0 B10R1.4 BrCCC1=C(Br)C=CC=C1 16179 [0,0,0,0,0,0|1,0,0]=1 1 B10R1.4 CC1=C(CC#N)C=CC=C1 32359 [0,0,0,0,0,0|1,0,2]=3 2 B10R1.4 CC1=C(N=C=S)C=CC=C1 10740 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.4 CCCC1=C(N)C=CC=C1 13695 [0,0,0,0,0,0|2,0,0]=2 4 B10R1.4 CCNC1=C(N)C=CN=C1 26071 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.4 CCNC1=NC=CC=C1N 6237 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.4 CCOC1=C(Br)C=CC=C1 3136 [0,0,0,0,0,0|2,0,0]=2 7 B10R1.4 CCOC1=C(Br)C=CN=C1 6659 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.4 CCOC1=C(Br)C=NC=C1 34353 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.4 CCOC1=C(C)C=CC=C1 3179 [0,0,0,0,0,0|3,0,0]=3 10 B10R1.4 CCOC1=C(Cl)C=CC=C1 3158 [0,0,0,0,0,0|2,1,0]=3 11 B10R1.4 CCOC1=C(Cl)C=CN=C1 6666 [0,0,0,0,0,0|3,1,0]=4 12 B10R1.4 CCOC1=C(F)C=CC=C1 3173 [0,0,0,0,0,0|2,1,0]=3 13 B10R1.4 CCOC1=C(N)C=CN=C1 27756 [0,0,0,0,0,0|4,0,0]=4 14 B10R1.4 CCOC1=C(N)C=NC=C1 9610 [0,0,0,0,0,0|4,0,0]=4 15 B10R1.4 CCOC1=C(O)C=CC=C1 9505 [0,0,0,0,0,0|3,0,0]=3 16 B10R1.4 CCOC1=C(S)C=CC=C1 10527 [0,0,0,0,0,0|3,0,0]=3 17 B10R1.4 CCOC1=CC=CN=C1Br 5890 [0,0,0,0,0,0|3,0,0]=3 18 B10R1.4 CCOC1=CC=CN=C1C 34423 [0,0,0,0,0,0|4,0,0]=4 19 B10R1.4 CCOC1=CC=CN=C1N 5585 [0,0,0,0,0,0|4,0,0]=4 20 B10R1.4 CCOC1=NC=CC=C1Br 6233 [0,0,0,0,0,0|3,0,0]=3 21 B10R1.4 CCOC1=NC=CC=C1I 9248 [0,0,0,0,0,0|3,1,0]=4 22 B10R1.4 CCSC1=C(Br)C=CC=C1 10531 [0,0,0,0,0,0|2,0,0]=2 23 B10R1.4 COCC1=C(Br)C=CC=C1 34659 [0,0,0,0,0,0|2,0,0]=2 24 B10R1.4 ClC1=C(CCBr)C=CC=C1 31587 [0,0,0,0,0,0|1,1,0]=2 25 B10R1.4 FC1=C(N=C=S)C=CC=C1 5002 [0,0,0,0,0,0|2,1,1]=4 26 B10R1.4 N#CCC1=C(Br)C=CC=C1 12554 [0,0,0,0,0,0|0,0,2]=2 27 B10R1.4 N#CCC1=C(Cl)C=CC=C1 16503 [0,0,0,0,0,0|0,1,2]=3 28 B10R1.4 N#CCC1=C(F)C=CC=C1 2611 [0,0,0,0,0,0|0,1,2]=3 29 B10R1.4 N#CCC1=C(N)C=CC=C1 24591 [0,0,0,0,0,0|1,0,2]=3 30 B10R1.4 NC1=C(CCO)C=CC=C1 12462 [0,0,0,0,0,0|2,0,0]=2 31 B10R1.4 NCCC1=C(Br)C=CC=C1 22238 [0,0,0,0,0,0|0,0,0]=0 32 B10R1.4 NCCC1=C(F)C=CC=C1 27340 [0,0,0,0,0,0|0,1,0]=1 33 B10R1.4 NCCC1=C(O)C=CC=C1 16394 [0,0,0,0,0,0|1,0,0]=1 34 B10R1.4 NNCC1=C(F)C=CC=C1 35094 [0,0,0,0,0,0|1,1,0]=2 35 B10R1.4 NNCc1ccccc1F 34909 [0,0,0,0,0,0|1,1,0]=2 36 B10R1.4 N\N=C\C1=CC=CC=C1O 22926 [0,0,0,0,0,0|2,0,1]=3 37 B10R1.4 Nc1ccccc1CCO 22282 [0,0,0,0,0,0|2,0,0]=2 38 B10R1.4 O=C=NC1=C(F)C=CC=C1 4455 [0,0,0,0,0,0|2,1,1]=4 39 B10R1.4 OCCC1=C(Br)C=CC=C1 16178 [0,0,0,0,0,0|1,0,0]=1 40 B10R1.4 OCCC1=C(O)C=CC=C1 31971 [0,0,0,0,0,0|2,0,0]=2 41 B10R1.4 O\N=C\C1=C(Br)C=CC=C1 3731 [0,0,0,0,0,0|2,0,1]=3 42 B10R1.4 O\N=C\C1=C(F)C=CC=C1 28431 [0,0,0,0,0,0|2,1,1]=4 43 B10R1.4 O\N=C\C1=CN=CC=C1Br 22124 [0,0,0,0,0,0|3,0,1]=4 44 B10R1.4 S=C=NC1=C(Br)C=CC=C1 35890 [0,0,0,0,0,0|2,0,1]=3 45 B10R1.4 S=C=NC1=C(I)C=CC=C1 35920 [0,0,0,0,0,0|2,1,1]=4 46 B9R1.8 BrCCC1=CC=CN=C1 21399 [1,0,0,0,0,0|2,0,0]=3 47 B9R1.8 BrCCC1=NC=CC=C1 23421 [1,0,0,0,0,0|2,0,0]=3 48 B9R1.8 Br[Mg]CC1=CC=CC=C1 20182 [1,0,0,0,0,0|2,0,0]=3 49 B9R1.8 C=CCC1=CC=CC=C1 29358 [1,0,0,0,0,0|1,0,1]=3 50 B9R1.8 C=CSC1=CC=CC=C1 10778 [1,0,0,0,0,0|2,0,1]=4 51 B9R1.8 CCCC1=CC=CC=C1 10852 [1,0,0,0,0,0|1,0,0]=2 52 B9R1.8 CCCC1=CC=NC=C1 15021 [1,0,0,0,0,0|2,0,0]=3 53 B9R1.8 CCOC1=CC=NC=C1 1125 [1,0,0,0,0,0|3,0,0]=4 54 B9R1.8 CCOC1=NC=CC=C1 1126 [1,0,0,0,0,0|3,0,0]=4 55 B9R1.8 CCSC1=CC=CC=C1 10773 [1,0,0,0,0,0|2,0,0]=3 56 B9R1.8 CNCC1=CC=CC=C1 19910 [1,0,0,0,0,0|2,0,0]=3 57 B9R1.8 CNCC1=CC=CC=C1 25218 [1,0,0,0,0,0|2,0,0]=3 58 B9R1.8 CNCC1=CC=CC=C1 5801 [1,0,0,0,0,0|2,0,0]=3 59 B9R1.8 COCC1=CC=CC=C1 15300 [1,0,0,0,0,0|2,0,0]=3 60 B9R1.8 ClCCC1=CC=CC=C1 26674 [1,0,0,0,0,0|1,0,0]=2 61 B9R1.8 ClCCC1=CC=CN=C1 23929 [1,0,0,0,0,0|2,0,0]=3 62 B9R1.8 ClCSC1=CC=CC=C1 10735 [1,0,0,0,0,0|2,0,0]=3 63 B9R1.8 N#CCC1=NC=CC=C1 9302 [1,0,0,0,0,0|1,0,2]=4 64 B9R1.8 NCCC1=CC=CN=C1 13196 [1,0,0,0,0,0|1,0,0]=2 65 B9R1.8 NCCC1=CC=CN=C1 14084 [1,0,0,0,0,0|1,0,0]=2 66 B9R1.8 NCCC1=CC=NC=C1 13447 [1,0,0,0,0,0|1,0,0]=2 67 B9R1.8 NCCC1=NC=CC=C1 2592 [1,0,0,0,0,0|1,0,0]=2 68 B9R1.8 NCCc1ccccc1 21077 [1,0,0,0,0,0|0,0,0]=1 69 B9R1.8 NNCC1=CC=CC=C1 29056 [1,0,0,0,0,0|1,0,0]=2 70 B9R1.8 NOCC1=CC=CC=C1 24804 [1,0,0,0,0,0|1,0,0]=2 71 B9R1.8 NOCC1=CC=CC=C1 7095 [1,0,0,0,0,0|1,0,0]=2 72 B9R1.8 OCCC1=NC=CC=C1 2593 [1,0,0,0,0,0|2,0,0]=3 73 B9R1.8 ONCC1=CC=CC=C1 25520 [1,0,0,0,0,0|2,0,0]=3 74 B9R1.8 S=C=NC1=CC=CC=C1 18702 [1,0,0,0,0,0|2,0,1]=4 75 B9R1.8 SCCC1=CC=CN=C1 25052 [1,0,0,0,0,0|2,0,0]=3 76 B9R1.8 SCCC1=NC=CC=C1 25015 [1,0,0,0,0,0|2,0,0]=3 77 B9R1.15 BrCC1=C(Br)C=CC=C1 16915 [1,0,0,0,0,0|1,0,0]=2 78 B9R1.15 BrCC1=C(I)C=CC=C1 14812 [1,0,0,0,0,0|1,1,0]=3 79 B9R1.15 BrCC1=CC=CN=C1Br 22284 [1,0,0,0,0,0|2,0,0]=3 80 B9R1.15 C#CC1=C(Cl)C=CC=C1 2550 [1,0,0,0,0,0|0,1,2]=4 81 B9R1.15 C=CC1=C(Br)C=CC=C1 23975 [1,0,0,0,0,0|0,0,2]=3 82 B9R1.15 CC1=C(C#N)C=CC=C1 25285 [1,0,0,0,0,0|1,0,2]=4 83 B9R1.15 CC1=C(CCl)C=CC=C1 7487 [1,0,0,0,0,0|2,0,0]=3 84 B9R1.15 CC1=C(CN)C=CC=C1 10197 [1,0,0,0,0,0|1,0,0]=2 85 B9R1.15 CC1=C(CO)C=NC=C1 34710 [1,0,0,0,0,0|3,0,0]=4 86 B9R1.15 CC1=C(NN)C=CC=C1 22584 [1,0,0,0,0,0|2,0,0]=3 87 B9R1.15 CC1=C(NN)C=CC=C1 6396 [1,0,0,0,0,0|2,0,0]=3 88 B9R1.15 CC1=CC=CC=C1C=O 15511 [1,0,0,0,0,0|2,0,1]=4 89 B9R1.15 CC1=NC=CC=C1CCl 26692 [1,0,0,0,0,0|3,0,0]=4 90 B9R1.15 CC1=NC=CC=C1CO 26693 [1,0,0,0,0,0|3,0,0]=4 91 B9R1.15 CCC1=C(Br)C=CC=C1 3770 [1,0,0,0,0,0|0,0,0]=1 92 B9R1.15 CCC1=C(I)C=CC=C1 3876 [1,0,0,0,0,0|0,1,0]=2 93 B9R1.15 CCC1=C(N)C=CC=C1 20945 [1,0,0,0,0,0|1,0,0]=2 94 B9R1.15 CCC1=C(N)C=CC=C1 21080 [1,0,0,0,0,0|1,0,0]=2 95 B9R1.15 CCC1=C(O)C=CC=C1 3871 [1,0,0,0,0,0|1,0,0]=2 96 B9R1.15 CCC1=C(S)C=CC=C1 6844 [1,0,0,0,0,0|1,0,0]=2 97 B9R1.15 CCC1=CC=CN=C1N 35166 [1,0,0,0,0,0|2,0,0]=3 98 B9R1.15 CCC1=CN=CN=C1Cl 21456 [1,0,0,0,0,0|2,1,0]=4 99 B9R1.15 CCC1=NC=CC=C1Br 27958 [1,0,0,0,0,0|1,0,0]=2 100 B9R1.15 CCC1=NC=CN=C1C 8611 [1,0,0,0,0,0|3,0,0]=4 101 B9R1.15 CCC1=NC=CN=C1Cl 32165 [1,0,0,0,0,0|2,1,0]=4 102 B9R1.15 CCC1=NC=NC=C1F 17408 [1,0,0,0,0,0|2,1,0]=4 103 B9R1.15 CC[N+]1=C(Br)C=CC=C1 35190 [1,0,0,0,0,0|1,0,0]=2 104 B9R1.15 CNC1=C(F)C=CC=C1 15527 [1,0,0,0,0,0|1,1,0]=3 105 B9R1.15 CNC1=C(N)C=NC=C1 29063 [1,0,0,0,0,0|3,0,0]=4 106 B9R1.15 CNC1=CC=CC=C1N 14987 [1,0,0,0,0,0|2,0,0]=3 107 B9R1.15 COC1=C(Br)C=CC=C1 3725 [1,0,0,0,0,0|1,0,0]=2 108 B9R1.15 COC1=C(Br)C=CN=C1 20095 [1,0,0,0,0,0|2,0,0]=3 109 B9R1.15 COC1=C(Br)C=CN=C1 34713 [1,0,0,0,0,0|2,0,0]=3 110 B9R1.15 COC1=C(Br)C=NC=C1 6686 [1,0,0,0,0,0|2,0,0]=3 111 B9R1.15 COC1=C(C)C=CN=C1 34674 [1,0,0,0,0,0|3,0,0]=4 112 B9R1.15 COC1=C(Cl)C=CC=C1 3614 [1,0,0,0,0,0|1,1,0]=3 113 B9R1.15 COC1=C(Cl)C=CN=C1 33677 [1,0,0,0,0,0|2,1,0]=4 114 B9R1.15 COC1=C(Cl)C=NC=C1 6687 [1,0,0,0,0,0|2,1,0]=4 115 B9R1.15 COC1=C(F)C=CC=C1 3473 [1,0,0,0,0,0|1,1,0]=3 116 B9R1.15 COC1=C(I)C=CC=C1 3898 [1,0,0,0,0,0|1,1,0]=3 117 B9R1.15 COC1=C(I)C=NC=C1 34558 [1,0,0,0,0,0|2,1,0]=4 118 B9R1.15 COC1=C(N)C=CN=C1 27755 [1,0,0,0,0,0|3,0,0]=4 119 B9R1.15 COC1=C(O)C=CN=C1 34289 [1,0,0,0,0,0|3,0,0]=4 120 B9R1.15 COC1=C(S)C=CC=C1 6816 [1,0,0,0,0,0|2,0,0]=3 121 B9R1.15 COC1=CC=CC=C1O 26545 [1,0,0,0,0,0|2,0,0]=3 122 B9R1.15 COC1=CC=CN=C1Br 5916 [1,0,0,0,0,0|2,0,0]=3 123 B9R1.15 COC1=CC=CN=C1C 6637 [1,0,0,0,0,0|3,0,0]=4 124 B9R1.15 COC1=CC=CN=C1Cl 6146 [1,0,0,0,0,0|2,1,0]=4 125 B9R1.15 COC1=CC=CN=C1N 28123 [1,0,0,0,0,0|3,0,0]=4 126 B9R1.15 COC1=CC=CN=C1O 6543 [1,0,0,0,0,0|3,0,0]=4 127 B9R1.15 COC1=NC=CC=C1Br 1180 [1,0,0,0,0,0|2,0,0]=3 128 B9R1.15 COC1=NC=CC=C1C 6594 [1,0,0,0,0,0|3,0,0]=4 129 B9R1.15 COC1=NC=CC=C1Cl 1189 [1,0,0,0,0,0|2,1,0]=4 130 B9R1.15 COC1=NC=CC=C1F 10624 [1,0,0,0,0,0|2,1,0]=4 131 B9R1.15 COC1=NC=CC=C1I 6586 [1,0,0,0,0,0|2,1,0]=4 132 B9R1.15 COC1=NC=CC=C1N 1269 [1,0,0,0,0,0|3,0,0]=4 133 B9R1.15 COC1=NC=CN=C1Br 32150 [1,0,0,0,0,0|3,0,0]=4 134 B9R1.15 CSC1=C(Br)C=CC=C1 10648 [1,0,0,0,0,0|1,0,0]=2 135 B9R1.15 CSC1=C(C)C=CC=C1 10730 [1,0,0,0,0,0|2,0,0]=3 136 B9R1.15 CSC1=C(Cl)C=CC=C1 10643 [1,0,0,0,0,0|1,1,0]=3 137 B9R1.15 CSC1=C(F)C=CC=C1 10638 [1,0,0,0,0,0|1,1,0]=3 138 B9R1.15 CSC1=C(I)C=CC=C1 10668 [1,0,0,0,0,0|1,1,0]=3 139 B9R1.15 CSC1=C(N)C=CC=C1 10633 [1,0,0,0,0,0|2,0,0]=3 140 B9R1.15 CSC1=C(O)C=CC=C1 10666 [1,0,0,0,0,0|2,0,0]=3 141 B9R1.15 ClC1=C(CBr)C=CC=C1 12482 [1,0,0,0,0,0|1,1,0]=3 142 B9R1.15 ClCC1=C(Cl)C=CC=C1 10203 [1,0,0,0,0,0|1,1,0]=3 143 B9R1.15 ClCC1=NC=CC=C1Cl 27217 [1,0,0,0,0,0|2,1,0]=4 144 B9R1.15 FC1=C(CBr)C=CC=C1 10383 [1,0,0,0,0,0|1,1,0]=3 145 B9R1.15 FC1=C(CCl)C=CC=C1 2094 [1,0,0,0,0,0|1,1,0]=3 146 B9R1.15 N#CC1=C(Br)C=CC=C1 3744 [1,0,0,0,0,0|0,0,2]=3 147 B9R1.15 N#CC1=C(Br)C=CN=C1 17650 [1,0,0,0,0,0|1,0,2]=4 148 B9R1.15 N#CC1=C(Br)C=NC=C1 17105 [1,0,0,0,0,0|1,0,2]=4 149 B9R1.15 N#CC1=C(Br)N=CC=C1 35805 [1,0,0,0,0,0|1,0,2]=4 150 B9R1.15 N#CC1=C(F)C=CC=C1 1578 [1,0,0,0,0,0|0,1,2]=4 151 B9R1.15 N#CC1=C(I)C=CC=C1 3932 [1,0,0,0,0,0|0,1,2]=4 152 B9R1.15 N#CC1=C(O)C=CC=C1 4803 [1,0,0,0,0,0|1,0,2]=4 153 B9R1.15 N#CC1=CC=CC=C1N 13630 [1,0,0,0,0,0|1,0,2]=4 154 B9R1.15 N#CC1=NC=CC=C1Br 2263 [1,0,0,0,0,0|1,0,2]=4 155 B9R1.15 NC1=C(C=O)C=CC=C1 15692 [1,0,0,0,0,0|2,0,1]=4 156 B9R1.15 NC1=C(CO)C=CC=C1 7478 [1,0,0,0,0,0|2,0,0]=3 157 B9R1.15 NC1=C(CO)C=CN=C1 7692 [1,0,0,0,0,0|3,0,0]=4 158 B9R1.15 NC1=C(CO)C=NC=C1 26901 [1,0,0,0,0,0|3,0,0]=4 159 B9R1.15 NC1=CC=CN=C1CO 35900 [1,0,0,0,0,0|3,0,0]=4 160 B9R1.15 NC1=NC=CC=C1CO 7688 [1,0,0,0,0,0|3,0,0]=4 161 B9R1.15 NCC1=C(Br)C=CC=C1 20398 [1,0,0,0,0,0|0,0,0]=1 162 B9R1.15 NCC1=C(Br)C=CC=C1 3749 [1,0,0,0,0,0|0,0,0]=1 163 B9R1.15 NCC1=C(Cl)C=CC=C1 5800 [1,0,0,0,0,0|0,1,0]=2 164 B9R1.15 NCC1=C(Cl)C=CC=C1 6155 [1,0,0,0,0,0|0,1,0]=2 165 B9R1.15 NCC1=C(F)C=CC=C1 4415 [1,0,0,0,0,0|0,1,0]=2 166 B9R1.15 NCC1=C(N)C=CC=C1 23363 [1,0,0,0,0,0|1,0,0]=2 167 B9R1.15 NCC1=C(O)C=CC=C1 7383 [1,0,0,0,0,0|1,0,0]=2 168 B9R1.15 NCC1=CC=CN=C1Cl 17749 [1,0,0,0,0,0|1,1,0]=3 169 B9R1.15 NCC1=NC=CC=C1O 34602 [1,0,0,0,0,0|2,0,0]=3 170 B9R1.15 NCC1=NC=CN=C1Cl 32131 [1,0,0,0,0,0|2,1,0]=4 171 B9R1.15 NNC1=C(Br)C=CC=C1 4463 [1,0,0,0,0,0|1,0,0]=2 172 B9R1.15 NNC1=C(Cl)C=CC=C1 4482 [1,0,0,0,0,0|1,1,0]=3 173 B9R1.15 NNC1=C(F)C=CC=C1 3347 [1,0,0,0,0,0|1,1,0]=3 174 B9R1.15 NNC1=C(F)C=CC=C1 3350 [1,0,0,0,0,0|1,1,0]=3 175 B9R1.15 NNC1=NC=CC=C1Cl 6444 [1,0,0,0,0,0|2,1,0]=4 176 B9R1.15 NNC1=NC=CC=C1F 19894 [1,0,0,0,0,0|2,1,0]=4 177 B9R1.15 O=CC1=C(Br)C=CC=C1 3727 [1,0,0,0,0,0|1,0,1]=3 178 B9R1.15 O=CC1=C(Br)C=CN=C1 5061 [1,0,0,0,0,0|2,0,1]=4 179 B9R1.15 O=CC1=C(Br)C=NC=C1 5063 [1,0,0,0,0,0|2,0,1]=4 180 B9R1.15 O=CC1=C(F)C=CC=C1 3476 [1,0,0,0,0,0|1,1,1]=4 181 B9R1.15 O=CC1=C(I)C=CC=C1 3914 [1,0,0,0,0,0|1,1,1]=4 182 B9R1.15 O=CC1=CC=CN=C1Br 5057 [1,0,0,0,0,0|2,0,1]=4 183 B9R1.15 O=CC1=NC=CC=C1Br 15122 [1,0,0,0,0,0|2,0,1]=4 184 B9R1.15 OCC1=C(Br)C=CC=C1 3746 [1,0,0,0,0,0|1,0,0]=2 185 B9R1.15 OCC1=C(Cl)C=CC=C1 3625 [1,0,0,0,0,0|1,1,0]=3 186 B9R1.15 OCC1=C(Cl)C=CN=C1 12981 [1,0,0,0,0,0|2,1,0]=4 187 B9R1.15 OCC1=C(F)C=CC=C1 3485 [1,0,0,0,0,0|1,1,0]=3 188 B9R1.15 OCC1=C(F)C=NC=C1 23891 [1,0,0,0,0,0|2,1,0]=4 189 B9R1.15 OCC1=C(O)C=CC=C1 21869 [1,0,0,0,0,0|2,0,0]=3 190 B9R1.15 OCC1=CC=CN=C1Cl 12984 [1,0,0,0,0,0|2,1,0]=4 191 B9R1.15 OCC1=CC=CN=C1F 7351 [1,0,0,0,0,0|2,1,0]=4 192 B9R1.15 OCC1=NC=CC=C1F 15108 [1,0,0,0,0,0|2,1,0]=4 193 B9R1.15 OCC1=NC=CC=C1O 4075 [1,0,0,0,0,0|3,0,0]=4 194 B9R1.15 SCC1=C(Cl)C=CC=C1 6836 [1,0,0,0,0,0|1,1,0]=3 195 B9R1.15 SCc1ccccc1Br 6847 [1,0,0,0,0,0|1,0,0]=2 196 B11R1.13 CC1=C(CC#N)C=CC=C1Br 31542 [0,1,0,0,0,0|1,0,2]=4 197 B11R1.13 CC1=C(CC#N)C=CC=C1I 31546 [0,1,0,0,0,0|1,0,2]=4 198 B11R1.13 CC1=CC=CC(CC#N)=C1Br 31539 [0,1,0,0,0,0|0,0,2]=3 199 B11R1.13 CC1=CC=CC(CC#N)=C1C 10639 [0,1,0,0,0,0|1,0,2]=4 200 B11R1.13 CCOC1=C(F)C(F)=CC=C1 2326 [0,1,0,0,0,0|2,1,0]=4 201 B11R1.13 CCOC1=CC=CC(Br)=C1I 19689 [0,1,0,0,0,0|2,1,0]=4 202 B11R1.13 N#CCC1=C(Cl)C(Cl)=CC=C1 16505 [0,1,0,0,0,0|0,1,2]=4 203 B11R1.13 N#CCC1=C(F)C(Cl)=CC=C1 4263 [0,1,0,0,0,0|0,1,2]=4 204 B11R1.13 N#CCC1=C(F)C(F)=CC=C1 1587 [0,1,0,0,0,0|0,1,2]=4 205 B11R1.13 OCCC1=C(Cl)C(Cl)=CC=C1 31585 [0,1,0,0,0,0|1,1,0]=3 206 B11R1.17 CCCOC1=C(O)C=CC=C1 13203 [0,1,0,0,0,0|2,0,0]=3 207 B11R1.17 CCCOC1=NC=CC=C1I 31888 [0,1,0,0,0,0|2,1,0]=4 208 B11R1.17 CCCOC1=NC=CC=C1N 31889 [0,1,0,0,0,0|3,0,0]=4 209 B11R1.17 FC1=C(OCCBr)C=CC=C1 16330 [0,1,0,0,0,0|1,1,0]=3 210 B11R1.17 NCCOC1=C(F)C=CC=C1 19159 [0,1,0,0,0,0|0,1,0]=2 211 B11R1.17 O=CCCC1=C(Cl)C=CC=C1 24068 [0,1,0,0,0,0|1,1,0]=3 212 B11R1.17 O=CCCC1=C(F)C=CC=C1 31588 [0,1,0,0,0,0|1,1,0]=3 213 B11R1.41 CCOC1=C(C#N)C=CC=C1 4773 [0,1,0,0,0,0|3,0,0]=4 214 B11R1.41 CCOC1=C(C=O)C=CC=C1 9726 [0,1,0,0,0,0|3,0,0]=4 215 B11R1.41 CCOC1=C(CN)C=CC=C1 7400 [0,1,0,0,0,0|3,0,0]=4 216 B11R1.41 CCOC1=C(OC)C=CC=C1 3067 [0,1,0,0,0,0|3,0,0]=4 217 B11R1.41 COC1=C(CC=O)C=CC=C1 17222 [0,1,0,0,0,0|2,0,1]=4 218 B11R1.41 COC1=C(CCN)C=CC=C1 23973 [0,1,0,0,0,0|1,0,0]=2 219 B11R1.41 COC1=C(CCO)C=CC=C1 24377 [0,1,0,0,0,0|2,0,0]=3 220 B11R1.41 O=CC1=C(CCBr)C=CC=C1 19638 [0,1,0,0,0,0|2,0,0]=3 221 B11R1.81 CC1=C(CC#N)C=CC(Br)=C1 31471 [0,1,0,0,0,0|1,0,2]=4 222 B11R1.81 CC1=C(CC#N)C=CC(F)=C1 31533 [0,1,0,0,0,0|1,0,2]=4 223 B11R1.81 CC1=CC(F)=C(CC#N)C=C1 4171 [0,1,0,0,0,0|0,1,2]=4 224 B11R1.81 CCCC1=C(O)C=C(O)C=C1 25562 [0,1,0,0,0,0|2,0,0]=3 225 B11R1.81 CCOC1=C(Cl)C=C(Cl)C=C1 9513 [0,1,0,0,0,0|2,1,0]=4 226 B11R1.81 CCOC1=C(Cl)C=C(F)C=C1 3155 [0,1,0,0,0,0|2,1,0]=4 227 B11R1.81 CCOC1=C(F)C=C(Cl)C=C1 3163 [0,1,0,0,0,0|2,1,0]=4 228 B11R1.81 CCOC1=C(N)C=C(N)C=C1 3168 [0,1,0,0,0,0|3,0,0]=4 229 B11R1.81 CCOC1=NC=C(Br)C=C1Br 6231 [0,1,0,0,0,0|3,0,0]=4 230 B11R1.81 CNCC1=C(Cl)C=C(Cl)C=C1 22904 [0,1,0,0,0,0|2,1,0]=4 231 B11R1.81 COCC1=C(N)C=C(Br)C=C1 31052 [0,1,0,0,0,0|3,0,0]=4 232 B11R1.81 FC1=CC(Br)=C(N=C=S)C=C1 5018 [0,1,0,0,0,0|2,0,1]=4 233 B11R1.81 N#CCC1=C(Br)C=C(Br)C=C1 28860 [0,1,0,0,0,0|0,0,2]=3 234 B11R1.81 N#CCC1=C(Br)C=C(F)C=C1 16802 [0,1,0,0,0,0|0,0,2]=3 235 B11R1.81 N#CCC1=C(Cl)C=C(Br)C=C1 31548 [0,1,0,0,0,0|0,1,2]=4 236 B11R1.81 N#CCC1=C(Cl)C=C(Cl)C=C1 9014 [0,1,0,0,0,0|0,1,2]=4 237 B11R1.81 N#CCC1=C(Cl)C=C(F)C=C1 4251 [0,1,0,0,0,0|0,1,2]=4 238 B11R1.81 N#CCC1=C(F)C=C(Br)C=C1 10413 [0,1,0,0,0,0|0,1,2]=4 239 B11R1.81 N#CCC1=C(F)C=C(Cl)C=C1 4296 [0,1,0,0,0,0|0,1,2]=4 240 B11R1.81 N#CCC1=C(F)C=C(F)C=C1 1586 [0,1,0,0,0,0|0,1,2]=4 241 B11R1.81 OCCC1=C(Cl)C=C(F)C=C1 31586 [0,1,0,0,0,0|1,1,0]=3 242 B11R1.86 CC(=O)CC1=C(Br)C=CC=C1 23388 [0,1,0,0,0,0|1,0,1]=3 243 B11R1.86 CC(=O)CC1=C(Cl)C=CC=C1 28140 [0,1,0,0,0,0|1,1,1]=4 244 B11R1.86 CC(=O)CC1=C(F)C=CC=C1 28149 [0,1,0,0,0,0|1,1,1]=4 245 B11R1.86 CC(=O)OC1=C(Br)C=CC=C1 3055 [0,1,0,0,0,0|2,0,1]=4 246 B11R1.86 CC(C)OC1=C(Br)C=CC=C1 3828 [0,1,0,0,0,0|2,0,0]=3 247 B11R1.86 CC(C)OC1=C(O)C=CC=C1 13205 [0,1,0,0,0,0|3,0,0]=4 248 B11R1.86 CC(C)OC1=NC=CC=C1Br 6576 [0,1,0,0,0,0|3,0,0]=4 249 B11R1.86 CC(C)SC1=C(N)C=CC=C1 31985 [0,1,0,0,0,0|3,0,0]=4 250 B11R1.86 CC1=C(CC(=O)O)C=CC=C1 20124 [0,1,0,0,0,0|2,0,1]=4 251 B11R1.86 CC1=C(CC(N)=O)C=CC=C1 17571 [0,1,0,0,0,0|1,0,1]=3 252 B11R1.86 FC(F)OC1=C(Br)C=CC=C1 25489 [0,1,0,0,0,0|2,0,0]=3 253 B11R1.86 NC(=S)NC1=C(Br)C=CC=C1 14267 [0,1,0,0,0,0|1,0,1]=3 254 B11R1.86 NC1=C(OC(F)F)C=CC=C1 8465 [0,1,0,0,0,0|3,0,0]=4 255 B11R1.86 O=C(O)CC1=C(Br)C=CC=C1 7214 [0,1,0,0,0,0|1,0,1]=3 256 B11R1.86 O=C(O)CC1=C(Cl)C=CC=C1 16509 [0,1,0,0,0,0|1,1,1]=4 257 B11R1.86 O=C(O)CC1=C(F)C=CC=C1 4164 [0,1,0,0,0,0|1,1,1]=4 258 B11R1.86 O=C(O)CC1=C(I)C=CC=C1 2552 [0,1,0,0,0,0|1,1,1]=4 259 B11R1.86 O=C(O)CC1=C(O)C=CC=C1 20030 [0,1,0,0,0,0|2,0,1]=4 260 B11R1.182 CC1=C(CC#N)C=C(Br)C=C1 31474 [0,1,0,0,0,0|1,0,2]=4 261 B11R1.182 CC1=C(CC#N)C=C(F)C=C1 4176 [0,1,0,0,0,0|1,0,2]=4 262 B11R1.182 CC1=CC(CC#N)=C(C)C=C1 21905 [0,1,0,0,0,0|1,0,2]=4 263 B11R1.182 CCOC1=C(Br)C=CC(N)=C1 1919 [0,1,0,0,0,0|2,0,0]=3 264 B11R1.182 CCOC1=C(Cl)C=CC(F)=C1 3157 [0,1,0,0,0,0|2,1,0]=4 265 B11R1.182 CCOC1=C(F)C=CC(Cl)=C1 3166 [0,1,0,0,0,0|2,1,0]=4 266 B11R1.182 N#CCC1=C(Br)C=CC(Br)=C1 31455 [0,1,0,0,0,0|0,0,2]=3 267 B11R1.182 N#CCC1=C(Br)C=CC(Cl)=C1 28845 [0,1,0,0,0,0|0,0,2]=3 268 B11R1.182 N#CCC1=C(Cl)C=CC(Br)=C1 31535 [0,1,0,0,0,0|0,1,2]=4 269 B11R1.182 N#CCC1=C(Cl)C=CC(Cl)=C1 25480 [0,1,0,0,0,0|0,1,2]=4 270 B11R1.182 N#CCC1=C(Cl)C=CC(F)=C1 4252 [0,1,0,0,0,0|0,1,2]=4 271 B11R1.182 N#CCC1=C(F)C=CC(Br)=C1 31441 [0,1,0,0,0,0|0,1,2]=4 272 B11R1.182 N#CCC1=C(F)C=CC(Cl)=C1 4304 [0,1,0,0,0,0|0,1,2]=4 273 B11R1.182 N#CCC1=C(F)C=CC(F)=C1 4097 [0,1,0,0,0,0|0,1,2]=4 274 B11R1.182 S=C=NC1=C(Br)C=CC(Br)=C1 3982 [0,1,0,0,0,0|2,0,1]=4 275 B11R1.222 CCC(=O)C1=C(F)C=CC=C1 19917 [0,1,0,0,0,0|1,1,1]=4 276 B11R1.222 CCC(=O)C1=C(O)C=CC=C1 21422 [0,1,0,0,0,0|2,0,1]=4 277 B11R1.222 CCC(C)C1=C(N)C=CC=C1 28284 [0,1,0,0,0,0|2,0,0]=3 278 B11R1.222 CCC(O)C1=C(F)C=CC=C1 19915 [0,1,0,0,0,0|1,1,0]=3 279 B11R1.222 COC(=O)C1=C(Br)C=CC=C1 3956 [0,1,0,0,0,0|2,0,1]=4 280 B11R1.222 NC1=C(C(=O)CBr)C=CC=C1 29244 [0,1,0,0,0,0|2,0,1]=4 281 B11R1.222 NCC(=O)C1=C(Cl)C=CC=C1 29248 [0,1,0,0,0,0|0,1,1]=3 282 B11R1.222 NCC(=O)C1=C(F)C=CC=C1 29130 [0,1,0,0,0,0|0,1,1]=3 283 B11R1.222 NCC(O)C1=C(Cl)C=CC=C1 19367 [0,1,0,0,0,0|0,1,0]=2 284 B11R1.222 NC[C@@H](O)C1=C(Cl)C=CC=C1 19368 [0,1,0,0,0,0|0,1,0]=2 285 B11R1.222 NNC(=O)C1=C(Br)C=CC=C1 3742 [0,1,0,0,0,0|1,0,1]=3 286 B11R1.222 NNC(=O)C1=C(F)C=CC=C1 3481 [0,1,0,0,0,0|1,1,1]=4 287 B11R1.222 NNC(=O)C1=CC=CC=C1O 22912 [0,1,0,0,0,0|2,0,1]=4 288 B11R1.222 O=C(CBr)C1=C(F)C=CC=C1 16835 [0,1,0,0,0,0|1,1,1]=4 289 B11R1.222 O=C(CBr)c1ccccc1Cl 11080 [0,1,0,0,0,0|1,1,1]=4 290 B11R1.222 OC[C@@H](O)C1=C(Cl)C=CC=C1 16150 [0,1,0,0,0,0|1,1,0]=3 291 B11R1.605 CC1=CC=CC(C)=C1CC#N 12533 [0,1,0,0,0,0|1,0,2]=4 292 B11R1.605 CCCC1=C(O)C=CC=C1O 19795 [0,1,0,0,0,0|2,0,0]=3 293 B11R1.605 N#CCC1=C(Br)C=CC=C1Br 31484 [0,1,0,0,0,0|0,0,2]=3 294 B11R1.605 N#CCC1=C(Cl)C=CC=C1Cl 4313 [0,1,0,0,0,0|0,1,2]=4 295 B11R1.605 N#CCC1=C(Cl)C=CC=C1F 10416 [0,1,0,0,0,0|0,1,2]=4 296 B11R1.605 N#CCC1=C(F)C=CC=C1F 4152 [0,1,0,0,0,0|0,1,2]=4 297 B11R2.10 BrC1=CC2=CC=CC=C2C1 9657 [0,0,0,1,0,0|2,0,1]=4 298 B11R2.10 CC1=CC2=CC=CC=C2C1 5381 [0,0,0,1,0,0|2,0,1]=4 299 B11R2.10 CC1CC2=CC=CC=C2N1 7439 [0,0,0,1,0,0|2,0,0]=3 300 B11R2.10 NC1=NC2=C(C=CC=C2)N1 9020 [0,0,0,1,0,0|2,0,1]=4 301 B11R2.10 NC1=NC2=C(C=CC=C2)O1 17695 [0,0,0,1,0,0|2,0,1]=4 302 B11R2.10 NC1=NC2=C(C=CC=C2)S1 13382 [0,0,0,1,0,0|2,0,1]=4 303 B11R2.10 NC1CC2=CC=CC=C2C1 12929 [0,0,0,1,0,0|1,0,0]=2 304 B11R2.10 NN1CC2=CC=CC=C2C1 27745 [0,0,0,1,0,0|2,0,0]=3 305 B11R2.10 O=C1CC2=C(C=CC=C2)O1 22170 [0,0,0,1,0,0|2,0,1]=4 306 B11R2.10 O=C1CC2=CC=CC=C2C1 9653 [0,0,0,1,0,0|2,0,1]=4 307 B11R2.10 O=C1CC2=CC=CC=C2N1 7177 [0,0,0,1,0,0|2,0,1]=4 308 B11R2.10 OC1CC2=CC=CC=C2C1 9652 [0,0,0,1,0,0|2,0,0]=3 309 B11R2.20 C1=CC2=C(C=C1)COCC2 20553 [0,0,0,1,0,0|2,0,0]=3 310 B11R2.20 C1=CC2=C(C=C1)OCCN2 22677 [0,0,0,1,0,0|3,0,0]=4 311 B11R2.20 C1=CC2=C(C=C1)OCCO2 9750 [0,0,0,1,0,0|3,0,0]=4 312 B11R2.20 C1=CC2=C(CCCC2)N=C1 5891 [0,0,0,1,0,0|3,0,0]=4 313 B11R2.20 C1=CC2=C(CCNC2)N=C1 15462 [0,0,0,1,0,0|2,0,0]=3 314 B11R2.20 C1=CC=C2CNCCC2=C1 7253 [0,0,0,1,0,0|1,0,0]=2 315 B11R2.20 C1=CC=C2NCCCC2=C1 7513 [0,0,0,1,0,0|2,0,0]=3 316 B11R2.20 C1=CN=C2CCCOC2=C1 27198 [0,0,0,1,0,0|3,0,0]=4 317 B11R2.20 C1=NC=C2CCCNC2=C1 27821 [0,0,0,1,0,0|3,0,0]=4 318 B11R2.20 C1=NC=NC2=C1CCNC2 34166 [0,0,0,1,0,0|3,0,0]=4 319 B11R2.20 C1=NC=NC2=C1CNCC2 15503 [0,0,0,1,0,0|3,0,0]=4 320 B11R2.20 C1=NC=NC2=C1CNCC2 33335 [0,0,0,1,0,0|3,0,0]=4 321 B11R2.106 BrC1=C2C=CNC2=CC=C1 7449 [0,0,0,1,0,0|0,0,2]=3 322 B11R2.106 BrC1=C2C=CNC2=CN=C1 24020 [0,0,0,1,0,0|1,0,2]=4 323 B11R2.106 BrC1=C2C=CNC2=NC=C1 14706 [0,0,0,1,0,0|1,0,2]=4 324 B11R2.106 BrC1=C2C=NNC2=CC=C1 7834 [0,0,0,1,0,0|1,0,1]=3 325 B11R2.106 BrC1=C2C=NNC2=CN=C1 33384 [0,0,0,1,0,0|2,0,1]=4 326 B11R2.106 BrC1=C2C=NNC2=NC=C1 20574 [0,0,0,1,0,0|2,0,1]=4 327 B11R2.106 BrC1=C2CCCC2=CC=C1 26432 [0,0,0,1,0,0|1,0,0]=2 328 B11R2.106 BrC1=C2CCNC2=CC=C1 27757 [0,0,0,1,0,0|0,0,0]=1 329 B11R2.106 BrC1=C2CNCC2=CC=C1 14849 [0,0,0,1,0,0|2,0,0]=3 330 B11R2.106 BrC1=C2CNCC2=CC=C1 34251 [0,0,0,1,0,0|2,0,0]=3 331 B11R2.106 BrC1=C2NC=CC2=CC=C1 7318 [0,0,0,1,0,0|2,0,1]=4 332 B11R2.106 BrC1=C2NN=CC2=CC=C1 14406 [0,0,0,1,0,0|3,0,0]=4 333 B11R2.106 BrC1=CC=CC2=C1C=CO2 32457 [0,0,0,1,0,0|1,0,2]=4 334 B11R2.106 BrC1=CC=CC2=C1C=CS2 27999 [0,0,0,1,0,0|1,0,2]=4 335 B11R2.106 BrC1=CC=CC2=C1OC=C2 27867 [0,0,0,1,0,0|2,0,1]=4 336 B11R2.106 BrC1=CC=CC2=C1OCC2 34424 [0,0,0,1,0,0|2,0,0]=3 337 B11R2.106 BrC1=CC=CC2=C1OCO2 32045 [0,0,0,1,0,0|2,0,0]=3 338 B11R2.106 BrC1=CC=CC2=C1SC=C2 34196 [0,0,0,1,0,0|2,0,1]=4 339 B11R2.106 BrC1=NC=CC2=C1C=NN2 32590 [0,0,0,1,0,0|2,0,1]=4 340 B11R2.106 CC1=C2C=CNC2=CC=C1 7233 [0,0,0,1,0,0|1,0,2]=4 341 B11R2.106 CC1=C2NCCC2=CC=C1 8319 [0,0,0,1,0,0|3,0,0]=4 342 B11R2.106 ClC1=C2C=CNC2=CC=C1 7232 [0,0,0,1,0,0|0,1,2]=4 343 B11R2.106 ClC1=C2C=NNC2=CC=C1 21945 [0,0,0,1,0,0|1,1,1]=4 344 B11R2.106 ClC1=C2CC=CC2=CC=C1 5384 [0,0,0,1,0,0|1,1,1]=4 345 B11R2.106 ClC1=C2CCCC2=NC=C1 26170 [0,0,0,1,0,0|2,1,0]=4 346 B11R2.106 ClC1=C2CCNC2=CC=C1 7324 [0,0,0,1,0,0|0,1,0]=2 347 B11R2.106 ClC1=C2CNCC2=CC=C1 18080 [0,0,0,1,0,0|2,1,0]=4 348 B11R2.106 ClC1=C2CNCC2=CC=C1 18082 [0,0,0,1,0,0|2,1,0]=4 349 B11R2.106 ClC1=NC=CC2=C1CCN2 15464 [0,0,0,1,0,0|1,1,0]=3 350 B11R2.106 ClC1=NC=NC2=C1CCN2 15008 [0,0,0,1,0,0|2,1,0]=4 351 B11R2.106 FC1=C2C=CNC2=CC=C1 7297 [0,0,0,1,0,0|0,1,2]=4 352 B11R2.106 FC1=C2CCNC2=CC=C1 16911 [0,0,0,1,0,0|0,1,0]=2 353 B11R2.106 Fc1cccc2c1CNC2 17379 [0,0,0,1,0,0|2,1,0]=4 354 B11R2.106 IC1=C2C=NNC2=CC=C1 21944 [0,0,0,1,0,0|1,1,1]=4 355 B11R2.106 NC1=C2C=CNC2=CC=C1 7310 [0,0,0,1,0,0|1,0,2]=4 356 B11R2.106 NC1=C2OCOC2=CC=C1 35364 [0,0,0,1,0,0|3,0,0]=4 357 B11R2.106 NC1=CC=CC2=C1C=NN2 20573 [0,0,0,1,0,0|2,0,1]=4 358 B11R2.106 NC1=CC=CC2=C1CCN2 25090 [0,0,0,1,0,0|1,0,0]=2 359 B11R2.106 NC1=CC=CC2=C1CNC2 18061 [0,0,0,1,0,0|3,0,0]=4 360 B11R2.106 NC1=CC=CC2=C1CNC2 22063 [0,0,0,1,0,0|3,0,0]=4 361 B11R2.106 NC1=CC=CC2=C1CNC2 33256 [0,0,0,1,0,0|3,0,0]=4 362 B11R2.106 OC1=C2C=CNC2=CC=C1 7262 [0,0,0,1,0,0|1,0,2]=4 363 B11R2.106 OC1=CC=CC2=C1CCC2 24129 [0,0,0,1,0,0|2,0,0]=3 364 B11R2.106 OC1=CC=CC2=C1CCN2 25096 [0,0,0,1,0,0|1,0,0]=2 365 B11R2.106 OC1=CC=CC2=C1CNC2 17684 [0,0,0,1,0,0|3,0,0]=4 366 B11R2.106 OC1=CC=CC2=C1CNC2 24314 [0,0,0,1,0,0|3,0,0]=4 367 B9R1.33 CC1=C(CCN)SC=N1 24666 [0,0,0,0,1,0|3,0,0]=4 368 B8R1.2 BrCC1=CC=CC=C1 13143 [2,0,0,0,0,0|1,0,0]=3 369 B8R1.2 BrCC1=CC=CN=C1 17664 [2,0,0,0,0,0|2,0,0]=4 370 B8R1.2 C#CC1=CC=CC=C1 15340 [2,0,0,0,0,0|0,0,2]=4 371 B8R1.2 CCC1=NC=NC=C1 23618 [2,0,0,0,0,0|2,0,0]=4 372 B8R1.2 CNC1=CC=CN=C1 14983 [2,0,0,0,0,0|2,0,0]=4 373 B8R1.2 CNC1=CC=NC=C1 12915 [2,0,0,0,0,0|2,0,0]=4 374 B8R1.2 COC1=CC=CC=C1 12830 [2,0,0,0,0,0|1,0,0]=3 375 B8R1.2 COC1=CC=CC=C1 17272 [2,0,0,0,0,0|1,0,0]=3 376 B8R1.2 COC1=CC=CN=C1 15370 [2,0,0,0,0,0|2,0,0]=4 377 B8R1.2 COC1=CC=NC=C1 2585 [2,0,0,0,0,0|2,0,0]=4 378 B8R1.2 COC1=NC=CC=C1 13201 [2,0,0,0,0,0|2,0,0]=4 379 B8R1.2 CSC1=CC=CC=C1 10578 [2,0,0,0,0,0|1,0,0]=3 380 B8R1.2 CSC1=NC=CC=C1 35938 [2,0,0,0,0,0|2,0,0]=4 381 B8R1.2 ClCC1=CC=CN=C1 9217 [2,0,0,0,0,0|2,0,0]=4 382 B8R1.2 ClCC1=CC=NC=C1 15905 [2,0,0,0,0,0|2,0,0]=4 383 B8R1.2 ClCC1=NC=CC=C1 16732 [2,0,0,0,0,0|2,0,0]=4 384 B8R1.2 ClCC1=NC=CC=C1 36036 [2,0,0,0,0,0|2,0,0]=4 385 B8R1.2 N#Cc1ccccc1 25507 [2,0,0,0,0,0|0,0,2]=4 386 B8R1.2 NCC1=CC=CC=C1 25530 [2,0,0,0,0,0|0,0,0]=2 387 B8R1.2 NCC1=CC=CN=C1 11140 [2,0,0,0,0,0|1,0,0]=3 388 B8R1.2 NCC1=CC=NC=C1 12407 [2,0,0,0,0,0|1,0,0]=3 389 B8R1.2 NCC1=NC=CC=C1 11142 [2,0,0,0,0,0|1,0,0]=3 390 B8R1.2 NCC1=NC=CC=N1 26329 [2,0,0,0,0,0|2,0,0]=4 391 B8R1.2 NCC1=NC=CN=C1 17822 [2,0,0,0,0,0|2,0,0]=4 392 B8R1.2 NNC1=CC=CC=C1 22925 [2,0,0,0,0,0|1,0,0]=3 393 B8R1.2 NNC1=CC=NC=C1 16313 [2,0,0,0,0,0|2,0,0]=4 394 B8R1.2 NNC1=NC=CC=C1 22630 [2,0,0,0,0,0|2,0,0]=4 395 B8R1.2 OCC1=CC=CN=C1 11736 [2,0,0,0,0,0|2,0,0]=4 396 B8R1.2 OCC1=CC=NC=C1 11738 [2,0,0,0,0,0|2,0,0]=4 397 B8R1.2 OCC1=NC=CC=C1 9301 [2,0,0,0,0,0|2,0,0]=4 398 B8R1.2 SCC1=CC=CC=C1 6835 [2,0,0,0,0,0|1,0,0]=3 399 B8R1.2 SCC1=CC=CN=C1 25049 [2,0,0,0,0,0|2,0,0]=4 400 B8R1.2 SCC1=CC=NC=C1 25053 [2,0,0,0,0,0|2,0,0]=4 401 B8R1.2 SCC1=NC=CC=C1 25013 [2,0,0,0,0,0|2,0,0]=4 402 B8R1.5 BrC1=C(Br)C=CC=C1 3852 [2,0,0,0,0,0|1,0,0]=3 403 B8R1.5 BrC1=C(Br)C=NC=C1 6611 [2,0,0,0,0,0|2,0,0]=4 404 B8R1.5 BrC1=C(I)C=CC=C1 19983 [2,0,0,0,0,0|1,0,0]=3 405 B8R1.5 BrC1=C(I)C=CC=C1 2278 [2,0,0,0,0,0|1,0,0]=3 406 B8R1.5 BrC1=C(I)C=CN=C1 35720 [2,0,0,0,0,0|2,0,0]=4 407 B8R1.5 BrC1=CC=CN=C1Br 5402 [2,0,0,0,0,0|2,0,0]=4 408 B8R1.5 BrC1=CC=CN=C1I 11018 [2,0,0,0,0,0|2,0,0]=4 409 B8R1.5 BrC1=NC=CC=C1I 13529 [2,0,0,0,0,0|2,0,0]=4 410 B8R1.5 CC1=C(Br)C=CC=C1 3834 [2,0,0,0,0,0|0,0,0]=2 411 B8R1.5 CC1=C(Br)C=CN=C1 10604 [2,0,0,0,0,0|1,0,0]=3 412 B8R1.5 CC1=C(Br)C=CN=C1 6889 [2,0,0,0,0,0|1,0,0]=3 413 B8R1.5 CC1=C(Br)C=NC=C1 3994 [2,0,0,0,0,0|1,0,0]=3 414 B8R1.5 CC1=C(Cl)C=CC=C1 19748 [2,0,0,0,0,0|0,1,0]=3 415 B8R1.5 CC1=C(Cl)C=CN=C1 17464 [2,0,0,0,0,0|1,1,0]=4 416 B8R1.5 CC1=C(Cl)C=CN=C1 9218 [2,0,0,0,0,0|1,1,0]=4 417 B8R1.5 CC1=C(Cl)C=NC=C1 14323 [2,0,0,0,0,0|1,1,0]=4 418 B8R1.5 CC1=C(F)C=CN=C1 15249 [2,0,0,0,0,0|1,1,0]=4 419 B8R1.5 CC1=C(F)C=NC=C1 9251 [2,0,0,0,0,0|1,1,0]=4 420 B8R1.5 CC1=C(I)C=CC=C1 9516 [2,0,0,0,0,0|0,1,0]=3 421 B8R1.5 CC1=C(N)C=CN=C1 1119 [2,0,0,0,0,0|2,0,0]=4 422 B8R1.5 CC1=C(N)C=NC=C1 1278 [2,0,0,0,0,0|2,0,0]=4 423 B8R1.5 CC1=C(O)C=NC=C1 15184 [2,0,0,0,0,0|2,0,0]=4 424 B8R1.5 CC1=C(S)C=CC=C1 6806 [2,0,0,0,0,0|1,0,0]=3 425 B8R1.5 CC1=CC=CC=C1N 20202 [2,0,0,0,0,0|1,0,0]=3 426 B8R1.5 CC1=CC=CC=C1O 15714 [2,0,0,0,0,0|1,0,0]=3 427 B8R1.5 CC1=CC=CN=C1Br 9208 [2,0,0,0,0,0|1,0,0]=3 428 B8R1.5 CC1=CC=CN=C1C 20520 [2,0,0,0,0,0|2,0,0]=4 429 B8R1.5 CC1=CC=CN=C1Cl 2074 [2,0,0,0,0,0|1,1,0]=4 430 B8R1.5 CC1=CC=CN=C1F 3992 [2,0,0,0,0,0|1,1,0]=4 431 B8R1.5 CC1=CC=CN=C1I 14399 [2,0,0,0,0,0|1,1,0]=4 432 B8R1.5 CC1=CC=CN=C1N 1217 [2,0,0,0,0,0|2,0,0]=4 433 B8R1.5 CC1=CC=CN=C1O 14401 [2,0,0,0,0,0|2,0,0]=4 434 B8R1.5 CC1=CC=CN=C1O 8871 [2,0,0,0,0,0|2,0,0]=4 435 B8R1.5 CC1=NC=CC=C1Br 1220 [2,0,0,0,0,0|1,0,0]=3 436 B8R1.5 CC1=NC=CC=C1Cl 14380 [2,0,0,0,0,0|1,1,0]=4 437 B8R1.5 CC1=NC=CC=C1F 14381 [2,0,0,0,0,0|1,1,0]=4 438 B8R1.5 CC1=NC=CC=C1I 14400 [2,0,0,0,0,0|1,1,0]=4 439 B8R1.5 CC1=NC=CC=C1N 2076 [2,0,0,0,0,0|2,0,0]=4 440 B8R1.5 CC1=NC=CC=C1O 6626 [2,0,0,0,0,0|2,0,0]=4 441 B8R1.5 CC1=NC=CN=C1Br 18035 [2,0,0,0,0,0|2,0,0]=4 442 B8R1.5 CC1=NC=NC=C1Br 17240 [2,0,0,0,0,0|2,0,0]=4 443 B8R1.5 CC1=[N+]([O-])C=CC=C1 14342 [2,0,0,0,0,0|2,0,0]=4 444 B8R1.5 CN1C=CC=CC1=O 25381 [2,0,0,0,0,0|2,0,0]=4 445 B8R1.5 C[N+]1=C(Cl)C=CC=C1 16659 [2,0,0,0,0,0|1,1,0]=4 446 B8R1.5 ClC1=C(Br)C=CC=C1 3582 [2,0,0,0,0,0|1,0,0]=3 447 B8R1.5 ClC1=C(Br)C=CN=C1 1288 [2,0,0,0,0,0|2,0,0]=4 448 B8R1.5 ClC1=C(Br)C=NC=C1 1287 [2,0,0,0,0,0|2,0,0]=4 449 B8R1.5 ClC1=C(Br)C=NC=C1 27014 [2,0,0,0,0,0|2,0,0]=4 450 B8R1.5 ClC1=C(Cl)C=CC=C1 16667 [2,0,0,0,0,0|1,1,0]=4 451 B8R1.5 ClC1=C(I)C=CC=C1 3646 [2,0,0,0,0,0|1,1,0]=4 452 B8R1.5 ClC1=CC=CN=C1Br 5776 [2,0,0,0,0,0|2,0,0]=4 453 B8R1.5 ClC1=NC=CC=C1Br 1098 [2,0,0,0,0,0|2,0,0]=4 454 B8R1.5 FC1=C(Br)C=CC=C1 3215 [2,0,0,0,0,0|1,0,0]=3 455 B8R1.5 FC1=C(Br)C=CN=C1 18130 [2,0,0,0,0,0|2,0,0]=4 456 B8R1.5 FC1=C(Br)C=CN=C1 6660 [2,0,0,0,0,0|2,0,0]=4 457 B8R1.5 FC1=C(Br)C=NC=C1 3009 [2,0,0,0,0,0|2,0,0]=4 458 B8R1.5 FC1=C(Cl)C=CC=C1 3418 [2,0,0,0,0,0|1,1,0]=4 459 B8R1.5 FC1=C(F)C=CC=C1 2307 [2,0,0,0,0,0|1,1,0]=4 460 B8R1.5 FC1=C(I)C=CC=C1 3496 [2,0,0,0,0,0|1,1,0]=4 461 B8R1.5 FC1=C(S)C=CC=C1 5428 [2,0,0,0,0,0|1,1,0]=4 462 B8R1.5 FC1=CC=CN=C1Br 3002 [2,0,0,0,0,0|2,0,0]=4 463 B8R1.5 FC1=NC=CC=C1Br 3008 [2,0,0,0,0,0|2,0,0]=4 464 B8R1.5 IC1=C(I)C=CC=C1 3831 [2,0,0,0,0,0|1,1,0]=4 465 B8R1.5 NC1=C(Br)C=CC=C1 3722 [2,0,0,0,0,0|0,0,0]=2 466 B8R1.5 NC1=C(Br)C=CN=C1 6658 [2,0,0,0,0,0|1,0,0]=3 467 B8R1.5 NC1=C(Br)C=NC=C1 1242 [2,0,0,0,0,0|1,0,0]=3 468 B8R1.5 NC1=C(Cl)C=CC=C1 19107 [2,0,0,0,0,0|0,1,0]=3 469 B8R1.5 NC1=C(Cl)C=CN=C1 6665 [2,0,0,0,0,0|1,1,0]=4 470 B8R1.5 NC1=C(Cl)C=NC=C1 6653 [2,0,0,0,0,0|1,1,0]=4 471 B8R1.5 NC1=C(F)C=CC=C1 15382 [2,0,0,0,0,0|0,1,0]=3 472 B8R1.5 NC1=C(F)C=CC=C1 5245 [2,0,0,0,0,0|0,1,0]=3 473 B8R1.5 NC1=C(F)C=NC=C1 1261 [2,0,0,0,0,0|1,1,0]=4 474 B8R1.5 NC1=C(F)C=NC=C1 26667 [2,0,0,0,0,0|1,1,0]=4 475 B8R1.5 NC1=C(I)C=CC=C1 10573 [2,0,0,0,0,0|0,1,0]=3 476 B8R1.5 NC1=C(I)C=CN=C1 6681 [2,0,0,0,0,0|1,1,0]=4 477 B8R1.5 NC1=C(I)C=NC=C1 6632 [2,0,0,0,0,0|1,1,0]=4 478 B8R1.5 NC1=C(N)C=CC=C1 32376 [2,0,0,0,0,0|1,0,0]=3 479 B8R1.5 NC1=C(N)C=NC=C1 1295 [2,0,0,0,0,0|2,0,0]=4 480 B8R1.5 NC1=C(O)C=CN=C1 6679 [2,0,0,0,0,0|2,0,0]=4 481 B8R1.5 NC1=C(O)C=NC=C1 6654 [2,0,0,0,0,0|2,0,0]=4 482 B8R1.5 NC1=C(S)C=CC=C1 5424 [2,0,0,0,0,0|1,0,0]=3 483 B8R1.5 NC1=CC=CN=C1Br 5766 [2,0,0,0,0,0|1,0,0]=3 484 B8R1.5 NC1=CC=CN=C1Cl 1096 [2,0,0,0,0,0|1,1,0]=4 485 B8R1.5 NC1=CC=CN=C1F 1259 [2,0,0,0,0,0|1,1,0]=4 486 B8R1.5 NC1=CC=CN=C1I 9292 [2,0,0,0,0,0|1,1,0]=4 487 B8R1.5 NC1=CC=CN=C1N 1296 [2,0,0,0,0,0|2,0,0]=4 488 B8R1.5 NC1=CC=CN=C1N 5394 [2,0,0,0,0,0|2,0,0]=4 489 B8R1.5 NC1=CC=CN=C1O 1263 [2,0,0,0,0,0|2,0,0]=4 490 B8R1.5 NC1=CN=CN=C1Br 34253 [2,0,0,0,0,0|2,0,0]=4 491 B8R1.5 NC1=NC=CC=C1Br 1241 [2,0,0,0,0,0|1,0,0]=3 492 B8R1.5 NC1=NC=CC=C1Cl 5562 [2,0,0,0,0,0|1,1,0]=4 493 B8R1.5 NC1=NC=CC=C1F 2976 [2,0,0,0,0,0|1,1,0]=4 494 B8R1.5 NC1=NC=CC=C1I 1265 [2,0,0,0,0,0|1,1,0]=4 495 B8R1.5 NC1=NC=CC=C1O 2574 [2,0,0,0,0,0|2,0,0]=4 496 B8R1.5 NC1=NC=CC=C1S 16432 [2,0,0,0,0,0|2,0,0]=4 497 B8R1.5 NC1=NC=CN=C1Br 27947 [2,0,0,0,0,0|2,0,0]=4 498 B8R1.5 NC1=NC=NC=C1Br 14978 [2,0,0,0,0,0|2,0,0]=4 499 B8R1.5 Nc1ccccc1N 23346 [2,0,0,0,0,0|1,0,0]=3 500 B8R1.5 OC1=C(Br)C=CC=C1 3841 [2,0,0,0,0,0|1,0,0]=3 501 B8R1.5 OC1=C(Br)C=CN=C1 6661 [2,0,0,0,0,0|2,0,0]=4 502 B8R1.5 OC1=C(Br)C=NC=C1 6678 [2,0,0,0,0,0|2,0,0]=4 503 B8R1.5 OC1=C(Cl)C=CC=C1 12600 [2,0,0,0,0,0|1,1,0]=4 504 B8R1.5 OC1=C(F)C=CC=C1 2313 [2,0,0,0,0,0|1,1,0]=4 505 B8R1.5 OC1=C(I)C=CC=C1 3963 [2,0,0,0,0,0|1,1,0]=4 506 B8R1.5 OC1=C(S)C=CC=C1 6827 [2,0,0,0,0,0|2,0,0]=4 507 B8R1.5 OC1=CC=CN=C1Br 2572 [2,0,0,0,0,0|2,0,0]=4 508 B8R1.5 OC1=NC=CC=C1Br 1177 [2,0,0,0,0,0|2,0,0]=4 509 B8R1.5 SC1=C(Br)C=CC=C1 4009 [2,0,0,0,0,0|1,0,0]=3 510 B8R1.5 SC1=C(Cl)C=CC=C1 6776 [2,0,0,0,0,0|1,1,0]=4 511 B8R1.5 [O-][N+]1=C(Br)C=CC=C1 13510 [2,0,0,0,0,0|2,0,0]=4 512 B10R1.1 BrCCC1=CC=C(Br)C=C1 16698 [1,1,0,0,0,0|1,0,0]=3 513 B10R1.1 CC1=CC=C(CC#N)C=C1 28873 [1,1,0,0,0,0|0,0,2]=4 514 B10R1.1 CCCC1=CC=C(Br)C=C1 10762 [1,1,0,0,0,0|1,0,0]=3 515 B10R1.1 CCCC1=CC=C(N)C=N1 26082 [1,1,0,0,0,0|2,0,0]=4 516 B10R1.1 CCOC1=CC=C(Br)C=C1 3138 [1,1,0,0,0,0|2,0,0]=4 517 B10R1.1 CCOC1=CC=C(C)C=C1 3181 [1,1,0,0,0,0|2,0,0]=4 518 B10R1.1 CCOC1=CC=C(Cl)C=C1 3165 [1,1,0,0,0,0|2,0,0]=4 519 B10R1.1 CCOC1=CC=C(F)C=C1 3175 [1,1,0,0,0,0|2,0,0]=4 520 B10R1.1 CCOC1=CC=C(I)C=C1 3177 [1,1,0,0,0,0|2,0,0]=4 521 B10R1.1 CCOC1=CC=C(N)C=C1 9511 [1,1,0,0,0,0|2,0,0]=4 522 B10R1.1 CCOC1=CC=C(O)C=C1 9512 [1,1,0,0,0,0|2,0,0]=4 523 B10R1.1 CNCC1=CC=C(C)C=C1 10497 [1,1,0,0,0,0|2,0,0]=4 524 B10R1.1 CNCC1=CC=C(F)C=C1 31250 [1,1,0,0,0,0|2,0,0]=4 525 B10R1.1 ClC1=CC=C(CCBr)C=C1 28821 [1,1,0,0,0,0|1,0,0]=3 526 B10R1.1 ClCCC1=CC=C(Cl)C=C1 28820 [1,1,0,0,0,0|1,0,0]=3 527 B10R1.1 FC1=CC=C(CCBr)C=C1 25674 [1,1,0,0,0,0|1,0,0]=3 528 B10R1.1 FC1=CC=C(CCBr)C=C1 28825 [1,1,0,0,0,0|1,0,0]=3 529 B10R1.1 N#CCC1=CC=C(Br)C=C1 4242 [1,1,0,0,0,0|0,0,2]=4 530 B10R1.1 N#CCC1=CC=C(Cl)C=C1 16502 [1,1,0,0,0,0|0,0,2]=4 531 B10R1.1 N#CCC1=CC=C(F)C=C1 4169 [1,1,0,0,0,0|0,0,2]=4 532 B10R1.1 N#CCC1=CC=C(I)C=C1 19992 [1,1,0,0,0,0|0,0,2]=4 533 B10R1.1 N#CCC1=CC=C(N)C=C1 4233 [1,1,0,0,0,0|0,0,2]=4 534 B10R1.1 N#CCC1=CC=C(O)C=C1 18614 [1,1,0,0,0,0|0,0,2]=4 535 B10R1.1 NC1=CC=C(CCO)C=C1 4580 [1,1,0,0,0,0|1,0,0]=3 536 B10R1.1 NCCC1=CC=C(Br)C=C1 27051 [1,1,0,0,0,0|0,0,0]=2 537 B10R1.1 NCCC1=CC=C(Cl)C=C1 36132 [1,1,0,0,0,0|0,0,0]=2 538 B10R1.1 NCCC1=CC=C(F)C=C1 16712 [1,1,0,0,0,0|0,0,0]=2 539 B10R1.1 NCCC1=CC=C(F)C=C1 29725 [1,1,0,0,0,0|0,0,0]=2 540 B10R1.1 NCCC1=CC=C(N)C=C1 19815 [1,1,0,0,0,0|0,0,0]=2 541 B10R1.1 NCCC1=CC=C(N)C=C1 25418 [1,1,0,0,0,0|0,0,0]=2 542 B10R1.1 NCCC1=CC=C(O)C=C1 16668 [1,1,0,0,0,0|0,0,0]=2 543 B10R1.1 O=CCC1=CC=C(Cl)C=C1 26501 [1,1,0,0,0,0|1,0,1]=4 544 B10R1.1 OC1=CC=C(CCBr)C=C1 2349 [1,1,0,0,0,0|1,0,0]=3 545 B10R1.1 OCCC1=CC=C(Cl)C=C1 3093 [1,1,0,0,0,0|1,0,0]=3 546 B10R1.1 OCCC1=CC=C(F)C=C1 4585 [1,1,0,0,0,0|1,0,0]=3 547 B10R1.1 OCCC1=CC=C(O)C=C1 9418 [1,1,0,0,0,0|1,0,0]=3 548 B10R1.10 CC1=CC=CC(CCO)=N1 25853 [1,1,0,0,0,0|2,0,0]=4 549 B10R1.10 CCOC1=CC(Br)=CC=C1 3137 [1,1,0,0,0,0|2,0,0]=4 550 B10R1.10 CCOC1=CC(C)=CC=C1 3180 [1,1,0,0,0,0|2,0,0]=4 551 B10R1.10 CCOC1=CC(Cl)=CC=C1 3162 [1,1,0,0,0,0|2,0,0]=4 552 B10R1.10 CCOC1=CC(F)=CC=C1 3174 [1,1,0,0,0,0|2,0,0]=4 553 B10R1.10 CCOC1=CC(I)=CC=C1 3241 [1,1,0,0,0,0|2,0,0]=4 554 B10R1.10 CCOC1=CC(N)=CC=C1 9507 [1,1,0,0,0,0|2,0,0]=4 555 B10R1.10 CCOC1=CC=CC(O)=C1 9510 [1,1,0,0,0,0|2,0,0]=4 556 B10R1.10 CCOC1=CC=CC(S)=C1 6826 [1,1,0,0,0,0|2,0,0]=4 557 B10R1.10 CNCC1=CC(Br)=CC=C1 23425 [1,1,0,0,0,0|2,0,0]=4 558 B10R1.10 COCC1=CC=CC(F)=C1 24279 [1,1,0,0,0,0|2,0,0]=4 559 B10R1.10 FC1=CC=CC(CCBr)=C1 4671 [1,1,0,0,0,0|1,0,0]=3 560 B10R1.10 N#CCC1=CC(Br)=CC=C1 4240 [1,1,0,0,0,0|0,0,2]=4 561 B10R1.10 N#CCC1=CC(Cl)=CC=C1 16504 [1,1,0,0,0,0|0,0,2]=4 562 B10R1.10 N#CCC1=CC(F)=CC=C1 4168 [1,1,0,0,0,0|0,0,2]=4 563 B10R1.10 N#CCC1=CC(I)=CC=C1 12771 [1,1,0,0,0,0|0,0,2]=4 564 B10R1.10 N#CCC1=CC(N)=CC=C1 1960 [1,1,0,0,0,0|0,0,2]=4 565 B10R1.10 NC1=CC=CC(CCO)=C1 27351 [1,1,0,0,0,0|1,0,0]=3 566 B10R1.10 NCCC1=CC(Br)=CC=C1 17194 [1,1,0,0,0,0|0,0,0]=2 567 B10R1.10 NCCC1=CC(Br)=CC=C1 23432 [1,1,0,0,0,0|0,0,0]=2 568 B10R1.10 NCCC1=CC(F)=CC=C1 13958 [1,1,0,0,0,0|0,0,0]=2 569 B10R1.10 NCCC1=CC(N)=CC=C1 5799 [1,1,0,0,0,0|0,0,0]=2 570 B10R1.10 NCCC1=CC(O)=CC=C1 21937 [1,1,0,0,0,0|0,0,0]=2 571 B10R1.10 NCCC1=CC=CC(N)=C1 11375 [1,1,0,0,0,0|0,0,0]=2 572 B10R1.10 NNCC1=CC(O)=CC=C1 14770 [1,1,0,0,0,0|1,0,0]=3 573 B10R1.10 OCCC1=CC(Br)=CC=C1 14821 [1,1,0,0,0,0|1,0,0]=3 574 B10R1.10 OCCC1=CC(F)=CC=C1 28824 [1,1,0,0,0,0|1,0,0]=3 575 B10R1.15 BrCC(Br)C1=CC=CC=C1 13572 [1,1,0,0,0,0|1,0,0]=3 576 B10R1.15 CC(C#N)C1=CC=CC=C1 12511 [1,1,0,0,0,0|0,0,2]=4 577 B10R1.15 CC(CBr)C1=CC=CC=C1 3829 [1,1,0,0,0,0|1,0,0]=3 578 B10R1.15 CC(CN)C1=CC=CC=C1 16143 [1,1,0,0,0,0|0,0,0]=2 579 B10R1.15 CCC(C)C1=CC=CC=C1 28439 [1,1,0,0,0,0|1,0,0]=3 580 B10R1.15 CCC(N)C1=CC=CC=C1 21078 [1,1,0,0,0,0|1,0,0]=3 581 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 5668 [1,1,0,0,0,0|1,0,0]=3 582 B10R1.15 CN[C@@H](C)C1=CC=CC=C1 18717 [1,1,0,0,0,0|2,0,0]=4 583 B10R1.15 C[C@H](CN)C1=CC=CC=C1 21084 [1,1,0,0,0,0|0,0,0]=2 584 B10R1.15 N#CC(N)c1ccccc1 28208 [1,1,0,0,0,0|0,0,2]=4 585 B10R1.15 NC(CO)C1=NC=CC=C1 18774 [1,1,0,0,0,0|2,0,0]=4 586 B10R1.15 NCC(=O)C1=CC=CC=C1 10002 [1,1,0,0,0,0|0,0,1]=3 587 B10R1.15 NCC(=O)C1=CC=CC=C1 21792 [1,1,0,0,0,0|0,0,1]=3 588 B10R1.15 NCC(=O)C1=CC=CC=C1 3247 [1,1,0,0,0,0|0,0,1]=3 589 B10R1.15 NCC(O)C1=CC=CC=C1 44911 [1,1,0,0,0,0|0,0,0]=2 590 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 13836 [1,1,0,0,0,0|0,0,0]=2 591 B10R1.15 NC[C@H](O)C1=CC=CC=C1 14747 [1,1,0,0,0,0|0,0,0]=2 592 B10R1.15 NNC(=O)c1ccccc1 21535 [1,1,0,0,0,0|1,0,1]=4 593 B10R1.15 N[C@@H](CO)c1ccccc1 6081 [1,1,0,0,0,0|1,0,0]=3 594 B10R1.15 N[C@H](CO)c1ccccc1 6080 [1,1,0,0,0,0|1,0,0]=3 595 B10R1.15 O=C(CBr)C1=CC=CC=C1 3257 [1,1,0,0,0,0|1,0,1]=4 596 B10R1.15 O=C(CCl)C1=CC=CC=C1 29268 [1,1,0,0,0,0|1,0,1]=4 597 B10R1.15 O=C(CF)C1=CC=CC=C1 3472 [1,1,0,0,0,0|1,0,1]=4 598 B10R1.15 O=C(CO)C1=CC=CC=C1 23011 [1,1,0,0,0,0|1,0,1]=4 599 B10R1.15 OC[C@@H](O)c1ccccc1 7148 [1,1,0,0,0,0|1,0,0]=3 600 B10R1.15 OC[C@H](O)c1ccccc1 7146 [1,1,0,0,0,0|1,0,0]=3 601 B10R1.15 O[C@H](CCl)C1=CC=CC=C1 15578 [1,1,0,0,0,0|1,0,0]=3 602 B10R1.17 BrCCCC1=CC=CC=C1 3832 [1,1,0,0,0,0|1,0,0]=3 603 B10R1.17 BrCCOC1=CC=CC=C1 3152 [1,1,0,0,0,0|1,0,0]=3 604 B10R1.17 C#CCSC1=CC=CC=C1 15323 [1,1,0,0,0,0|1,0,1]=4 605 B10R1.17 C=CCOC1=CC=CC=C1 29359 [1,1,0,0,0,0|1,0,1]=4 606 B10R1.17 C=COCC1=CC=CC=C1 36172 [1,1,0,0,0,0|1,0,1]=4 607 B10R1.17 CCCCC1=CC=CC=C1 13571 [1,1,0,0,0,0|1,0,0]=3 608 B10R1.17 CCNCC1=NC=CC=C1 23918 [1,1,0,0,0,0|2,0,0]=4 609 B10R1.17 CNCCC1=CC=NC=C1 14195 [1,1,0,0,0,0|1,0,0]=3 610 B10R1.17 ClCC#CC1=CC=CC=C1 13578 [1,1,0,0,0,0|1,0,1]=4 611 B10R1.17 ClCCOC1=CC=CC=C1 3167 [1,1,0,0,0,0|1,0,0]=3 612 B10R1.17 ClCCSC1=CC=CC=C1 36163 [1,1,0,0,0,0|1,0,0]=3 613 B10R1.17 ClCOCC1=CC=CC=C1 7566 [1,1,0,0,0,0|1,0,0]=3 614 B10R1.17 NCCCC1=CC=CN=C1 23791 [1,1,0,0,0,0|1,0,0]=3 615 B10R1.17 NCCOC1=CC=CC=C1 14773 [1,1,0,0,0,0|0,0,0]=2 616 B10R1.17 NCCOC1=CC=CC=C1 15299 [1,1,0,0,0,0|0,0,0]=2 617 B10R1.17 NNCCC1=CC=CC=C1 16246 [1,1,0,0,0,0|0,0,0]=2 618 B10R1.17 NNCOC1=CC=CN=C1 16450 [1,1,0,0,0,0|2,0,0]=4 619 B10R1.17 OCC#CC1=CC=CC=C1 13580 [1,1,0,0,0,0|1,0,1]=4 620 B10R1.17 OCCCC1=CC=CC=C1 15023 [1,1,0,0,0,0|1,0,0]=3 621 B10R1.17 OCCCC1=CC=CN=C1 13083 [1,1,0,0,0,0|2,0,0]=4 622 B10R1.17 OCCCC1=CC=NC=C1 13084 [1,1,0,0,0,0|2,0,0]=4 623 B10R1.17 OCCCC1=NC=CC=C1 13082 [1,1,0,0,0,0|2,0,0]=4 624 B10R1.17 OCCSC1=CC=CC=C1 10784 [1,1,0,0,0,0|1,0,0]=3 625 B10R1.17 S=C=NCC1=CC=CC=C1 14549 [1,1,0,0,0,0|1,0,1]=4 626 B10R1.17 [N-]=[N+]=NCC1=CC=CC=C1 25447 [1,1,0,0,0,0|1,0,1]=4 627 B10R1.18 CC(C)OC1=CC=CC=C1 13188 [1,1,0,0,0,0|2,0,0]=4 628 B10R1.18 CC(O)CC1=CC=CC=C1 36130 [1,1,0,0,0,0|1,0,0]=3 629 B10R1.18 NC(=S)NC1=CC=CC=C1 35672 [1,1,0,0,0,0|1,0,1]=4 630 B10R1.18 O=C(Cl)CC1=CC=CC=C1 35236 [1,1,0,0,0,0|1,0,1]=4 631 B10R1.18 O=C([O-])CC1=CC=CC=C1 20019 [1,1,0,0,0,0|1,0,1]=4 632 B10R1.18 O=[N+]([O-])CC1=CC=CC=C1 16807 [1,1,0,0,0,0|2,0,0]=4 633 B10R1.18 OB(O)CC1=CC=CC=C1 5320 [1,1,0,0,0,0|2,0,0]=4 634 B10R1.18 OC(=S)CC1=CC=CC=C1 10786 [1,1,0,0,0,0|1,0,1]=4 635 B10R1.2 BrCC1=C(Br)C(I)=CC=C1 31265 [1,1,0,0,0,0|1,0,0]=3 636 B10R1.2 CC1=C(CBr)C=CC=C1Br 31382 [1,1,0,0,0,0|2,0,0]=4 637 B10R1.2 CC1=C(CBr)C=CC=C1I 31386 [1,1,0,0,0,0|2,0,0]=4 638 B10R1.2 CC1=C(CO)C=CC=C1Br 31381 [1,1,0,0,0,0|2,0,0]=4 639 B10R1.2 CC1=C(CO)C=CC=C1F 4925 [1,1,0,0,0,0|2,0,0]=4 640 B10R1.2 CC1=C(CO)C=CC=C1I 31385 [1,1,0,0,0,0|2,0,0]=4 641 B10R1.2 CC1=C(CO)C=CC=C1N 19790 [1,1,0,0,0,0|2,0,0]=4 642 B10R1.2 CC1=CC=CC(C#N)=C1Br 26070 [1,1,0,0,0,0|0,0,2]=4 643 B10R1.2 CC1=CC=CC(C=O)=C1Br 30978 [1,1,0,0,0,0|1,0,1]=4 644 B10R1.2 CC1=CC=CC(CBr)=C1Br 31378 [1,1,0,0,0,0|1,0,0]=3 645 B10R1.2 CC1=CC=CC(CBr)=C1C 27463 [1,1,0,0,0,0|2,0,0]=4 646 B10R1.2 CC1=CC=CC(CN)=C1Cl 31260 [1,1,0,0,0,0|0,1,0]=3 647 B10R1.2 CC1=CC=CC(CN)=C1F 31262 [1,1,0,0,0,0|0,1,0]=3 648 B10R1.2 CC1=CC=CC(CO)=C1Br 31377 [1,1,0,0,0,0|1,0,0]=3 649 B10R1.2 CC1=CC=CC(NN)=C1C 6398 [1,1,0,0,0,0|2,0,0]=4 650 B10R1.2 CCC1=C(O)C(O)=CC=C1 33193 [1,1,0,0,0,0|1,0,0]=3 651 B10R1.2 CCC1=CC=CC(Br)=C1O 33831 [1,1,0,0,0,0|1,0,0]=3 652 B10R1.2 CCC1=CC=CC(Cl)=C1N 34625 [1,1,0,0,0,0|1,0,0]=3 653 B10R1.2 CCC1=CC=CC(Cl)=C1O 27841 [1,1,0,0,0,0|1,0,0]=3 654 B10R1.2 CCC1=CC=CC(O)=C1F 27791 [1,1,0,0,0,0|0,1,0]=3 655 B10R1.2 COC1=C(Br)C(Br)=CC=C1 31145 [1,1,0,0,0,0|1,0,0]=3 656 B10R1.2 COC1=C(Br)C(C)=CC=C1 31146 [1,1,0,0,0,0|1,0,0]=3 657 B10R1.2 COC1=C(Br)C(F)=CC=C1 4125 [1,1,0,0,0,0|1,0,0]=3 658 B10R1.2 COC1=C(C)C(Br)=CC=C1 31165 [1,1,0,0,0,0|2,0,0]=4 659 B10R1.2 COC1=C(C)C(C)=CC=C1 4114 [1,1,0,0,0,0|2,0,0]=4 660 B10R1.2 COC1=C(C)C(Cl)=CC=C1 2664 [1,1,0,0,0,0|2,0,0]=4 661 B10R1.2 COC1=C(Cl)C(Br)=CC=C1 31152 [1,1,0,0,0,0|1,1,0]=4 662 B10R1.2 COC1=C(Cl)C(Cl)=CC=C1 3680 [1,1,0,0,0,0|1,1,0]=4 663 B10R1.2 COC1=C(Cl)C(F)=CC=C1 31158 [1,1,0,0,0,0|1,1,0]=4 664 B10R1.2 COC1=C(F)C(Br)=CC=C1 4127 [1,1,0,0,0,0|1,1,0]=4 665 B10R1.2 COC1=C(F)C(Cl)=CC=C1 31153 [1,1,0,0,0,0|1,1,0]=4 666 B10R1.2 COC1=C(F)C(Cl)=CC=C1 8445 [1,1,0,0,0,0|1,1,0]=4 667 B10R1.2 COC1=C(I)C(F)=CC=C1 4119 [1,1,0,0,0,0|1,1,0]=4 668 B10R1.2 COC1=C(I)C(N)=CC=C1 28346 [1,1,0,0,0,0|1,1,0]=4 669 B10R1.2 COC1=CC=CC(Br)=C1N 31031 [1,1,0,0,0,0|2,0,0]=4 670 B10R1.2 COC1=CC=CC(Br)=C1O 33838 [1,1,0,0,0,0|2,0,0]=4 671 B10R1.2 COC1=CC=CC(Cl)=C1N 31032 [1,1,0,0,0,0|2,0,0]=4 672 B10R1.2 COC1=CC=CC(Cl)=C1O 28111 [1,1,0,0,0,0|2,0,0]=4 673 B10R1.2 COC1=CC=CC(F)=C1F 1969 [1,1,0,0,0,0|1,1,0]=4 674 B10R1.2 COC1=CC=CC(F)=C1N 8485 [1,1,0,0,0,0|2,0,0]=4 675 B10R1.2 COC1=CC=CC(F)=C1O 3878 [1,1,0,0,0,0|2,0,0]=4 676 B10R1.2 COC1=CC=CC(I)=C1Br 27634 [1,1,0,0,0,0|1,0,0]=3 677 B10R1.2 COC1=CC=CC(I)=C1C 33420 [1,1,0,0,0,0|2,0,0]=4 678 B10R1.2 COC1=CC=CC(N)=C1Br 15644 [1,1,0,0,0,0|1,0,0]=3 679 B10R1.2 COC1=CC=CC(N)=C1C 15040 [1,1,0,0,0,0|2,0,0]=4 680 B10R1.2 COC1=CC=CC(N)=C1C 19248 [1,1,0,0,0,0|2,0,0]=4 681 B10R1.2 COC1=CC=CC(N)=C1Cl 19249 [1,1,0,0,0,0|1,1,0]=4 682 B10R1.2 COC1=CC=CC(N)=C1Cl 19250 [1,1,0,0,0,0|1,1,0]=4 683 B10R1.2 COC1=CC=CC(N)=C1F 15807 [1,1,0,0,0,0|1,1,0]=4 684 B10R1.2 COC1=CC=CC(N)=C1O 33268 [1,1,0,0,0,0|2,0,0]=4 685 B10R1.2 COC1=CC=CC(O)=C1Br 34186 [1,1,0,0,0,0|1,0,0]=3 686 B10R1.2 COC1=CC=CC(O)=C1Cl 33442 [1,1,0,0,0,0|1,1,0]=4 687 B10R1.2 COC1=CC=CC(O)=C1F 27943 [1,1,0,0,0,0|1,1,0]=4 688 B10R1.2 COC1=NC=CC(C)=C1Br 6583 [1,1,0,0,0,0|2,0,0]=4 689 B10R1.2 COc1ccc[n+]([O-])c1Br 5949 [1,1,0,0,0,0|2,0,0]=4 690 B10R1.2 CSC1=C(C)C(Cl)=CC=C1 10673 [1,1,0,0,0,0|2,0,0]=4 691 B10R1.2 ClCC1=C(Cl)C(Cl)=CC=C1 16508 [1,1,0,0,0,0|1,1,0]=4 692 B10R1.2 FC1=C(Br)C=CC=C1CCl 23347 [1,1,0,0,0,0|1,1,0]=4 693 B10R1.2 FC1=C(CBr)C=CC=C1Br 27437 [1,1,0,0,0,0|1,1,0]=4 694 B10R1.2 FC1=C(CBr)C=CC=C1Cl 4895 [1,1,0,0,0,0|1,1,0]=4 695 B10R1.2 FC1=C(CCl)C=CC=C1Cl 31346 [1,1,0,0,0,0|1,1,0]=4 696 B10R1.2 FC1=CC=CC(CBr)=C1Br 28798 [1,1,0,0,0,0|1,0,0]=3 697 B10R1.2 FC1=CC=CC(CBr)=C1Cl 31269 [1,1,0,0,0,0|1,1,0]=4 698 B10R1.2 FC1=CC=CC(CBr)=C1F 4909 [1,1,0,0,0,0|1,1,0]=4 699 B10R1.2 FC1=CC=CC(CCl)=C1F 10225 [1,1,0,0,0,0|1,1,0]=4 700 B10R1.2 N#CC1=C(Br)C(F)=CC=C1 4702 [1,1,0,0,0,0|0,0,2]=4 701 B10R1.2 N#CC1=C(Br)C(O)=CC=C1 23204 [1,1,0,0,0,0|0,0,2]=4 702 B10R1.2 NC1=C(CO)C=CC=C1F 20365 [1,1,0,0,0,0|2,0,0]=4 703 B10R1.2 NCC1=C(Cl)C(Cl)=CC=C1 16713 [1,1,0,0,0,0|0,1,0]=3 704 B10R1.2 NCC1=C(Cl)C(F)=CC=C1 31240 [1,1,0,0,0,0|0,1,0]=3 705 B10R1.2 NCC1=C(F)C(Cl)=CC=C1 25441 [1,1,0,0,0,0|0,1,0]=3 706 B10R1.2 NCC1=C(F)C(F)=CC=C1 7356 [1,1,0,0,0,0|0,1,0]=3 707 B10R1.2 NNC1=C(Cl)C(Cl)=CC=C1 7561 [1,1,0,0,0,0|1,1,0]=4 708 B10R1.2 NNC1=C(F)C(Cl)=CC=C1 1081 [1,1,0,0,0,0|1,1,0]=4 709 B10R1.2 O=CC1=C(Br)C(Br)=CC=C1 29209 [1,1,0,0,0,0|1,0,1]=4 710 B10R1.2 O=CC1=C(Br)C(Cl)=CC=C1 27512 [1,1,0,0,0,0|1,0,1]=4 711 B10R1.2 O=CC1=C(Br)C(F)=CC=C1 1417 [1,1,0,0,0,0|1,0,1]=4 712 B10R1.2 O=CC1=C(Br)C(O)=CC=C1 20855 [1,1,0,0,0,0|1,0,1]=4 713 B10R1.2 OCC1=C(Br)C(Cl)=CC=C1 27763 [1,1,0,0,0,0|1,0,0]=3 714 B10R1.2 OCC1=C(Br)C(F)=CC=C1 25799 [1,1,0,0,0,0|1,0,0]=3 715 B10R1.2 OCC1=C(Br)C(I)=CC=C1 31266 [1,1,0,0,0,0|1,0,0]=3 716 B10R1.2 OCC1=C(Cl)C(Br)=CC=C1 31304 [1,1,0,0,0,0|1,1,0]=4 717 B10R1.2 OCC1=C(Cl)C(F)=CC=C1 31268 [1,1,0,0,0,0|1,1,0]=4 718 B10R1.2 OCC1=C(F)C(Br)=CC=C1 19843 [1,1,0,0,0,0|1,1,0]=4 719 B10R1.2 OCC1=C(F)C(F)=CC=C1 7358 [1,1,0,0,0,0|1,1,0]=4 720 B10R1.20 BrCC1=C(CBr)C=CC=C1 10201 [1,1,0,0,0,0|1,0,0]=3 721 B10R1.20 CCC1=C(C#N)C=CC=C1 12591 [1,1,0,0,0,0|1,0,0]=3 722 B10R1.20 CCC1=C(C=O)C=CC=C1 3074 [1,1,0,0,0,0|1,0,0]=3 723 B10R1.20 CCC1=C(NN)C=CC=C1 6412 [1,1,0,0,0,0|1,0,0]=3 724 B10R1.20 COC1=C(C#N)C=CC=C1 4812 [1,1,0,0,0,0|2,0,0]=4 725 B10R1.20 COC1=C(C=O)C=CC=C1 7413 [1,1,0,0,0,0|2,0,0]=4 726 B10R1.20 COC1=C(CBr)C=CC=C1 14738 [1,1,0,0,0,0|1,0,0]=3 727 B10R1.20 COC1=C(CCl)C=CC=C1 4651 [1,1,0,0,0,0|1,1,0]=4 728 B10R1.20 COC1=C(CN)C=CC=C1 7402 [1,1,0,0,0,0|1,0,0]=3 729 B10R1.20 COC1=C(CO)C=CC=C1 7736 [1,1,0,0,0,0|2,0,0]=4 730 B10R1.20 COC1=C(NN)C=CC=C1 16110 [1,1,0,0,0,0|2,0,0]=4 731 B10R1.20 COC1=C(NN)C=CC=C1 4496 [1,1,0,0,0,0|2,0,0]=4 732 B10R1.20 COC1=C(OC)C=CC=C1 15018 [1,1,0,0,0,0|2,0,0]=4 733 B10R1.20 COC1=C(SC)C=CC=C1 10651 [1,1,0,0,0,0|2,0,0]=4 734 B10R1.20 CSC1=C(C=O)C=CC=C1 10676 [1,1,0,0,0,0|2,0,0]=4 735 B10R1.20 ClCC1=C(CCl)C=CC=C1 10209 [1,1,0,0,0,0|1,1,0]=4 736 B10R1.20 N#CC1=C(CBr)C=CC=C1 7371 [1,1,0,0,0,0|0,0,2]=4 737 B10R1.20 N#CC1=C(CCl)C=CC=C1 7522 [1,1,0,0,0,0|2,0,0]=4 738 B10R1.20 N#CC1=C(CN)C=CC=C1 31759 [1,1,0,0,0,0|1,0,0]=3 739 B10R1.20 NCC1=C(CO)C=CC=C1 16185 [1,1,0,0,0,0|1,0,0]=3 740 B10R1.20 OCC1=CC=CC=C1CO 22613 [1,1,0,0,0,0|2,0,0]=4 741 B10R1.25 CC1=C(CN)C=CC(Br)=C1 19930 [1,1,0,0,0,0|1,0,0]=3 742 B10R1.25 CC1=C(CN)C=CC(O)=C1 27617 [1,1,0,0,0,0|1,0,0]=3 743 B10R1.25 CC1=C(CO)C=CC(Br)=C1 27441 [1,1,0,0,0,0|2,0,0]=4 744 B10R1.25 CC1=CC(C)=C(CO)C=C1 35348 [1,1,0,0,0,0|2,0,0]=4 745 B10R1.25 CC1=CC(C)=C(NN)C=C1 6399 [1,1,0,0,0,0|2,0,0]=4 746 B10R1.25 CC1=CC(Cl)=C(NN)C=C1 28906 [1,1,0,0,0,0|1,1,0]=4 747 B10R1.25 CC1=CC(Cl)=C(NN)C=C1 35435 [1,1,0,0,0,0|1,1,0]=4 748 B10R1.25 CC1=CC(Cl)=C(NN)C=C1 4481 [1,1,0,0,0,0|1,1,0]=4 749 B10R1.25 CCC1=C(Br)C=C(N)C=C1 27787 [1,1,0,0,0,0|0,0,0]=2 750 B10R1.25 CCC1=C(Cl)C=C(N)C=C1 27794 [1,1,0,0,0,0|0,1,0]=3 751 B10R1.25 CNC1=C(F)C=C(F)C=C1 10041 [1,1,0,0,0,0|1,1,0]=4 752 B10R1.25 CNC1=CC=C(Br)C=C1N 34299 [1,1,0,0,0,0|2,0,0]=4 753 B10R1.25 COC1=C(Br)C=C(Br)C=C1 3847 [1,1,0,0,0,0|1,0,0]=3 754 B10R1.25 COC1=C(Br)C=C(C)C=C1 3797 [1,1,0,0,0,0|1,0,0]=3 755 B10R1.25 COC1=C(Br)C=C(Cl)C=C1 2629 [1,1,0,0,0,0|1,0,0]=3 756 B10R1.25 COC1=C(Br)C=C(F)C=C1 1972 [1,1,0,0,0,0|1,0,0]=3 757 B10R1.25 COC1=C(Br)C=C(N)C=C1 16856 [1,1,0,0,0,0|1,0,0]=3 758 B10R1.25 COC1=C(Br)C=C(O)C=C1 31091 [1,1,0,0,0,0|1,0,0]=3 759 B10R1.25 COC1=C(Br)C=C(O)C=N1 34282 [1,1,0,0,0,0|2,0,0]=4 760 B10R1.25 COC1=C(C)C=C(Br)C=C1 3798 [1,1,0,0,0,0|2,0,0]=4 761 B10R1.25 COC1=C(C)C=C(C)C=C1 5359 [1,1,0,0,0,0|2,0,0]=4 762 B10R1.25 COC1=C(C)C=C(Cl)C=C1 2665 [1,1,0,0,0,0|2,0,0]=4 763 B10R1.25 COC1=C(C)C=C(F)C=C1 2622 [1,1,0,0,0,0|2,0,0]=4 764 B10R1.25 COC1=C(C)C=C(N)C=C1 15790 [1,1,0,0,0,0|2,0,0]=4 765 B10R1.25 COC1=C(C)C=C(O)C=C1 33186 [1,1,0,0,0,0|2,0,0]=4 766 B10R1.25 COC1=C(Cl)C=C(Br)C=C1 2630 [1,1,0,0,0,0|1,1,0]=4 767 B10R1.25 COC1=C(Cl)C=C(C)C=C1 27687 [1,1,0,0,0,0|1,1,0]=4 768 B10R1.25 COC1=C(Cl)C=C(F)C=C1 2658 [1,1,0,0,0,0|1,1,0]=4 769 B10R1.25 COC1=C(Cl)C=C(N)C=C1 17270 [1,1,0,0,0,0|1,1,0]=4 770 B10R1.25 COC1=C(Cl)C=C(O)C=C1 33443 [1,1,0,0,0,0|1,1,0]=4 771 B10R1.25 COC1=C(F)C=C(Br)C=C1 1971 [1,1,0,0,0,0|1,1,0]=4 772 B10R1.25 COC1=C(F)C=C(C)C=C1 24850 [1,1,0,0,0,0|1,1,0]=4 773 B10R1.25 COC1=C(F)C=C(Cl)C=C1 2662 [1,1,0,0,0,0|1,1,0]=4 774 B10R1.25 COC1=C(F)C=C(F)C=C1 3455 [1,1,0,0,0,0|1,1,0]=4 775 B10R1.25 COC1=C(F)C=C(N)C=C1 2125 [1,1,0,0,0,0|1,1,0]=4 776 B10R1.25 COC1=C(F)C=C(O)C=C1 2369 [1,1,0,0,0,0|1,1,0]=4 777 B10R1.25 COC1=C(F)C=C(S)C=C1 6875 [1,1,0,0,0,0|1,1,0]=4 778 B10R1.25 COC1=C(I)C=C(Cl)C=C1 14310 [1,1,0,0,0,0|1,1,0]=4 779 B10R1.25 COC1=C(I)C=C(N)C=C1 3307 [1,1,0,0,0,0|1,1,0]=4 780 B10R1.25 COC1=C(I)C=C(N)C=C1 3310 [1,1,0,0,0,0|1,1,0]=4 781 B10R1.25 COC1=C(N)C=C(F)C=C1 2256 [1,1,0,0,0,0|2,0,0]=4 782 B10R1.25 COC1=C(N)C=C(I)C=C1 28345 [1,1,0,0,0,0|2,0,0]=4 783 B10R1.25 COC1=C(N)C=C(N)C=C1 1905 [1,1,0,0,0,0|2,0,0]=4 784 B10R1.25 COC1=C(N)C=C(N)C=C1 24784 [1,1,0,0,0,0|2,0,0]=4 785 B10R1.25 COC1=C(N)C=C(N)C=C1 4107 [1,1,0,0,0,0|2,0,0]=4 786 B10R1.25 COC1=C(O)C=C(Br)C=C1 26431 [1,1,0,0,0,0|2,0,0]=4 787 B10R1.25 COC1=C(O)C=C(C)C=C1 31088 [1,1,0,0,0,0|2,0,0]=4 788 B10R1.25 COC1=C(O)C=C(F)C=C1 3882 [1,1,0,0,0,0|2,0,0]=4 789 B10R1.25 COC1=C(O)C=C(N)C=C1 3112 [1,1,0,0,0,0|2,0,0]=4 790 B10R1.25 COC1=NC=C(Br)C=C1Br 6581 [1,1,0,0,0,0|2,0,0]=4 791 B10R1.25 COC1=NC=C(Cl)C=C1Br 6584 [1,1,0,0,0,0|2,0,0]=4 792 B10R1.25 COC1=NC=C(F)C=C1Br 1175 [1,1,0,0,0,0|2,0,0]=4 793 B10R1.25 COC1=NC=C(N)C=C1Br 1147 [1,1,0,0,0,0|2,0,0]=4 794 B10R1.25 COc1ccc(Cl)cc1O 31127 [1,1,0,0,0,0|2,0,0]=4 795 B10R1.25 CSC1=C(C)C=C(O)C=C1 10656 [1,1,0,0,0,0|2,0,0]=4 796 B10R1.25 CSC1=C(F)C=C(F)C=C1 10719 [1,1,0,0,0,0|1,1,0]=4 797 B10R1.25 ClC1=C(CBr)C=CC(Br)=C1 31300 [1,1,0,0,0,0|1,1,0]=4 798 B10R1.25 ClC1=CC(Cl)=C(CBr)C=C1 27460 [1,1,0,0,0,0|1,1,0]=4 799 B10R1.25 ClCC1=C(Cl)C=C(Cl)C=C1 16507 [1,1,0,0,0,0|1,1,0]=4 800 B10R1.25 FC1=C(CBr)C=CC(Br)=C1 4887 [1,1,0,0,0,0|1,1,0]=4 801 B10R1.25 FC1=C(CBr)C=CC(Cl)=C1 4897 [1,1,0,0,0,0|1,1,0]=4 802 B10R1.25 FC1=CC(Br)=C(CBr)C=C1 4883 [1,1,0,0,0,0|1,0,0]=3 803 B10R1.25 FC1=CC(Cl)=C(CBr)C=C1 4893 [1,1,0,0,0,0|1,1,0]=4 804 B10R1.25 FC1=CC(Cl)=C(CCl)C=C1 36215 [1,1,0,0,0,0|1,1,0]=4 805 B10R1.25 FC1=CC(F)=C(CBr)C=C1 4911 [1,1,0,0,0,0|1,1,0]=4 806 B10R1.25 FC1=CC(F)=C(CCl)C=C1 4912 [1,1,0,0,0,0|1,1,0]=4 807 B10R1.25 N#CC1=C(Br)C=C(Cl)C=C1 27222 [1,1,0,0,0,0|0,0,2]=4 808 B10R1.25 N#CC1=C(Br)C=C(F)C=C1 3217 [1,1,0,0,0,0|0,0,2]=4 809 B10R1.25 N#CC1=C(Br)C=C(I)C=C1 25241 [1,1,0,0,0,0|0,0,2]=4 810 B10R1.25 N#CC1=C(Br)C=C(N)C=C1 30789 [1,1,0,0,0,0|0,0,2]=4 811 B10R1.25 NC1=C(CO)C=CC(Br)=C1 31328 [1,1,0,0,0,0|2,0,0]=4 812 B10R1.25 NCC1=C(Cl)C=C(F)C=C1 25411 [1,1,0,0,0,0|0,1,0]=3 813 B10R1.25 NCC1=C(F)C=C(Br)C=C1 12660 [1,1,0,0,0,0|0,1,0]=3 814 B10R1.25 NCC1=C(F)C=C(Br)C=C1 4709 [1,1,0,0,0,0|0,1,0]=3 815 B10R1.25 NCC1=C(F)C=C(Cl)C=C1 27456 [1,1,0,0,0,0|0,1,0]=3 816 B10R1.25 NCC1=C(F)C=C(Cl)C=C1 3428 [1,1,0,0,0,0|0,1,0]=3 817 B10R1.25 NCC1=C(F)C=C(F)C=C1 4399 [1,1,0,0,0,0|0,1,0]=3 818 B10R1.25 NNC1=C(Cl)C=C(Cl)C=C1 4486 [1,1,0,0,0,0|1,1,0]=4 819 B10R1.25 NNC1=C(Cl)C=C(Cl)C=C1 7524 [1,1,0,0,0,0|1,1,0]=4 820 B10R1.25 NNC1=C(Cl)C=C(F)C=C1 4469 [1,1,0,0,0,0|1,1,0]=4 821 B10R1.25 NNC1=C(F)C=C(Br)C=C1 4467 [1,1,0,0,0,0|1,1,0]=4 822 B10R1.25 NNC1=C(F)C=C(F)C=C1 3498 [1,1,0,0,0,0|1,1,0]=4 823 B10R1.25 NNC1=C(F)C=C(I)C=C1 3359 [1,1,0,0,0,0|1,1,0]=4 824 B10R1.25 O=CC1=C(Br)C=C(Br)C=C1 28404 [1,1,0,0,0,0|1,0,1]=4 825 B10R1.25 O=CC1=C(Br)C=C(Cl)C=C1 16872 [1,1,0,0,0,0|1,0,1]=4 826 B10R1.25 O=CC1=C(Br)C=C(F)C=C1 2877 [1,1,0,0,0,0|1,0,1]=4 827 B10R1.25 O=CC1=C(Br)C=C(I)C=C1 30961 [1,1,0,0,0,0|1,0,1]=4 828 B10R1.25 O=CC1=C(Br)C=C(O)C=C1 28099 [1,1,0,0,0,0|1,0,1]=4 829 B10R1.25 OCC1=C(Br)C=C(Br)C=C1 9781 [1,1,0,0,0,0|1,0,0]=3 830 B10R1.25 OCC1=C(Br)C=C(F)C=C1 3222 [1,1,0,0,0,0|1,0,0]=3 831 B10R1.25 OCC1=C(Br)C=C(I)C=C1 31340 [1,1,0,0,0,0|1,0,0]=3 832 B10R1.25 OCC1=C(Cl)C=C(Cl)C=C1 9993 [1,1,0,0,0,0|1,1,0]=4 833 B10R1.25 OCC1=C(Cl)C=C(F)C=C1 3426 [1,1,0,0,0,0|1,1,0]=4 834 B10R1.25 OCC1=C(Cl)C=C(O)C=C1 31313 [1,1,0,0,0,0|1,1,0]=4 835 B10R1.25 OCC1=C(F)C=C(Br)C=C1 3223 [1,1,0,0,0,0|1,1,0]=4 836 B10R1.25 OCC1=C(F)C=C(Cl)C=C1 26669 [1,1,0,0,0,0|1,1,0]=4 837 B10R1.25 OCC1=C(F)C=C(F)C=C1 4910 [1,1,0,0,0,0|1,1,0]=4 838 B10R1.25 OCC1=C(I)C=C(F)C=C1 31350 [1,1,0,0,0,0|1,1,0]=4 839 B10R1.25 OCC1=C(O)C=C(Br)C=C1 15237 [1,1,0,0,0,0|2,0,0]=4 840 B10R1.30 BrCC1=C(Br)C=CC(I)=C1 31312 [1,1,0,0,0,0|1,0,0]=3 841 B10R1.30 BrCC1=C(I)C=CC(Br)=C1 31317 [1,1,0,0,0,0|1,1,0]=4 842 B10R1.30 C=CC1=C(Br)C=CC(F)=C1 16646 [1,1,0,0,0,0|0,0,2]=4 843 B10R1.30 CC1=C(CBr)C=C(F)C=C1 4927 [1,1,0,0,0,0|2,0,0]=4 844 B10R1.30 CC1=C(CBr)C=C(I)C=C1 13831 [1,1,0,0,0,0|2,0,0]=4 845 B10R1.30 CC1=C(CCl)C=C(F)C=C1 4926 [1,1,0,0,0,0|2,0,0]=4 846 B10R1.30 CC1=C(CO)C=C(Br)C=C1 44861 [1,1,0,0,0,0|2,0,0]=4 847 B10R1.30 CC1=C(NN)C=C(F)C=C1 1087 [1,1,0,0,0,0|2,0,0]=4 848 B10R1.30 CC1=CC(C#N)=C(Br)C=C1 14563 [1,1,0,0,0,0|0,0,2]=4 849 B10R1.30 CC1=CC(C=O)=C(Br)C=C1 16748 [1,1,0,0,0,0|1,0,1]=4 850 B10R1.30 CC1=CC(CBr)=C(C)C=C1 31376 [1,1,0,0,0,0|2,0,0]=4 851 B10R1.30 CC1=CC(CN)=C(C)C=C1 7405 [1,1,0,0,0,0|1,0,0]=3 852 B10R1.30 CC1=CC(NN)=C(C)C=C1 6400 [1,1,0,0,0,0|2,0,0]=4 853 B10R1.30 CCC1=C(Cl)C=CC(O)=C1 2213 [1,1,0,0,0,0|0,1,0]=3 854 B10R1.30 CCC1=C(F)C=CC(O)=C1 27790 [1,1,0,0,0,0|0,1,0]=3 855 B10R1.30 CCC1=C(I)C=CC(Br)=C1 3773 [1,1,0,0,0,0|0,1,0]=3 856 B10R1.30 CCC1=C(N)C=CC(Br)=C1 23174 [1,1,0,0,0,0|1,0,0]=3 857 B10R1.30 CCC1=C(N)C=CC(Br)=C1 3769 [1,1,0,0,0,0|1,0,0]=3 858 B10R1.30 CCC1=NC(C)=CC=C1O 35102 [1,1,0,0,0,0|2,0,0]=4 859 B10R1.30 CNC1=C(O)C=CC(N)=C1 20872 [1,1,0,0,0,0|2,0,0]=4 860 B10R1.30 CNC1=CC(Br)=CC=C1N 18337 [1,1,0,0,0,0|2,0,0]=4 861 B10R1.30 COC1=C(Br)C=CC(Br)=C1 5357 [1,1,0,0,0,0|1,0,0]=3 862 B10R1.30 COC1=C(Br)C=CC(C)=C1 4136 [1,1,0,0,0,0|1,0,0]=3 863 B10R1.30 COC1=C(Br)C=CC(Cl)=C1 5265 [1,1,0,0,0,0|1,0,0]=3 864 B10R1.30 COC1=C(Br)C=CC(F)=C1 4091 [1,1,0,0,0,0|1,0,0]=3 865 B10R1.30 COC1=C(Br)C=CC(I)=C1 5333 [1,1,0,0,0,0|1,0,0]=3 866 B10R1.30 COC1=C(Br)C=CC(N)=C1 3794 [1,1,0,0,0,0|1,0,0]=3 867 B10R1.30 COC1=C(Br)C=CC(O)=C1 13260 [1,1,0,0,0,0|1,0,0]=3 868 B10R1.30 COC1=C(C)C=CC(Br)=C1 25292 [1,1,0,0,0,0|2,0,0]=4 869 B10R1.30 COC1=C(C)C=CC(C)=C1 5360 [1,1,0,0,0,0|2,0,0]=4 870 B10R1.30 COC1=C(C)C=CC(Cl)=C1 2667 [1,1,0,0,0,0|2,0,0]=4 871 B10R1.30 COC1=C(C)C=CC(F)=C1 2624 [1,1,0,0,0,0|2,0,0]=4 872 B10R1.30 COC1=C(C)C=CC(N)=C1 3329 [1,1,0,0,0,0|2,0,0]=4 873 B10R1.30 COC1=C(Cl)C=CC(Br)=C1 2632 [1,1,0,0,0,0|1,1,0]=4 874 B10R1.30 COC1=C(Cl)C=CC(C)=C1 5299 [1,1,0,0,0,0|1,1,0]=4 875 B10R1.30 COC1=C(Cl)C=CC(Cl)=C1 3681 [1,1,0,0,0,0|1,1,0]=4 876 B10R1.30 COC1=C(Cl)C=CC(F)=C1 2659 [1,1,0,0,0,0|1,1,0]=4 877 B10R1.30 COC1=C(Cl)C=CC(I)=C1 5289 [1,1,0,0,0,0|1,1,0]=4 878 B10R1.30 COC1=C(Cl)C=CC(N)=C1 3659 [1,1,0,0,0,0|1,1,0]=4 879 B10R1.30 COC1=C(Cl)C=CC(O)=C1 28110 [1,1,0,0,0,0|1,1,0]=4 880 B10R1.30 COC1=C(F)C=CC(Br)=C1 18513 [1,1,0,0,0,0|1,1,0]=4 881 B10R1.30 COC1=C(F)C=CC(C)=C1 8487 [1,1,0,0,0,0|1,1,0]=4 882 B10R1.30 COC1=C(F)C=CC(F)=C1 3456 [1,1,0,0,0,0|1,1,0]=4 883 B10R1.30 COC1=C(F)C=CC(N)=C1 14566 [1,1,0,0,0,0|1,1,0]=4 884 B10R1.30 COC1=C(F)C=CC(N)=C1 3022 [1,1,0,0,0,0|1,1,0]=4 885 B10R1.30 COC1=C(F)C=CC(O)=C1 14358 [1,1,0,0,0,0|1,1,0]=4 886 B10R1.30 COC1=C(I)C=CC(Br)=C1 28357 [1,1,0,0,0,0|1,1,0]=4 887 B10R1.30 COC1=C(I)C=CC(Cl)=C1 5293 [1,1,0,0,0,0|1,1,0]=4 888 B10R1.30 COC1=C(I)C=CC(I)=C1 28130 [1,1,0,0,0,0|1,1,0]=4 889 B10R1.30 COC1=C(I)C=CC(N)=C1 5352 [1,1,0,0,0,0|1,1,0]=4 890 B10R1.30 COC1=C(N)C=CC(Br)=C1 2258 [1,1,0,0,0,0|2,0,0]=4 891 B10R1.30 COC1=C(N)C=CC(F)=C1 28343 [1,1,0,0,0,0|2,0,0]=4 892 B10R1.30 COC1=C(N)C=CC(I)=C1 25591 [1,1,0,0,0,0|2,0,0]=4 893 B10R1.30 COC1=C(N)C=CC(O)=C1 18733 [1,1,0,0,0,0|2,0,0]=4 894 B10R1.30 COC1=C(N)C=CC(O)=C1 26950 [1,1,0,0,0,0|2,0,0]=4 895 B10R1.30 COC1=C(O)C=CC(Br)=C1 17271 [1,1,0,0,0,0|2,0,0]=4 896 B10R1.30 COC1=C(O)C=CC(Cl)=C1 3665 [1,1,0,0,0,0|2,0,0]=4 897 B10R1.30 COC1=C(O)C=CC(F)=C1 3880 [1,1,0,0,0,0|2,0,0]=4 898 B10R1.30 COC1=C(O)C=CC(I)=C1 17587 [1,1,0,0,0,0|2,0,0]=4 899 B10R1.30 COC1=C(O)C=CC(N)=C1 14144 [1,1,0,0,0,0|2,0,0]=4 900 B10R1.30 COC1=C(O)C=CC(N)=C1 33372 [1,1,0,0,0,0|2,0,0]=4 901 B10R1.30 COC1=CC(Cl)=CN=C1Br 5915 [1,1,0,0,0,0|2,0,0]=4 902 B10R1.30 COC1=CC(I)=CN=C1Br 28124 [1,1,0,0,0,0|2,0,0]=4 903 B10R1.30 COC1=NC(C)=CC=C1Br 8122 [1,1,0,0,0,0|2,0,0]=4 904 B10R1.30 ClC1=C(CBr)C=C(I)C=C1 25801 [1,1,0,0,0,0|1,1,0]=4 905 B10R1.30 ClC1=CC(CBr)=C(Cl)C=C1 10208 [1,1,0,0,0,0|1,1,0]=4 906 B10R1.30 ClCC1=C(Cl)C=CC(Br)=C1 22498 [1,1,0,0,0,0|1,1,0]=4 907 B10R1.30 ClCC1=C(Cl)C=CC(I)=C1 27444 [1,1,0,0,0,0|1,1,0]=4 908 B10R1.30 FC1=C(CBr)C=C(Br)C=C1 25800 [1,1,0,0,0,0|1,1,0]=4 909 B10R1.30 FC1=C(CBr)C=C(Cl)C=C1 4899 [1,1,0,0,0,0|1,1,0]=4 910 B10R1.30 FC1=CC(CBr)=C(Br)C=C1 1953 [1,1,0,0,0,0|1,0,0]=3 911 B10R1.30 FC1=CC(CBr)=C(Cl)C=C1 7498 [1,1,0,0,0,0|1,1,0]=4 912 B10R1.30 FC1=CC(CBr)=C(F)C=C1 10213 [1,1,0,0,0,0|1,1,0]=4 913 B10R1.30 FC1=CC(CCl)=C(Br)C=C1 1952 [1,1,0,0,0,0|1,0,0]=3 914 B10R1.30 N#CC1=C(Br)C=CC(Cl)=C1 24744 [1,1,0,0,0,0|0,0,2]=4 915 B10R1.30 N#CC1=C(Br)C=CC(F)=C1 3218 [1,1,0,0,0,0|0,0,2]=4 916 B10R1.30 N#CC1=C(Br)C=CC(I)=C1 28721 [1,1,0,0,0,0|0,0,2]=4 917 B10R1.30 N#CC1=C(Br)C=CC(N)=C1 26438 [1,1,0,0,0,0|0,0,2]=4 918 B10R1.30 N#CC1=C(Br)C=CC(O)=C1 9770 [1,1,0,0,0,0|0,0,2]=4 919 B10R1.30 NC1=C(CO)C=C(Cl)C=C1 24123 [1,1,0,0,0,0|2,0,0]=4 920 B10R1.30 NC1=CC(CO)=C(Cl)C=C1 28794 [1,1,0,0,0,0|1,1,0]=4 921 B10R1.30 NCC1=C(Br)C=CC(F)=C1 3225 [1,1,0,0,0,0|0,0,0]=2 922 B10R1.30 NCC1=C(Cl)C=CC(Cl)=C1 23431 [1,1,0,0,0,0|0,1,0]=3 923 B10R1.30 NCC1=C(Cl)C=CC(Cl)=C1 31261 [1,1,0,0,0,0|0,1,0]=3 924 B10R1.30 NCC1=C(Cl)C=CC(F)=C1 4371 [1,1,0,0,0,0|0,1,0]=3 925 B10R1.30 NCC1=C(F)C=CC(Br)=C1 3227 [1,1,0,0,0,0|0,1,0]=3 926 B10R1.30 NCC1=C(F)C=CC(Cl)=C1 4378 [1,1,0,0,0,0|0,1,0]=3 927 B10R1.30 NCC1=C(F)C=CC(F)=C1 4401 [1,1,0,0,0,0|0,1,0]=3 928 B10R1.30 NCc1cc(Br)ccc1Br 31252 [1,1,0,0,0,0|0,0,0]=2 929 B10R1.30 NNC1=C(Cl)C=CC(Cl)=C1 7525 [1,1,0,0,0,0|1,1,0]=4 930 B10R1.30 NNC1=C(Cl)C=CC(F)=C1 28905 [1,1,0,0,0,0|1,1,0]=4 931 B10R1.30 NNC1=C(F)C=CC(Cl)=C1 4471 [1,1,0,0,0,0|1,1,0]=4 932 B10R1.30 NNC1=C(F)C=CC(F)=C1 1082 [1,1,0,0,0,0|1,1,0]=4 933 B10R1.30 NNC1=C(F)C=CC(F)=C1 2467 [1,1,0,0,0,0|1,1,0]=4 934 B10R1.30 O=CC1=C(Br)C=CC(Br)=C1 30882 [1,1,0,0,0,0|1,0,1]=4 935 B10R1.30 O=CC1=C(Br)C=CC(Cl)=C1 19849 [1,1,0,0,0,0|1,0,1]=4 936 B10R1.30 O=CC1=C(Br)C=CC(F)=C1 1418 [1,1,0,0,0,0|1,0,1]=4 937 B10R1.30 O=CC1=C(Br)C=CC(I)=C1 30930 [1,1,0,0,0,0|1,0,1]=4 938 B10R1.30 O=CC1=C(Br)C=CC(O)=C1 14430 [1,1,0,0,0,0|1,0,1]=4 939 B10R1.30 OCC1=C(Br)C=CC(F)=C1 1963 [1,1,0,0,0,0|1,0,0]=3 940 B10R1.30 OCC1=C(Br)C=CC(I)=C1 27439 [1,1,0,0,0,0|1,0,0]=3 941 B10R1.30 OCC1=C(Cl)C=CC(Br)=C1 4881 [1,1,0,0,0,0|1,1,0]=4 942 B10R1.30 OCC1=C(F)C=CC(Br)=C1 3224 [1,1,0,0,0,0|1,1,0]=4 943 B10R1.30 OCC1=C(F)C=CC(F)=C1 4913 [1,1,0,0,0,0|1,1,0]=4 944 B10R1.30 OCC1=C(I)C=CC(Br)=C1 31316 [1,1,0,0,0,0|1,1,0]=4 945 B10R1.30 OCC1=C(S)C=CC(F)=C1 19636 [1,1,0,0,0,0|2,0,0]=4 946 B10R1.30 OCC1=CC(Br)=CC=C1O 22564 [1,1,0,0,0,0|2,0,0]=4 947 B10R1.61 CC(=O)C1=C(Br)C=CC=C1 3086 [1,1,0,0,0,0|0,0,1]=3 948 B10R1.61 CC(=O)C1=C(C)C=CC=C1 3090 [1,1,0,0,0,0|1,0,1]=4 949 B10R1.61 CC(=O)C1=C(Cl)C=CC=C1 3084 [1,1,0,0,0,0|0,1,1]=4 950 B10R1.61 CC(=O)C1=C(F)C=CC=C1 22574 [1,1,0,0,0,0|0,1,1]=4 951 B10R1.61 CC(=O)C1=C(I)C=CC=C1 3893 [1,1,0,0,0,0|0,1,1]=4 952 B10R1.61 CC(=O)C1=C(O)C=CC=C1 23010 [1,1,0,0,0,0|1,0,1]=4 953 B10R1.61 CC(C)C1=C(Br)C=CC=C1 16461 [1,1,0,0,0,0|0,0,0]=2 954 B10R1.61 CC(C)C1=C(Cl)C=NC=C1 6618 [1,1,0,0,0,0|1,1,0]=4 955 B10R1.61 CC(C)C1=C(I)C=CC=C1 12584 [1,1,0,0,0,0|0,1,0]=3 956 B10R1.61 CC(C)C1=C(O)C=CN=C1 35264 [1,1,0,0,0,0|2,0,0]=4 957 B10R1.61 CC(C)C1=C(S)C=CC=C1 6880 [1,1,0,0,0,0|1,0,0]=3 958 B10R1.61 CC(C)C1=CC=CN=C1Cl 6145 [1,1,0,0,0,0|1,1,0]=4 959 B10R1.61 CC(C)C1=NC=CC=C1Br 32481 [1,1,0,0,0,0|1,0,0]=3 960 B10R1.61 CC1=C(C(Cl)Cl)C=CC=C1 10210 [1,1,0,0,0,0|2,0,0]=4 961 B10R1.61 CN(C)C1=C(Br)C=CC=C1 3759 [1,1,0,0,0,0|1,0,0]=3 962 B10R1.61 CN(C)C1=C(Cl)C=CC=C1 5269 [1,1,0,0,0,0|1,1,0]=4 963 B10R1.61 CN(C)C1=C(F)C=CC=C1 5243 [1,1,0,0,0,0|1,1,0]=4 964 B10R1.61 C[C@@H](N)C1=C(Cl)C=CC=C1 24734 [1,1,0,0,0,0|0,1,0]=3 965 B10R1.61 C[C@@H](N)C1=C(O)C=CC=C1 23367 [1,1,0,0,0,0|1,0,0]=3 966 B10R1.61 C[C@@H](O)C1=C(Br)C=CC=C1 5686 [1,1,0,0,0,0|0,0,0]=2 967 B10R1.61 C[C@@H](O)C1=C(Cl)C=CC=C1 3980 [1,1,0,0,0,0|0,1,0]=3 968 B10R1.61 C[C@@H](O)C1=C(F)C=CC=C1 24769 [1,1,0,0,0,0|0,1,0]=3 969 B10R1.61 C[C@H](N)C1=C(Cl)C=CC=C1 24731 [1,1,0,0,0,0|0,1,0]=3 970 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 15728 [1,1,0,0,0,0|0,1,0]=3 971 B10R1.61 C[C@H](O)C1=C(Br)C=CC=C1 5682 [1,1,0,0,0,0|0,0,0]=2 972 B10R1.61 C[C@H](O)C1=C(Cl)C=CC=C1 5670 [1,1,0,0,0,0|0,1,0]=3 973 B10R1.61 C[C@H](O)C1=C(F)C=CC=C1 24768 [1,1,0,0,0,0|0,1,0]=3 974 B10R1.61 NC(=O)C1=C(Br)C=CC=C1 3733 [1,1,0,0,0,0|0,0,1]=3 975 B10R1.61 NC(=O)C1=C(Br)C=NC=C1 22133 [1,1,0,0,0,0|1,0,1]=4 976 B10R1.61 NC(=O)C1=C(Cl)C=CC=C1 3617 [1,1,0,0,0,0|0,1,1]=4 977 B10R1.61 NC(=O)C1=C(F)C=CC=C1 3405 [1,1,0,0,0,0|0,1,1]=4 978 B10R1.61 NC(=O)C1=C(I)C=CC=C1 3299 [1,1,0,0,0,0|0,1,1]=4 979 B10R1.61 NC(=O)C1=CC=CC=C1N 13631 [1,1,0,0,0,0|1,0,1]=4 980 B10R1.61 NC(=O)C1=CC=CC=C1O 10992 [1,1,0,0,0,0|1,0,1]=4 981 B10R1.61 NC(=O)c1cccnc1Br 10860 [1,1,0,0,0,0|1,0,1]=4 982 B10R1.61 O=C(Cl)C1=C(Br)C=CC=C1 12510 [1,1,0,0,0,0|1,0,1]=4 983 B10R1.61 O=C(O)C1=C(Br)C=CC=C1 3739 [1,1,0,0,0,0|1,0,1]=4 984 B10R1.61 O=[N+]([O-])C1=C(Br)C=CC=C1 3819 [1,1,0,0,0,0|2,0,0]=4 985 B10R1.61 OB(O)C1=C(Br)C=CC=C1 13095 [1,1,0,0,0,0|2,0,0]=4 986 B10R1.245 CC1=CC=CC(Br)=C1C#N 22122 [1,1,0,0,0,0|0,0,2]=4 987 B10R1.245 CC1=CC=CC(C)=C1CBr 31264 [1,1,0,0,0,0|2,0,0]=4 988 B10R1.245 CC1=CC=CC(C)=C1CCl 16611 [1,1,0,0,0,0|2,0,0]=4 989 B10R1.245 CC1=CC=CC(C)=C1CN 7406 [1,1,0,0,0,0|1,0,0]=3 990 B10R1.245 CCC1=C(O)C=CC=C1N 28129 [1,1,0,0,0,0|1,0,0]=3 991 B10R1.245 CNC1=C(F)C=CC=C1F 34785 [1,1,0,0,0,0|1,1,0]=4 992 B10R1.245 COC1=C(Br)C=CC=C1Br 4108 [1,1,0,0,0,0|1,0,0]=3 993 B10R1.245 COC1=C(Br)C=CC=C1F 4126 [1,1,0,0,0,0|1,0,0]=3 994 B10R1.245 COC1=C(C)C=CC=C1C 4115 [1,1,0,0,0,0|2,0,0]=4 995 B10R1.245 COC1=C(Cl)C=CC=C1C 5300 [1,1,0,0,0,0|1,1,0]=4 996 B10R1.245 COC1=C(Cl)C=CC=C1Cl 3682 [1,1,0,0,0,0|1,1,0]=4 997 B10R1.245 COC1=C(Cl)C=CC=C1F 20256 [1,1,0,0,0,0|1,1,0]=4 998 B10R1.245 COC1=C(F)C=CC=C1F 1968 [1,1,0,0,0,0|1,1,0]=4 999 B10R1.245 COC1=C(F)C=CC=C1I 3054 [1,1,0,0,0,0|1,1,0]=4 1000 B10R1.245 COC1=C(I)C=CN=C1Br 26876 [1,1,0,0,0,0|2,0,0]=4 1001 B10R1.245 COC1=C(N)C=CC=C1Br 17787 [1,1,0,0,0,0|1,0,0]=3 1002 B10R1.245 COC1=C(N)C=CC=C1Cl 31013 [1,1,0,0,0,0|1,1,0]=4 1003 B10R1.245 COC1=C(N)C=CC=C1F 3021 [1,1,0,0,0,0|1,1,0]=4 1004 B10R1.245 COC1=C(O)C=CC=C1Br 28106 [1,1,0,0,0,0|1,0,0]=3 1005 B10R1.245 COC1=C(O)C=CC=C1Cl 27362 [1,1,0,0,0,0|1,1,0]=4 1006 B10R1.245 COC1=C(O)C=CC=C1F 33437 [1,1,0,0,0,0|1,1,0]=4 1007 B10R1.245 COC1=C(O)C=CN=C1Br 27180 [1,1,0,0,0,0|2,0,0]=4 1008 B10R1.245 CSC1=C(O)C=CC=C1Br 27603 [1,1,0,0,0,0|1,0,0]=3 1009 B10R1.245 Cc1cccc(Br)c1CBr 31341 [1,1,0,0,0,0|1,0,0]=3 1010 B10R1.245 ClCC1=C(Cl)C=CC=C1Cl 17522 [1,1,0,0,0,0|1,1,0]=4 1011 B10R1.245 FC1=CC=CC(Br)=C1CBr 31302 [1,1,0,0,0,0|1,0,0]=3 1012 B10R1.245 FC1=CC=CC(Cl)=C1CBr 4894 [1,1,0,0,0,0|1,1,0]=4 1013 B10R1.245 FC1=CC=CC(Cl)=C1CCl 7497 [1,1,0,0,0,0|1,1,0]=4 1014 B10R1.245 FC1=CC=CC(F)=C1CBr 4915 [1,1,0,0,0,0|1,1,0]=4 1015 B10R1.245 FC1=CC=CC(F)=C1CCl 2178 [1,1,0,0,0,0|1,1,0]=4 1016 B10R1.245 N#CC1=C(Br)C=CC=C1Cl 28713 [1,1,0,0,0,0|0,0,2]=4 1017 B10R1.245 N#CC1=C(Br)C=CC=C1Cl 30768 [1,1,0,0,0,0|0,0,2]=4 1018 B10R1.245 N#CC1=C(Br)C=CC=C1F 2221 [1,1,0,0,0,0|0,0,2]=4 1019 B10R1.245 N#CC1=C(Br)C=CC=C1I 30769 [1,1,0,0,0,0|0,0,2]=4 1020 B10R1.245 N#CC1=C(Br)C=CC=C1O 28720 [1,1,0,0,0,0|0,0,2]=4 1021 B10R1.245 N#CC1=C(N)C=CC=C1Br 12005 [1,1,0,0,0,0|0,0,2]=4 1022 B10R1.245 NCC1=C(Cl)C=CC=C1Cl 15690 [1,1,0,0,0,0|0,1,0]=3 1023 B10R1.245 NCC1=C(Cl)C=CC=C1F 19391 [1,1,0,0,0,0|0,1,0]=3 1024 B10R1.245 NCC1=C(F)C=CC=C1F 2235 [1,1,0,0,0,0|0,1,0]=3 1025 B10R1.245 NCC1=C(N)C=CC=C1F 4705 [1,1,0,0,0,0|0,1,0]=3 1026 B10R1.245 NNC1=C(Cl)C=CC=C1F 3509 [1,1,0,0,0,0|1,1,0]=4 1027 B10R1.245 NNC1=C(F)C=CC=C1F 1083 [1,1,0,0,0,0|1,1,0]=4 1028 B10R1.245 NNc1c(F)cccc1F 28907 [1,1,0,0,0,0|1,1,0]=4 1029 B10R1.245 O=CC1=C(Br)C=CC=C1Cl 27373 [1,1,0,0,0,0|1,0,1]=4 1030 B10R1.245 O=CC1=C(Br)C=CC=C1F 1419 [1,1,0,0,0,0|1,0,1]=4 1031 B10R1.245 O=CC1=C(Br)C=CC=C1O 17006 [1,1,0,0,0,0|1,0,1]=4 1032 B10R1.245 OCC1=C(Cl)C=CC=C1Cl 14857 [1,1,0,0,0,0|1,1,0]=4 1033 B10R1.245 OCC1=C(Cl)C=CC=C1F 3427 [1,1,0,0,0,0|1,1,0]=4 1034 B10R1.245 OCC1=C(F)C=CC=C1F 4914 [1,1,0,0,0,0|1,1,0]=4 1035 B10R1.245 OCC1=C(F)C=CC=C1I 27470 [1,1,0,0,0,0|1,1,0]=4 1036 B10R1.187 NCCN1C(=O)C=CC1=O 11805 [0,1,0,0,1,0|2,0,0]=4 1037 B10R1.187 NCCN1C(=O)C=CC1=O 11806 [0,1,0,0,1,0|2,0,0]=4 1038 B12R1.24 CCC(=O)C1=C(Br)C(F)=CC=C1 34290 [0,2,0,0,0,0|1,0,1]=4 1039 B12R1.25 CCCOC1=C(F)C(F)=CC=C1 21556 [0,2,0,0,0,0|1,1,0]=4 1040 B12R1.224 CC1=CC=CC(CC(=O)O)=C1Br 31485 [0,2,0,0,0,0|1,0,1]=4 1041 B12R1.224 FC1=CC=CC(OC(F)F)=C1Br 31151 [0,2,0,0,0,0|2,0,0]=4 1042 B12R1.224 O=C(O)CC1=C(Br)C(Cl)=CC=C1 31465 [0,2,0,0,0,0|1,0,1]=4 1043 B12R1.544 N#CCC1=C(Br)C(F)=C(F)C=C1 31515 [0,2,0,0,0,0|0,0,2]=4 1044 B12R1.69 CCCCC1=C(O)C=C(O)C=C1 34144 [0,2,0,0,0,0|2,0,0]=4 1045 B12R1.69 CCCOC1=C(S)C=C(Cl)C=C1 6859 [0,2,0,0,0,0|2,0,0]=4 1046 B12R1.69 COCOC1=C(Br)C=C(C)C=C1 15107 [0,2,0,0,0,0|2,0,0]=4 1047 B12R1.69 ClC1=CC(Cl)=C(OCCBr)C=C1 3151 [0,2,0,0,0,0|1,1,0]=4 1048 B12R1.69 NC1=CC(N)=C(OCCO)C=C1 22224 [0,2,0,0,0,0|2,0,0]=4 1049 B12R1.121 CCCOC1=C(C=O)C=CC=C1 3160 [0,2,0,0,0,0|2,0,0]=4 1050 B12R1.121 COC1=C(OCCBr)C=CC=C1 3133 [0,2,0,0,0,0|2,0,0]=4 1051 B12R1.121 COC1=C(OCCN)C=CC=C1 20696 [0,2,0,0,0,0|1,0,0]=3 1052 B12R1.121 COC1=C(OCCN)C=CC=C1 20697 [0,2,0,0,0,0|1,0,0]=3 1053 B12R1.125 CC1=C(CCC(=O)O)C=CC=C1 31589 [0,2,0,0,0,0|2,0,0]=4 1054 B12R1.125 O=C(O)CCC1=C(Br)C=CC=C1 15787 [0,2,0,0,0,0|1,0,0]=3 1055 B12R1.125 O=C(O)CCC1=C(Cl)C=CC=C1 19768 [0,2,0,0,0,0|1,1,0]=4 1056 B12R1.267 C=CCCOC1=CC=CN=C1Br 19242 [0,2,0,0,0,0|2,0,0]=4 1057 B12R1.267 CC1=C(OCCCN)C=CC=C1 19190 [0,2,0,0,0,0|1,0,0]=3 1058 B12R1.267 CCCCOC1=CC=CN=C1Br 5768 [0,2,0,0,0,0|2,0,0]=4 1059 B12R1.267 N#CCCNC1=C(Cl)C=CC=C1 22029 [0,2,0,0,0,0|0,1,1]=4 1060 B12R1.267 NCCCOC1=C(Cl)C=CC=C1 19182 [0,2,0,0,0,0|0,1,0]=3 1061 B12R1.267 NCCCOC1=C(F)C=CC=C1 19167 [0,2,0,0,0,0|0,1,0]=3 1062 B12R1.308 CCCC(=O)C1=C(O)C=CC=C1 21426 [0,2,0,0,0,0|2,0,0]=4 1063 B12R1.308 CCOC(=O)C1=C(Br)C=CC=C1 3937 [0,2,0,0,0,0|1,0,1]=4 1064 B12R1.308 N#CCC(=O)C1=C(Br)C=CC=C1 12044 [0,2,0,0,0,0|0,0,2]=4 1065 B12R1.371 COC(=O)CC1=C(Br)C=CC=C1 25827 [0,2,0,0,0,0|1,0,1]=4 1066 B12R1.75 FC(F)OC1=C(CBr)C=CC=C1 24566 [0,2,0,0,0,0|2,0,0]=4 1067 B12R1.77 COc1ccccc1C(=O)CN 20067 [0,2,0,0,0,0|1,0,1]=4 1068 B12R1.283 O=[N+]([O-])C1=C(CCO)C=CC=C1 29211 [0,2,0,0,0,0|2,0,0]=4 1069 B12R1.114 CCOC1=C(Br)C=C(C=O)C=C1 2640 [0,2,0,0,0,0|2,0,0]=4 1070 B12R1.233 O=C(O)CC1=C(Br)C=C(Cl)C=C1 11165 [0,2,0,0,0,0|1,0,1]=4 1071 B12R1.233 O=C(O)CC1=C(Br)C=C(F)C=C1 2703 [0,2,0,0,0,0|1,0,1]=4 1072 B12R1.1123 OCCC1=C(F)C=C(F)C(F)=C1 28827 [0,2,0,0,0,0|1,1,0]=4 1073 B12R1.1703 NCC(=O)C1=C(Cl)C=C(Cl)C=C1 18183 [0,2,0,0,0,0|0,1,1]=4 1074 B12R1.1703 NCC(=O)C1=C(F)C=C(F)C=C1 16751 [0,2,0,0,0,0|0,1,1]=4 1075 B12R1.1703 NCC(=O)C1=C(F)C=C(F)C=C1 22349 [0,2,0,0,0,0|0,1,1]=4 1076 B12R1.1703 NC[C@@H](O)C1=C(Cl)C=C(Cl)C=C1 19373 [0,2,0,0,0,0|0,1,0]=3 1077 B12R1.1703 OC[C@@H](O)C1=C(Cl)C=C(Cl)C=C1 35982 [0,2,0,0,0,0|1,1,0]=4 1078 B12R1.1703 O[C@H](CCl)C1=C(Cl)C=C(Cl)C=C1 30376 [0,2,0,0,0,0|1,1,0]=4 1079 B12R1.124 NC(C(=O)O)C1=C(Br)C=CC=C1 31443 [0,2,0,0,0,0|1,0,1]=4 1080 B12R1.127 CC1=CC(CC(=O)O)=C(Br)C=C1 31486 [0,2,0,0,0,0|1,0,1]=4 1081 B12R1.127 CC1=CC(CC(C)C)=C(Br)C=C1 35270 [0,2,0,0,0,0|1,0,0]=3 1082 B12R1.127 FC1=CC(OC(F)F)=C(Br)C=C1 31135 [0,2,0,0,0,0|2,0,0]=4 1083 B12R1.127 O=C(O)CC1=C(Br)C=CC(Br)=C1 24114 [0,2,0,0,0,0|1,0,1]=4 1084 B12R1.127 O=C(O)CC1=C(Br)C=CC(Cl)=C1 12486 [0,2,0,0,0,0|1,0,1]=4 1085 B12R1.127 O=C(O)CC1=C(Br)C=CC(F)=C1 16327 [0,2,0,0,0,0|1,0,1]=4 1086 B12R1.151 CC(C)(N)CC1=C(Br)C=CC=C1 34588 [0,2,0,0,0,0|0,0,0]=2 1087 B12R1.151 FC(F)(F)OC1=C(Br)C=CC=C1 1072 [0,2,0,0,0,0|2,0,0]=4 1088 B12R1.151 FC(F)(F)SC1=C(Br)C=CC=C1 20490 [0,2,0,0,0,0|2,0,0]=4 1089 B12R1.1009 O=C(O)CC1=C(Br)C=CC=C1Br 31422 [0,2,0,0,0,0|1,0,1]=4 1090 B12R1.270 CCOC1=C(Br)C=CC(C#N)=C1 7753 [0,2,0,0,0,0|2,0,0]=4 1091 B12R1.354 CCC(O)C1=C(F)C=CC(Br)=C1 20349 [0,2,0,0,0,0|1,1,0]=4 1092 B12R1.243 COC(OC)C1=C(Br)C=CC=C1 5376 [0,2,0,0,0,0|2,0,0]=4 1093 B10R2.6 C1=CC=C(C2CC2)C=C1 19698 [1,0,0,1,0,0|1,0,0]=3 1094 B10R2.6 C1=CC=C([C@@H]2CO2)C=C1 5831 [1,0,0,1,0,0|1,0,0]=3 1095 B10R2.6 C1=CC=C([C@H]2CO2)C=C1 5835 [1,0,0,1,0,0|1,0,0]=3 1096 B10R2.7 C1=CC2=C(C=C1)NC=N2 11074 [1,0,0,1,0,0|1,0,1]=4 1097 B10R2.7 C1=CC2=C(C=C1)NN=N2 16004 [1,0,0,1,0,0|2,0,0]=4 1098 B10R2.7 C1=CC2=C(C=C1)OCC2 6931 [1,0,0,1,0,0|1,0,0]=3 1099 B10R2.7 C1=CC2=C(C=C1)OCO2 2537 [1,0,0,1,0,0|2,0,0]=4 1100 B10R2.7 C1=CC=C2CC=CC2=C1 20728 [1,0,0,1,0,0|1,0,1]=4 1101 B10R2.7 C1=CC=C2CCCC2=C1 20379 [1,0,0,1,0,0|1,0,0]=3 1102 B10R2.7 C1=CC=C2CNCC2=C1 16248 [1,0,0,1,0,0|2,0,0]=4 1103 B10R2.7 C1=CC=C2CNCC2=C1 16512 [1,0,0,1,0,0|2,0,0]=4 1104 B10R2.7 C1=CC=C2CNCC2=C1 33470 [1,0,0,1,0,0|2,0,0]=4 1105 B10R2.7 C1=CC=C2NCCC2=C1 7502 [1,0,0,1,0,0|0,0,0]=2 1106 B10R2.7 C1=CC=C2NN=CC2=C1 15665 [1,0,0,1,0,0|1,0,1]=4 1107 B10R2.7 C1=CN=C2CCCC2=C1 15900 [1,0,0,1,0,0|2,0,0]=4 1108 B10R2.7 C1=CN=C2NCCC2=C1 18022 [1,0,0,1,0,0|1,0,0]=3 1109 B10R2.7 C1=NC=C2NCCC2=C1 18023 [1,0,0,1,0,0|1,0,0]=3 1110 B10R2.320 BrC1CC2=CC=CC=C21 36330 [1,0,0,1,0,0|1,0,0]=3 1111 B12R2.82 CC1=CC=C2NN=CC2=C1Br 34525 [0,1,0,1,0,0|1,0,1]=4 1112 B12R2.82 FC1=CC=C2NC=CC2=C1Br 26143 [0,1,0,1,0,0|0,0,2]=4 1113 B12R2.82 FC1=CC=C2NN=CC2=C1Br 28062 [0,1,0,1,0,0|1,0,1]=4 1114 B12R2.202 CC1=CC2=CC=CC(Br)=C2C1 24325 [0,1,0,1,0,0|1,0,1]=4 1115 B12R2.202 NC1=NC2=C(C=CC=C2Br)S1 21846 [0,1,0,1,0,0|1,0,1]=4 1116 B12R2.202 O=C1CC2=C(Br)C=CC=C2N1 7952 [0,1,0,1,0,0|0,0,1]=3 1117 B12R2.202 O=C1CC2=CC=CC(Br)=C2C1 18017 [0,1,0,1,0,0|1,0,1]=4 1118 B12R2.1081 BrC1=C2CCCNC2=CC=C1 24714 [0,1,0,1,0,0|0,0,0]=2 1119 B12R2.1081 BrC1=C2CCCNC2=CN=C1 14709 [0,1,0,1,0,0|1,0,0]=3 1120 B12R2.1081 BrC1=C2CCCNC2=CN=C1 21049 [0,1,0,1,0,0|1,0,0]=3 1121 B12R2.1081 BrC1=C2CCNCC2=CC=C1 24723 [0,1,0,1,0,0|0,0,0]=2 1122 B12R2.1081 BrC1=C2CNCCC2=CC=C1 24728 [0,1,0,1,0,0|1,0,0]=3 1123 B12R2.1081 BrC1=CN=CC2=C1NCCO2 27171 [0,1,0,1,0,0|2,0,0]=4 1124 B12R2.1081 CC1NCCC2=CC=CC=C21 13018 [0,1,0,1,0,0|1,0,0]=3 1125 B12R2.1081 ClC1=C2CCCNC2=CC=C1 27777 [0,1,0,1,0,0|0,1,0]=3 1126 B12R2.1081 ClC1=C2CCCNC2=CC=N1 15504 [0,1,0,1,0,0|1,1,0]=4 1127 B12R2.1081 ClC1=C2NCCCC2=CC=C1 27930 [0,1,0,1,0,0|1,1,0]=4 1128 B12R2.1081 FC1=C2CCCNC2=CC=C1 33719 [0,1,0,1,0,0|0,1,0]=3 1129 B12R2.1081 FC1=C2CCCNC2=CC=C1 33720 [0,1,0,1,0,0|0,1,0]=3 1130 B12R2.1081 FC1=CC=CC2=C1NCCO2 34402 [0,1,0,1,0,0|1,1,0]=4 1131 B12R2.1081 NC1=CC=CC2=C1OCCO2 34197 [0,1,0,1,0,0|2,0,0]=4 1132 B12R2.1081 NC1CCCC2=CC=CC=C21 14041 [0,1,0,1,0,0|2,0,0]=4 1133 B12R2.1081 NC1CCOC2=CC=CC=C21 27739 [0,1,0,1,0,0|2,0,0]=4 1134 B12R2.1081 NC1COCC2=CC=CC=C21 14613 [0,1,0,1,0,0|2,0,0]=4 1135 B12R2.1081 NC1CSCC2=CC=CC=C21 14610 [0,1,0,1,0,0|2,0,0]=4 1136 B12R2.1081 N[C@@H]1CCCC2=CC=CC=C21 13011 [0,1,0,1,0,0|2,0,0]=4 1137 B12R2.1081 N[C@H]1CCCc2ccccc21 11534 [0,1,0,1,0,0|2,0,0]=4 1138 B12R2.1081 O=C1C=CC=C2NCCCN12 27713 [0,1,0,1,0,0|2,0,0]=4 1139 B12R2.1081 O=C1CCCC2=CC=CC=C12 13786 [0,1,0,1,0,0|2,0,0]=4 1140 B12R2.1081 O=C1NC=CC2=C1CCNC2 17880 [0,1,0,1,0,0|2,0,0]=4 1141 B12R2.1081 O=C1OCCC2=CC=CC=C12 25692 [0,1,0,1,0,0|2,0,0]=4 1142 B12R2.1081 OC1=C2NCCCC2=CC=C1 12789 [0,1,0,1,0,0|2,0,0]=4 1143 B12R2.1081 OC1=CC=CC2=C1CCCC2 22497 [0,1,0,1,0,0|2,0,0]=4 1144 B12R2.1081 OC1=CC=CC2=C1OCCN2 27893 [0,1,0,1,0,0|1,0,0]=3 1145 B12R2.1081 OC1=CC=CC2=C1OCCO2 34482 [0,1,0,1,0,0|2,0,0]=4 1146 B12R2.1081 OC1=NC=CC2=C1CCCN2 23152 [0,1,0,1,0,0|2,0,0]=4 1147 B12R2.1081 OC1CCNC2=CC=CC=C21 31803 [0,1,0,1,0,0|2,0,0]=4 1148 B12R2.24 BrC1=CC2=C(CCNC2)N=C1 14710 [0,1,0,1,0,0|2,0,0]=4 1149 B12R2.24 BrC1=CC=C2CCC=CC2=C1 25683 [0,1,0,1,0,0|2,0,0]=4 1150 B12R2.24 BrC1=CC=C2CCCNC2=C1 25212 [0,1,0,1,0,0|2,0,0]=4 1151 B12R2.24 BrC1=CC=C2CCCOC2=C1 34276 [0,1,0,1,0,0|2,0,0]=4 1152 B12R2.24 BrC1=CC=C2CCNCC2=C1 24727 [0,1,0,1,0,0|1,0,0]=3 1153 B12R2.24 BrC1=CC=C2CNCCC2=C1 24726 [0,1,0,1,0,0|1,0,0]=3 1154 B12R2.24 BrC1=CC=C2COCCC2=C1 27929 [0,1,0,1,0,0|2,0,0]=4 1155 B12R2.24 BrC1=CC=C2NCCCC2=C1 24715 [0,1,0,1,0,0|2,0,0]=4 1156 B12R2.24 BrC1=CC=C2OCCCC2=C1 34593 [0,1,0,1,0,0|2,0,0]=4 1157 B12R2.24 BrC1=NC2=C(C=C1)CNCC2 34257 [0,1,0,1,0,0|2,0,0]=4 1158 B12R2.24 CC1CCC2=CC=CC=C2N1 7515 [0,1,0,1,0,0|2,0,0]=4 1159 B12R2.24 ClC1=CC2=C(CCNC2)N=C1 24805 [0,1,0,1,0,0|2,0,0]=4 1160 B12R2.24 ClC1=CC=C2CCCNC2=C1 34604 [0,1,0,1,0,0|2,0,0]=4 1161 B12R2.24 ClC1=CC=C2CCNCC2=C1 31894 [0,1,0,1,0,0|1,0,0]=3 1162 B12R2.24 ClC1=NC2=C(C=C1)CNCC2 14855 [0,1,0,1,0,0|2,0,0]=4 1163 B12R2.24 FC1=CC=C2CCNCC2=C1 31895 [0,1,0,1,0,0|1,0,0]=3 1164 B12R2.24 FC1=CC=C2CNCCC2=C1 35560 [0,1,0,1,0,0|1,0,0]=3 1165 B12R2.24 FC1=CC=C2NCCCC2=C1 27932 [0,1,0,1,0,0|2,0,0]=4 1166 B12R2.24 NC1=CC2=C(CCNC2)N=C1 22967 [0,1,0,1,0,0|2,0,0]=4 1167 B12R2.24 NC1=CC=C2CCCNC2=C1 5887 [0,1,0,1,0,0|2,0,0]=4 1168 B12R2.24 NC1=CC=C2CCNCC2=C1 34159 [0,1,0,1,0,0|1,0,0]=3 1169 B12R2.24 NN1CCC2=CC=CC=C2C1 27729 [0,1,0,1,0,0|1,0,0]=3 1170 B12R2.24 N[C@H]1CCC2=CC=CC=C2C1 23249 [0,1,0,1,0,0|1,0,0]=3 1171 B12R2.24 O=C1CCC2=CC=CC=C2C1 17934 [0,1,0,1,0,0|2,0,0]=4 1172 B12R2.24 OC1=CC2=C(C=C1)CCCC2 15404 [0,1,0,1,0,0|2,0,0]=4 1173 B12R2.24 OC1=CC2=C(CCNC2)N=C1 17766 [0,1,0,1,0,0|2,0,0]=4 1174 B12R2.24 OC1=CC=C2CCCNC2=C1 12787 [0,1,0,1,0,0|2,0,0]=4 1175 B12R2.24 OC1=CC=C2CNCCC2=C1 13941 [0,1,0,1,0,0|1,0,0]=3 1176 B12R2.24 OC1=CC=C2CNCCC2=C1 8301 [0,1,0,1,0,0|1,0,0]=3 1177 B12R2.24 OC1=CC=C2NCCCC2=C1 12785 [0,1,0,1,0,0|2,0,0]=4 1178 B12R2.24 OC1=CC=C2OCCCC2=C1 25609 [0,1,0,1,0,0|2,0,0]=4 1179 B12R2.32 CCC1=CC2=CC=CC=C2C1 5396 [0,1,0,1,0,0|2,0,0]=4 1180 B12R2.32 N#CC1CC2=CC=CC=C2C1 23088 [0,1,0,1,0,0|1,0,1]=4 1181 B12R2.32 NCC1=CC2=CC=CC=C2N1 20289 [0,1,0,1,0,0|1,0,1]=4 1182 B12R2.32 NCC1=NC2=C(C=CC=C2)N1 26374 [0,1,0,1,0,0|1,0,1]=4 1183 B12R2.196 CC1=C2CCC(=O)C2=CC=C1 8834 [0,1,0,1,0,0|2,0,0]=4 1184 B12R2.196 CN1C=NC2=C1C=CC=C2Br 28934 [0,1,0,1,0,0|1,0,1]=4 1185 B12R2.196 CN1N=CC2=C(Br)C=CC=C21 32558 [0,1,0,1,0,0|1,0,1]=4 1186 B12R2.196 NC1=NNC2=C(Br)C=CC=C12 32561 [0,1,0,1,0,0|1,0,1]=4 1187 B12R2.196 O=C1CCC2=C(Br)C=CC=C12 13784 [0,1,0,1,0,0|1,0,0]=3 1188 B12R2.196 O=C1CCC2=C(Cl)C=CC=C12 5340 [0,1,0,1,0,0|1,1,0]=4 1189 B12R2.196 O=C1CCC2=C(F)C=CC=C12 13785 [0,1,0,1,0,0|1,1,0]=4 1190 B12R2.196 O=C1CCC2=C(O)C=CC=C12 9659 [0,1,0,1,0,0|2,0,0]=4 1191 B12R2.196 O=C1NCC2=C(Br)C=CC=C12 22006 [0,1,0,1,0,0|1,0,1]=4 1192 B12R2.225 OC1=C(OC2CC2)C=CC=C1 26352 [0,1,0,1,0,0|2,0,0]=4 1193 B12R2.18 CC1CC2=CC=CC=C2C1=O 2387 [0,1,0,1,0,0|2,0,0]=4 1194 B12R2.18 CC1CC2=CC=CC=C2N1N 23226 [0,1,0,1,0,0|2,0,0]=4 1195 B12R2.18 CC1CC2=CC=CC=C2N1N 9485 [0,1,0,1,0,0|2,0,0]=4 1196 B12R2.18 N[C@@H]1C2=CC=CC=C2C[C@@H]1O 5733 [0,1,0,1,0,0|2,0,0]=4 1197 B12R2.18 N[C@H]1c2ccccc2C[C@@H]1O 16026 [0,1,0,1,0,0|2,0,0]=4 1198 B12R2.18 N[C@H]1c2ccccc2C[C@H]1O 5732 [0,1,0,1,0,0|2,0,0]=4 1199 B12R2.18 O=C1C2=CC=CC=C2CC1Br 8852 [0,1,0,1,0,0|2,0,0]=4 1200 B12R2.18 OC1C2=CC=CC=C2CC1Br 3783 [0,1,0,1,0,0|2,0,0]=4 1201 B12R2.315 NCC1=C2CCNC2=CC=C1 25086 [0,1,0,1,0,0|1,0,0]=3 1202 B12R2.315 OCC1=C2CCNC2=CC=C1 25087 [0,1,0,1,0,0|1,0,0]=3 1203 B12R2.246 BrC1=CC(Br)=C2C=CNC2=C1 22615 [0,1,0,1,0,0|0,0,2]=4 1204 B12R2.246 FC1=CC(Br)=C2C=CNC2=C1 23229 [0,1,0,1,0,0|0,0,2]=4 1205 B12R2.246 FC1=CC(F)=C2CCNC2=C1 7776 [0,1,0,1,0,0|0,1,0]=3 1206 B12R2.246 NC1=CC(Br)=C2C=CNC2=C1 20263 [0,1,0,1,0,0|0,0,2]=4 1207 B12R2.606 NC1CC2=CC=C(Br)C=C2C1 34824 [0,1,0,1,0,0|1,0,0]=3 1208 B12R2.606 NC1CC2=CC=C(I)C=C2C1 19968 [0,1,0,1,0,0|1,0,0]=3 1209 B12R2.606 NC1CC2=CC=C(I)C=C2C1 25849 [0,1,0,1,0,0|1,0,0]=3 1210 B12R2.606 OC1CC2=CC=C(Br)C=C2C1 34825 [0,1,0,1,0,0|2,0,0]=4 1211 B12R2.221 ClC1=C2NN=CC2=C(Br)C=C1 28056 [0,1,0,1,0,0|1,0,1]=4 1212 B12R2.221 FC1=C2NC=CC2=C(Br)C=C1 26142 [0,1,0,1,0,0|0,0,2]=4 1213 B12R2.221 FC1=C2NN=CC2=C(Br)C=C1 28057 [0,1,0,1,0,0|1,0,1]=4 1214 B12R2.88 NC1(C2=C(F)C=CC=C2)CC1 34486 [0,1,0,1,0,0|1,1,0]=4 1215 B12R2.203 BrC1=C2C(=CC=C1)NN=C2I 33043 [0,1,0,1,0,0|1,0,1]=4 1216 B12R2.203 CC1=NNC2=CC=CC(Br)=C21 28048 [0,1,0,1,0,0|1,0,1]=4 1217 B12R2.203 ClC1=NNC2=CC=CC(Br)=C21 20680 [0,1,0,1,0,0|1,0,1]=4 1218 B12R2.203 NC1=NNC2=CC=CC(Br)=C21 20681 [0,1,0,1,0,0|1,0,1]=4 1219 B12R2.203 O=C1CCC2=CC=CC(Br)=C12 13776 [0,1,0,1,0,0|1,0,1]=4 1220 B8R1.8 NCCC1=CC=CS1 5579 [1,0,0,0,1,0|1,0,0]=3 1221 B8R1.8 NCCC1=CC=CS1 8859 [1,0,0,0,1,0|1,0,0]=3 1222 B8R1.8 NCCC1=CNC=N1 9893 [1,0,0,0,1,0|2,0,0]=4 1223 B8R1.8 NCCC1=CSC=C1 14605 [1,0,0,0,1,0|1,0,0]=3 1224 B8R1.8 NCCC1=CSC=C1 24381 [1,0,0,0,1,0|1,0,0]=3 1225 B8R1.8 NCCC1=NC=CN1 24954 [1,0,0,0,1,0|2,0,0]=4 1226 B8R1.8 NCCN1C=CN=C1 12985 [1,0,0,0,1,0|2,0,0]=4 1227 B8R1.8 NCCN1C=CN=C1 8054 [1,0,0,0,1,0|2,0,0]=4 1228 B8R1.8 OCCC1=CC=CS1 5581 [1,0,0,0,1,0|2,0,0]=4 1229 B8R1.8 OCCC1=CSC=C1 20415 [1,0,0,0,1,0|2,0,0]=4 1230 B8R1.11 NCC1=C(Br)SC=C1 5276 [1,0,0,0,1,0|1,0,0]=3 1231 B8R1.11 OCC1=C(Br)SC=C1 22131 [1,0,0,0,1,0|2,0,0]=4