0 B10R1.18 CC(=O)CC1=CC=NC=C1 21323 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.18 CC(=O)CC1=NC=CC=C1 32233 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.18 CC(=O)SC1=CC=CC=C1 15324 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.18 CC(C)OC1=CC=CC=C1 13188 [0,0,0,0,0,0|2,0,0]=2 4 B10R1.18 CC(C)OC1=CC=NC=C1 6684 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.18 CC(O)CC1=CC=CC=C1 36130 [0,0,0,0,0,0|1,0,0]=1 6 B10R1.18 NC(=S)NC1=CC=CC=C1 35672 [0,0,0,0,0,0|2,0,1]=3 7 B10R1.18 O=C(Cl)CC1=CC=CC=C1 35236 [0,0,0,0,0,0|2,0,1]=3 8 B10R1.18 O=C(O)CC1=CC=CN=C1 13998 [0,0,0,0,0,0|3,0,1]=4 9 B10R1.18 O=C(O)CC1=CC=NC=C1 14000 [0,0,0,0,0,0|3,0,1]=4 10 B10R1.18 O=C(O)CC1=NC=CC=C1 14404 [0,0,0,0,0,0|3,0,1]=4 11 B10R1.18 O=C([O-])CC1=CC=CC=C1 20019 [0,0,0,0,0,0|2,0,1]=3 12 B10R1.18 O=[N+]([O-])CC1=CC=CC=C1 16807 [0,0,0,0,0,0|3,0,0]=3 13 B10R1.18 OB(O)CC1=CC=CC=C1 5320 [0,0,0,0,0,0|3,0,0]=3 14 B10R1.18 OC(=S)CC1=CC=CC=C1 10786 [0,0,0,0,0,0|2,0,1]=3 15 B9R1.8 BrCCC1=CC=CN=C1 21399 [1,0,0,0,0,0|2,0,0]=3 16 B9R1.8 BrCCC1=NC=CC=C1 23421 [1,0,0,0,0,0|2,0,0]=3 17 B9R1.8 Br[Mg]CC1=CC=CC=C1 20182 [1,0,0,0,0,0|2,0,0]=3 18 B9R1.8 C=CCC1=CC=CC=C1 29358 [1,0,0,0,0,0|0,0,2]=3 19 B9R1.8 C=CSC1=CC=CC=C1 10778 [1,0,0,0,0,0|1,0,2]=4 20 B9R1.8 CCCC1=CC=CC=C1 10852 [1,0,0,0,0,0|0,0,0]=1 21 B9R1.8 CCCC1=CC=NC=C1 15021 [1,0,0,0,0,0|1,0,0]=2 22 B9R1.8 CCOC1=CC=NC=C1 1125 [1,0,0,0,0,0|2,0,0]=3 23 B9R1.8 CCOC1=NC=CC=C1 1126 [1,0,0,0,0,0|2,0,0]=3 24 B9R1.8 CCSC1=CC=CC=C1 10773 [1,0,0,0,0,0|1,0,0]=2 25 B9R1.8 CNCC1=CC=CC=C1 19910 [1,0,0,0,0,0|1,0,0]=2 26 B9R1.8 CNCC1=CC=CC=C1 25218 [1,0,0,0,0,0|1,0,0]=2 27 B9R1.8 CNCC1=CC=CC=C1 5801 [1,0,0,0,0,0|1,0,0]=2 28 B9R1.8 COCC1=CC=CC=C1 15300 [1,0,0,0,0,0|1,0,0]=2 29 B9R1.8 ClCCC1=CC=CC=C1 26674 [1,0,0,0,0,0|1,0,0]=2 30 B9R1.8 ClCCC1=CC=CN=C1 23929 [1,0,0,0,0,0|2,0,0]=3 31 B9R1.8 ClCSC1=CC=CC=C1 10735 [1,0,0,0,0,0|2,0,0]=3 32 B9R1.8 N#CCC1=NC=CC=C1 9302 [1,0,0,0,0,0|1,0,2]=4 33 B9R1.8 NCCC1=CC=CN=C1 13196 [1,0,0,0,0,0|1,0,0]=2 34 B9R1.8 NCCC1=CC=CN=C1 14084 [1,0,0,0,0,0|1,0,0]=2 35 B9R1.8 NCCC1=CC=NC=C1 13447 [1,0,0,0,0,0|1,0,0]=2 36 B9R1.8 NCCC1=NC=CC=C1 2592 [1,0,0,0,0,0|1,0,0]=2 37 B9R1.8 NCCc1ccccc1 21077 [1,0,0,0,0,0|0,0,0]=1 38 B9R1.8 NNCC1=CC=CC=C1 29056 [1,0,0,0,0,0|1,0,0]=2 39 B9R1.8 NOCC1=CC=CC=C1 24804 [1,0,0,0,0,0|1,0,0]=2 40 B9R1.8 NOCC1=CC=CC=C1 7095 [1,0,0,0,0,0|1,0,0]=2 41 B9R1.8 OCCC1=NC=CC=C1 2593 [1,0,0,0,0,0|2,0,0]=3 42 B9R1.8 ONCC1=CC=CC=C1 25520 [1,0,0,0,0,0|2,0,0]=3 43 B9R1.8 S=C=NC1=CC=CC=C1 18702 [1,0,0,0,0,0|2,0,1]=4 44 B9R1.8 SCCC1=CC=CN=C1 25052 [1,0,0,0,0,0|2,0,0]=3 45 B9R1.8 SCCC1=NC=CC=C1 25015 [1,0,0,0,0,0|2,0,0]=3 46 B11R1.20 CC(=O)CC1=CC=C(Br)C=C1 31604 [0,1,0,0,0,0|1,0,1]=3 47 B11R1.20 CC(=O)CC1=CC=C(Cl)C=C1 28145 [0,1,0,0,0,0|1,0,1]=3 48 B11R1.20 CC(=O)CC1=CC=C(F)C=C1 28133 [0,1,0,0,0,0|1,0,1]=3 49 B11R1.20 CC(=O)CC1=CC=C(O)C=C1 35682 [0,1,0,0,0,0|1,0,1]=3 50 B11R1.20 CC(=O)NC1=CC=C(C)C=C1 3342 [0,1,0,0,0,0|2,0,1]=4 51 B11R1.20 CC(=O)NC1=CC=C(Cl)C=C1 26262 [0,1,0,0,0,0|2,0,1]=4 52 B11R1.20 CC(=O)NC1=CC=C(I)C=C1 3293 [0,1,0,0,0,0|2,0,1]=4 53 B11R1.20 CC(=O)NC1=CC=C(O)C=C1 17726 [0,1,0,0,0,0|2,0,1]=4 54 B11R1.20 CC(=O)NC1=CC=C(S)C=C1 6832 [0,1,0,0,0,0|2,0,1]=4 55 B11R1.20 CC(=O)OC1=CC=C(F)C=C1 3061 [0,1,0,0,0,0|2,0,1]=4 56 B11R1.20 CC(C)CC1=CC=C(Br)C=C1 27490 [0,1,0,0,0,0|1,0,0]=2 57 B11R1.20 CC(C)NC1=CC=C(Br)C=C1 34794 [0,1,0,0,0,0|2,0,0]=3 58 B11R1.20 CC(C)OC1=CC=C(N)C=C1 28330 [0,1,0,0,0,0|2,0,0]=3 59 B11R1.20 CC(C)OC1=CC=C(O)C=C1 34515 [0,1,0,0,0,0|2,0,0]=3 60 B11R1.20 CC(C)OC1=CN=C(Br)C=C1 34828 [0,1,0,0,0,0|3,0,0]=4 61 B11R1.20 CC(C)OC1=NC=C(Br)C=C1 22060 [0,1,0,0,0,0|3,0,0]=4 62 B11R1.20 CC(N)CC1=CC=C(F)C=C1 19961 [0,1,0,0,0,0|0,0,0]=1 63 B11R1.20 CC1=CC=C(CC(O)=S)C=C1 10789 [0,1,0,0,0,0|2,0,1]=4 64 B11R1.20 FC(F)OC1=CC=C(Br)C=C1 4309 [0,1,0,0,0,0|3,0,0]=4 65 B11R1.20 NC(=O)CC1=CC=C(O)C=C1 17532 [0,1,0,0,0,0|1,0,1]=3 66 B11R1.20 NC(=S)NC1=CC=C(Br)C=C1 14266 [0,1,0,0,0,0|2,0,1]=4 67 B11R1.20 NC(=S)NC1=CC=C(F)C=C1 10059 [0,1,0,0,0,0|2,0,1]=4 68 B11R1.20 NC1=CC=C(OC(F)F)C=C1 8467 [0,1,0,0,0,0|3,0,0]=4 69 B11R1.20 Nc1ccc(CC(=O)O)cc1 22147 [0,1,0,0,0,0|2,0,1]=4 70 B11R1.20 O=C(Cl)CC1=CC=C(Cl)C=C1 44721 [0,1,0,0,0,0|2,0,1]=4 71 B11R1.20 O=C(Cl)CC1=CC=C(F)C=C1 17517 [0,1,0,0,0,0|2,0,1]=4 72 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 4246 [0,1,0,0,0,0|2,0,1]=4 73 B11R1.20 O=C(O)CC1=CC=C(Cl)C=C1 4250 [0,1,0,0,0,0|2,0,1]=4 74 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 13432 [0,1,0,0,0,0|2,0,1]=4 75 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 19614 [0,1,0,0,0,0|2,0,1]=4 76 B11R1.20 O=C(O)CC1=CC=C(I)C=C1 18835 [0,1,0,0,0,0|2,0,1]=4 77 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 22193 [0,1,0,0,0,0|2,0,1]=4 78 B11R1.20 O=C(O)CC1=CC=C(S)C=C1 34915 [0,1,0,0,0,0|2,0,1]=4 79 B11R1.36 CC(Br)C(=O)C1=CC=CC=C1 34717 [0,1,0,0,0,0|1,0,1]=3 80 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 21081 [0,1,0,0,0,0|2,0,1]=4 81 B11R1.36 CN(C)C(=O)C1=CC=CC=C1 7881 [0,1,0,0,0,0|2,0,1]=4 82 B11R1.36 C[C@@H](C(=O)O)c1ccccc1 6079 [0,1,0,0,0,0|2,0,1]=4 83 B11R1.36 C[C@H](C(=O)O)c1ccccc1 6862 [0,1,0,0,0,0|2,0,1]=4 84 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 16346 [0,1,0,0,0,0|1,0,1]=3 85 B11R1.36 NC(=O)[C@@H](N)C1=CC=CC=C1 19408 [0,1,0,0,0,0|1,0,1]=3 86 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 16811 [0,1,0,0,0,0|2,0,1]=4 87 B11R1.36 N[C@@H](C(=O)O)c1ccccc1 11005 [0,1,0,0,0,0|2,0,1]=4 88 B11R1.36 N[C@H](C(=O)O)c1ccccc1 23858 [0,1,0,0,0,0|2,0,1]=4 89 B11R1.36 O=C(C1=CC=CC=C1)C(F)F 29143 [0,1,0,0,0,0|2,0,1]=4 90 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 6066 [0,1,0,0,0,0|2,0,1]=4 91 B11R1.36 O=C(O)[C@@H](O)c1ccccc1 6067 [0,1,0,0,0,0|2,0,1]=4 92 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 21083 [0,1,0,0,0,0|2,0,1]=4 93 B11R1.40 C#CC(O)CC1=CC=CC=C1 35257 [0,1,0,0,0,0|1,0,1]=3 94 B11R1.40 C#C[C@H](O)CC1=CC=CC=C1 35256 [0,1,0,0,0,0|1,0,1]=3 95 B11R1.40 CCC(=O)NC1=CC=CC=C1 3338 [0,1,0,0,0,0|2,0,1]=4 96 B11R1.40 CNC(=O)OC1=CC=CC=C1 35857 [0,1,0,0,0,0|2,0,1]=4 97 B11R1.40 COC(=O)CC1=CC=CN=C1 13725 [0,1,0,0,0,0|2,0,1]=4 98 B11R1.40 COC(=O)CC1=CC=NC=C1 18851 [0,1,0,0,0,0|2,0,1]=4 99 B11R1.40 COC(=O)CC1=NC=CC=C1 17624 [0,1,0,0,0,0|2,0,1]=4 100 B11R1.40 N#CC(O)CC1=CC=CC=C1 25761 [0,1,0,0,0,0|1,0,1]=3 101 B11R1.40 N#C[C@@H](O)CC1=CC=CC=C1 17479 [0,1,0,0,0,0|1,0,1]=3 102 B11R1.40 NC(CO)CC1=CC=CC=C1 30327 [0,1,0,0,0,0|0,0,0]=1 103 B11R1.40 NNC(=S)NC1=CC=CC=C1 10747 [0,1,0,0,0,0|2,0,1]=4 104 B11R1.40 N[C@@H](CO)Cc1ccccc1 6909 [0,1,0,0,0,0|0,0,0]=1 105 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 5724 [0,1,0,0,0,0|0,0,0]=1 106 B11R1.40 O=C(CF)NC1=CC=CC=C1 3369 [0,1,0,0,0,0|2,0,1]=4 107 B11R1.86 CC(=O)CC1=C(Br)C=CC=C1 23388 [0,1,0,0,0,0|1,0,1]=3 108 B11R1.86 CC(=O)CC1=C(Cl)C=CC=C1 28140 [0,1,0,0,0,0|1,0,1]=3 109 B11R1.86 CC(=O)CC1=C(F)C=CC=C1 28149 [0,1,0,0,0,0|1,0,1]=3 110 B11R1.86 CC(=O)NC1=C(O)C=CC=C1 3830 [0,1,0,0,0,0|2,0,1]=4 111 B11R1.86 CC(=O)OC1=C(Br)C=CC=C1 3055 [0,1,0,0,0,0|2,0,1]=4 112 B11R1.86 CC(=O)OC1=C(F)C=CC=C1 3059 [0,1,0,0,0,0|2,0,1]=4 113 B11R1.86 CC(=O)OC1=C(I)C=CC=C1 3062 [0,1,0,0,0,0|2,0,1]=4 114 B11R1.86 CC(C)OC1=C(Br)C=CC=C1 3828 [0,1,0,0,0,0|2,0,0]=3 115 B11R1.86 CC(C)OC1=C(O)C=CC=C1 13205 [0,1,0,0,0,0|2,0,0]=3 116 B11R1.86 CC(C)OC1=NC=CC=C1Br 6576 [0,1,0,0,0,0|3,0,0]=4 117 B11R1.86 CC(C)OC1=NC=CC=C1I 16561 [0,1,0,0,0,0|3,0,0]=4 118 B11R1.86 CC(C)SC1=C(N)C=CC=C1 31985 [0,1,0,0,0,0|2,0,0]=3 119 B11R1.86 CC1=C(CC(=O)O)C=CC=C1 20124 [0,1,0,0,0,0|2,0,1]=4 120 B11R1.86 CC1=C(CC(N)=O)C=CC=C1 17571 [0,1,0,0,0,0|1,0,1]=3 121 B11R1.86 FC(F)OC1=C(Br)C=CC=C1 25489 [0,1,0,0,0,0|3,0,0]=4 122 B11R1.86 NC(=S)NC1=C(Br)C=CC=C1 14267 [0,1,0,0,0,0|2,0,1]=4 123 B11R1.86 NC1=C(OC(F)F)C=CC=C1 8465 [0,1,0,0,0,0|3,0,0]=4 124 B11R1.86 O=C(O)CC1=C(Br)C=CC=C1 7214 [0,1,0,0,0,0|2,0,1]=4 125 B11R1.86 O=C(O)CC1=C(Cl)C=CC=C1 16509 [0,1,0,0,0,0|2,0,1]=4 126 B11R1.86 O=C(O)CC1=C(F)C=CC=C1 4164 [0,1,0,0,0,0|2,0,1]=4 127 B11R1.86 O=C(O)CC1=C(I)C=CC=C1 2552 [0,1,0,0,0,0|2,0,1]=4 128 B11R1.86 O=C(O)CC1=C(O)C=CC=C1 20030 [0,1,0,0,0,0|2,0,1]=4 129 B11R1.157 CC(=O)CC1=CC(Br)=CC=C1 25423 [0,1,0,0,0,0|1,0,1]=3 130 B11R1.157 CC(=O)CC1=CC(Cl)=CC=C1 19805 [0,1,0,0,0,0|1,0,1]=3 131 B11R1.157 CC(=O)CC1=CC(F)=CC=C1 35854 [0,1,0,0,0,0|1,0,1]=3 132 B11R1.157 CC(=O)NC1=CC(C)=CC=C1 3340 [0,1,0,0,0,0|2,0,1]=4 133 B11R1.157 CC(=O)NC1=CC(I)=CC=C1 3291 [0,1,0,0,0,0|2,0,1]=4 134 B11R1.157 CC(=O)NC1=CC=CC(O)=C1 3835 [0,1,0,0,0,0|2,0,1]=4 135 B11R1.157 CC(=O)OC1=CC(Cl)=CC=C1 3057 [0,1,0,0,0,0|2,0,1]=4 136 B11R1.157 CC(=O)OC1=CC(F)=CC=C1 3060 [0,1,0,0,0,0|2,0,1]=4 137 B11R1.157 CC(C)CC1=CC=CC(Br)=C1 34333 [0,1,0,0,0,0|1,0,0]=2 138 B11R1.157 CC(C)OC1=CC=CC(Br)=C1 14867 [0,1,0,0,0,0|2,0,0]=3 139 B11R1.157 CC(C)OC1=CN=CC(Br)=C1 25863 [0,1,0,0,0,0|3,0,0]=4 140 B11R1.157 CC1=CC=CC(CC(=O)O)=C1 28872 [0,1,0,0,0,0|2,0,1]=4 141 B11R1.157 FC(F)OC1=CC=CC(Br)=C1 18537 [0,1,0,0,0,0|3,0,0]=4 142 B11R1.157 NC(=S)NC1=CC(Br)=CC=C1 14268 [0,1,0,0,0,0|2,0,1]=4 143 B11R1.157 NC1=CC(OC(F)F)=CC=C1 8466 [0,1,0,0,0,0|3,0,0]=4 144 B11R1.157 NC1=CC=CC(CC(=O)O)=C1 1961 [0,1,0,0,0,0|2,0,1]=4 145 B11R1.157 O=C(O)CC1=CC(Br)=CC=C1 4244 [0,1,0,0,0,0|2,0,1]=4 146 B11R1.157 O=C(O)CC1=CC(Cl)=CC=C1 16510 [0,1,0,0,0,0|2,0,1]=4 147 B11R1.157 O=C(O)CC1=CC(F)=CC=C1 4167 [0,1,0,0,0,0|2,0,1]=4 148 B11R1.157 O=C(O)CC1=CC(I)=CC=C1 4195 [0,1,0,0,0,0|2,0,1]=4 149 B11R1.157 O=C(O)CC1=CC(O)=CC=C1 21773 [0,1,0,0,0,0|2,0,1]=4 150 B11R1.157 OC1=CC(OC(F)F)=CC=C1 31094 [0,1,0,0,0,0|3,0,0]=4 151 B11R1.509 CS(=O)(=O)NC1=CC=CC=C1 22292 [0,1,0,0,0,0|3,0,0]=4 152 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 21920 [0,1,0,0,0,0|2,0,0]=3 153 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 26241 [0,1,0,0,0,0|2,0,0]=3 154 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 7798 [0,1,0,0,0,0|2,0,0]=3 155 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 7799 [0,1,0,0,0,0|2,0,0]=3 156 B11R1.509 ClC(Cl)(Cl)OC1=CC=CC=C1 24294 [0,1,0,0,0,0|3,0,0]=4 157 B11R1.509 FC(F)(F)OC1=CC=CC=C1 7458 [0,1,0,0,0,0|3,0,0]=4 158 B11R1.509 FC(F)(F)SC1=CC=CC=C1 10400 [0,1,0,0,0,0|3,0,0]=4 159 B11R1.509 F[B-](F)(F)CC1=CC=CC=C1 11286 [0,1,0,0,0,0|3,0,0]=4 160 B11R1.509 NS(=O)(=O)CC1=CC=CC=C1 10753 [0,1,0,0,0,0|2,0,0]=3 161 B11R1.509 NS(=O)(=O)CC1=CC=CN=C1 19057 [0,1,0,0,0,0|3,0,0]=4 162 B11R1.509 O=S(=O)(Cl)CC1=CC=CC=C1 5036 [0,1,0,0,0,0|3,0,0]=4 163 B11R2.4 CC1CC1C2=CC=CC=C2 3150 [0,0,0,1,0,0|1,0,0]=2 164 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 32003 [0,0,0,1,0,0|0,0,0]=1 165 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 32001 [0,0,0,1,0,0|0,0,0]=1 166 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 32002 [0,0,0,1,0,0|0,0,0]=1 167 B11R2.10 BrC1=CC2=CC=CC=C2C1 9657 [0,0,0,1,0,0|1,0,2]=4 168 B11R2.10 BrC1=NC2=C(C=CC=C2)N1 16113 [0,0,0,1,0,0|2,0,1]=4 169 B11R2.10 CC1=CC2=CC=CC=C2C1 5381 [0,0,0,1,0,0|1,0,1]=3 170 B11R2.10 CC1=CC2=CC=CC=C2N1 7504 [0,0,0,1,0,0|0,0,2]=3 171 B11R2.10 CC1=NC2=C(C=CC=C2)N1 7540 [0,0,0,1,0,0|1,0,1]=3 172 B11R2.10 CC1=NC2=C(C=CC=C2)O1 8631 [0,0,0,1,0,0|1,0,2]=4 173 B11R2.10 CC1=NC2=C(C=CC=C2)S1 10877 [0,0,0,1,0,0|1,0,2]=4 174 B11R2.10 CC1CC2=CC=CC=C2N1 7439 [0,0,0,1,0,0|0,0,0]=1 175 B11R2.10 CN1C=C2C=CC=CC2=N1 15667 [0,0,0,1,0,0|1,0,2]=4 176 B11R2.10 ClC1=NC2=C(C=CC=C2)N1 7598 [0,0,0,1,0,0|2,0,1]=4 177 B11R2.10 FC1=NC2=C(C=CC=C2)N1 13608 [0,0,0,1,0,0|2,0,1]=4 178 B11R2.10 NC1=NC2=C(C=CC=C2)N1 9020 [0,0,0,1,0,0|2,0,1]=4 179 B11R2.10 NC1=NC2=C(C=CC=C2)O1 17695 [0,0,0,1,0,0|2,0,1]=4 180 B11R2.10 NC1=NC2=C(C=CC=C2)S1 13382 [0,0,0,1,0,0|2,0,1]=4 181 B11R2.10 NC1CC2=CC=CC=C2C1 12929 [0,0,0,1,0,0|0,0,0]=1 182 B11R2.10 NN1CC2=CC=CC=C2C1 27745 [0,0,0,1,0,0|1,0,0]=2 183 B11R2.10 O=C1CC2=C(C=CC=C2)O1 22170 [0,0,0,1,0,0|2,0,1]=4 184 B11R2.10 O=C1CC2=CC=CC=C2C1 9653 [0,0,0,1,0,0|1,0,1]=3 185 B11R2.10 O=C1CC2=CC=CC=C2N1 7177 [0,0,0,1,0,0|1,0,1]=3 186 B11R2.10 O=C1CC2=CC=CN=C2N1 35309 [0,0,0,1,0,0|2,0,1]=4 187 B11R2.10 O=C1CC2=CC=NC=C2N1 17713 [0,0,0,1,0,0|2,0,1]=4 188 B11R2.10 O=C1NC2=C(C=CC=C2)O1 8633 [0,0,0,1,0,0|2,0,1]=4 189 B11R2.10 O=C1NC2=C(C=CC=C2)S1 21831 [0,0,0,1,0,0|2,0,1]=4 190 B11R2.10 OC1=NC2=C(C=CC=C2)N1 7606 [0,0,0,1,0,0|2,0,1]=4 191 B11R2.10 OC1CC2=CC=CC=C2C1 9652 [0,0,0,1,0,0|1,0,0]=2 192 B11R2.10 SC1=NC2=C(C=CC=C2)N1 13567 [0,0,0,1,0,0|2,0,1]=4 193 B11R2.238 C1=CC=C(C[C@H]2CN2)C=C1 20894 [0,0,0,1,0,0|0,0,0]=1 194 B11R2.238 C1=CC=C(SC2CC2)C=C1 10736 [0,0,0,1,0,0|2,0,0]=3 195 B9R1.6 CC(=O)C1=CC=CN=C1 1301 [0,0,0,0,1,0|2,0,1]=4 196 B9R1.6 CC(=O)C1=CC=NC=C1 7542 [0,0,0,0,1,0|2,0,1]=4 197 B9R1.6 CC(=O)C1=NC=CC=C1 13363 [0,0,0,0,1,0|2,0,1]=4 198 B9R1.6 CC(Cl)C1=CC=CC=C1 10204 [0,0,0,0,1,0|1,0,0]=2 199 B9R1.6 CC(N)C1=CC=CC=C1 21079 [0,0,0,0,1,0|0,0,0]=1 200 B9R1.6 CN(C)C1=CC=NC=C1 2377 [0,0,0,0,1,0|3,0,0]=4 201 B9R1.6 CN(C)C1=NC=CC=C1 14996 [0,0,0,0,1,0|3,0,0]=4 202 B9R1.6 CP(C)C1=CC=CC=C1 6420 [0,0,0,0,1,0|2,0,0]=3 203 B9R1.6 C[C@@H](N)c1ccccc1 6026 [0,0,0,0,1,0|0,0,0]=1 204 B9R1.6 C[C@@H](N)c1ccccc1 6060 [0,0,0,0,1,0|0,0,0]=1 205 B9R1.6 C[C@@H](N)c1ccccc1 9918 [0,0,0,0,1,0|0,0,0]=1 206 B9R1.6 C[C@@H](O)C1=CC=CN=C1 27201 [0,0,0,0,1,0|2,0,0]=3 207 B9R1.6 C[C@@H](O)C1=NC=CC=C1 5699 [0,0,0,0,1,0|2,0,0]=3 208 B9R1.6 C[C@@H](O)c1ccccc1 6851 [0,0,0,0,1,0|1,0,0]=2 209 B9R1.6 C[C@H](N)c1ccccc1 6025 [0,0,0,0,1,0|0,0,0]=1 210 B9R1.6 C[C@H](N)c1ccccc1 6061 [0,0,0,0,1,0|0,0,0]=1 211 B9R1.6 C[C@H](O)C1=NC=CC=C1 5701 [0,0,0,0,1,0|2,0,0]=3 212 B9R1.6 C[C@H](O)c1ccccc1 6858 [0,0,0,0,1,0|1,0,0]=2 213 B9R1.6 ClP(Cl)C1=CC=CC=C1 6469 [0,0,0,0,1,0|3,0,0]=4 214 B9R1.6 FC(Cl)C1=CC=CC=C1 15923 [0,0,0,0,1,0|2,0,0]=3 215 B9R1.6 N=C(N)C1=CC=CN=C1 17590 [0,0,0,0,1,0|2,0,1]=4 216 B9R1.6 N=C(N)C1=CC=C[NH+]=C1 16743 [0,0,0,0,1,0|2,0,1]=4 217 B9R1.6 N=C(N)C1=CC=NC=C1 17463 [0,0,0,0,1,0|2,0,1]=4 218 B9R1.6 N=C(N)C1=NC=CC=C1 20227 [0,0,0,0,1,0|2,0,1]=4 219 B9R1.6 NC(=O)C1=CC=NC=C1 6888 [0,0,0,0,1,0|2,0,1]=4 220 B9R1.6 NC(=S)C1=CC=CC=C1 13565 [0,0,0,0,1,0|1,0,1]=3 221 B9R1.6 NC(=S)C1=CC=CC=C1 18582 [0,0,0,0,1,0|1,0,1]=3 222 B9R1.6 O=C(Cl)C1=CC=CC=C1 22045 [0,0,0,0,1,0|2,0,1]=4 223 B9R1.6 OB(O)C1=CC=CC=C1 1753 [0,0,0,0,1,0|3,0,0]=4 224 B9R1.6 OC(=S)C1=CC=CC=C1 36202 [0,0,0,0,1,0|2,0,1]=4 225 B9R1.13 CC(C)CC1=NC=CS1 9942 [0,0,0,0,1,0|3,0,0]=4 226 B9R1.13 CC(N)CC1=CC=CS1 24782 [0,0,0,0,1,0|1,0,0]=2 227 B11R1.91 CC(=O)COC1=CC=CC=C1 20265 [0,0,0,0,0,1|1,0,1]=3 228 B11R1.91 CC(=O)NCC1=CC=CC=C1 19722 [0,0,0,0,0,1|1,0,1]=3 229 B11R1.91 CC(=O)NCC1=CC=CN=C1 13219 [0,0,0,0,0,1|2,0,1]=4 230 B11R1.91 CC(=O)NNC1=CC=CC=C1 7620 [0,0,0,0,0,1|2,0,1]=4 231 B11R1.91 CC(=O)OCC1=CC=NC=C1 1302 [0,0,0,0,0,1|2,0,1]=4 232 B11R1.91 CC(C)=NNC1=CC=CC=C1 19806 [0,0,0,0,0,1|2,0,1]=4 233 B11R1.91 CC(N)CCC1=CC=CC=C1 21082 [0,0,0,0,0,1|0,0,0]=1 234 B11R1.91 C[C@H](O)COC1=CC=CC=C1 15590 [0,0,0,0,0,1|1,0,0]=2 235 B11R1.91 NC(=O)COC1=CC=CC=C1 12494 [0,0,0,0,0,1|1,0,1]=3 236 B11R1.91 NC(=O)OCC1=CC=CC=C1 12421 [0,0,0,0,0,1|1,0,1]=3 237 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 11078 [0,0,0,0,0,1|1,0,2]=4 238 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 9173 [0,0,0,0,0,1|2,0,1]=4 239 B11R1.91 O=C(Cl)COC1=CC=CC=C1 30326 [0,0,0,0,0,1|2,0,1]=4 240 B11R1.91 O=C(Cl)OCC1=CC=CC=C1 12079 [0,0,0,0,0,1|2,0,1]=4 241 B11R1.91 O=C(O)CCC1=CC=CC=C1 8185 [0,0,0,0,0,1|2,0,1]=4 242 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 36133 [0,0,0,0,0,1|3,0,0]=4 243 B11R1.91 OB(O)CCc1ccccc1 14049 [0,0,0,0,0,1|3,0,0]=4 244 B8R1.2 BrCC1=CC=CC=C1 13143 [2,0,0,0,0,0|1,0,0]=3 245 B8R1.2 BrCC1=CC=CN=C1 17664 [2,0,0,0,0,0|2,0,0]=4 246 B8R1.2 C#CC1=CC=CC=C1 15340 [2,0,0,0,0,0|0,0,2]=4 247 B8R1.2 CCC1=NC=NC=C1 23618 [2,0,0,0,0,0|2,0,0]=4 248 B8R1.2 CNC1=CC=CN=C1 14983 [2,0,0,0,0,0|2,0,0]=4 249 B8R1.2 CNC1=CC=NC=C1 12915 [2,0,0,0,0,0|2,0,0]=4 250 B8R1.2 COC1=CC=CC=C1 12830 [2,0,0,0,0,0|1,0,0]=3 251 B8R1.2 COC1=CC=CC=C1 17272 [2,0,0,0,0,0|1,0,0]=3 252 B8R1.2 COC1=CC=CN=C1 15370 [2,0,0,0,0,0|2,0,0]=4 253 B8R1.2 COC1=CC=NC=C1 2585 [2,0,0,0,0,0|2,0,0]=4 254 B8R1.2 COC1=NC=CC=C1 13201 [2,0,0,0,0,0|2,0,0]=4 255 B8R1.2 CSC1=CC=CC=C1 10578 [2,0,0,0,0,0|1,0,0]=3 256 B8R1.2 CSC1=NC=CC=C1 35938 [2,0,0,0,0,0|2,0,0]=4 257 B8R1.2 ClCC1=CC=CN=C1 9217 [2,0,0,0,0,0|2,0,0]=4 258 B8R1.2 ClCC1=CC=NC=C1 15905 [2,0,0,0,0,0|2,0,0]=4 259 B8R1.2 ClCC1=NC=CC=C1 16732 [2,0,0,0,0,0|2,0,0]=4 260 B8R1.2 ClCC1=NC=CC=C1 36036 [2,0,0,0,0,0|2,0,0]=4 261 B8R1.2 N#Cc1ccccc1 25507 [2,0,0,0,0,0|0,0,2]=4 262 B8R1.2 NCC1=CC=CC=C1 25530 [2,0,0,0,0,0|0,0,0]=2 263 B8R1.2 NCC1=CC=CN=C1 11140 [2,0,0,0,0,0|1,0,0]=3 264 B8R1.2 NCC1=CC=NC=C1 12407 [2,0,0,0,0,0|1,0,0]=3 265 B8R1.2 NCC1=NC=CC=C1 11142 [2,0,0,0,0,0|1,0,0]=3 266 B8R1.2 NCC1=NC=CC=N1 26329 [2,0,0,0,0,0|2,0,0]=4 267 B8R1.2 NCC1=NC=CN=C1 17822 [2,0,0,0,0,0|2,0,0]=4 268 B8R1.2 NNC1=CC=CC=C1 22925 [2,0,0,0,0,0|1,0,0]=3 269 B8R1.2 NNC1=CC=NC=C1 16313 [2,0,0,0,0,0|2,0,0]=4 270 B8R1.2 NNC1=NC=CC=C1 22630 [2,0,0,0,0,0|2,0,0]=4 271 B8R1.2 OCC1=CC=CN=C1 11736 [2,0,0,0,0,0|2,0,0]=4 272 B8R1.2 OCC1=CC=NC=C1 11738 [2,0,0,0,0,0|2,0,0]=4 273 B8R1.2 OCC1=NC=CC=C1 9301 [2,0,0,0,0,0|2,0,0]=4 274 B8R1.2 SCC1=CC=CC=C1 6835 [2,0,0,0,0,0|1,0,0]=3 275 B8R1.2 SCC1=CC=CN=C1 25049 [2,0,0,0,0,0|2,0,0]=4 276 B8R1.2 SCC1=CC=NC=C1 25053 [2,0,0,0,0,0|2,0,0]=4 277 B8R1.2 SCC1=NC=CC=C1 25013 [2,0,0,0,0,0|2,0,0]=4 278 B10R1.1 BrCCC1=CC=C(Br)C=C1 16698 [1,1,0,0,0,0|1,0,0]=3 279 B10R1.1 CC1=CC=C(CC#N)C=C1 28873 [1,1,0,0,0,0|0,0,2]=4 280 B10R1.1 CCCC1=CC=C(Br)C=C1 10762 [1,1,0,0,0,0|0,0,0]=2 281 B10R1.1 CCCC1=CC=C(N)C=N1 26082 [1,1,0,0,0,0|1,0,0]=3 282 B10R1.1 CCCC1=CN=C(Cl)N=C1 7036 [1,1,0,0,0,0|2,0,0]=4 283 B10R1.1 CCCC1=CN=C(S)N=C1 9576 [1,1,0,0,0,0|2,0,0]=4 284 B10R1.1 CCNC1=NC=C(Br)C=C1 22083 [1,1,0,0,0,0|2,0,0]=4 285 B10R1.1 CCOC1=CC=C(Br)C=C1 3138 [1,1,0,0,0,0|1,0,0]=3 286 B10R1.1 CCOC1=CC=C(C)C=C1 3181 [1,1,0,0,0,0|1,0,0]=3 287 B10R1.1 CCOC1=CC=C(Cl)C=C1 3165 [1,1,0,0,0,0|1,0,0]=3 288 B10R1.1 CCOC1=CC=C(F)C=C1 3175 [1,1,0,0,0,0|1,0,0]=3 289 B10R1.1 CCOC1=CC=C(I)C=C1 3177 [1,1,0,0,0,0|1,0,0]=3 290 B10R1.1 CCOC1=CC=C(N)C=C1 9511 [1,1,0,0,0,0|1,0,0]=3 291 B10R1.1 CCOC1=CC=C(O)C=C1 9512 [1,1,0,0,0,0|1,0,0]=3 292 B10R1.1 CCOC1=CN=C(Br)C=C1 5964 [1,1,0,0,0,0|2,0,0]=4 293 B10R1.1 CCOC1=CN=C(Cl)C=C1 6218 [1,1,0,0,0,0|2,0,0]=4 294 B10R1.1 CCOC1=NC=C(Br)C=C1 6235 [1,1,0,0,0,0|2,0,0]=4 295 B10R1.1 CCOC1=NC=C(N)C=C1 6234 [1,1,0,0,0,0|2,0,0]=4 296 B10R1.1 CNCC1=CC=C(C)C=C1 10497 [1,1,0,0,0,0|1,0,0]=3 297 B10R1.1 CNCC1=CC=C(F)C=C1 31250 [1,1,0,0,0,0|1,0,0]=3 298 B10R1.1 ClC1=CC=C(CCBr)C=C1 28821 [1,1,0,0,0,0|1,0,0]=3 299 B10R1.1 ClCCC1=CC=C(Cl)C=C1 28820 [1,1,0,0,0,0|1,0,0]=3 300 B10R1.1 FC1=CC=C(CCBr)C=C1 25674 [1,1,0,0,0,0|1,0,0]=3 301 B10R1.1 FC1=CC=C(CCBr)C=C1 28825 [1,1,0,0,0,0|1,0,0]=3 302 B10R1.1 N#CCC1=CC=C(Br)C=C1 4242 [1,1,0,0,0,0|0,0,2]=4 303 B10R1.1 N#CCC1=CC=C(Cl)C=C1 16502 [1,1,0,0,0,0|0,0,2]=4 304 B10R1.1 N#CCC1=CC=C(F)C=C1 4169 [1,1,0,0,0,0|0,0,2]=4 305 B10R1.1 N#CCC1=CC=C(I)C=C1 19992 [1,1,0,0,0,0|0,0,2]=4 306 B10R1.1 N#CCC1=CC=C(N)C=C1 4233 [1,1,0,0,0,0|0,0,2]=4 307 B10R1.1 N#CCC1=CC=C(O)C=C1 18614 [1,1,0,0,0,0|0,0,2]=4 308 B10R1.1 NC1=CC=C(CCO)C=C1 4580 [1,1,0,0,0,0|1,0,0]=3 309 B10R1.1 NCCC1=CC=C(Br)C=C1 27051 [1,1,0,0,0,0|0,0,0]=2 310 B10R1.1 NCCC1=CC=C(Cl)C=C1 36132 [1,1,0,0,0,0|0,0,0]=2 311 B10R1.1 NCCC1=CC=C(F)C=C1 16712 [1,1,0,0,0,0|0,0,0]=2 312 B10R1.1 NCCC1=CC=C(F)C=C1 29725 [1,1,0,0,0,0|0,0,0]=2 313 B10R1.1 NCCC1=CC=C(N)C=C1 19815 [1,1,0,0,0,0|0,0,0]=2 314 B10R1.1 NCCC1=CC=C(N)C=C1 25418 [1,1,0,0,0,0|0,0,0]=2 315 B10R1.1 NCCC1=CC=C(O)C=C1 16668 [1,1,0,0,0,0|0,0,0]=2 316 B10R1.1 O=CCC1=CC=C(Cl)C=C1 26501 [1,1,0,0,0,0|1,0,1]=4 317 B10R1.1 OC1=CC=C(CCBr)C=C1 2349 [1,1,0,0,0,0|1,0,0]=3 318 B10R1.1 OCCC1=CC=C(Cl)C=C1 3093 [1,1,0,0,0,0|1,0,0]=3 319 B10R1.1 OCCC1=CC=C(F)C=C1 4585 [1,1,0,0,0,0|1,0,0]=3 320 B10R1.1 OCCC1=CC=C(O)C=C1 9418 [1,1,0,0,0,0|1,0,0]=3 321 B10R1.4 BrCCC1=C(Br)C=CC=C1 16179 [1,1,0,0,0,0|1,0,0]=3 322 B10R1.4 CC1=C(CC#N)C=CC=C1 32359 [1,1,0,0,0,0|0,0,2]=4 323 B10R1.4 CCCC1=C(N)C=CC=C1 13695 [1,1,0,0,0,0|0,0,0]=2 324 B10R1.4 CCNC1=C(N)C=CN=C1 26071 [1,1,0,0,0,0|2,0,0]=4 325 B10R1.4 CCNC1=NC=CC=C1N 6237 [1,1,0,0,0,0|2,0,0]=4 326 B10R1.4 CCOC1=C(Br)C=CC=C1 3136 [1,1,0,0,0,0|1,0,0]=3 327 B10R1.4 CCOC1=C(Br)C=CN=C1 6659 [1,1,0,0,0,0|2,0,0]=4 328 B10R1.4 CCOC1=C(Br)C=NC=C1 34353 [1,1,0,0,0,0|2,0,0]=4 329 B10R1.4 CCOC1=C(C)C=CC=C1 3179 [1,1,0,0,0,0|1,0,0]=3 330 B10R1.4 CCOC1=C(Cl)C=CC=C1 3158 [1,1,0,0,0,0|1,0,0]=3 331 B10R1.4 CCOC1=C(Cl)C=CN=C1 6666 [1,1,0,0,0,0|2,0,0]=4 332 B10R1.4 CCOC1=C(F)C=CC=C1 3173 [1,1,0,0,0,0|1,0,0]=3 333 B10R1.4 CCOC1=C(N)C=CN=C1 27756 [1,1,0,0,0,0|2,0,0]=4 334 B10R1.4 CCOC1=C(N)C=NC=C1 9610 [1,1,0,0,0,0|2,0,0]=4 335 B10R1.4 CCOC1=C(O)C=CC=C1 9505 [1,1,0,0,0,0|1,0,0]=3 336 B10R1.4 CCOC1=C(S)C=CC=C1 10527 [1,1,0,0,0,0|1,0,0]=3 337 B10R1.4 CCOC1=CC=CN=C1Br 5890 [1,1,0,0,0,0|2,0,0]=4 338 B10R1.4 CCOC1=CC=CN=C1C 34423 [1,1,0,0,0,0|2,0,0]=4 339 B10R1.4 CCOC1=CC=CN=C1N 5585 [1,1,0,0,0,0|2,0,0]=4 340 B10R1.4 CCOC1=NC=CC=C1Br 6233 [1,1,0,0,0,0|2,0,0]=4 341 B10R1.4 CCOC1=NC=CC=C1I 9248 [1,1,0,0,0,0|2,0,0]=4 342 B10R1.4 CCSC1=C(Br)C=CC=C1 10531 [1,1,0,0,0,0|1,0,0]=3 343 B10R1.4 COCC1=C(Br)C=CC=C1 34659 [1,1,0,0,0,0|1,0,0]=3 344 B10R1.4 ClC1=C(CCBr)C=CC=C1 31587 [1,1,0,0,0,0|1,0,0]=3 345 B10R1.4 N#CCC1=C(Br)C=CC=C1 12554 [1,1,0,0,0,0|0,0,2]=4 346 B10R1.4 N#CCC1=C(Cl)C=CC=C1 16503 [1,1,0,0,0,0|0,0,2]=4 347 B10R1.4 N#CCC1=C(F)C=CC=C1 2611 [1,1,0,0,0,0|0,0,2]=4 348 B10R1.4 N#CCC1=C(N)C=CC=C1 24591 [1,1,0,0,0,0|0,0,2]=4 349 B10R1.4 NC1=C(CCO)C=CC=C1 12462 [1,1,0,0,0,0|1,0,0]=3 350 B10R1.4 NCCC1=C(Br)C=CC=C1 22238 [1,1,0,0,0,0|0,0,0]=2 351 B10R1.4 NCCC1=C(F)C=CC=C1 27340 [1,1,0,0,0,0|0,0,0]=2 352 B10R1.4 NCCC1=C(O)C=CC=C1 16394 [1,1,0,0,0,0|0,0,0]=2 353 B10R1.4 NNCC1=C(F)C=CC=C1 35094 [1,1,0,0,0,0|1,0,0]=3 354 B10R1.4 NNCc1ccccc1F 34909 [1,1,0,0,0,0|1,0,0]=3 355 B10R1.4 N\N=C\C1=CC=CC=C1O 22926 [1,1,0,0,0,0|1,0,1]=4 356 B10R1.4 Nc1ccccc1CCO 22282 [1,1,0,0,0,0|1,0,0]=3 357 B10R1.4 OCCC1=C(Br)C=CC=C1 16178 [1,1,0,0,0,0|1,0,0]=3 358 B10R1.4 OCCC1=C(O)C=CC=C1 31971 [1,1,0,0,0,0|1,0,0]=3 359 B10R1.10 CC1=CC=CC(CCO)=N1 25853 [1,1,0,0,0,0|2,0,0]=4 360 B10R1.10 CCCC1=NC(Cl)=NC=C1 9829 [1,1,0,0,0,0|2,0,0]=4 361 B10R1.10 CCOC1=CC(Br)=CC=C1 3137 [1,1,0,0,0,0|1,0,0]=3 362 B10R1.10 CCOC1=CC(Br)=CN=C1 14409 [1,1,0,0,0,0|2,0,0]=4 363 B10R1.10 CCOC1=CC(C)=CC=C1 3180 [1,1,0,0,0,0|1,0,0]=3 364 B10R1.10 CCOC1=CC(Cl)=CC=C1 3162 [1,1,0,0,0,0|1,0,0]=3 365 B10R1.10 CCOC1=CC(F)=CC=C1 3174 [1,1,0,0,0,0|1,0,0]=3 366 B10R1.10 CCOC1=CC(F)=NC=C1 6672 [1,1,0,0,0,0|2,0,0]=4 367 B10R1.10 CCOC1=CC(I)=CC=C1 3241 [1,1,0,0,0,0|1,0,0]=3 368 B10R1.10 CCOC1=CC(N)=CC=C1 9507 [1,1,0,0,0,0|1,0,0]=3 369 B10R1.10 CCOC1=CC(N)=NC=C1 5698 [1,1,0,0,0,0|2,0,0]=4 370 B10R1.10 CCOC1=CC=CC(Br)=N1 5971 [1,1,0,0,0,0|2,0,0]=4 371 B10R1.10 CCOC1=CC=CC(O)=C1 9510 [1,1,0,0,0,0|1,0,0]=3 372 B10R1.10 CCOC1=CC=CC(S)=C1 6826 [1,1,0,0,0,0|1,0,0]=3 373 B10R1.10 CCOC1=CN=CC(Cl)=C1 6619 [1,1,0,0,0,0|2,0,0]=4 374 B10R1.10 CCOC1=NC=CC(Br)=C1 22048 [1,1,0,0,0,0|2,0,0]=4 375 B10R1.10 CCOC1=NC=CC(Cl)=C1 22039 [1,1,0,0,0,0|2,0,0]=4 376 B10R1.10 CCOC1=NC=CC(N)=C1 6647 [1,1,0,0,0,0|2,0,0]=4 377 B10R1.10 CNCC1=CC(Br)=CC=C1 23425 [1,1,0,0,0,0|1,0,0]=3 378 B10R1.10 COCC1=CC=CC(F)=C1 24279 [1,1,0,0,0,0|1,0,0]=3 379 B10R1.10 COCC1=CN=CC(Br)=C1 22088 [1,1,0,0,0,0|2,0,0]=4 380 B10R1.10 FC1=CC=CC(CCBr)=C1 4671 [1,1,0,0,0,0|1,0,0]=3 381 B10R1.10 N#CCC1=CC(Br)=CC=C1 4240 [1,1,0,0,0,0|0,0,2]=4 382 B10R1.10 N#CCC1=CC(Cl)=CC=C1 16504 [1,1,0,0,0,0|0,0,2]=4 383 B10R1.10 N#CCC1=CC(F)=CC=C1 4168 [1,1,0,0,0,0|0,0,2]=4 384 B10R1.10 N#CCC1=CC(I)=CC=C1 12771 [1,1,0,0,0,0|0,0,2]=4 385 B10R1.10 N#CCC1=CC(N)=CC=C1 1960 [1,1,0,0,0,0|0,0,2]=4 386 B10R1.10 NC1=CC=CC(CCO)=C1 27351 [1,1,0,0,0,0|1,0,0]=3 387 B10R1.10 NCCC1=CC(Br)=CC=C1 17194 [1,1,0,0,0,0|0,0,0]=2 388 B10R1.10 NCCC1=CC(Br)=CC=C1 23432 [1,1,0,0,0,0|0,0,0]=2 389 B10R1.10 NCCC1=CC(F)=CC=C1 13958 [1,1,0,0,0,0|0,0,0]=2 390 B10R1.10 NCCC1=CC(N)=CC=C1 5799 [1,1,0,0,0,0|0,0,0]=2 391 B10R1.10 NCCC1=CC(O)=CC=C1 21937 [1,1,0,0,0,0|0,0,0]=2 392 B10R1.10 NCCC1=CC=CC(N)=C1 11375 [1,1,0,0,0,0|0,0,0]=2 393 B10R1.10 NNCC1=CC(O)=CC=C1 14770 [1,1,0,0,0,0|1,0,0]=3 394 B10R1.10 OCCC1=CC(Br)=CC=C1 14821 [1,1,0,0,0,0|1,0,0]=3 395 B10R1.10 OCCC1=CC(F)=CC=C1 28824 [1,1,0,0,0,0|1,0,0]=3 396 B10R1.15 BrCC(Br)C1=CC=CC=C1 13572 [1,1,0,0,0,0|1,0,0]=3 397 B10R1.15 CC(C#N)C1=CC=CC=C1 12511 [1,1,0,0,0,0|0,0,2]=4 398 B10R1.15 CC(CBr)C1=CC=CC=C1 3829 [1,1,0,0,0,0|1,0,0]=3 399 B10R1.15 CC(CN)C1=CC=CC=C1 16143 [1,1,0,0,0,0|0,0,0]=2 400 B10R1.15 CCC(=O)C1=CC=CN=C1 27239 [1,1,0,0,0,0|1,0,1]=4 401 B10R1.15 CCC(C)C1=CC=CC=C1 28439 [1,1,0,0,0,0|0,0,0]=2 402 B10R1.15 CCC(N)C1=CC=CC=C1 21078 [1,1,0,0,0,0|0,0,0]=2 403 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 5668 [1,1,0,0,0,0|0,0,0]=2 404 B10R1.15 CNC(=O)C1=CC=CC=C1 35135 [1,1,0,0,0,0|1,0,1]=4 405 B10R1.15 CN[C@@H](C)C1=CC=CC=C1 18717 [1,1,0,0,0,0|1,0,0]=3 406 B10R1.15 C[C@H](CN)C1=CC=CC=C1 21084 [1,1,0,0,0,0|0,0,0]=2 407 B10R1.15 N#CC(N)c1ccccc1 28208 [1,1,0,0,0,0|0,0,2]=4 408 B10R1.15 NC(CO)C1=NC=CC=C1 18774 [1,1,0,0,0,0|2,0,0]=4 409 B10R1.15 NCC(=O)C1=CC=CC=C1 10002 [1,1,0,0,0,0|0,0,1]=3 410 B10R1.15 NCC(=O)C1=CC=CC=C1 21792 [1,1,0,0,0,0|0,0,1]=3 411 B10R1.15 NCC(=O)C1=CC=CC=C1 3247 [1,1,0,0,0,0|0,0,1]=3 412 B10R1.15 NCC(O)C1=CC=CC=C1 44911 [1,1,0,0,0,0|0,0,0]=2 413 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 13836 [1,1,0,0,0,0|0,0,0]=2 414 B10R1.15 NC[C@H](O)C1=CC=CC=C1 14747 [1,1,0,0,0,0|0,0,0]=2 415 B10R1.15 NNC(=O)c1ccccc1 21535 [1,1,0,0,0,0|1,0,1]=4 416 B10R1.15 N[C@@H](CO)c1ccccc1 6081 [1,1,0,0,0,0|1,0,0]=3 417 B10R1.15 N[C@H](CO)c1ccccc1 6080 [1,1,0,0,0,0|1,0,0]=3 418 B10R1.15 O=C(CBr)C1=CC=CC=C1 3257 [1,1,0,0,0,0|1,0,1]=4 419 B10R1.15 O=C(CCl)C1=CC=CC=C1 29268 [1,1,0,0,0,0|1,0,1]=4 420 B10R1.15 O=C(CF)C1=CC=CC=C1 3472 [1,1,0,0,0,0|1,0,1]=4 421 B10R1.15 O=C(CO)C1=CC=CC=C1 23011 [1,1,0,0,0,0|1,0,1]=4 422 B10R1.15 OC[C@@H](O)c1ccccc1 7148 [1,1,0,0,0,0|1,0,0]=3 423 B10R1.15 OC[C@H](O)c1ccccc1 7146 [1,1,0,0,0,0|1,0,0]=3 424 B10R1.15 O[C@H](CCl)C1=CC=CC=C1 15578 [1,1,0,0,0,0|1,0,0]=3 425 B10R1.17 BrCCCC1=CC=CC=C1 3832 [1,1,0,0,0,0|0,0,0]=2 426 B10R1.17 BrCCOC1=CC=CC=C1 3152 [1,1,0,0,0,0|1,0,0]=3 427 B10R1.17 C#CCSC1=CC=CC=C1 15323 [1,1,0,0,0,0|0,0,2]=4 428 B10R1.17 C=CCOC1=CC=CC=C1 29359 [1,1,0,0,0,0|0,0,2]=4 429 B10R1.17 C=COCC1=CC=CC=C1 36172 [1,1,0,0,0,0|0,0,2]=4 430 B10R1.17 CCCCC1=CC=CC=C1 13571 [1,1,0,0,0,0|0,0,0]=2 431 B10R1.17 CCNCC1=NC=CC=C1 23918 [1,1,0,0,0,0|1,0,0]=3 432 B10R1.17 CNCCC1=CC=NC=C1 14195 [1,1,0,0,0,0|1,0,0]=3 433 B10R1.17 ClCC#CC1=CC=CC=C1 13578 [1,1,0,0,0,0|0,0,2]=4 434 B10R1.17 ClCCOC1=CC=CC=C1 3167 [1,1,0,0,0,0|1,0,0]=3 435 B10R1.17 ClCCSC1=CC=CC=C1 36163 [1,1,0,0,0,0|1,0,0]=3 436 B10R1.17 ClCOCC1=CC=CC=C1 7566 [1,1,0,0,0,0|1,0,0]=3 437 B10R1.17 NCCCC1=CC=CN=C1 23791 [1,1,0,0,0,0|1,0,0]=3 438 B10R1.17 NCCOC1=CC=CC=C1 14773 [1,1,0,0,0,0|0,0,0]=2 439 B10R1.17 NCCOC1=CC=CC=C1 15299 [1,1,0,0,0,0|0,0,0]=2 440 B10R1.17 NNCCC1=CC=CC=C1 16246 [1,1,0,0,0,0|0,0,0]=2 441 B10R1.17 NNCOC1=CC=CN=C1 16450 [1,1,0,0,0,0|2,0,0]=4 442 B10R1.17 OCC#CC1=CC=CC=C1 13580 [1,1,0,0,0,0|0,0,2]=4 443 B10R1.17 OCCCC1=CC=CC=C1 15023 [1,1,0,0,0,0|0,0,0]=2 444 B10R1.17 OCCCC1=CC=CN=C1 13083 [1,1,0,0,0,0|1,0,0]=3 445 B10R1.17 OCCCC1=CC=NC=C1 13084 [1,1,0,0,0,0|1,0,0]=3 446 B10R1.17 OCCCC1=NC=CC=C1 13082 [1,1,0,0,0,0|1,0,0]=3 447 B10R1.17 OCCSC1=CC=CC=C1 10784 [1,1,0,0,0,0|1,0,0]=3 448 B10R1.17 S=C=NCC1=CC=CC=C1 14549 [1,1,0,0,0,0|1,0,1]=4 449 B10R1.17 [N-]=[N+]=NCC1=CC=CC=C1 25447 [1,1,0,0,0,0|1,0,1]=4 450 B10R1.13 C=C(C)C1=CC=C(O)C=C1 27834 [0,1,0,0,1,0|1,0,1]=4 451 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 3294 [0,1,0,0,1,0|1,0,1]=4 452 B10R1.13 CC(=O)C1=CC=C(C)C=C1 3326 [0,1,0,0,1,0|1,0,1]=4 453 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 3297 [0,1,0,0,1,0|1,0,1]=4 454 B10R1.13 CC(=O)C1=CC=C(F)C=C1 10587 [0,1,0,0,1,0|1,0,1]=4 455 B10R1.13 CC(=O)C1=CC=C(I)C=C1 3323 [0,1,0,0,1,0|1,0,1]=4 456 B10R1.13 CC(=O)C1=CC=C(N)C=C1 3288 [0,1,0,0,1,0|1,0,1]=4 457 B10R1.13 CC(=O)C1=CC=C(O)C=C1 3311 [0,1,0,0,1,0|1,0,1]=4 458 B10R1.13 CC(C)C1=CC=C(Br)C=C1 18676 [0,1,0,0,1,0|1,0,0]=3 459 B10R1.13 CC(C)C1=CC=C(I)C=C1 3975 [0,1,0,0,1,0|1,0,0]=3 460 B10R1.13 CC(C)C1=CC=C(N)C=N1 19458 [0,1,0,0,1,0|2,0,0]=4 461 B10R1.13 CC(C)C1=CC=C(S)C=C1 6814 [0,1,0,0,1,0|1,0,0]=3 462 B10R1.13 CC(N)C1=CC=C(Cl)C=C1 27544 [0,1,0,0,1,0|0,0,0]=2 463 B10R1.13 CC(N)C1=CC=C(F)C=C1 3425 [0,1,0,0,1,0|0,0,0]=2 464 B10R1.13 CC(O)C1=CC=C(Br)C=C1 12552 [0,1,0,0,1,0|1,0,0]=3 465 B10R1.13 CC1=CC=C(C(N)=O)C=C1 27569 [0,1,0,0,1,0|1,0,1]=4 466 B10R1.13 CC1=CC=C(N(C)C)C=C1 21347 [0,1,0,0,1,0|2,0,0]=4 467 B10R1.13 CC1=CC=C([C@H](C)O)C=C1 15589 [0,1,0,0,1,0|1,0,0]=3 468 B10R1.13 CN(C)C1=CC=C(Br)C=C1 2230 [0,1,0,0,1,0|2,0,0]=4 469 B10R1.13 CN(C)C1=CC=C(Cl)C=C1 5271 [0,1,0,0,1,0|2,0,0]=4 470 B10R1.13 CN(C)C1=CC=C(F)C=C1 3365 [0,1,0,0,1,0|2,0,0]=4 471 B10R1.13 CN(C)C1=CC=C(O)C=C1 27800 [0,1,0,0,1,0|2,0,0]=4 472 B10R1.13 CN(C)c1ccc(N)cc1 21651 [0,1,0,0,1,0|2,0,0]=4 473 B10R1.13 C[C@@H](N)C1=CC=C(Cl)C=C1 15222 [0,1,0,0,1,0|0,0,0]=2 474 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 15219 [0,1,0,0,1,0|0,0,0]=2 475 B10R1.13 C[C@@H](N)C1=CC=C(O)C=C1 2454 [0,1,0,0,1,0|0,0,0]=2 476 B10R1.13 C[C@@H](N)c1ccc(Br)cc1 14234 [0,1,0,0,1,0|0,0,0]=2 477 B10R1.13 C[C@@H](O)C1=CC=C(Br)C=C1 14252 [0,1,0,0,1,0|1,0,0]=3 478 B10R1.13 C[C@@H](O)C1=CC=C(Cl)C=C1 14249 [0,1,0,0,1,0|1,0,0]=3 479 B10R1.13 C[C@@H](O)C1=CC=C(F)C=C1 14245 [0,1,0,0,1,0|1,0,0]=3 480 B10R1.13 C[C@H](N)C1=CC=C(Cl)C=C1 15221 [0,1,0,0,1,0|0,0,0]=2 481 B10R1.13 C[C@H](N)C1=CC=C(F)C=C1 15218 [0,1,0,0,1,0|0,0,0]=2 482 B10R1.13 C[C@H](N)c1ccc(Br)cc1 5736 [0,1,0,0,1,0|0,0,0]=2 483 B10R1.13 C[C@H](O)C1=CC=C(Br)C=C1 14253 [0,1,0,0,1,0|1,0,0]=3 484 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 14251 [0,1,0,0,1,0|1,0,0]=3 485 B10R1.13 C[C@H](O)C1=CC=C(F)C=C1 14247 [0,1,0,0,1,0|1,0,0]=3 486 B10R1.13 Cc1ccc(C(Cl)Cl)cc1 10212 [0,1,0,0,1,0|2,0,0]=4 487 B10R1.13 Cc1ccc([C@@H](C)N)cc1 8021 [0,1,0,0,1,0|0,0,0]=2 488 B10R1.13 Cc1ccc([S@@](N)=O)cc1 9914 [0,1,0,0,1,0|2,0,0]=4 489 B10R1.13 Cc1ccc([S@](N)=O)cc1 9913 [0,1,0,0,1,0|2,0,0]=4 490 B10R1.13 FC(F)C1=CC=C(Br)C=C1 23296 [0,1,0,0,1,0|2,0,0]=4 491 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 25824 [0,1,0,0,1,0|1,0,1]=4 492 B10R1.13 N=C(N)C1=CC=C(N)C=C1 13445 [0,1,0,0,1,0|1,0,1]=4 493 B10R1.13 N=C(N)C1=CC=C(O)C=C1 18174 [0,1,0,0,1,0|1,0,1]=4 494 B10R1.13 NC(=O)C1=CC=C(Br)C=C1 3737 [0,1,0,0,1,0|1,0,1]=4 495 B10R1.13 NC(=O)C1=CC=C(Cl)C=C1 3619 [0,1,0,0,1,0|1,0,1]=4 496 B10R1.13 NC(=O)C1=CC=C(F)C=C1 3407 [0,1,0,0,1,0|1,0,1]=4 497 B10R1.13 NC(=O)C1=CC=C(N)C=C1 35461 [0,1,0,0,1,0|1,0,1]=4 498 B10R1.13 NC(=S)C1=CC=C(Cl)C=C1 10912 [0,1,0,0,1,0|1,0,1]=4 499 B10R1.13 NC(=S)C1=CC=C(N)C=C1 13560 [0,1,0,0,1,0|1,0,1]=4 500 B10R1.13 NC(=S)C1=CC=C(O)C=C1 13555 [0,1,0,0,1,0|1,0,1]=4 501 B10R1.13 NC1=CC=C(C(F)F)C=C1 23828 [0,1,0,0,1,0|2,0,0]=4 502 B10R1.13 OC1=CC=C(C(F)F)C=C1 19704 [0,1,0,0,1,0|2,0,0]=4 503 B10R1.28 CC(C)(C)C1=CC=CC=C1 36004 [0,1,0,0,1,0|1,0,0]=3 504 B10R1.28 CC(C)(N)C1=CC=CC=C1 19654 [0,1,0,0,1,0|0,0,0]=2 505 B10R1.28 CC(C)(O)C1=CC=NC=C1 16172 [0,1,0,0,1,0|2,0,0]=4 506 B10R1.28 CC(C)(O)C1=NC=CC=C1 34335 [0,1,0,0,1,0|2,0,0]=4 507 B10R1.28 CC(C)(S)C1=CC=CC=C1 6849 [0,1,0,0,1,0|1,0,0]=3 508 B10R1.28 CS(=O)(=O)C1=CC=CC=C1 10862 [0,1,0,0,1,0|2,0,0]=4 509 B10R1.28 C[Si](C)(Cl)C1=CC=CC=C1 10814 [0,1,0,0,1,0|1,1,0]=4 510 B10R1.28 ClC(Cl)(Cl)C1=CC=CC=C1 22016 [0,1,0,0,1,0|2,0,0]=4 511 B10R1.28 FC(F)(F)C1=CC=CC=C1 18922 [0,1,0,0,1,0|2,0,0]=4 512 B10R1.28 FC(F)(F)C1=CC=CC=C1 5423 [0,1,0,0,1,0|2,0,0]=4 513 B10R1.61 CC(=O)C1=C(Br)C=CC=C1 3086 [0,1,0,0,1,0|1,0,1]=4 514 B10R1.61 CC(=O)C1=C(C)C=CC=C1 3090 [0,1,0,0,1,0|1,0,1]=4 515 B10R1.61 CC(=O)C1=C(Cl)C=CC=C1 3084 [0,1,0,0,1,0|1,0,1]=4 516 B10R1.61 CC(=O)C1=C(F)C=CC=C1 22574 [0,1,0,0,1,0|1,0,1]=4 517 B10R1.61 CC(=O)C1=C(I)C=CC=C1 3893 [0,1,0,0,1,0|1,0,1]=4 518 B10R1.61 CC(=O)C1=C(O)C=CC=C1 23010 [0,1,0,0,1,0|1,0,1]=4 519 B10R1.61 CC(C)C1=C(Br)C=CC=C1 16461 [0,1,0,0,1,0|1,0,0]=3 520 B10R1.61 CC(C)C1=C(Cl)C=NC=C1 6618 [0,1,0,0,1,0|2,0,0]=4 521 B10R1.61 CC(C)C1=C(I)C=CC=C1 12584 [0,1,0,0,1,0|1,0,0]=3 522 B10R1.61 CC(C)C1=C(O)C=CN=C1 35264 [0,1,0,0,1,0|2,0,0]=4 523 B10R1.61 CC(C)C1=C(S)C=CC=C1 6880 [0,1,0,0,1,0|1,0,0]=3 524 B10R1.61 CC(C)C1=CC=CN=C1Cl 6145 [0,1,0,0,1,0|2,0,0]=4 525 B10R1.61 CC(C)C1=NC=CC=C1Br 32481 [0,1,0,0,1,0|2,0,0]=4 526 B10R1.61 CC1=C(C(Cl)Cl)C=CC=C1 10210 [0,1,0,0,1,0|2,0,0]=4 527 B10R1.61 CN(C)C1=C(Br)C=CC=C1 3759 [0,1,0,0,1,0|2,0,0]=4 528 B10R1.61 CN(C)C1=C(Cl)C=CC=C1 5269 [0,1,0,0,1,0|2,0,0]=4 529 B10R1.61 CN(C)C1=C(F)C=CC=C1 5243 [0,1,0,0,1,0|2,0,0]=4 530 B10R1.61 C[C@@H](N)C1=C(Cl)C=CC=C1 24734 [0,1,0,0,1,0|0,0,0]=2 531 B10R1.61 C[C@@H](N)C1=C(O)C=CC=C1 23367 [0,1,0,0,1,0|0,0,0]=2 532 B10R1.61 C[C@@H](O)C1=C(Br)C=CC=C1 5686 [0,1,0,0,1,0|1,0,0]=3 533 B10R1.61 C[C@@H](O)C1=C(Cl)C=CC=C1 3980 [0,1,0,0,1,0|1,0,0]=3 534 B10R1.61 C[C@@H](O)C1=C(F)C=CC=C1 24769 [0,1,0,0,1,0|1,0,0]=3 535 B10R1.61 C[C@H](N)C1=C(Cl)C=CC=C1 24731 [0,1,0,0,1,0|0,0,0]=2 536 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 15728 [0,1,0,0,1,0|0,0,0]=2 537 B10R1.61 C[C@H](O)C1=C(Br)C=CC=C1 5682 [0,1,0,0,1,0|1,0,0]=3 538 B10R1.61 C[C@H](O)C1=C(Cl)C=CC=C1 5670 [0,1,0,0,1,0|1,0,0]=3 539 B10R1.61 C[C@H](O)C1=C(F)C=CC=C1 24768 [0,1,0,0,1,0|1,0,0]=3 540 B10R1.61 NC(=O)C1=C(Br)C=CC=C1 3733 [0,1,0,0,1,0|1,0,1]=4 541 B10R1.61 NC(=O)C1=C(Cl)C=CC=C1 3617 [0,1,0,0,1,0|1,0,1]=4 542 B10R1.61 NC(=O)C1=C(F)C=CC=C1 3405 [0,1,0,0,1,0|1,0,1]=4 543 B10R1.61 NC(=O)C1=C(I)C=CC=C1 3299 [0,1,0,0,1,0|1,0,1]=4 544 B10R1.61 NC(=O)C1=CC=CC=C1N 13631 [0,1,0,0,1,0|1,0,1]=4 545 B10R1.61 NC(=O)C1=CC=CC=C1O 10992 [0,1,0,0,1,0|1,0,1]=4 546 B10R1.113 CC(=O)C1=CC(Br)=CC=C1 3087 [0,1,0,0,1,0|1,0,1]=4 547 B10R1.113 CC(=O)C1=CC(C)=CC=C1 4279 [0,1,0,0,1,0|1,0,1]=4 548 B10R1.113 CC(=O)C1=CC(Cl)=CC=C1 27309 [0,1,0,0,1,0|1,0,1]=4 549 B10R1.113 CC(=O)C1=CC(Cl)=CC=C1 3085 [0,1,0,0,1,0|1,0,1]=4 550 B10R1.113 CC(=O)C1=CC(F)=CC=C1 4232 [0,1,0,0,1,0|1,0,1]=4 551 B10R1.113 CC(=O)C1=CC(I)=CC=C1 3895 [0,1,0,0,1,0|1,0,1]=4 552 B10R1.113 CC(=O)C1=CC(N)=CC=C1 6391 [0,1,0,0,1,0|1,0,1]=4 553 B10R1.113 CC(=O)C1=CC(O)=CC=C1 3284 [0,1,0,0,1,0|1,0,1]=4 554 B10R1.113 CC(C)C1=CC=CC(Br)=N1 28919 [0,1,0,0,1,0|2,0,0]=4 555 B10R1.113 CC(C)C1=CC=CC(Cl)=N1 10559 [0,1,0,0,1,0|2,0,0]=4 556 B10R1.113 CC(C)C1=NC=CC(Cl)=C1 33540 [0,1,0,0,1,0|2,0,0]=4 557 B10R1.113 CC(C)c1cccc(Br)c1 27489 [0,1,0,0,1,0|1,0,0]=3 558 B10R1.113 CC(N)C1=CC(F)=CC=C1 24339 [0,1,0,0,1,0|0,0,0]=2 559 B10R1.113 CC(O)C1=CC(F)=CC=C1 28823 [0,1,0,0,1,0|1,0,0]=3 560 B10R1.113 CN(C)C1=CC(Br)=CC=C1 3760 [0,1,0,0,1,0|2,0,0]=4 561 B10R1.113 CN(C)C1=CC(Cl)=CC=C1 3637 [0,1,0,0,1,0|2,0,0]=4 562 B10R1.113 CN(C)C1=CC(F)=CC=C1 5244 [0,1,0,0,1,0|2,0,0]=4 563 B10R1.113 CN(C)C1=CC(N)=CC=C1 14991 [0,1,0,0,1,0|2,0,0]=4 564 B10R1.113 CN(C)C1=CC=CC(O)=C1 11072 [0,1,0,0,1,0|2,0,0]=4 565 B10R1.113 C[C@@H](N)C1=CC(Cl)=CC=C1 24741 [0,1,0,0,1,0|0,0,0]=2 566 B10R1.113 C[C@@H](N)C1=CC(F)=CC=C1 24730 [0,1,0,0,1,0|0,0,0]=2 567 B10R1.113 C[C@@H](O)C1=CC(Br)=CC=C1 15565 [0,1,0,0,1,0|1,0,0]=3 568 B10R1.113 C[C@@H](O)C1=CC(Cl)=CC=C1 15577 [0,1,0,0,1,0|1,0,0]=3 569 B10R1.113 C[C@@H](O)C1=CC(F)=CC=C1 24771 [0,1,0,0,1,0|1,0,0]=3 570 B10R1.113 C[C@H](N)C1=CC(Br)=CC=C1 14235 [0,1,0,0,1,0|0,0,0]=2 571 B10R1.113 C[C@H](N)C1=CC(Br)=CC=C1 24746 [0,1,0,0,1,0|0,0,0]=2 572 B10R1.113 C[C@H](N)C1=CC(Cl)=CC=C1 24735 [0,1,0,0,1,0|0,0,0]=2 573 B10R1.113 C[C@H](N)C1=CC(F)=CC=C1 25216 [0,1,0,0,1,0|0,0,0]=2 574 B10R1.113 C[C@H](O)C1=CC(Br)=CC=C1 24772 [0,1,0,0,1,0|1,0,0]=3 575 B10R1.113 C[C@H](O)C1=CC(Cl)=CC=C1 15576 [0,1,0,0,1,0|1,0,0]=3 576 B10R1.113 C[C@H](O)C1=CC(F)=CC=C1 24770 [0,1,0,0,1,0|1,0,0]=3 577 B10R1.113 FC1=CC(C(F)F)=CC=C1 28464 [0,1,0,0,1,0|2,0,0]=4 578 B10R1.113 N=C(N)C1=CC(Br)=CC=C1 25825 [0,1,0,0,1,0|1,0,1]=4 579 B10R1.113 N=C(N)C1=CC(Br)=CC=C1 25933 [0,1,0,0,1,0|1,0,1]=4 580 B10R1.113 NC(=O)C1=CC(Br)=CC=C1 3734 [0,1,0,0,1,0|1,0,1]=4 581 B10R1.113 NC(=O)C1=CC(Cl)=CC=C1 3618 [0,1,0,0,1,0|1,0,1]=4 582 B10R1.113 NC(=O)C1=CC(I)=CC=C1 3301 [0,1,0,0,1,0|1,0,1]=4 583 B10R1.113 NC(=O)C1=CC(N)=CC=C1 28767 [0,1,0,0,1,0|1,0,1]=4 584 B10R1.113 NC(=S)C1=CC(Cl)=CC=C1 20134 [0,1,0,0,1,0|1,0,1]=4 585 B10R1.113 NC(=S)C1=CC(F)=CC=C1 35675 [0,1,0,0,1,0|1,0,1]=4 586 B10R1.27 CNC(C)CC1=CC=CS1 24793 [0,1,0,0,1,0|1,0,0]=3 587 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 21102 [0,1,0,0,0,1|1,0,1]=4 588 B12R1.21 CN(C)CCC1=CC=C(O)C=C1 15217 [0,1,0,0,0,1|2,0,0]=4 589 B12R1.27 COC(=O)CCC1=CC=CC=C1 18417 [0,1,0,0,0,1|1,0,1]=4 590 B12R1.27 COC(=O)COC1=CC=CC=C1 12489 [0,1,0,0,0,1|1,0,1]=4 591 B12R1.27 COC(=O)CSC1=CC=CC=C1 10851 [0,1,0,0,0,1|1,0,1]=4 592 B12R1.27 NCC(=O)OCC1=CC=CC=C1 11141 [0,1,0,0,0,1|1,0,1]=4 593 B12R1.27 NNC(=O)OCC1=CC=CC=C1 13705 [0,1,0,0,0,1|1,0,1]=4 594 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 7461 [0,1,0,0,0,1|1,0,1]=4 595 B12R1.27 O=C(CCl)NCC1=CC=CC=C1 12461 [0,1,0,0,0,1|1,0,1]=4 596 B12R1.27 O=C(CCl)OCC1=CC=CC=C1 22780 [0,1,0,0,0,1|1,0,1]=4 597 B12R1.27 O=C(NO)OCC1=CC=CC=C1 22874 [0,1,0,0,0,1|1,0,1]=4 598 B12R1.43 NC(=O)C(N)CC1=CC=CC=C1 20603 [0,1,0,0,0,1|1,0,1]=4 599 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 19011 [0,1,0,0,0,1|1,0,1]=4 600 B12R1.107 CC(=O)NC(C)C1=CC=CC=C1 25350 [0,1,0,0,0,1|1,0,1]=4 601 B12R1.107 CC(=O)NC(C)c1ccccc1 28161 [0,1,0,0,0,1|1,0,1]=4 602 B12R1.107 CC(C)N[C@H](C)C1=CC=CC=C1 16362 [0,1,0,0,0,1|1,0,0]=3 603 B12R1.226 CC(C)NCC1=CC(Br)=CN=C1 19521 [0,1,0,0,0,1|2,0,0]=4 604 B12R1.891 CC(C)(O)C#CC1=CC=CC=C1 34777 [0,1,0,0,0,1|1,0,1]=4 605 B12R1.891 FC(F)(F)CCC1=CC=CC=C1 10049 [0,1,0,0,0,1|2,0,0]=4 606 B12R1.891 FC(F)(F)SCC1=CC=CC=C1 10808 [0,1,0,0,0,1|2,0,0]=4 607 B12R1.4 CC(C)OC1=CC=C(C=O)C=C1 9651 [0,2,0,0,0,0|2,0,0]=4 608 B12R1.4 CCC1=CC=C(CC(C)=O)C=C1 19953 [0,2,0,0,0,0|1,0,1]=4 609 B12R1.4 COC1=CC=C(C[C@@H](C)N)C=C1 36095 [0,2,0,0,0,0|0,0,0]=2 610 B12R1.19 CC1=C(Br)C=CC(CC(C)C)=C1 35294 [0,2,0,0,0,0|1,0,0]=3 611 B12R1.20 CC(Br)C(=O)C1=CC=C(Cl)C=C1 35873 [0,2,0,0,0,0|1,0,1]=4 612 B12R1.20 NC(=O)[C@H](N)C1=CC=C(O)C=C1 13166 [0,2,0,0,0,0|1,0,1]=4 613 B12R1.49 COC(=O)CC1=CC=C(Cl)C=C1 20312 [0,2,0,0,0,0|1,0,1]=4 614 B12R1.49 COC(=O)CC1=CC=C(F)C=C1 24389 [0,2,0,0,0,0|1,0,1]=4 615 B12R1.49 COC(=O)CC1=CC=C(O)C=C1 19751 [0,2,0,0,0,0|1,0,1]=4 616 B12R1.49 N[C@@H](CO)CC1=CC=C(I)C=C1 23966 [0,2,0,0,0,0|0,0,0]=2 617 B12R1.49 N[C@H](CO)CC1=CC=C(Cl)C=C1 23081 [0,2,0,0,0,0|0,0,0]=2 618 B12R1.106 CC(C)(C)OC1=CC=C(Br)C=C1 26114 [0,2,0,0,0,0|2,0,0]=4 619 B12R1.233 CC(C)OC1=C(Cl)C=C(Br)C=C1 34524 [0,2,0,0,0,0|2,0,0]=4 620 B12R1.34 COC(=O)C(O)C1=CC=CC=C1 10350 [0,2,0,0,0,0|1,0,1]=4 621 B12R1.34 COC(=O)C(O)C1=CC=CC=C1 13835 [0,2,0,0,0,0|1,0,1]=4 622 B12R1.34 COC(=O)[C@@H](N)C1=CC=CC=C1 10946 [0,2,0,0,0,0|1,0,1]=4 623 B12R1.34 COC(=O)[C@@H](N)C1=CC=CC=C1 18925 [0,2,0,0,0,0|1,0,1]=4 624 B12R1.34 COC(=O)[C@H](N)C1=CC=CC=C1 19021 [0,2,0,0,0,0|1,0,1]=4 625 B12R1.34 COC(=O)[C@H](O)c1ccccc1 10418 [0,2,0,0,0,0|1,0,1]=4 626 B12R1.34 COC(Br)C(=O)C1=CC=CC=C1 2120 [0,2,0,0,0,0|1,0,1]=4 627 B12R1.34 N[C@@H](CO)[C@@H](O)c1ccccc1 6415 [0,2,0,0,0,0|0,0,0]=2 628 B12R1.34 N[C@H](CO)[C@H](O)C1=CC=CC=C1 16203 [0,2,0,0,0,0|0,0,0]=2 629 B12R1.225 CC1=CC=CC(C(=O)C(C)Br)=C1 35026 [0,2,0,0,0,0|1,0,1]=4 630 B12R1.225 C[C@@H](c1cccc(O)c1)N(C)C 9985 [0,2,0,0,0,0|2,0,0]=4 631 B12R1.564 CC(C)(Br)C(=O)C1=CC=CC=C1 15090 [0,2,0,0,0,0|1,0,1]=4 632 B12R1.564 CC(C)(O)C(=O)C1=CC=CC=C1 20905 [0,2,0,0,0,0|1,0,1]=4 633 B12R1.564 NC(C1=CC=CC=C1)C(F)(F)F 13913 [0,2,0,0,0,0|2,0,0]=4 634 B12R1.564 NC(C1=CC=CC=C1)C(F)(F)F 18735 [0,2,0,0,0,0|2,0,0]=4 635 B12R1.564 OC(C1=CC=CC=C1)C(F)(F)F 28818 [0,2,0,0,0,0|2,0,0]=4 636 B12R1.564 O[C@@H](C1=CC=CC=C1)C(F)(F)F 15591 [0,2,0,0,0,0|2,0,0]=4 637 B12R1.32 CCOC(=O)CC1=CC=CC=C1 15902 [0,2,0,0,0,0|1,0,1]=4 638 B12R1.32 CN(CCN)CC1=CC=CC=C1 23917 [0,2,0,0,0,0|1,0,0]=3 639 B12R1.50 COC(=O)CC1=CC(F)=CC=C1 28864 [0,2,0,0,0,0|1,0,1]=4 640 B12R1.50 COC(=O)CC1=CC(N)=CC=C1 28843 [0,2,0,0,0,0|1,0,1]=4 641 B12R1.50 COC(=O)CC1=CC(N)=CC=C1 31448 [0,2,0,0,0,0|1,0,1]=4 642 B12R1.50 COC(=O)CC1=CC(O)=CC=C1 27416 [0,2,0,0,0,0|1,0,1]=4 643 B12R1.118 OCC(CO)CC1=CC=CC=C1 35021 [0,2,0,0,0,0|1,0,0]=3 644 B12R1.371 COC(=O)CC1=C(Br)C=CC=C1 25827 [0,2,0,0,0,0|1,0,1]=4 645 B12R1.75 CC(C)OC1=C(CN)C=CC=C1 23166 [0,2,0,0,0,0|2,0,0]=4 646 B12R1.75 COC1=C(CC(C)=O)C=CC=C1 23387 [0,2,0,0,0,0|1,0,1]=4 647 B12R1.127 CC1=CC(CC(C)C)=C(Br)C=C1 35270 [0,2,0,0,0,0|1,0,0]=3 648 B12R1.151 CC(C)(N)CC1=C(Br)C=CC=C1 34588 [0,2,0,0,0,0|0,0,0]=2 649 B12R1.224 CC(C)OC1=CC=CC(Br)=C1O 33839 [0,2,0,0,0,0|2,0,0]=4 650 B12R1.224 CC(C)OC1=CC=CC(F)=C1F 10686 [0,2,0,0,0,0|2,0,0]=4 651 B12R1.438 COC1=CC=CC(CC(C)=O)=C1 28267 [0,2,0,0,0,0|1,0,1]=4 652 B10R2.6 C1=CC=C(C2CC2)C=C1 19698 [1,0,0,1,0,0|0,0,0]=2 653 B10R2.6 C1=CC=C([C@@H]2CO2)C=C1 5831 [1,0,0,1,0,0|1,0,0]=3 654 B10R2.6 C1=CC=C([C@H]2CO2)C=C1 5835 [1,0,0,1,0,0|1,0,0]=3 655 B10R2.7 C1=CC2=C(C=C1)NC=N2 11074 [1,0,0,1,0,0|1,0,1]=4 656 B10R2.7 C1=CC2=C(C=C1)NN=N2 16004 [1,0,0,1,0,0|2,0,0]=4 657 B10R2.7 C1=CC2=C(C=C1)OCC2 6931 [1,0,0,1,0,0|1,0,0]=3 658 B10R2.7 C1=CC2=C(C=C1)OCO2 2537 [1,0,0,1,0,0|2,0,0]=4 659 B10R2.7 C1=CC2=C(C=N1)CNC2 17767 [1,0,0,1,0,0|2,0,0]=4 660 B10R2.7 C1=CC2=C(C=N1)CNC2 19108 [1,0,0,1,0,0|2,0,0]=4 661 B10R2.7 C1=CC=C2CC=CC2=C1 20728 [1,0,0,1,0,0|0,0,2]=4 662 B10R2.7 C1=CC=C2CCCC2=C1 20379 [1,0,0,1,0,0|0,0,0]=2 663 B10R2.7 C1=CC=C2CNCC2=C1 16248 [1,0,0,1,0,0|1,0,0]=3 664 B10R2.7 C1=CC=C2CNCC2=C1 16512 [1,0,0,1,0,0|1,0,0]=3 665 B10R2.7 C1=CC=C2CNCC2=C1 33470 [1,0,0,1,0,0|1,0,0]=3 666 B10R2.7 C1=CC=C2NCCC2=C1 7502 [1,0,0,1,0,0|0,0,0]=2 667 B10R2.7 C1=CC=C2NN=CC2=C1 15665 [1,0,0,1,0,0|1,0,1]=4 668 B10R2.7 C1=CN=C2CCCC2=C1 15900 [1,0,0,1,0,0|1,0,0]=3 669 B10R2.7 C1=CN=C2CNCC2=C1 11371 [1,0,0,1,0,0|2,0,0]=4 670 B10R2.7 C1=CN=C2CNCC2=C1 18111 [1,0,0,1,0,0|2,0,0]=4 671 B10R2.7 C1=CN=C2NCCC2=C1 18022 [1,0,0,1,0,0|1,0,0]=3 672 B10R2.7 C1=NC=C2NCCC2=C1 18023 [1,0,0,1,0,0|1,0,0]=3 673 B10R2.320 BrC1CC2=CC=CC=C21 36330 [1,0,0,1,0,0|1,0,0]=3 674 B10R2.2 N[C@H]1CC2=NC=CN2C1 34640 [0,0,0,1,1,0|2,0,0]=4 675 B12R2.24 CC1CCC2=CC=CC=C2N1 7515 [0,0,0,1,0,1|0,0,0]=2 676 B12R2.24 NN1CCC2=CC=CC=C2C1 27729 [0,0,0,1,0,1|1,0,0]=3 677 B12R2.24 N[C@H]1CCC2=CC=CC=C2C1 23249 [0,0,0,1,0,1|0,0,0]=2 678 B12R2.24 O=C1CC2=CC=CC=C2CO1 22155 [0,0,0,1,0,1|1,0,1]=4 679 B12R2.24 O=C1CCC2=CC=CC=C2C1 17934 [0,0,0,1,0,1|1,0,1]=4 680 B12R2.24 O=C1COC2=C(C=CC=C2)N1 18791 [0,0,0,1,0,1|1,0,1]=4 681 B12R2.24 O=C1COC2=CC=CC=C2C1 9704 [0,0,0,1,0,1|1,0,1]=4 682 B12R2.92 ClC1(Cl)CC1C2=CC=CC=C2 18679 [0,0,0,1,0,1|2,0,0]=4 683 B12R2.2057 C1=CC=C(OC[C@@H]2CO2)C=C1 14082 [0,0,0,1,0,1|1,0,0]=3 684 B12R2.2057 C1=CC=C(OC[C@H]2CO2)C=C1 14080 [0,0,0,1,0,1|1,0,0]=3 685 B12R2.606 CC1=CC2=C(C=C1)N=C(C)N2 7657 [0,1,0,1,0,0|1,0,1]=4 686 B12R2.606 CC1=CC2=CC(Br)=CC=C2N1 9382 [0,1,0,1,0,0|0,0,2]=4 687 B12R2.606 CC1=CC2=CC(Cl)=CC=C2N1 17201 [0,1,0,1,0,0|0,0,2]=4 688 B12R2.606 CC1=CC2=CC(F)=CC=C2N1 2158 [0,1,0,1,0,0|0,0,2]=4 689 B12R2.606 CC1=CC2=CC(N)=CC=C2N1 7273 [0,1,0,1,0,0|0,0,2]=4 690 B12R2.606 CC1=CC2=CC(O)=CC=C2N1 8551 [0,1,0,1,0,0|0,0,2]=4 691 B12R2.606 CC1=CC2=CC=C(Cl)C=C2N1 19921 [0,1,0,1,0,0|0,0,2]=4 692 B12R2.606 CC1=CC2=CC=C(F)C=C2N1 19920 [0,1,0,1,0,0|0,0,2]=4 693 B12R2.606 CC1=CC2=CC=C(O)C=C2N1 19945 [0,1,0,1,0,0|0,0,2]=4 694 B12R2.606 CC1=CC=C2NC(=O)CC2=C1 8314 [0,1,0,1,0,0|1,0,1]=4 695 B12R2.606 CC1=CC=C2NC(C)=CC2=C1 7330 [0,1,0,1,0,0|0,0,2]=4 696 B12R2.606 CC1=NC2=C(C=C(Cl)C=C2)N1 7651 [0,1,0,1,0,0|1,0,1]=4 697 B12R2.606 CC1=NC2=C(C=C(F)C=C2)N1 6528 [0,1,0,1,0,0|1,0,1]=4 698 B12R2.606 CC1=NC2=C(C=C(I)C=C2)N1 27312 [0,1,0,1,0,0|1,0,1]=4 699 B12R2.606 CC1=NC2=C(C=C(N)C=C2)N1 33480 [0,1,0,1,0,0|1,0,1]=4 700 B12R2.606 NC1=CC=C2NC(=O)CC2=C1 7209 [0,1,0,1,0,0|1,0,1]=4 701 B12R2.606 NC1CC2=CC=C(Br)C=C2C1 34824 [0,1,0,1,0,0|0,0,0]=2 702 B12R2.606 NC1CC2=CC=C(I)C=C2C1 19968 [0,1,0,1,0,0|0,0,0]=2 703 B12R2.606 NC1CC2=CC=C(I)C=C2C1 25849 [0,1,0,1,0,0|0,0,0]=2 704 B12R2.606 O=C1CC2=CC(Br)=CC=C2N1 7169 [0,1,0,1,0,0|1,0,1]=4 705 B12R2.606 O=C1CC2=CC(Cl)=CC=C2N1 1673 [0,1,0,1,0,0|1,0,1]=4 706 B12R2.606 O=C1CC2=CC(F)=CC=C2N1 1687 [0,1,0,1,0,0|1,0,1]=4 707 B12R2.606 O=C1CC2=CC(O)=CC=C2N1 7348 [0,1,0,1,0,0|1,0,1]=4 708 B12R2.606 O=C1CC2=CC=C(Br)C=C2C1 18044 [0,1,0,1,0,0|1,0,1]=4 709 B12R2.606 O=C1CC2=CC=C(Br)C=C2N1 7320 [0,1,0,1,0,0|1,0,1]=4 710 B12R2.606 O=C1CC2=CC=C(Cl)C=C2C1 18039 [0,1,0,1,0,0|1,0,1]=4 711 B12R2.606 O=C1CC2=CC=C(Cl)C=C2N1 1674 [0,1,0,1,0,0|1,0,1]=4 712 B12R2.606 O=C1CC2=CC=C(F)C=C2C1 18032 [0,1,0,1,0,0|1,0,1]=4 713 B12R2.606 O=C1CC2=CC=C(F)C=C2N1 1688 [0,1,0,1,0,0|1,0,1]=4 714 B12R2.606 O=C1CC2=CC=C(I)C=C2C1 18087 [0,1,0,1,0,0|1,0,1]=4 715 B12R2.606 OC1CC2=CC=C(Br)C=C2C1 34825 [0,1,0,1,0,0|1,0,0]=3 716 B12R2.18 CC1=C(C)C2=CC=CC=C2N1 7334 [0,1,0,1,0,0|0,0,2]=4 717 B12R2.18 CC1=CC2=CC=CC=C2N1C 7333 [0,1,0,1,0,0|0,0,2]=4 718 B12R2.18 CC1CC2=CC=CC=C2C1=O 2387 [0,1,0,1,0,0|1,0,0]=3 719 B12R2.18 CC1CC2=CC=CC=C2N1N 23226 [0,1,0,1,0,0|0,0,0]=2 720 B12R2.18 CC1CC2=CC=CC=C2N1N 9485 [0,1,0,1,0,0|0,0,0]=2 721 B12R2.18 CN1NC2=CC=CC=C2C1=O 27652 [0,1,0,1,0,0|1,0,1]=4 722 B12R2.18 N[C@@H]1C2=CC=CC=C2C[C@@H]1O 5733 [0,1,0,1,0,0|1,0,0]=3 723 B12R2.18 N[C@H]1c2ccccc2C[C@@H]1O 16026 [0,1,0,1,0,0|1,0,0]=3 724 B12R2.18 N[C@H]1c2ccccc2C[C@H]1O 5732 [0,1,0,1,0,0|1,0,0]=3 725 B12R2.18 O=C1C2=CC=CC=C2CC1Br 8852 [0,1,0,1,0,0|1,0,1]=4 726 B12R2.18 OC1C2=CC=CC=C2CC1Br 3783 [0,1,0,1,0,0|1,0,0]=3 727 B12R2.27 OC[C@@H]1O[C@H]1C2=CC=CC=C2 11278 [0,1,0,1,0,0|1,0,0]=3 728 B12R2.27 OC[C@H]1O[C@@H]1C2=CC=CC=C2 11277 [0,1,0,1,0,0|1,0,0]=3 729 B12R2.32 CCC1=CC2=CC=CC=C2C1 5396 [0,1,0,1,0,0|1,0,1]=4 730 B12R2.32 CCC1=CC2=CC=CC=C2N1 22566 [0,1,0,1,0,0|0,0,2]=4 731 B12R2.32 CCC1=NC2=C(C=CC=C2)N1 21432 [0,1,0,1,0,0|1,0,1]=4 732 B12R2.32 ClCC1=NC2=C(C=CC=C2)N1 7545 [0,1,0,1,0,0|1,0,1]=4 733 B12R2.32 N#CC1CC2=CC=CC=C2C1 23088 [0,1,0,1,0,0|0,0,1]=3 734 B12R2.32 NCC1=CC2=CC=CC=C2N1 20289 [0,1,0,1,0,0|0,0,2]=4 735 B12R2.32 NCC1=NC2=C(C=CC=C2)N1 26374 [0,1,0,1,0,0|1,0,1]=4 736 B12R2.32 OCC1=NC2=C(C=CC=C2)N1 7590 [0,1,0,1,0,0|1,0,1]=4 737 B12R2.202 CC1=CC2=C(Br)C=CC=C2C1 35099 [0,1,0,1,0,0|1,0,1]=4 738 B12R2.202 CC1=CC2=C(Cl)C=CC=C2C1 35009 [0,1,0,1,0,0|1,0,1]=4 739 B12R2.202 CC1=CC2=C(O)C=CC=C2N1 9379 [0,1,0,1,0,0|0,0,2]=4 740 B12R2.202 CC1=CC2=CC=CC(Br)=C2C1 24325 [0,1,0,1,0,0|1,0,1]=4 741 B12R2.202 O=C1CC2=C(Br)C=CC=C2N1 7952 [0,1,0,1,0,0|1,0,1]=4 742 B12R2.202 O=C1CC2=CC=CC(Br)=C2C1 18017 [0,1,0,1,0,0|1,0,1]=4 743 B12R2.202 O=C1CC2=CC=CC(Br)=C2N1 8934 [0,1,0,1,0,0|1,0,1]=4 744 B12R2.202 O=C1CC2=CC=CC(Cl)=C2C1 18014 [0,1,0,1,0,0|1,0,1]=4 745 B12R2.202 O=C1CC2=CC=CC(Cl)=C2N1 8305 [0,1,0,1,0,0|1,0,1]=4 746 B12R2.202 O=C1CC2=CC=CC(F)=C2C1 18006 [0,1,0,1,0,0|1,0,1]=4 747 B12R2.202 O=C1CC2=CC=CC(F)=C2N1 8552 [0,1,0,1,0,0|1,0,1]=4 748 B12R2.225 OC1=C(OC2CC2)C=CC=C1 26352 [0,1,0,1,0,0|2,0,0]=4 749 B8R1.8 CCCC1=NC=CN1 15976 [1,0,0,0,1,0|2,0,0]=4 750 B8R1.8 CNCC1=CC=CS1 22897 [1,0,0,0,1,0|2,0,0]=4 751 B8R1.8 NCCC1=CC=CS1 5579 [1,0,0,0,1,0|1,0,0]=3 752 B8R1.8 NCCC1=CC=CS1 8859 [1,0,0,0,1,0|1,0,0]=3 753 B8R1.8 NCCC1=CNC=N1 9893 [1,0,0,0,1,0|2,0,0]=4 754 B8R1.8 NCCC1=CSC=C1 14605 [1,0,0,0,1,0|1,0,0]=3 755 B8R1.8 NCCC1=CSC=C1 24381 [1,0,0,0,1,0|1,0,0]=3 756 B8R1.8 NCCC1=NC=CN1 24954 [1,0,0,0,1,0|2,0,0]=4 757 B8R1.8 NCCN1C=CN=C1 12985 [1,0,0,0,1,0|2,0,0]=4 758 B8R1.8 NCCN1C=CN=C1 8054 [1,0,0,0,1,0|2,0,0]=4 759 B8R1.8 OCCC1=CC=CS1 5581 [1,0,0,0,1,0|2,0,0]=4 760 B8R1.8 OCCC1=CSC=C1 20415 [1,0,0,0,1,0|2,0,0]=4 761 B8R1.7 CC(C)=C1C=CC=C1 35011 [0,0,0,0,2,0|1,0,1]=4 762 B8R1.7 CC(O)[C-]1C=CC=C1 35557 [0,0,0,0,2,0|1,0,1]=4 763 B12R1.252 CC(=O)CCCC1=CC=CC=C1 23541 [0,0,0,0,0,2|1,0,1]=4 764 B12R1.252 CC(=O)COCC1=CC=CC=C1 16411 [0,0,0,0,0,2|1,0,1]=4 765 B12R1.252 CC(=O)NCCC1=CC=CC=C1 18566 [0,0,0,0,0,2|1,0,1]=4 766 B12R1.252 NC(=O)NOCC1=CC=CC=C1 19804 [0,0,0,0,0,2|1,0,1]=4