC1=CC=C(CCN)C=C1 31898 [0,2,0,0,0,0|1,0,1]=4 855 B11R1.192 CC1=C(Cl)C=CC(N=C=O)=C1 28893 [0,2,0,0,0,0|1,0,1]=4 856 B11R1.192 COCC1=CC(F)=C(Br)C=C1 27438 [0,2,0,0,0,0|2,0,0]=4 857 B11R1.192 COCC1=CC(N)=C(Br)C=C1 31047 [0,2,0,0,0,0|2,0,0]=4 858 B11R1.192 Cc1cc(CC#N)ccc1Br 31491 [0,2,0,0,0,0|1,0,1]=4 859 B11R1.192 Cc1cc(CC#N)ccc1F 31505 [0,2,0,0,0,0|1,0,1]=4 860 B11R1.192 FC1=C(Cl)C=C(CCBr)C=C1 31594 [0,2,0,0,0,0|1,0,1]=4 861 B11R1.192 FC1=C(F)C=C(CCBr)C=C1 31603 [0,2,0,0,0,0|1,0,1]=4 862 B11R1.192 N#CCC1=CC(Br)=C(F)C=C1 26632 [0,2,0,0,0,0|1,0,1]=4 863 B11R1.192 N#CCC1=CC(Cl)=C(Cl)C=C1 16506 [0,2,0,0,0,0|1,0,1]=4 864 B11R1.192 N#CCC1=CC(Cl)=C(F)C=C1 18492 [0,2,0,0,0,0|1,0,1]=4 865 B11R1.192 N#CCC1=CC(F)=C(Br)C=C1 28849 [0,2,0,0,0,0|1,0,1]=4 866 B11R1.192 N#CCC1=CC(F)=C(Cl)C=C1 4299 [0,2,0,0,0,0|1,0,1]=4 867 B11R1.192 N#CCC1=CC(F)=C(F)C=C1 4157 [0,2,0,0,0,0|1,0,1]=4 868 B11R1.192 N#CCC1=CC(F)=C(I)C=C1 31431 [0,2,0,0,0,0|1,0,1]=4 869 B11R1.192 NCCC1=CC(F)=C(F)C=C1 31257 [0,2,0,0,0,0|1,0,1]=4 870 B11R1.192 NCCC1=CC(O)=C(O)C=C1 22727 [0,2,0,0,0,0|1,0,1]=4 871 B11R1.192 O=C=NC1=CC(Cl)=C(F)C=C1 5024 [0,2,0,0,0,0|1,0,1]=4 872 B11R1.192 O=C=NC1=CC(F)=C(F)C=C1 24910 [0,2,0,0,0,0|1,0,1]=4 873 B11R1.192 OCCC1=CC(F)=C(F)C=C1 31602 [0,2,0,0,0,0|0,0,2]=4 874 B11R1.192 OCCC1=CC=C(O)C(O)=C1 14271 [0,2,0,0,0,0|0,0,2]=4 875 B11R1.13 CC1=C(CC#N)C=CC=C1Br 31542 [0,2,0,0,0,0|1,0,1]=4 876 B11R1.13 CC1=C(CC#N)C=CC=C1I 31546 [0,2,0,0,0,0|1,0,1]=4 877 B11R1.13 CC1=C(N=C=O)C=CC=C1Cl 27293 [0,2,0,0,0,0|1,0,1]=4 878 B11R1.13 CC1=CC=CC(CC#N)=C1Br 31539 [0,2,0,0,0,0|1,0,1]=4 879 B11R1.13 CC1=CC=CC(CC#N)=C1C 10639 [0,2,0,0,0,0|1,0,1]=4 880 B11R1.13 N#CCC1=C(Cl)C(Cl)=CC=C1 16505 [0,2,0,0,0,0|1,0,1]=4 881 B11R1.13 N#CCC1=C(F)C(Cl)=CC=C1 4263 [0,2,0,0,0,0|1,0,1]=4 882 B11R1.13 N#CCC1=C(F)C(F)=CC=C1 1587 [0,2,0,0,0,0|1,0,1]=4 883 B11R1.13 O=C=NC1=C(Cl)C(F)=CC=C1 28891 [0,2,0,0,0,0|1,0,1]=4 884 B11R1.13 OCCC1=C(Cl)C(Cl)=CC=C1 31585 [0,2,0,0,0,0|0,0,2]=4 885 B11R1.17 CCCOC1=C(O)C=CC=C1 13203 [0,2,0,0,0,0|1,0,1]=4 886 B11R1.17 FC1=C(OCCBr)C=CC=C1 16330 [0,2,0,0,0,0|1,0,1]=4 887 B11R1.17 NCCOC1=C(F)C=CC=C1 19159 [0,2,0,0,0,0|1,0,1]=4 888 B11R1.17 O=CCCC1=C(Cl)C=CC=C1 24068 [0,2,0,0,0,0|0,0,0]=2 889 B11R1.17 O=CCCC1=C(F)C=CC=C1 31588 [0,2,0,0,0,0|0,0,0]=2 890 B11R1.41 COC1=C(CC=O)C=CC=C1 17222 [0,2,0,0,0,0|0,0,0]=2 891 B11R1.41 COC1=C(CCN)C=CC=C1 23973 [0,2,0,0,0,0|1,0,1]=4 892 B11R1.41 COC1=C(CCO)C=CC=C1 24377 [0,2,0,0,0,0|0,0,2]=4 893 B11R1.41 N#CC1=C(N=C=O)C=CC=C1 28894 [0,2,0,0,0,0|1,0,1]=4 894 B11R1.41 O=CC1=C(CCBr)C=CC=C1 19638 [0,2,0,0,0,0|1,0,1]=4 895 B11R1.86 CC(=O)CC1=C(Br)C=CC=C1 23388 [0,2,0,0,0,0|0,0,0]=2 896 B11R1.86 CC(=O)CC1=C(Cl)C=CC=C1 28140 [0,2,0,0,0,0|0,0,0]=2 897 B11R1.86 CC(=O)CC1=C(F)C=CC=C1 28149 [0,2,0,0,0,0|0,0,0]=2 898 B11R1.86 CC(=O)NC1=C(N)C=NC=C1 9601 [0,2,0,0,0,0|2,0,0]=4 899 B11R1.86 CC(=O)NC1=C(O)C=CC=C1 3830 [0,2,0,0,0,0|1,0,0]=3 900 B11R1.86 CC(=O)NC1=C(O)C=CN=C1 26792 [0,2,0,0,0,0|2,0,0]=4 901 B11R1.86 CC(=O)NC1=C(O)C=NC=C1 26790 [0,2,0,0,0,0|2,0,0]=4 902 B11R1.86 CC(=O)NC1=NC=CC=C1Br 25022 [0,2,0,0,0,0|2,0,0]=4 903 B11R1.86 CC(=O)NC1=NC=CC=C1O 26791 [0,2,0,0,0,0|2,0,0]=4 904 B11R1.86 CC(=O)OC1=C(Br)C=CC=C1 3055 [0,2,0,0,0,0|1,0,0]=3 905 B11R1.86 CC(=O)OC1=C(F)C=CC=C1 3059 [0,2,0,0,0,0|1,0,0]=3 906 B11R1.86 CC(=O)OC1=C(I)C=CC=C1 3062 [0,2,0,0,0,0|1,0,0]=3 907 B11R1.86 CC1=C(CC(=O)O)C=CC=C1 20124 [0,2,0,0,0,0|0,0,0]=2 908 B11R1.86 CC1=C(CC(N)=O)C=CC=C1 17571 [0,2,0,0,0,0|0,0,0]=2 909 B11R1.86 NC(=S)NC1=C(Br)C=CC=C1 14267 [0,2,0,0,0,0|1,1,0]=4 910 B11R1.86 O=C(O)CC1=C(Br)C=CC=C1 7214 [0,2,0,0,0,0|0,0,0]=2 911 B11R1.86 O=C(O)CC1=C(Cl)C=CC=C1 16509 [0,2,0,0,0,0|0,0,0]=2 912 B11R1.86 O=C(O)CC1=C(F)C=CC=C1 4164 [0,2,0,0,0,0|0,0,0]=2 913 B11R1.86 O=C(O)CC1=C(I)C=CC=C1 2552 [0,2,0,0,0,0|0,0,0]=2 914 B11R1.86 O=C(O)CC1=C(O)C=CC=C1 20030 [0,2,0,0,0,0|0,0,0]=2 915 B11R1.182 CC1=C(CC#N)C=C(Br)C=C1 31474 [0,2,0,0,0,0|1,0,1]=4 916 B11R1.182 CC1=C(CC#N)C=C(F)C=C1 4176 [0,2,0,0,0,0|1,0,1]=4 917 B11R1.182 CC1=CC(CC#N)=C(C)C=C1 21905 [0,2,0,0,0,0|1,0,1]=4 918 B11R1.182 CC1=CC(N=C=O)=C(Cl)C=C1 28892 [0,2,0,0,0,0|1,0,1]=4 919 B11R1.182 CC1=CC(N=C=O)=C(F)C=C1 8375 [0,2,0,0,0,0|1,0,1]=4 920 B11R1.182 N#CCC1=C(Br)C=CC(Br)=C1 31455 [0,2,0,0,0,0|1,0,1]=4 921 B11R1.182 N#CCC1=C(Br)C=CC(Cl)=C1 28845 [0,2,0,0,0,0|1,0,1]=4 922 B11R1.182 N#CCC1=C(Cl)C=CC(Br)=C1 31535 [0,2,0,0,0,0|1,0,1]=4 923 B11R1.182 N#CCC1=C(Cl)C=CC(Cl)=C1 25480 [0,2,0,0,0,0|1,0,1]=4 924 B11R1.182 N#CCC1=C(Cl)C=CC(F)=C1 4252 [0,2,0,0,0,0|1,0,1]=4 925 B11R1.182 N#CCC1=C(F)C=CC(Br)=C1 31441 [0,2,0,0,0,0|1,0,1]=4 926 B11R1.182 N#CCC1=C(F)C=CC(Cl)=C1 4304 [0,2,0,0,0,0|1,0,1]=4 927 B11R1.182 N#CCC1=C(F)C=CC(F)=C1 4097 [0,2,0,0,0,0|1,0,1]=4 928 B11R1.182 O=C=NC1=C(Cl)C=CC(Br)=C1 31596 [0,2,0,0,0,0|1,0,1]=4 929 B11R1.182 O=C=NC1=C(F)C=CC(Br)=C1 31611 [0,2,0,0,0,0|1,0,1]=4 930 B11R1.182 O=C=NC1=C(F)C=CC(F)=C1 5022 [0,2,0,0,0,0|1,0,1]=4 931 B11R1.222 CCC(C)C1=C(N)C=CC=C1 28284 [0,2,0,0,0,0|1,0,1]=4 932 B11R1.222 CCC(O)C1=C(F)C=CC=C1 19915 [0,2,0,0,0,0|1,0,1]=4 933 B11R1.222 NCC(O)C1=C(Cl)C=CC=C1 19367 [0,2,0,0,0,0|1,0,1]=4 934 B11R1.222 NC[C@@H](O)C1=C(Cl)C=CC=C1 19368 [0,2,0,0,0,0|1,0,1]=4 935 B11R1.222 O=CC(=O)C1=CC=CCC1=S 12133 [0,2,0,0,0,0|0,0,2]=4 936 B11R1.222 OC[C@@H](O)C1=C(Cl)C=CC=C1 16150 [0,2,0,0,0,0|0,0,2]=4 937 B11R1.605 CC1=CC=CC(C)=C1CC#N 12533 [0,2,0,0,0,0|1,0,1]=4 938 B11R1.605 CCCC1=C(O)C=CC=C1O 19795 [0,2,0,0,0,0|1,0,1]=4 939 B11R1.605 N#CCC1=C(Br)C=CC=C1Br 31484 [0,2,0,0,0,0|1,0,1]=4 940 B11R1.605 N#CCC1=C(Cl)C=CC=C1Cl 4313 [0,2,0,0,0,0|1,0,1]=4 941 B11R1.605 N#CCC1=C(Cl)C=CC=C1F 10416 [0,2,0,0,0,0|1,0,1]=4 942 B11R1.605 N#CCC1=C(F)C=CC=C1F 4152 [0,2,0,0,0,0|1,0,1]=4 943 B11R1.605 O=C=NC1=C(Cl)C=CC=C1Cl 23916 [0,2,0,0,0,0|1,0,1]=4 944 B11R1.605 O=C=NC1=C(Cl)C=CC=C1F 23921 [0,2,0,0,0,0|1,0,1]=4 945 B11R1.605 O=C=NC1=C(Cl)C=CC=C1F 26994 [0,2,0,0,0,0|1,0,1]=4 946 B11R1.605 O=C=NC1=C(F)C=CC=C1F 5023 [0,2,0,0,0,0|1,0,1]=4 947 B11R1.605 O=CCC1=C(Cl)N=CN=C1Cl 14180 [0,2,0,0,0,0|2,0,0]=4 948 B11R1.23 NCC(O)C1=CC(Br)=CC=C1 19650 [0,2,0,0,0,0|1,0,1]=4 949 B11R1.23 NC[C@@H](O)C1=CC(Cl)=CC=C1 19371 [0,2,0,0,0,0|1,0,1]=4 950 B11R1.23 NC[C@@H](O)C1=CC(Cl)=CC=C1 19372 [0,2,0,0,0,0|1,0,1]=4 951 B11R1.23 N[C@@H](CO)C1=CC(Cl)=CC=C1 5640 [0,2,0,0,0,0|0,0,2]=4 952 B11R1.23 O=CC(=O)C1=CC(Br)=CC=C1 12315 [0,2,0,0,0,0|0,0,1]=3 953 B11R1.23 O=CC(=O)C1=CC(Cl)=CC=C1 12320 [0,2,0,0,0,0|0,0,1]=3 954 B11R1.23 OC(CBr)C1=CC(Cl)=CC=C1 5669 [0,2,0,0,0,0|1,0,1]=4 955 B11R1.23 O[C@H](CCl)C1=CC(Cl)=CC=C1 15567 [0,2,0,0,0,0|1,0,1]=4 956 B11R1.24 ClC1=CC=CC(OCCBr)=C1 27485 [0,2,0,0,0,0|1,0,1]=4 957 B11R1.24 NCCOC1=CC(F)=CC=C1 19158 [0,2,0,0,0,0|1,0,1]=4 958 B11R1.24 O=C=NCC1=CC(F)=CC=C1 16233 [0,2,0,0,0,0|0,0,1]=3 959 B11R1.24 OCCCC1=CC(Cl)=CC=C1 3101 [0,2,0,0,0,0|0,0,2]=4 960 B11R1.34 CC1=CC(C)=CC(N=C=O)=C1 28895 [0,2,0,0,0,0|1,0,1]=4 961 B11R1.34 CCCC1=CC(F)=CC(F)=C1 26499 [0,2,0,0,0,0|1,0,1]=4 962 B11R1.34 N#CCC1=CC(Br)=CC(Cl)=C1 28846 [0,2,0,0,0,0|1,0,1]=4 963 B11R1.34 N#CCC1=CC(Cl)=CC(Cl)=C1 24011 [0,2,0,0,0,0|1,0,1]=4 964 B11R1.34 N#CCC1=CC(Cl)=CC(F)=C1 4280 [0,2,0,0,0,0|1,0,1]=4 965 B11R1.34 N#CCC1=CC(F)=CC(F)=C1 1588 [0,2,0,0,0,0|1,0,1]=4 966 B11R1.34 NCCC1=CC(Cl)=CC(Cl)=C1 24277 [0,2,0,0,0,0|1,0,1]=4 967 B11R1.34 O=C=NC1=CC(F)=CC(F)=C1 4454 [0,2,0,0,0,0|1,0,1]=4 968 B11R1.157 CC(=O)CC1=CC(Br)=CC=C1 25423 [0,2,0,0,0,0|0,0,0]=2 969 B11R1.157 CC(=O)CC1=CC(Cl)=CC=C1 19805 [0,2,0,0,0,0|0,0,0]=2 970 B11R1.157 CC(=O)CC1=CC(F)=CC=C1 35854 [0,2,0,0,0,0|0,0,0]=2 971 B11R1.157 CC(=O)NC1=CC(Br)=CN=C1 20022 [0,2,0,0,0,0|2,0,0]=4 972 B11R1.157 CC(=O)NC1=CC(C)=CC=C1 3340 [0,2,0,0,0,0|1,0,0]=3 973 B11R1.157 CC(=O)NC1=CC(C)=NC=C1 26051 [0,2,0,0,0,0|2,0,0]=4 974 B11R1.157 CC(=O)NC1=CC(Cl)=NC=C1 12418 [0,2,0,0,0,0|2,0,0]=4 975 B11R1.157 CC(=O)NC1=CC(I)=CC=C1 3291 [0,2,0,0,0,0|1,0,0]=3 976 B11R1.157 CC(=O)NC1=CC=CC(O)=C1 3835 [0,2,0,0,0,0|1,0,0]=3 977 B11R1.157 CC(=O)NC1=NC(Br)=CC=C1 25034 [0,2,0,0,0,0|2,0,0]=4 978 B11R1.157 CC(=O)NC1=NC(C)=CC=C1 25032 [0,2,0,0,0,0|2,0,0]=4 979 B11R1.157 CC(=O)NC1=NC=CC(C)=C1 16556 [0,2,0,0,0,0|2,0,0]=4 980 B11R1.157 CC(=O)OC1=CC(Cl)=CC=C1 3057 [0,2,0,0,0,0|1,0,0]=3 981 B11R1.157 CC(=O)OC1=CC(F)=CC=C1 3060 [0,2,0,0,0,0|1,0,0]=3 982 B11R1.157 CC(C)CC1=CC=CC(Br)=C1 34333 [0,2,0,0,0,0|1,0,1]=4 983 B11R1.157 CC1=CC=CC(CC(=O)O)=C1 28872 [0,2,0,0,0,0|0,0,0]=2 984 B11R1.157 FC(F)=CC1=CC=CC(Br)=C1 33253 [0,2,0,0,0,0|1,0,1]=4 985 B11R1.157 NC(=S)NC1=CC(Br)=CC=C1 14268 [0,2,0,0,0,0|1,1,0]=4 986 B11R1.157 NC1=CC=CC(CC(=O)O)=C1 1961 [0,2,0,0,0,0|0,0,0]=2 987 B11R1.157 O=C(O)CC1=CC(Br)=CC=C1 4244 [0,2,0,0,0,0|0,0,0]=2 988 B11R1.157 O=C(O)CC1=CC(Cl)=CC=C1 16510 [0,2,0,0,0,0|0,0,0]=2 989 B11R1.157 O=C(O)CC1=CC(F)=CC=C1 4167 [0,2,0,0,0,0|0,0,0]=2 990 B11R1.157 O=C(O)CC1=CC(I)=CC=C1 4195 [0,2,0,0,0,0|0,0,0]=2 991 B11R1.157 O=C(O)CC1=CC(O)=CC=C1 21773 [0,2,0,0,0,0|0,0,0]=2 992 B11R1.189 CNCC1=CC(OC)=CC=C1 31256 [0,2,0,0,0,0|2,0,0]=4 993 B11R1.189 COC1=CC=CC(CC#N)=C1 18497 [0,2,0,0,0,0|1,0,1]=4 994 B11R1.189 COC1=CC=CC(CCN)=C1 12794 [0,2,0,0,0,0|1,0,1]=4 995 B11R1.189 CSC1=CC=CC(N=C=O)=C1 14329 [0,2,0,0,0,0|1,0,1]=4 996 B11R1.189 N#CC1=CC=CC(N=C=O)=C1 5028 [0,2,0,0,0,0|1,0,1]=4 997 B11R1.7 C#CC(C)(O)C1=CC=CC=C1 21780 [0,2,0,0,0,0|1,0,1]=4 998 B11R1.7 C=CS(=O)(=O)C1=CC=CC=C1 15333 [0,2,0,0,0,0|2,0,0]=4 999 B11R1.7 FC(F)(CBr)C1=CC=CC=C1 10047 [0,2,0,0,0,0|1,0,1]=4 1000 B11R1.12 CC[C@H](CN)C1=CC=CC=C1 24721 [0,2,0,0,0,0|1,0,1]=4 1001 B11R1.12 COC(OC)C1=CC=CC=C1 21955 [0,2,0,0,0,0|2,0,0]=4 1002 B11R1.12 C\C=C(\C=O)C1=CC=CC=C1 10989 [0,2,0,0,0,0|0,0,1]=3 1003 B11R1.12 N#CC(C#N)C1=CC=CC=C1 10707 [0,2,0,0,0,0|1,0,1]=4 1004 B11R1.12 O=CC(C=O)c1ccncn1 6893 [0,2,0,0,0,0|2,0,0]=4 1005 B11R1.12 OCC(CO)C1=CC=CC=C1 20386 [0,2,0,0,0,0|0,0,2]=4 1006 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 24143 [0,2,0,0,0,0|1,0,1]=4 1007 B11R1.16 CNCC(=O)C1=CC=CC=C1 19826 [0,2,0,0,0,0|2,0,0]=4 1008 B11R1.16 C[C@@H](N=C=O)c1ccccc1 8096 [0,2,0,0,0,0|0,0,1]=3 1009 B11R1.16 C[C@H](N=C=O)C1=CC=CC=C1 8097 [0,2,0,0,0,0|0,0,1]=3 1010 B11R1.16 C\C=C\C(=O)C1=CC=CC=C1 14016 [0,2,0,0,0,0|1,0,1]=4 1011 B11R1.16 N#CCC(=O)C1=CC=CC=C1 14543 [0,2,0,0,0,0|1,0,1]=4 1012 B11R1.16 NC(CCO)C1=CC=CC=C1 13908 [0,2,0,0,0,0|0,0,2]=4 1013 B11R1.16 NCCC(=O)C1=CC=CC=C1 29292 [0,2,0,0,0,0|1,0,1]=4 1014 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 13854 [0,2,0,0,0,0|0,0,2]=4 1015 B11R1.16 N[C@H](CCO)C1=CC=CC=C1 13853 [0,2,0,0,0,0|0,0,2]=4 1016 B11R1.16 N[C@H](CCO)C1=CC=CC=C1 16121 [0,2,0,0,0,0|0,0,2]=4 1017 B11R1.16 O=C(CCCl)C1=CC=CC=C1 14089 [0,2,0,0,0,0|1,0,1]=4 1018 B11R1.16 O=C(CCF)C1=CC=CC=C1 26688 [0,2,0,0,0,0|1,0,1]=4 1019 B11R1.16 O=C=NC(=O)C1=CC=CC=C1 7575 [0,2,0,0,0,0|0,0,2]=4 1020 B11R1.16 OC(CCCl)C1=CC=CC=C1 14094 [0,2,0,0,0,0|1,0,1]=4 1021 B11R1.16 OC(CCCl)C1=CC=CC=C1 6275 [0,2,0,0,0,0|1,0,1]=4 1022 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 5738 [0,2,0,0,0,0|1,0,1]=4 1023 B11R1.36 C=C(C(=O)O)C1=CC=CC=C1 35902 [0,2,0,0,0,0|0,0,1]=3 1024 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 21081 [0,2,0,0,0,0|0,0,0]=2 1025 B11R1.36 C[C@@H](C(=O)O)c1ccccc1 6079 [0,2,0,0,0,0|0,0,0]=2 1026 B11R1.36 C[C@H](C(=O)O)c1ccccc1 6862 [0,2,0,0,0,0|0,0,0]=2 1027 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 16346 [0,2,0,0,0,0|0,0,0]=2 1028 B11R1.36 NC(=O)[C@@H](N)C1=CC=CC=C1 19408 [0,2,0,0,0,0|0,0,0]=2 1029 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 16811 [0,2,0,0,0,0|0,0,0]=2 1030 B11R1.36 N[C@@H](C(=O)O)c1ccccc1 11005 [0,2,0,0,0,0|0,0,0]=2 1031 B11R1.36 N[C@H](C(=O)O)c1ccccc1 23858 [0,2,0,0,0,0|0,0,0]=2 1032 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 6066 [0,2,0,0,0,0|0,0,0]=2 1033 B11R1.36 O=C(O)[C@@H](O)c1ccccc1 6067 [0,2,0,0,0,0|0,0,0]=2 1034 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 21083 [0,2,0,0,0,0|0,0,0]=2 1035 B11R1.28 BrCCCOC1=CC=CC=C1 3826 [0,2,0,0,0,0|1,0,1]=4 1036 B11R1.28 CCCCCC1=CC=CC=C1 16788 [0,2,0,0,0,0|1,0,1]=4 1037 B11R1.28 CCCCOC1=CC=CC=C1 12529 [0,2,0,0,0,0|1,0,1]=4 1038 B11R1.28 CCO\C=N\C1=CC=CC=C1 27347 [0,2,0,0,0,0|1,0,1]=4 1039 B11R1.28 N#CCCNC1=CC=CC=C1 2335 [0,2,0,0,0,0|1,0,1]=4 1040 B11R1.28 N#CCNCC1=CC=CC=C1 27728 [0,2,0,0,0,0|1,0,1]=4 1041 B11R1.28 O=C=NCCC1=CC=CC=C1 12396 [0,2,0,0,0,0|0,0,1]=3 1042 B11R1.28 OCCCCC1=CC=CC=C1 3100 [0,2,0,0,0,0|0,0,2]=4 1043 B11R1.28 OCCNCC1=CC=CC=C1 12960 [0,2,0,0,0,0|0,0,2]=4 1044 B11R1.28 OCCOCC1=CC=CC=C1 1939 [0,2,0,0,0,0|0,0,2]=4 1045 B11R1.28 OCCSCC1=CC=CC=C1 10801 [0,2,0,0,0,0|0,0,2]=4 1046 B11R1.40 C#CC(O)CC1=CC=CC=C1 35257 [0,2,0,0,0,0|0,0,2]=4 1047 B11R1.40 C#C[C@H](O)CC1=CC=CC=C1 35256 [0,2,0,0,0,0|0,0,2]=4 1048 B11R1.40 CCC(=O)NC1=CC=CC=C1 3338 [0,2,0,0,0,0|1,0,0]=3 1049 B11R1.40 CNC(=O)OC1=CC=CC=C1 35857 [0,2,0,0,0,0|1,0,0]=3 1050 B11R1.40 COC(=O)CC1=CC=CN=C1 13725 [0,2,0,0,0,0|1,0,0]=3 1051 B11R1.40 COC(=O)CC1=CC=NC=C1 18851 [0,2,0,0,0,0|1,0,0]=3 1052 B11R1.40 COC(=O)CC1=NC=CC=C1 17624 [0,2,0,0,0,0|1,0,0]=3 1053 B11R1.40 COC(=O)CC1=NC=CN=C1 27419 [0,2,0,0,0,0|2,0,0]=4 1054 B11R1.40 N#CC(O)CC1=CC=CC=C1 25761 [0,2,0,0,0,0|0,0,2]=4 1055 B11R1.40 N#C[C@@H](O)CC1=CC=CC=C1 17479 [0,2,0,0,0,0|0,0,2]=4 1056 B11R1.40 NC(CO)CC1=CC=CC=C1 30327 [0,2,0,0,0,0|0,0,2]=4 1057 B11R1.40 NNC(=S)NC1=CC=CC=C1 10747 [0,2,0,0,0,0|1,1,0]=4 1058 B11R1.40 N[C@@H](CO)Cc1ccccc1 6909 [0,2,0,0,0,0|0,0,2]=4 1059 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 5724 [0,2,0,0,0,0|0,0,2]=4 1060 B11R1.40 O=C(CF)NC1=CC=CC=C1 3369 [0,2,0,0,0,0|1,0,0]=3 1061 B11R1.91 CC(=O)COC1=CC=CC=C1 20265 [0,2,0,0,0,0|0,0,0]=2 1062 B11R1.91 CC(=O)NCC1=CC=CC=C1 19722 [0,2,0,0,0,0|0,0,0]=2 1063 B11R1.91 CC(=O)NCC1=CC=CN=C1 13219 [0,2,0,0,0,0|1,0,0]=3 1064 B11R1.91 CC(=O)NNC1=CC=CC=C1 7620 [0,2,0,0,0,0|1,0,0]=3 1065 B11R1.91 CC(=O)OCC1=CC=NC=C1 1302 [0,2,0,0,0,0|1,0,0]=3 1066 B11R1.91 CC(C)=NNC1=CC=CC=C1 19806 [0,2,0,0,0,0|2,0,0]=4 1067 B11R1.91 CC(N)CCC1=CC=CC=C1 21082 [0,2,0,0,0,0|1,0,1]=4 1068 B11R1.91 C[C@H](O)COC1=CC=CC=C1 15590 [0,2,0,0,0,0|0,0,2]=4 1069 B11R1.91 NC(=O)COC1=CC=CC=C1 12494 [0,2,0,0,0,0|0,0,0]=2 1070 B11R1.91 NC(=O)OCC1=CC=CC=C1 12421 [0,2,0,0,0,0|0,0,0]=2 1071 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 11078 [0,2,0,0,0,0|0,0,1]=3 1072 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 9173 [0,2,0,0,0,0|0,0,0]=2 1073 B11R1.91 O=C(Cl)COC1=CC=CC=C1 30326 [0,2,0,0,0,0|0,0,0]=2 1074 B11R1.91 O=C(Cl)OCC1=CC=CC=C1 12079 [0,2,0,0,0,0|0,0,0]=2 1075 B11R1.91 O=C(Cl)\C=C\C1=CC=CC=C1 25891 [0,2,0,0,0,0|0,0,1]=3 1076 B11R1.91 O=C(Cl)\C=C\C1=CC=CC=C1 36191 [0,2,0,0,0,0|0,0,1]=3 1077 B11R1.91 O=C(O)C#CC1=CC=CC=C1 13737 [0,2,0,0,0,0|0,0,1]=3 1078 B11R1.91 O=C(O)CCC1=CC=CC=C1 8185 [0,2,0,0,0,0|0,0,0]=2 1079 B11R1.91 O=C(O)CCC1=CC=CN=C1 8701 [0,2,0,0,0,0|1,0,0]=3 1080 B11R1.91 O=C(O)COC1=CC=NC=C1 34778 [0,2,0,0,0,0|1,0,0]=3 1081 B11R1.91 O=C(O)COC1=NC=CC=C1 18115 [0,2,0,0,0,0|1,0,0]=3 1082 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 13612 [0,2,0,0,0,0|0,0,1]=3 1083 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 16731 [0,2,0,0,0,0|1,0,1]=4 1084 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 3816 [0,2,0,0,0,0|1,0,1]=4 1085 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 9807 [0,2,0,0,0,0|1,0,1]=4 1086 B11R1.91 O=C([O-])\C=C\C1=CC=CC=C1 8142 [0,2,0,0,0,0|0,0,1]=3 1087 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 36133 [0,2,0,0,0,0|0,0,1]=3 1088 B11R1.91 O=[N+]([O-])\C=C\C1=CC=CC=C1 34899 [0,2,0,0,0,0|0,0,1]=3 1089 B11R1.91 OB(O)CCc1ccccc1 14049 [0,2,0,0,0,0|0,0,2]=4 1090 B11R1.91 OB(O)\C=C\C1=CC=CC=C1 33530 [0,2,0,0,0,0|0,0,2]=4 1091 B11R1.509 CS(=O)(=O)NC1=CC=CC=C1 22292 [0,2,0,0,0,0|2,0,0]=4 1092 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 21920 [0,2,0,0,0,0|2,0,0]=4 1093 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 26241 [0,2,0,0,0,0|2,0,0]=4 1094 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 7798 [0,2,0,0,0,0|2,0,0]=4 1095 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 7799 [0,2,0,0,0,0|2,0,0]=4 1096 B11R1.509 F[B-](F)(F)CC1=CC=CC=C1 11286 [0,2,0,0,0,0|2,0,0]=4 1097 B11R1.509 NS(=O)(=O)CC1=CC=CC=C1 10753 [0,2,0,0,0,0|1,0,0]=3 1098 B11R1.509 NS(=O)(=O)CC1=CC=CN=C1 19057 [0,2,0,0,0,0|2,0,0]=4 1099 B11R1.509 O=P(Cl)(Cl)OC1=CC=CC=C1 14039 [0,2,0,0,0,0|2,0,0]=4 1100 B11R1.509 O=S(=O)(Cl)CC1=CC=CC=C1 5036 [0,2,0,0,0,0|1,0,0]=3 1101 B9R1.5 O=C1C=CC=CC=C1O 6330 [0,0,1,1,0,0|1,0,1]=4 1102 B9R2.50 C1=CC=C2CCC2=C1 18889 [1,0,0,1,0,0|0,0,1]=3 1103 B11R2.18 C1=CC=C2C=CC=C2C=C1 6349 [0,0,0,1,0,1|1,0,1]=4 1104 B11R2.34 BrC1=CC=C([C@@H]2CO2)C=C1 5705 [0,1,0,1,0,0|0,0,2]=4 1105 B11R2.34 BrC1=CC=C([C@H]2CO2)C=C1 5704 [0,1,0,1,0,0|0,0,2]=4 1106 B11R2.34 FC1=CC=C([C@@H]2CO2)C=C1 18166 [0,1,0,1,0,0|0,0,2]=4 1107 B11R2.34 FC1=CC=C([C@H]2CO2)C=C1 18172 [0,1,0,1,0,0|0,0,2]=4 1108 B11R2.34 NC1=CC=C(C2CC2)C=C1 19700 [0,1,0,1,0,0|1,0,1]=4 1109 B11R2.34 OC1=CC=C(C2CC2)C=C1 17543 [0,1,0,1,0,0|1,0,1]=4 1110 B11R2.36 BrC1=CC2=C(C=C1)CCO2 28031 [0,1,0,1,0,0|0,0,2]=4 1111 B11R2.36 BrC1=CC2=C(C=C1)N=CO2 34235 [0,1,0,1,0,0|1,0,1]=4 1112 B11R2.36 BrC1=CC2=C(C=C1)N=CS2 21861 [0,1,0,1,0,0|1,1,0]=4 1113 B11R2.36 BrC1=CC2=C(C=C1)NC=N2 9618 [0,1,0,1,0,0|2,0,0]=4 1114 B11R2.36 BrC1=CC2=C(C=C1)OC=C2 22017 [0,1,0,1,0,0|0,0,2]=4 1115 B11R2.36 BrC1=CC2=C(C=C1)OC=N2 17145 [0,1,0,1,0,0|1,0,1]=4 1116 B11R2.36 BrC1=CC2=C(C=C1)OCC2 7055 [0,1,0,1,0,0|0,0,2]=4 1117 B11R2.36 BrC1=CC2=C(C=C1)SC=C2 15353 [0,1,0,1,0,0|0,1,1]=4 1118 B11R2.36 BrC1=CC2=C(C=C1)SC=C2 7752 [0,1,0,1,0,0|0,1,1]=4 1119 B11R2.36 BrC1=CC2=C(C=C1)SC=N2 21859 [0,1,0,1,0,0|1,1,0]=4 1120 B11R2.36 BrC1=CC2=C(C=CO2)C=C1 28003 [0,1,0,1,0,0|0,0,2]=4 1121 B11R2.36 BrC1=CC2=C(C=CS2)C=C1 27849 [0,1,0,1,0,0|0,1,1]=4 1122 B11R2.36 BrC1=CC=C2C=CNC2=C1 1662 [0,1,0,1,0,0|1,0,1]=4 1123 B11R2.36 BrC1=CC=C2CCCC2=C1 34435 [0,1,0,1,0,0|1,0,1]=4 1124 B11R2.36 BrC1=CC=C2CCNC2=C1 22223 [0,1,0,1,0,0|1,0,1]=4 1125 B11R2.36 BrC1=CC=C2CCNC2=C1 8320 [0,1,0,1,0,0|1,0,1]=4 1126 B11R2.36 BrC1=CC=C2CNCC2=C1 12928 [0,1,0,1,0,0|2,0,0]=4 1127 B11R2.36 BrC1=CC=C2CNCC2=C1 18079 [0,1,0,1,0,0|2,0,0]=4 1128 B11R2.36 BrC1=CC=C2NC=CC2=C1 1661 [0,1,0,1,0,0|1,0,1]=4 1129 B11R2.36 BrC1=CC=C2NCCC2=C1 7319 [0,1,0,1,0,0|1,0,1]=4 1130 B11R2.36 CC1=CC2=C(C=C1)N=CN2 7666 [0,1,0,1,0,0|2,0,0]=4 1131 B11R2.36 CC1=CC2=C(C=C1)OC=C2 28016 [0,1,0,1,0,0|0,0,2]=4 1132 B11R2.36 CC1=CC2=C(C=C1)OC=N2 8638 [0,1,0,1,0,0|1,0,1]=4 1133 B11R2.36 CC1=CC2=C(C=CS2)C=C1 15767 [0,1,0,1,0,0|0,1,1]=4 1134 B11R2.36 CC1=CC=C2C=CNC2=C1 7240 [0,1,0,1,0,0|1,0,1]=4 1135 B11R2.36 CC1=CC=C2CNCC2=C1 33793 [0,1,0,1,0,0|2,0,0]=4 1136 B11R2.36 CC1=CC=C2NC=CC2=C1 7238 [0,1,0,1,0,0|1,0,1]=4 1137 B11R2.36 ClC1=CC2=C(C=C1)N=CN2 7649 [0,1,0,1,0,0|2,0,0]=4 1138 B11R2.36 ClC1=CC2=C(C=C1)N=CS2 31808 [0,1,0,1,0,0|1,1,0]=4 1139 B11R2.36 ClC1=CC2=C(C=C1)OC=C2 28012 [0,1,0,1,0,0|0,0,2]=4 1140 B11R2.36 ClC1=CC2=C(C=C1)OC=N2 8712 [0,1,0,1,0,0|1,0,1]=4 1141 B11R2.36 ClC1=CC2=C(C=C1)SC=N2 21704 [0,1,0,1,0,0|1,1,0]=4 1142 B11R2.36 ClC1=CC2=C(C=CO2)C=C1 32456 [0,1,0,1,0,0|0,0,2]=4 1143 B11R2.36 ClC1=CC2=C(C=CS2)C=C1 32442 [0,1,0,1,0,0|0,1,1]=4 1144 B11R2.36 ClC1=CC=C2C=CNC2=C1 1669 [0,1,0,1,0,0|1,0,1]=4 1145 B11R2.36 ClC1=CC=C2CNCC2=C1 18083 [0,1,0,1,0,0|2,0,0]=4 1146 B11R2.36 ClC1=CC=C2CNCC2=C1 18084 [0,1,0,1,0,0|2,0,0]=4 1147 B11R2.36 ClC1=CC=C2NC=CC2=C1 1668 [0,1,0,1,0,0|1,0,1]=4 1148 B11R2.36 ClC1=CC=C2NCCC2=C1 2112 [0,1,0,1,0,0|1,0,1]=4 1149 B11R2.36 FC1=CC2=C(C=C1)N=CN2 6519 [0,1,0,1,0,0|2,0,0]=4 1150 B11R2.36 FC1=CC2=C(C=C1)OC=C2 16047 [0,1,0,1,0,0|0,0,2]=4 1151 B11R2.36 FC1=CC2=C(C=C1)OC=N2 21888 [0,1,0,1,0,0|1,0,1]=4 1152 B11R2.36 FC1=CC2=C(C=C1)OCC2 24189 [0,1,0,1,0,0|0,0,2]=4 1153 B11R2.36 FC1=CC2=C(C=C1)SC=C2 16046 [0,1,0,1,0,0|0,1,1]=4 1154 B11R2.36 FC1=CC2=C(C=CS2)C=C1 34529 [0,1,0,1,0,0|0,1,1]=4 1155 B11R2.36 FC1=CC=C2C=CNC2=C1 1682 [0,1,0,1,0,0|1,0,1]=4 1156 B11R2.36 FC1=CC=C2CCNC2=C1 34355 [0,1,0,1,0,0|1,0,1]=4 1157 B11R2.36 FC1=CC=C2CNCC2=C1 18062 [0,1,0,1,0,0|2,0,0]=4 1158 B11R2.36 FC1=CC=C2NC=CC2=C1 1681 [0,1,0,1,0,0|1,0,1]=4 1159 B11R2.36 IC1=CC2=C(C=C1)OCC2 27760 [0,1,0,1,0,0|0,0,2]=4 1160 B11R2.36 IC1=CC=C2NC=CC2=C1 27398 [0,1,0,1,0,0|1,0,1]=4 1161 B11R2.36 NC1=CC2=C(C=C1)N=CN2 20258 [0,1,0,1,0,0|2,0,0]=4 1162 B11R2.36 NC1=CC2=C(C=C1)N=CO2 17704 [0,1,0,1,0,0|1,0,1]=4 1163 B11R2.36 NC1=CC2=C(C=C1)N=CS2 15630 [0,1,0,1,0,0|1,1,0]=4 1164 B11R2.36 NC1=CC2=C(C=C1)OC=N2 34838 [0,1,0,1,0,0|1,0,1]=4 1165 B11R2.36 NC1=CC2=C(C=C1)OCC2 16462 [0,1,0,1,0,0|0,0,2]=4 1166 B11R2.36 NC1=CC2=C(C=C1)OCC2 20541 [0,1,0,1,0,0|0,0,2]=4 1167 B11R2.36 NC1=CC2=C(C=C1)SC=C2 27144 [0,1,0,1,0,0|0,1,1]=4 1168 B11R2.36 NC1=CC2=C(C=CS2)C=C1 34225 [0,1,0,1,0,0|0,1,1]=4 1169 B11R2.36 NC1=CC=C2C=CNC2=C1 7311 [0,1,0,1,0,0|1,0,1]=4 1170 B11R2.36 NC1=CC=C2CNCC2=C1 18060 [0,1,0,1,0,0|2,0,0]=4 1171 B11R2.36 NC1=CC=C2CNCC2=C1 26253 [0,1,0,1,0,0|2,0,0]=4 1172 B11R2.36 NC1=CC=C2NC=CC2=C1 7234 [0,1,0,1,0,0|1,0,1]=4 1173 B11R2.36 OC1=CC2=C(C=C1)CCO2 32303 [0,1,0,1,0,0|0,0,2]=4 1174 B11R2.36 OC1=CC2=C(C=C1)OC=C2 34267 [0,1,0,1,0,0|0,0,2]=4 1175 B11R2.36 OC1=CC2=C(C=CO2)C=C1 28025 [0,1,0,1,0,0|0,0,2]=4 1176 B11R2.36 OC1=CC2=C(C=CS2)C=C1 33018 [0,1,0,1,0,0|0,1,1]=4 1177 B11R2.36 OC1=CC=C2C=CNC2=C1 7261 [0,1,0,1,0,0|1,0,1]=4 1178 B11R2.36 OC1=CC=C2CNCC2=C1 17682 [0,1,0,1,0,0|2,0,0]=4 1179 B11R2.36 OC1=CC=C2NC=CC2=C1 7263 [0,1,0,1,0,0|1,0,1]=4 1180 B11R2.10 BrC1=CC2=C(C=CC=C2)O1 13460 [0,1,0,1,0,0|0,0,2]=4 1181 B11R2.10 BrC1=CC2=CC=CC=C2C1 9657 [0,1,0,1,0,0|1,0,0]=3 1182 B11R2.10 BrC1=NC2=C(C=CC=C2)N1 16113 [0,1,0,1,0,0|2,0,0]=4 1183 B11R2.10 BrC1=NC2=C(C=CC=C2)O1 33485 [0,1,0,1,0,0|1,0,1]=4 1184 B11R2.10 CC1=CC2=CC=CC=C2C1 5381 [0,1,0,1,0,0|1,0,0]=3 1185 B11R2.10 CC1=CC2=CC=CC=C2N1 7504 [0,1,0,1,0,0|1,0,1]=4 1186 B11R2.10 CC1=NC2=C(C=CC=C2)N1 7540 [0,1,0,1,0,0|2,0,0]=4 1187 B11R2.10 CC1=NC2=C(C=CC=C2)O1 8631 [0,1,0,1,0,0|1,0,1]=4 1188 B11R2.10 CC1=NC2=C(C=CC=C2)S1 10877 [0,1,0,1,0,0|1,1,0]=4 1189 B11R2.10 CC1CC2=CC=CC=C2N1 7439 [0,1,0,1,0,0|1,0,1]=4 1190 B11R2.10 ClC1=NC2=C(C=CC=C2)N1 7598 [0,1,0,1,0,0|2,0,0]=4 1191 B11R2.10 ClC1=NC2=C(C=CC=C2)O1 21885 [0,1,0,1,0,0|1,0,1]=4 1192 B11R2.10 ClC1=NC2=C(C=CC=C2)S1 21853 [0,1,0,1,0,0|1,1,0]=4 1193 B11R2.10 FC1=NC2=C(C=CC=C2)N1 13608 [0,1,0,1,0,0|2,0,0]=4 1194 B11R2.10 NC1=NC2=C(C=CC=C2)N1 9020 [0,1,0,1,0,0|2,0,0]=4 1195 B11R2.10 NC1=NC2=C(C=CC=C2)O1 17695 [0,1,0,1,0,0|1,0,1]=4 1196 B11R2.10 NC1=NC2=C(C=CC=C2)S1 13382 [0,1,0,1,0,0|1,1,0]=4 1197 B11R2.10 NC1CC2=CC=CC=C2C1 12929 [0,1,0,1,0,0|1,0,1]=4 1198 B11R2.10 NN1CC2=CC=CC=C2C1 27745 [0,1,0,1,0,0|2,0,0]=4 1199 B11R2.10 O=C1CC2=C(C=CC=C2)O1 22170 [0,1,0,1,0,0|0,0,0]=2 1200 B11R2.10 O=C1CC2=CC=CC=C2C1 9653 [0,1,0,1,0,0|0,0,0]=2 1201 B11R2.10 O=C1CC2=CC=CC=C2N1 7177 [0,1,0,1,0,0|0,0,0]=2 1202 B11R2.10 O=C1CC2=CC=CN=C2N1 35309 [0,1,0,1,0,0|1,0,0]=3 1203 B11R2.10 O=C1CC2=CC=NC=C2N1 17713 [0,1,0,1,0,0|1,0,0]=3 1204 B11R2.10 O=C1CN2C=CC=CC2=N1 23698 [0,1,0,1,0,0|1,0,0]=3 1205 B11R2.10 O=C1CN2C=CC=CC2=N1 23703 [0,1,0,1,0,0|1,0,0]=3 1206 B11R2.10 O=C1NC2=C(C=CC=C2)O1 8633 [0,1,0,1,0,0|1,0,0]=3 1207 B11R2.10 O=C1NC2=C(C=CC=C2)S1 21831 [0,1,0,1,0,0|1,0,0]=3 1208 B11R2.10 O=C1NC2=CC=CN=C2N1 18669 [0,1,0,1,0,0|2,0,0]=4 1209 B11R2.10 O=C1NC2=NC=CC=C2O1 11061 [0,1,0,1,0,0|2,0,0]=4 1210 B11R2.10 OC1=NC2=C(C=CC=C2)N1 7606 [0,1,0,1,0,0|1,0,1]=4 1211 B11R2.10 OC1CC2=CC=CC=C2C1 9652 [0,1,0,1,0,0|0,0,2]=4 1212 B11R2.10 SC1=NC2=C(C=CC=C2)N1 13567 [0,1,0,1,0,0|1,1,0]=4 1213 B11R2.10 SC1=NC2=C(C=CC=C2)O1 8630 [0,1,0,1,0,0|1,0,1]=4 1214 B11R2.10 SC1=NC2=C(C=CC=C2)S1 20577 [0,1,0,1,0,0|1,1,0]=4 1215 B11R2.20 C1=CC2=C(C=C1)COCC2 20553 [0,1,0,1,0,0|0,0,2]=4 1216 B11R2.20 C1=CC2=C(C=C1)OCCN2 22677 [0,1,0,1,0,0|0,0,2]=4 1217 B11R2.20 C1=CC2=C(C=C1)OCCO2 9750 [0,1,0,1,0,0|0,0,2]=4 1218 B11R2.20 C1=CC=C2C=NC=CC2=C1 7536 [0,1,0,1,0,0|1,0,1]=4 1219 B11R2.20 C1=CC=C2CNCCC2=C1 7253 [0,1,0,1,0,0|1,0,1]=4 1220 B11R2.20 C1=CC=C2NCCCC2=C1 7513 [0,1,0,1,0,0|1,0,1]=4 1221 B11R2.106 BrC1=C2C=CNC2=CC=C1 7449 [0,1,0,1,0,0|1,0,1]=4 1222 B11R2.106 BrC1=C2CCCC2=CC=C1 26432 [0,1,0,1,0,0|1,0,1]=4 1223 B11R2.106 BrC1=C2CCNC2=CC=C1 27757 [0,1,0,1,0,0|1,0,1]=4 1224 B11R2.106 BrC1=C2CNCC2=CC=C1 14849 [0,1,0,1,0,0|2,0,0]=4 1225 B11R2.106 BrC1=C2CNCC2=CC=C1 34251 [0,1,0,1,0,0|2,0,0]=4 1226 B11R2.106 BrC1=C2NC=CC2=CC=C1 7318 [0,1,0,1,0,0|1,0,1]=4 1227 B11R2.106 BrC1=CC=CC2=C1C=CO2 32457 [0,1,0,1,0,0|0,0,2]=4 1228 B11R2.106 BrC1=CC=CC2=C1C=CS2 27999 [0,1,0,1,0,0|0,1,1]=4 1229 B11R2.106 BrC1=CC=CC2=C1OC=C2 27867 [0,1,0,1,0,0|0,0,2]=4 1230 B11R2.106 BrC1=CC=CC2=C1OCC2 34424 [0,1,0,1,0,0|0,0,2]=4 1231 B11R2.106 BrC1=CC=CC2=C1SC=C2 34196 [0,1,0,1,0,0|0,1,1]=4 1232 B11R2.106 CC1=C2C=CNC2=CC=C1 7233 [0,1,0,1,0,0|1,0,1]=4 1233 B11R2.106 CC1=C2NC=CC2=CC=C1 7243 [0,1,0,1,0,0|1,0,1]=4 1234 B11R2.106 CC1=C2NCCC2=CC=C1 8319 [0,1,0,1,0,0|1,0,1]=4 1235 B11R2.106 CC1=CC=CC2=C1C=CS2 27877 [0,1,0,1,0,0|0,1,1]=4 1236 B11R2.106 CC1=CC=CC2=C1OC=C2 28017 [0,1,0,1,0,0|0,0,2]=4 1237 B11R2.106 CC1=CC=CC2=C1SC=C2 32444 [0,1,0,1,0,0|0,1,1]=4 1238 B11R2.106 ClC1=C2C=CNC2=CC=C1 7232 [0,1,0,1,0,0|1,0,1]=4 1239 B11R2.106 ClC1=C2CC=CC2=CC=C1 5384 [0,1,0,1,0,0|1,0,0]=3 1240 B11R2.106 ClC1=C2CCNC2=CC=C1 7324 [0,1,0,1,0,0|1,0,1]=4 1241 B11R2.106 ClC1=C2CNCC2=CC=C1 18080 [0,1,0,1,0,0|2,0,0]=4 1242 B11R2.106 ClC1=C2CNCC2=CC=C1 18082 [0,1,0,1,0,0|2,0,0]=4 1243 B11R2.106 ClC1=C2NC=CC2=CC=C1 3195 [0,1,0,1,0,0|1,0,1]=4 1244 B11R2.106 ClC1=CC=CC2=C1C=CO2 10451 [0,1,0,1,0,0|0,0,2]=4 1245 B11R2.106 ClC1=CC=CC2=C1C=CS2 32446 [0,1,0,1,0,0|0,1,1]=4 1246 B11R2.106 ClC1=CC=CC2=C1N=CS2 21694 [0,1,0,1,0,0|1,1,0]=4 1247 B11R2.106 ClC1=CC=CC2=C1OC=C2 28022 [0,1,0,1,0,0|0,0,2]=4 1248 B11R2.106 ClC1=CC=CC2=C1SC=C2 33790 [0,1,0,1,0,0|0,1,1]=4 1249 B11R2.106 FC1=C2C=CNC2=CC=C1 7297 [0,1,0,1,0,0|1,0,1]=4 1250 B11R2.106 FC1=C2CCNC2=CC=C1 16911 [0,1,0,1,0,0|1,0,1]=4 1251 B11R2.106 FC1=C2NC=CC2=CC=C1 7294 [0,1,0,1,0,0|1,0,1]=4 1252 B11R2.106 FC1=CC=CC2=C1C=CO2 15663 [0,1,0,1,0,0|0,0,2]=4 1253 B11R2.106 FC1=CC=CC2=C1C=CS2 28000 [0,1,0,1,0,0|0,1,1]=4 1254 B11R2.106 FC1=CC=CC2=C1OC=C2 28023 [0,1,0,1,0,0|0,0,2]=4 1255 B11R2.106 FC1=CC=CC2=C1SC=C2 32445 [0,1,0,1,0,0|0,1,1]=4 1256 B11R2.106 Fc1cccc2c1CNC2 17379 [0,1,0,1,0,0|2,0,0]=4 1257 B11R2.106 NC1=C2C=CNC2=CC=C1 7310 [0,1,0,1,0,0|1,0,1]=4 1258 B11R2.106 NC1=C2N=COC2=CC=C1 27744 [0,1,0,1,0,0|1,0,1]=4 1259 B11R2.106 NC1=CC=CC2=C1C=CS2 30428 [0,1,0,1,0,0|0,1,1]=4 1260 B11R2.106 NC1=CC=CC2=C1CCN2 25090 [0,1,0,1,0,0|1,0,1]=4 1261 B11R2.106 NC1=CC=CC2=C1CNC2 18061 [0,1,0,1,0,0|2,0,0]=4 1262 B11R2.106 NC1=CC=CC2=C1CNC2 22063 [0,1,0,1,0,0|2,0,0]=4 1263 B11R2.106 NC1=CC=CC2=C1CNC2 33256 [0,1,0,1,0,0|2,0,0]=4 1264 B11R2.106 NC1=CC=CC2=C1NC=N2 8065 [0,1,0,1,0,0|2,0,0]=4 1265 B11R2.106 NC1=CC=CC2=C1SC=C2 34224 [0,1,0,1,0,0|0,1,1]=4 1266 B11R2.106 OC1=C2C=CNC2=CC=C1 7262 [0,1,0,1,0,0|1,0,1]=4 1267 B11R2.106 OC1=C2N=COC2=CC=C1 34840 [0,1,0,1,0,0|1,0,1]=4 1268 B11R2.106 OC1=C2N=CSC2=CC=C1 15773 [0,1,0,1,0,0|1,1,0]=4 1269 B11R2.106 OC1=C2NC=CC2=CC=C1 7345 [0,1,0,1,0,0|1,0,1]=4 1270 B11R2.106 OC1=CC=CC2=C1C=CO2 28011 [0,1,0,1,0,0|0,0,2]=4 1271 B11R2.106 OC1=CC=CC2=C1C=CS2 16414 [0,1,0,1,0,0|0,1,1]=4 1272 B11R2.106 OC1=CC=CC2=C1CCC2 24129 [0,1,0,1,0,0|1,0,1]=4 1273 B11R2.106 OC1=CC=CC2=C1CCN2 25096 [0,1,0,1,0,0|1,0,1]=4 1274 B11R2.106 OC1=CC=CC2=C1CNC2 17684 [0,1,0,1,0,0|2,0,0]=4 1275 B11R2.106 OC1=CC=CC2=C1CNC2 24314 [0,1,0,1,0,0|2,0,0]=4 1276 B11R2.106 OC1=CC=CC2=C1OC=C2 32455 [0,1,0,1,0,0|0,0,2]=4 1277 B11R2.35 BrC1=CC(C2CC2)=CC=C1 22120 [0,1,0,1,0,0|1,0,1]=4 1278 B11R2.35 ClC1=CC=CC(C2CO2)=C1 32041 [0,1,0,1,0,0|0,0,2]=4 1279 B11R2.35 ClC1=CC=CC([C@@H]2CO2)=C1 5666 [0,1,0,1,0,0|0,0,2]=4 1280 B11R2.35 ClC1=CC=CC([C@H]2CO2)=C1 3901 [0,1,0,1,0,0|0,0,2]=4 1281 B11R2.1 BrC1=CNC2=CC=CC=C12 11087 [0,1,0,1,0,0|1,0,1]=4 1282 B11R2.1 BrC1=COC2=C1C=CC=C2 28021 [0,1,0,1,0,0|0,0,2]=4 1283 B11R2.1 BrC1=CSC2=C1C=CC=C2 13106 [0,1,0,1,0,0|0,1,1]=4 1284 B11R2.1 BrC1=NNC2=CC=CC=C21 11861 [0,1,0,1,0,0|2,0,0]=4 1285 B11R2.1 CC1=CCC2=CC=CC=C12 15081 [0,1,0,1,0,0|1,0,0]=3 1286 B11R2.1 CC1=CNC2=CC=CC=C12 7505 [0,1,0,1,0,0|1,0,1]=4 1287 B11R2.1 CC1=CSC2=C1C=CC=C2 13547 [0,1,0,1,0,0|0,1,1]=4 1288 B11R2.1 CC1=NNC2=CC=CC=C21 7820 [0,1,0,1,0,0|2,0,0]=4 1289 B11R2.1 CC1C=CC2=CC=CC=C21 15080 [0,1,0,1,0,0|1,0,0]=3 1290 B11R2.1 CC1CNC2=CC=CC=C21 15858 [0,1,0,1,0,0|1,0,1]=4 1291 B11R2.1 CN1C=CC2=CC=CC=C21 7436 [0,1,0,1,0,0|1,0,1]=4 1292 B11R2.1 CN1C=NC2=C1C=CC=C2 7613 [0,1,0,1,0,0|2,0,0]=4 1293 B11R2.1 ClC1=CNC2=CC=CC=C12 25672 [0,1,0,1,0,0|1,0,1]=4 1294 B11R2.1 ClC1=NOC2=C1C=CC=C2 8716 [0,1,0,1,0,0|2,0,0]=4 1295 B11R2.1 ClC1=NSC2=C1C=CC=C2 22324 [0,1,0,1,0,0|2,0,0]=4 1296 B11R2.1 IC1=NNC2=CC=CC=C21 11868 [0,1,0,1,0,0|2,0,0]=4 1297 B11R2.1 NC1=NCc2ccccc21 31698 [0,1,0,1,0,0|1,0,0]=3 1298 B11R2.1 NC1=NNC2=CC=CC=C21 11848 [0,1,0,1,0,0|2,0,0]=4 1299 B11R2.1 NC1=NOC2=C1C=CC=C2 14511 [0,1,0,1,0,0|2,0,0]=4 1300 B11R2.1 NC1CCC2=CC=CC=C21 10981 [0,1,0,1,0,0|1,0,1]=4 1301 B11R2.1 N[C@@H]1CCC2=CC=CC=C21 21741 [0,1,0,1,0,0|1,0,1]=4 1302 B11R2.1 N[C@H]1CCc2ccccc21 12577 [0,1,0,1,0,0|1,0,1]=4 1303 B11R2.1 N[C@H]1CCc2ccccc21 23853 [0,1,0,1,0,0|1,0,1]=4 1304 B11R2.1 O=C1CCC2=CC=CC=C12 5339 [0,1,0,1,0,0|0,0,0]=2 1305 B11R2.1 O=C1CCc2ncccc21 26187 [0,1,0,1,0,0|1,0,0]=3 1306 B11R2.1 O=C1COC2=C1C=CC=C2 7023 [0,1,0,1,0,0|0,0,0]=2 1307 B11R2.1 O=C1COC2=C1C=NC=C2 24176 [0,1,0,1,0,0|1,0,0]=3 1308 B11R2.1 O=C1COC2=CN=CC=C12 24154 [0,1,0,1,0,0|1,0,0]=3 1309 B11R2.1 O=C1COC2=NC=CC=C12 24153 [0,1,0,1,0,0|1,0,0]=3 1310 B11R2.1 O=C1CSC2=C1C=CC=C2 23797 [0,1,0,1,0,0|0,0,0]=2 1311 B11R2.1 O=C1NCC2=CC=CC=C12 25108 [0,1,0,1,0,0|0,0,0]=2 1312 B11R2.1 O=C1NN=C2C=CC=CN12 9282 [0,1,0,1,0,0|2,0,0]=4 1313 B11R2.1 O=C1NNC2=CC=CC=C12 28083 [0,1,0,1,0,0|1,0,0]=3 1314 B11R2.1 O=C1NSC2=C1C=CC=C2 15685 [0,1,0,1,0,0|1,0,0]=3 1315 B11R2.1 O=C1OCC2=CC=CC=C12 22169 [0,1,0,1,0,0|0,0,0]=2 1316 B11R2.1 O=C1SSC2=C1C=CC=C2 32197 [0,1,0,1,0,0|1,0,0]=3 1317 B11R2.1 OC1=CNC2=CC=CC=C12 7264 [0,1,0,1,0,0|0,0,2]=4 1318 B11R2.1 OC1=NOC2=C1C=CC=C2 27626 [0,1,0,1,0,0|1,0,1]=4 1319 B11R2.4 CC1CC1C2=CC=CC=C2 3150 [0,1,0,1,0,0|1,0,1]=4 1320 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 32003 [0,1,0,1,0,0|1,0,1]=4 1321 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 32001 [0,1,0,1,0,0|1,0,1]=4 1322 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 32002 [0,1,0,1,0,0|1,0,1]=4 1323 B11R2.40 NC1(C2=CC=CC=C2)CC1 13912 [0,1,0,1,0,0|1,0,1]=4 1324 B11R2.40 NC1(C2=CC=CC=C2)CC1 22892 [0,1,0,1,0,0|1,0,1]=4 1325 B11R2.238 C1=CC=C(C[C@H]2CN2)C=C1 20894 [0,1,0,1,0,0|1,0,1]=4 1326 B11R2.238 C1=CC=C(SC2CC2)C=C1 10736 [0,1,0,1,0,0|1,0,1]=4 1327 B7R1.1 BrCC1=CSC=C1 5295 [1,0,0,0,1,0|2,0,0]=4 1328 B7R1.1 CCC1=CC=CS1 5536 [1,0,0,0,1,0|1,0,1]=4 1329 B7R1.1 CCN1C=CC=C1 35829 [1,0,0,0,1,0|1,0,1]=4 1330 B7R1.1 NCC1=CC=CO1 6967 [1,0,0,0,1,0|2,0,0]=4 1331 B7R1.1 NCC1=CC=CS1 22278 [1,0,0,0,1,0|2,0,0]=4 1332 B7R1.1 NCC1=CC=CS1 5606 [1,0,0,0,1,0|2,0,0]=4 1333 B7R1.1 NCC1=CSC=C1 12348 [1,0,0,0,1,0|2,0,0]=4 1334 B7R1.1 O=CC1=CC=CN1 28928 [1,0,0,0,1,0|1,0,0]=3 1335 B7R1.1 O=CC1=CC=CN1 9140 [1,0,0,0,1,0|1,0,0]=3 1336 B7R1.1 O=CC1=CC=CO1 24739 [1,0,0,0,1,0|1,0,0]=3 1337 B7R1.1 O=CC1=CC=CS1 5153 [1,0,0,0,1,0|1,0,0]=3 1338 B7R1.1 O=CC1=CN=CS1 14219 [1,0,0,0,1,0|2,0,0]=4 1339 B7R1.1 O=CC1=CNC=C1 18051 [1,0,0,0,1,0|1,0,0]=3 1340 B7R1.1 O=CC1=CNC=N1 8980 [1,0,0,0,1,0|2,0,0]=4 1341 B7R1.1 O=CC1=CNN=C1 23658 [1,0,0,0,1,0|2,0,0]=4 1342 B7R1.1 O=CC1=CNN=C1 36037 [1,0,0,0,1,0|2,0,0]=4 1343 B7R1.1 O=CC1=CNN=C1 36038 [1,0,0,0,1,0|2,0,0]=4 1344 B7R1.1 O=CC1=COC=C1 6948 [1,0,0,0,1,0|1,0,0]=3 1345 B7R1.1 O=CC1=CSC=C1 5176 [1,0,0,0,1,0|1,0,0]=3 1346 B7R1.1 O=CC1=CSC=N1 13812 [1,0,0,0,1,0|2,0,0]=4 1347 B7R1.1 O=CC1=NC=CN1 8045 [1,0,0,0,1,0|2,0,0]=4 1348 B7R1.1 O=CC1=NC=CO1 17600 [1,0,0,0,1,0|2,0,0]=4 1349 B7R1.1 O=CC1=NC=CS1 9929 [1,0,0,0,1,0|2,0,0]=4 1350 B7R1.1 O=CC1=NNC=C1 14337 [1,0,0,0,1,0|2,0,0]=4 1351 B7R1.1 O=CC1=NOC=C1 14352 [1,0,0,0,1,0|2,0,0]=4 1352 B7R1.1 O=C[C-]1C=CC=C1 18830 [1,0,0,0,1,0|0,0,1]=3 1353 B7R1.1 OCC1=CC=CO1 19996 [1,0,0,0,1,0|1,0,1]=4 1354 B7R1.1 OCC1=CC=CS1 5603 [1,0,0,0,1,0|1,0,1]=4 1355 B7R1.1 OCC1=COC=C1 6951 [1,0,0,0,1,0|1,0,1]=4 1356 B7R1.1 OCC1=CSC=C1 8860 [1,0,0,0,1,0|1,0,1]=4 1357 B7R1.1 SCC1=CC=CO1 10566 [1,0,0,0,1,0|1,1,0]=4