0 B9R1.13 CC(=O)NC1=CC=CS1 5216 [0,0,0,0,0,0|1,1,0]=2 1 B9R1.13 CC(=O)NC1=NC=CS1 35618 [0,0,0,0,0,0|2,1,0]=3 2 B9R1.13 CC(C)CC1=NC=CS1 9942 [0,0,0,0,0,0|2,1,1]=4 3 B9R1.13 CC(N)CC1=CC=CS1 24782 [0,0,0,0,0,0|1,1,1]=3 4 B9R1.13 O=C(Cl)CC1=CC=CS1 5578 [0,0,0,0,0,0|1,1,0]=2 5 B9R1.13 O=C(O)CC1=CC=CO1 17310 [0,0,0,0,0,0|1,0,0]=1 6 B9R1.13 O=C(O)CC1=CC=CS1 5168 [0,0,0,0,0,0|1,1,0]=2 7 B9R1.13 O=C(O)CC1=CSC=C1 5586 [0,0,0,0,0,0|3,0,0]=3 8 B9R1.13 O=C(O)CC1=NC=CN1 18001 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.13 O=C(O)CC1C=CCC1 31950 [0,0,0,0,0,0|2,0,2]=4 10 B9R1.13 O=C(O)CN1C=CN=C1 7609 [0,0,0,0,0,0|4,0,0]=4 11 B9R1.13 O=C(O)CN1C=CN=C1 8383 [0,0,0,0,0,0|4,0,0]=4 12 B8R1.8 CCCC1=NC=CN1 15976 [1,0,0,0,0,0|2,0,1]=4 13 B8R1.8 CNCC1=CC=CS1 22897 [1,0,0,0,0,0|1,1,0]=3 14 B8R1.8 CNCC1=NNC=C1 14335 [1,0,0,0,0,0|3,0,0]=4 15 B8R1.8 Cl[Mg]CC1=CC=CO1 2072 [1,0,0,0,0,0|2,0,0]=3 16 B8R1.8 N#CCC1=CC=CS1 5590 [1,0,0,0,0,0|1,1,1]=4 17 B8R1.8 NCCC1=CC=CS1 5579 [1,0,0,0,0,0|1,1,1]=4 18 B8R1.8 NCCC1=CC=CS1 8859 [1,0,0,0,0,0|1,1,1]=4 19 B8R1.8 O=CCC1=CC=NO1 24239 [1,0,0,0,0,0|1,0,0]=2 20 B8R1.8 O=CCC1=NOC=C1 24240 [1,0,0,0,0,0|2,0,0]=3 21 B8R1.8 OCCC1=CC=CS1 5581 [1,0,0,0,0,0|0,1,2]=4 22 B10R1.23 NC(C(=O)O)C1=CC=CO1 35017 [0,1,0,0,0,0|1,0,0]=2 23 B10R1.23 N[C@@H](C(=O)O)C1=CC=CS1 29908 [0,1,0,0,0,0|1,1,0]=3 24 B10R1.23 N[C@@H](C(=O)O)c1ccsc1 29914 [0,1,0,0,0,0|3,0,0]=4 25 B10R1.23 N[C@H](C(=O)O)C1=CC=CS1 29907 [0,1,0,0,0,0|1,1,0]=3 26 B10R1.23 N[C@H](C(=O)O)c1ccsc1 29913 [0,1,0,0,0,0|3,0,0]=4 27 B10R1.23 O=C(O)C(=O)C1=CC=CS1 5576 [0,1,0,0,0,0|1,1,1]=4 28 B10R1.23 O=C(O)C(O)C1=CC=CS1 23764 [0,1,0,0,0,0|1,1,0]=3 29 B10R1.27 CNC(C)CC1=CC=CS1 24793 [0,1,0,0,0,0|1,1,1]=4 30 B10R1.54 CC(=O)NC1=NC(Br)=CS1 33360 [0,1,0,0,0,0|2,1,0]=4 31 B10R1.54 CC(=O)NC1=NC(Cl)=CS1 33359 [0,1,0,0,0,0|2,1,0]=4 32 B10R1.54 NC1=NC(CC(=O)O)=CS1 20693 [0,1,0,0,0,0|3,0,0]=4 33 B10R1.54 NC1=NC(CC(=O)O)=CS1 30319 [0,1,0,0,0,0|3,0,0]=4 34 B10R1.64 CN1C=CC=C1CC(=O)O 15041 [0,1,0,0,0,0|2,0,0]=3 35 B10R1.281 C[Si](C)(C)CC1=CC=CS1 16483 [0,1,0,0,0,0|1,2,0]=4 36 B8R0.5 CCOC(=O)CC(C)=O 14160 [0,0,1,0,0,0|1,0,2]=4 37 B10R2.2 CC1=NC2=C(C=CS2)S1 14385 [0,0,0,1,0,0|1,2,0]=4 38 B8R1.7 CC(=O)C1=CC=CN1 20915 [0,0,0,0,1,0|1,0,0]=2 39 B8R1.7 CC(=O)C1=CC=CO1 6939 [0,0,0,0,1,0|0,0,0]=1 40 B8R1.7 CC(=O)C1=CC=CS1 5172 [0,0,0,0,1,0|0,1,0]=2 41 B8R1.7 CC(=O)C1=CNC=C1 22508 [0,0,0,0,1,0|2,0,0]=3 42 B8R1.7 CC(=O)C1=CNC=N1 12484 [0,0,0,0,1,0|2,0,0]=3 43 B8R1.7 CC(=O)C1=CNN=C1 30409 [0,0,0,0,1,0|3,0,0]=4 44 B8R1.7 CC(=O)C1=CSC=C1 5220 [0,0,0,0,1,0|2,0,0]=3 45 B8R1.7 CC(=O)C1=NC=CO1 23008 [0,0,0,0,1,0|1,0,0]=2 46 B8R1.7 CC(=O)C1=NC=CS1 9940 [0,0,0,0,1,0|1,1,0]=3 47 B8R1.7 CC(=O)N1C=CC=N1 13397 [0,0,0,0,1,0|2,0,0]=3 48 B8R1.7 CC(=O)N1C=CN=C1 25826 [0,0,0,0,1,0|3,0,0]=4 49 B8R1.7 CC(C)=C1C=CC=C1 35011 [0,0,0,0,1,0|2,0,0]=3 50 B8R1.7 NC(=O)C1=NNC=C1 14330 [0,0,0,0,1,0|3,0,0]=4 51 B8R1.7 NC(=S)C1=CC=CS1 32072 [0,0,0,0,1,0|1,2,0]=4 52 B8R1.7 O=C(Cl)C1=CC=CO1 19997 [0,0,0,0,1,0|1,0,0]=2 53 B8R1.7 O=C(Cl)C1=CC=CS1 5166 [0,0,0,0,1,0|1,1,0]=3 54 B8R1.7 O=C(Cl)C1=CSC=C1 5597 [0,0,0,0,1,0|3,0,0]=4 55 B8R1.7 O=C(O)C1=CC=CN1 15698 [0,0,0,0,1,0|2,0,0]=3 56 B8R1.7 O=C(O)C1=CC=CO1 6946 [0,0,0,0,1,0|1,0,0]=2 57 B8R1.7 O=C(O)C1=CC=CS1 5157 [0,0,0,0,1,0|1,1,0]=3 58 B8R1.7 O=C(O)C1=CC=NN1 12935 [0,0,0,0,1,0|3,0,0]=4 59 B8R1.7 O=C(O)C1=CC=NN1 35926 [0,0,0,0,1,0|3,0,0]=4 60 B8R1.7 O=C(O)C1=CC=NO1 8643 [0,0,0,0,1,0|2,0,0]=3 61 B8R1.7 O=C(O)C1=CC=NS1 30427 [0,0,0,0,1,0|2,1,0]=4 62 B8R1.7 O=C(O)C1=CN=CN1 9003 [0,0,0,0,1,0|3,0,0]=4 63 B8R1.7 O=C(O)C1=CN=CS1 14533 [0,0,0,0,1,0|2,1,0]=4 64 B8R1.7 O=C(O)C1=CNC=C1 8345 [0,0,0,0,1,0|3,0,0]=4 65 B8R1.7 O=C(O)C1=COC=C1 6945 [0,0,0,0,1,0|3,0,0]=4 66 B8R1.7 O=C(O)C1=COC=N1 11025 [0,0,0,0,1,0|3,0,0]=4 67 B8R1.7 O=C(O)C1=CSC=C1 7735 [0,0,0,0,1,0|3,0,0]=4 68 B8R1.7 O=C(O)C1=CSC=N1 35764 [0,0,0,0,1,0|3,0,0]=4 69 B8R1.7 O=C(O)C1=NC=CN1 25373 [0,0,0,0,1,0|3,0,0]=4 70 B8R1.7 O=C(O)C1=NC=CS1 16257 [0,0,0,0,1,0|2,1,0]=4 71 B8R1.7 O=C(O)C1=NOC=C1 12341 [0,0,0,0,1,0|3,0,0]=4 72 B8R1.7 O=C(O)C1=NSC=C1 22100 [0,0,0,0,1,0|3,0,0]=4 73 B8R1.7 O=C(O)[C-]1C=CC=C1 10724 [0,0,0,0,1,0|2,0,1]=4 74 B8R1.7 O=C([O-])C1=CC=CS1 32366 [0,0,0,0,1,0|1,1,0]=3 75 B8R1.7 O=[N+]([O-])C1=CC=CS1 5570 [0,0,0,0,1,0|2,1,0]=4 76 B8R1.7 OB(O)C1=CC=CO1 2182 [0,0,0,0,1,0|2,0,1]=4 77 B10R1.18 CC(=O)CC1=CC=NC=C1 21323 [0,0,0,0,0,1|1,0,0]=2 78 B10R1.18 CC(=O)CC1=NC=CC=C1 32233 [0,0,0,0,0,1|1,0,0]=2 79 B10R1.18 CC(=O)NC1=CN=CN=C1 25070 [0,0,0,0,0,1|3,0,0]=4 80 B10R1.18 CC(=O)SC1=CC=CC=C1 15324 [0,0,0,0,0,1|2,0,0]=3 81 B10R1.18 CC(O)CC1=CC=CC=C1 36130 [0,0,0,0,0,1|1,0,2]=4 82 B10R1.18 O=C(Cl)CC1=CC=CC=C1 35236 [0,0,0,0,0,1|2,0,0]=3 83 B10R1.18 O=C(O)CC1=CC=CN=C1 13998 [0,0,0,0,0,1|2,0,0]=3 84 B10R1.18 O=C(O)CC1=CC=NC=C1 14000 [0,0,0,0,0,1|2,0,0]=3 85 B10R1.18 O=C(O)CC1=CN=CN=C1 13279 [0,0,0,0,0,1|3,0,0]=4 86 B10R1.18 O=C(O)CC1=NC=CC=C1 14404 [0,0,0,0,0,1|2,0,0]=3 87 B10R1.18 O=C([O-])CC1=CC=CC=C1 20019 [0,0,0,0,0,1|2,0,0]=3 88 B10R1.18 O=C([O-])CC1=NC=CC=N1 13283 [0,0,0,0,0,1|2,0,0]=3 89 B10R1.18 O=[N+]([O-])CC1=CC=CC=C1 16807 [0,0,0,0,0,1|3,0,0]=4 90 B10R1.18 OC(=S)CC1=CC=CC=C1 10786 [0,0,0,0,0,1|2,0,1]=4 91 B10R1.66 CC(=O)OCC1=CC=CO1 9970 [0,0,0,0,0,1|0,0,0]=1 92 B10R1.66 O=C(O)CCc1cccs1 23928 [0,0,0,0,0,1|1,1,0]=3 93 B10R1.66 O=C(O)\C=C\C1=CC=CO1 6950 [0,0,0,0,0,1|1,0,1]=3 94 B10R1.66 O=C(O)\C=C\C1=CC=CS1 22898 [0,0,0,0,0,1|1,1,1]=4 95 B7R0.2 COC(=O)CC(C)=O 24182 [1,0,1,0,0,0|1,0,1]=4 96 B7R0.4 C\C=C\C=C\C(=O)[O-] 26113 [1,0,1,0,0,0|2,0,0]=4 97 B7R1.1 BrCC1=CN=CO1 16901 [2,0,0,0,0,0|2,0,0]=4 98 B7R1.1 CCC1=CC=CS1 5536 [2,0,0,0,0,0|0,1,0]=3 99 B7R1.1 CCC1=NC=CN1 15972 [2,0,0,0,0,0|2,0,0]=4 100 B7R1.1 CCN1C=CC=C1 35829 [2,0,0,0,0,0|2,0,0]=4 101 B7R1.1 COC1=CC=CO1 19998 [2,0,0,0,0,0|1,0,0]=3 102 B7R1.1 COC1=CC=CS1 12545 [2,0,0,0,0,0|1,1,0]=4 103 B7R1.1 CSC1=NC=CO1 24606 [2,0,0,0,0,0|2,0,0]=4 104 B7R1.1 ClCC1=NC=CO1 17601 [2,0,0,0,0,0|2,0,0]=4 105 B7R1.1 N#CC1=CC=CO1 6961 [2,0,0,0,0,0|1,0,1]=4 106 B7R1.1 NCC1=CC=CO1 6967 [2,0,0,0,0,0|1,0,0]=3 107 B7R1.1 NCC1=CC=CS1 22278 [2,0,0,0,0,0|1,1,0]=4 108 B7R1.1 NCC1=CC=CS1 5606 [2,0,0,0,0,0|1,1,0]=4 109 B7R1.1 NCC1=NC=CO1 15935 [2,0,0,0,0,0|2,0,0]=4 110 B7R1.1 O=CC1=CC=CN1 28928 [2,0,0,0,0,0|1,0,0]=3 111 B7R1.1 O=CC1=CC=CN1 9140 [2,0,0,0,0,0|1,0,0]=3 112 B7R1.1 O=CC1=CC=CO1 24739 [2,0,0,0,0,0|0,0,0]=2 113 B7R1.1 O=CC1=CC=CS1 5153 [2,0,0,0,0,0|0,1,0]=3 114 B7R1.1 O=CC1=CN=CS1 14219 [2,0,0,0,0,0|1,1,0]=4 115 B7R1.1 O=CC1=CNC=C1 18051 [2,0,0,0,0,0|2,0,0]=4 116 B7R1.1 O=CC1=CNC=N1 8980 [2,0,0,0,0,0|2,0,0]=4 117 B7R1.1 O=CC1=COC=C1 6948 [2,0,0,0,0,0|2,0,0]=4 118 B7R1.1 O=CC1=CSC=C1 5176 [2,0,0,0,0,0|2,0,0]=4 119 B7R1.1 O=CC1=CSC=N1 13812 [2,0,0,0,0,0|2,0,0]=4 120 B7R1.1 O=CC1=NC=CN1 8045 [2,0,0,0,0,0|2,0,0]=4 121 B7R1.1 O=CC1=NC=CO1 17600 [2,0,0,0,0,0|1,0,0]=3 122 B7R1.1 O=CC1=NC=CS1 9929 [2,0,0,0,0,0|1,1,0]=4 123 B7R1.1 O=CC1=NNC=C1 14337 [2,0,0,0,0,0|2,0,0]=4 124 B7R1.1 O=CC1=NOC=C1 14352 [2,0,0,0,0,0|2,0,0]=4 125 B7R1.1 O=C[C-]1C=CC=C1 18830 [2,0,0,0,0,0|1,0,1]=4 126 B7R1.1 OCC1=CC=CO1 19996 [2,0,0,0,0,0|0,0,1]=3 127 B7R1.1 OCC1=CC=CS1 5603 [2,0,0,0,0,0|0,1,1]=4 128 B7R1.1 OCC1=CC=NO1 24993 [2,0,0,0,0,0|1,0,1]=4 129 B7R1.1 SCC1=CC=CO1 10566 [2,0,0,0,0,0|0,1,0]=3 130 B9R0.2 C\C=C\C=C\COC(C)=O 13748 [0,1,1,0,0,0|1,0,0]=3 131 B9R0.55 O=C(O)\C=C\C=C\C(=O)O 35247 [0,1,1,0,0,0|1,0,1]=4 132 B9R1.11 CNC(C)C1=CC=CN1 16635 [1,1,0,0,0,0|2,0,0]=4 133 B9R1.11 COC(=O)C1=CC=CO1 7090 [1,1,0,0,0,0|1,0,1]=4 134 B9R1.12 O=C\C=C\C1=CC=CO1 6949 [1,1,0,0,0,0|0,0,1]=3 135 B9R1.35 CC(=O)C1=CC(C)=CS1 5214 [0,1,0,0,1,0|0,1,0]=3 136 B9R1.35 CC(=O)C1=CC(C)=NO1 24234 [0,1,0,0,1,0|1,0,0]=3 137 B9R1.35 CC(=O)C1=CC(Cl)=CS1 44706 [0,1,0,0,1,0|0,1,0]=3 138 B9R1.35 CC(=O)C1=CC=C(Br)S1 5219 [0,1,0,0,1,0|0,1,0]=3 139 B9R1.35 CC(=O)C1=CC=C(C)O1 6971 [0,1,0,0,1,0|0,0,0]=2 140 B9R1.35 CC(=O)C1=CC=C(C)S1 5212 [0,1,0,0,1,0|0,1,0]=3 141 B9R1.35 CC(=O)C1=CC=C(Cl)S1 2614 [0,1,0,0,1,0|0,1,0]=3 142 B9R1.35 CC(=O)C1=CSC(Cl)=C1 24099 [0,1,0,0,1,0|2,0,0]=4 143 B9R1.35 CC1=CC=C(C(=O)O)S1 5206 [0,1,0,0,1,0|1,1,0]=4 144 B9R1.35 CC1=CNC(C(=O)O)=C1 13375 [0,1,0,0,1,0|2,0,0]=4 145 B9R1.35 CC1=CSC(C(=O)O)=C1 9431 [0,1,0,0,1,0|1,1,0]=4 146 B9R1.35 NC(=O)C1=CC=C(Br)N1 24946 [0,1,0,0,1,0|2,0,0]=4 147 B9R1.35 O=C(Cl)C1=CC=C(Br)O1 10452 [0,1,0,0,1,0|1,0,0]=3 148 B9R1.35 O=C(Cl)C1=CC=C(Cl)S1 16132 [0,1,0,0,1,0|1,1,0]=4 149 B9R1.35 O=C(O)C1=CC(Br)=CS1 5189 [0,1,0,0,1,0|1,1,0]=4 150 B9R1.35 O=C(O)C1=CC(Br)=NO1 17690 [0,1,0,0,1,0|2,0,0]=4 151 B9R1.35 O=C(O)C1=CC(O)=NO1 24875 [0,1,0,0,1,0|2,0,0]=4 152 B9R1.35 O=C(O)C1=CC=C(Br)S1 7368 [0,1,0,0,1,0|1,1,0]=4 153 B9R1.35 O=C(O)C1=CC=C(Cl)O1 31597 [0,1,0,0,1,0|1,0,0]=3 154 B9R1.35 O=C(O)C1=CC=C(Cl)S1 7380 [0,1,0,0,1,0|1,1,0]=4 155 B9R1.41 CC(=O)C1=C(Br)C=CS1 7280 [0,1,0,0,1,0|0,1,0]=3 156 B9R1.41 CC(=O)C1=C(C)C=CS1 5186 [0,1,0,0,1,0|0,1,0]=3 157 B9R1.41 CC(=O)C1=C(C)N=CS1 33350 [0,1,0,0,1,0|1,1,0]=4 158 B9R1.41 CC(=O)C1=C(I)C=CS1 34469 [0,1,0,0,1,0|0,1,0]=3 159 B9R1.41 CC(=O)C1=C(N)C=CS1 20830 [0,1,0,0,1,0|0,1,0]=3 160 B9R1.41 CC(=O)C1=CC=CN1C 27052 [0,1,0,0,1,0|1,0,0]=3 161 B9R1.41 CC(=O)C1=CC=NN1C 22711 [0,1,0,0,1,0|2,0,0]=4 162 B9R1.41 CC(=O)C1=CNC=C1C 22818 [0,1,0,0,1,0|2,0,0]=4 163 B9R1.41 CC(=O)N1CC=CC1=O 18628 [0,1,0,0,1,0|2,0,0]=4 164 B9R1.41 CC1=C(C(=O)Cl)SC=C1 5561 [0,1,0,0,1,0|1,1,0]=4 165 B9R1.41 CC1=C(C(=O)O)SC=C1 5182 [0,1,0,0,1,0|1,1,0]=4 166 B9R1.41 CC1=C(C(N)=O)SC=C1 16135 [0,1,0,0,1,0|1,1,0]=4 167 B9R1.41 CN1C=CC=C1C(=O)O 9181 [0,1,0,0,1,0|2,0,0]=4 168 B9R1.41 NC(=O)C1=C(Br)C=CS1 16136 [0,1,0,0,1,0|1,1,0]=4 169 B9R1.41 NC(=O)C1=C(N)C=CS1 5242 [0,1,0,0,1,0|1,1,0]=4 170 B9R1.41 NC(=O)C1=CC=CN1N 22288 [0,1,0,0,1,0|2,0,0]=4 171 B9R1.41 O=C(Cl)C1=C(Cl)C=CS1 5480 [0,1,0,0,1,0|1,1,0]=4 172 B9R1.41 O=C(O)C1=C(Br)C=CS1 10096 [0,1,0,0,1,0|1,1,0]=4 173 B9R1.41 O=C(O)C1=C(Cl)C=CS1 5491 [0,1,0,0,1,0|1,1,0]=4 174 B11R1.20 CC(=O)CC1=CC=C(Br)C=C1 31604 [0,1,0,0,0,1|1,0,0]=3 175 B11R1.20 CC(=O)CC1=CC=C(Cl)C=C1 28145 [0,1,0,0,0,1|1,0,0]=3 176 B11R1.20 CC(=O)CC1=CC=C(F)C=C1 28133 [0,1,0,0,0,1|1,0,0]=3 177 B11R1.20 CC(=O)CC1=CC=C(O)C=C1 35682 [0,1,0,0,0,1|1,0,0]=3 178 B11R1.20 CC(=O)NC1=CC=C(C)C=C1 3342 [0,1,0,0,0,1|2,0,0]=4 179 B11R1.20 CC(=O)NC1=CC=C(Cl)C=C1 26262 [0,1,0,0,0,1|2,0,0]=4 180 B11R1.20 CC(=O)NC1=CC=C(Cl)N=N1 34198 [0,1,0,0,0,1|2,0,0]=4 181 B11R1.20 CC(=O)NC1=CC=C(I)C=C1 3293 [0,1,0,0,0,1|2,0,0]=4 182 B11R1.20 CC(=O)NC1=CC=C(O)C=C1 17726 [0,1,0,0,0,1|2,0,0]=4 183 B11R1.20 CC(=O)NC1=CC=C(S)C=C1 6832 [0,1,0,0,0,1|2,0,0]=4 184 B11R1.20 CC(=O)NC1=CN=C(Br)C=C1 9474 [0,1,0,0,0,1|2,0,0]=4 185 B11R1.20 CC(=O)NC1=NC=C(Br)C=C1 5546 [0,1,0,0,0,1|2,0,0]=4 186 B11R1.20 CC(=O)NC1=NC=C(Br)C=N1 34344 [0,1,0,0,0,1|2,0,0]=4 187 B11R1.20 CC(=O)NC1=NC=C(F)C=C1 1298 [0,1,0,0,0,1|2,0,0]=4 188 B11R1.20 CC(=O)NC1=NC=C(N)C=C1 1297 [0,1,0,0,0,1|2,0,0]=4 189 B11R1.20 CC(=O)OC1=CC=C(F)C=C1 3061 [0,1,0,0,0,1|2,0,0]=4 190 B11R1.20 NC(=O)CC1=CC=C(O)C=C1 17532 [0,1,0,0,0,1|2,0,0]=4 191 B11R1.20 NC1=CC=C(CC(=O)O)C=N1 25031 [0,1,0,0,0,1|2,0,0]=4 192 B11R1.20 NC1=CN=C(CC(=O)O)C=C1 32286 [0,1,0,0,0,1|2,0,0]=4 193 B11R1.20 Nc1ccc(CC(=O)O)cc1 22147 [0,1,0,0,0,1|2,0,0]=4 194 B11R1.20 O=C(Cl)CC1=CC=C(Cl)C=C1 44721 [0,1,0,0,0,1|2,0,0]=4 195 B11R1.20 O=C(Cl)CC1=CC=C(F)C=C1 17517 [0,1,0,0,0,1|2,0,0]=4 196 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 4246 [0,1,0,0,0,1|2,0,0]=4 197 B11R1.20 O=C(O)CC1=CC=C(Cl)C=C1 4250 [0,1,0,0,0,1|2,0,0]=4 198 B11R1.20 O=C(O)CC1=CC=C(Cl)N=C1 13909 [0,1,0,0,0,1|2,0,0]=4 199 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 13432 [0,1,0,0,0,1|2,0,0]=4 200 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 19614 [0,1,0,0,0,1|2,0,0]=4 201 B11R1.20 O=C(O)CC1=CC=C(I)C=C1 18835 [0,1,0,0,0,1|2,0,0]=4 202 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 22193 [0,1,0,0,0,1|2,0,0]=4 203 B11R1.20 O=C(O)CC1=CC=C(S)C=C1 34915 [0,1,0,0,0,1|2,0,0]=4 204 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 21081 [0,1,0,0,0,1|2,0,0]=4 205 B11R1.36 C[C@@H](C(=O)O)c1ccccc1 6079 [0,1,0,0,0,1|2,0,0]=4 206 B11R1.36 C[C@H](C(=O)O)c1ccccc1 6862 [0,1,0,0,0,1|2,0,0]=4 207 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 16346 [0,1,0,0,0,1|2,0,0]=4 208 B11R1.36 NC(=O)[C@@H](N)C1=CC=CC=C1 19408 [0,1,0,0,0,1|2,0,0]=4 209 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 16811 [0,1,0,0,0,1|2,0,0]=4 210 B11R1.36 N[C@@H](C(=O)O)c1ccccc1 11005 [0,1,0,0,0,1|2,0,0]=4 211 B11R1.36 N[C@H](C(=O)O)c1ccccc1 23858 [0,1,0,0,0,1|2,0,0]=4 212 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 6066 [0,1,0,0,0,1|2,0,0]=4 213 B11R1.36 O=C(O)[C@@H](O)c1ccccc1 6067 [0,1,0,0,0,1|2,0,0]=4 214 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 21083 [0,1,0,0,0,1|2,0,0]=4 215 B11R1.40 CCC(=O)NC1=CC=CC=C1 3338 [0,1,0,0,0,1|2,0,0]=4 216 B11R1.40 CNC(=O)OC1=CC=CC=C1 35857 [0,1,0,0,0,1|2,0,0]=4 217 B11R1.40 COC(=O)CC1=CC=CN=C1 13725 [0,1,0,0,0,1|1,0,0]=3 218 B11R1.40 COC(=O)CC1=CC=NC=C1 18851 [0,1,0,0,0,1|1,0,0]=3 219 B11R1.40 COC(=O)CC1=NC=CC=C1 17624 [0,1,0,0,0,1|1,0,0]=3 220 B11R1.40 COC(=O)CC1=NC=CN=C1 27419 [0,1,0,0,0,1|1,0,0]=3 221 B11R1.40 O=C(CF)NC1=CC=CC=C1 3369 [0,1,0,0,0,1|2,0,0]=4 222 B11R1.86 CC(=O)CC1=C(Br)C=CC=C1 23388 [0,1,0,0,0,1|1,0,0]=3 223 B11R1.86 CC(=O)CC1=C(Cl)C=CC=C1 28140 [0,1,0,0,0,1|1,0,0]=3 224 B11R1.86 CC(=O)CC1=C(F)C=CC=C1 28149 [0,1,0,0,0,1|1,0,0]=3 225 B11R1.86 CC(=O)NC1=C(N)C=NC=C1 9601 [0,1,0,0,0,1|2,0,0]=4 226 B11R1.86 CC(=O)NC1=C(O)C=CC=C1 3830 [0,1,0,0,0,1|2,0,0]=4 227 B11R1.86 CC(=O)NC1=C(O)C=CN=C1 26792 [0,1,0,0,0,1|2,0,0]=4 228 B11R1.86 CC(=O)NC1=C(O)C=NC=C1 26790 [0,1,0,0,0,1|2,0,0]=4 229 B11R1.86 CC(=O)NC1=NC=CC=C1Br 25022 [0,1,0,0,0,1|2,0,0]=4 230 B11R1.86 CC(=O)NC1=NC=CC=C1O 26791 [0,1,0,0,0,1|2,0,0]=4 231 B11R1.86 CC(=O)OC1=C(Br)C=CC=C1 3055 [0,1,0,0,0,1|2,0,0]=4 232 B11R1.86 CC(=O)OC1=C(F)C=CC=C1 3059 [0,1,0,0,0,1|2,0,0]=4 233 B11R1.86 CC(=O)OC1=C(I)C=CC=C1 3062 [0,1,0,0,0,1|2,0,0]=4 234 B11R1.86 CC1=C(CC(=O)O)C=CC=C1 20124 [0,1,0,0,0,1|2,0,0]=4 235 B11R1.86 CC1=C(CC(N)=O)C=CC=C1 17571 [0,1,0,0,0,1|2,0,0]=4 236 B11R1.86 O=C(O)CC1=C(Br)C=CC=C1 7214 [0,1,0,0,0,1|2,0,0]=4 237 B11R1.86 O=C(O)CC1=C(Cl)C=CC=C1 16509 [0,1,0,0,0,1|2,0,0]=4 238 B11R1.86 O=C(O)CC1=C(F)C=CC=C1 4164 [0,1,0,0,0,1|2,0,0]=4 239 B11R1.86 O=C(O)CC1=C(I)C=CC=C1 2552 [0,1,0,0,0,1|2,0,0]=4 240 B11R1.86 O=C(O)CC1=C(O)C=CC=C1 20030 [0,1,0,0,0,1|2,0,0]=4 241 B11R1.157 CC(=O)CC1=CC(Br)=CC=C1 25423 [0,1,0,0,0,1|1,0,0]=3 242 B11R1.157 CC(=O)CC1=CC(Cl)=CC=C1 19805 [0,1,0,0,0,1|1,0,0]=3 243 B11R1.157 CC(=O)CC1=CC(F)=CC=C1 35854 [0,1,0,0,0,1|1,0,0]=3 244 B11R1.157 CC(=O)NC1=CC(Br)=CN=C1 20022 [0,1,0,0,0,1|2,0,0]=4 245 B11R1.157 CC(=O)NC1=CC(C)=CC=C1 3340 [0,1,0,0,0,1|2,0,0]=4 246 B11R1.157 CC(=O)NC1=CC(C)=NC=C1 26051 [0,1,0,0,0,1|2,0,0]=4 247 B11R1.157 CC(=O)NC1=CC(Cl)=NC=C1 12418 [0,1,0,0,0,1|2,0,0]=4 248 B11R1.157 CC(=O)NC1=CC(I)=CC=C1 3291 [0,1,0,0,0,1|2,0,0]=4 249 B11R1.157 CC(=O)NC1=CC=CC(O)=C1 3835 [0,1,0,0,0,1|2,0,0]=4 250 B11R1.157 CC(=O)NC1=NC(=O)NC=C1 14141 [0,1,0,0,0,1|2,0,0]=4 251 B11R1.157 CC(=O)NC1=NC(Br)=CC=C1 25034 [0,1,0,0,0,1|2,0,0]=4 252 B11R1.157 CC(=O)NC1=NC(C)=CC=C1 25032 [0,1,0,0,0,1|2,0,0]=4 253 B11R1.157 CC(=O)NC1=NC=CC(C)=C1 16556 [0,1,0,0,0,1|2,0,0]=4 254 B11R1.157 CC(=O)OC1=CC(Cl)=CC=C1 3057 [0,1,0,0,0,1|2,0,0]=4 255 B11R1.157 CC(=O)OC1=CC(F)=CC=C1 3060 [0,1,0,0,0,1|2,0,0]=4 256 B11R1.157 CC1=CC=CC(CC(=O)O)=C1 28872 [0,1,0,0,0,1|2,0,0]=4 257 B11R1.157 NC1=CC=CC(CC(=O)O)=C1 1961 [0,1,0,0,0,1|2,0,0]=4 258 B11R1.157 O=C(O)CC1=CC(Br)=CC=C1 4244 [0,1,0,0,0,1|2,0,0]=4 259 B11R1.157 O=C(O)CC1=CC(Cl)=CC=C1 16510 [0,1,0,0,0,1|2,0,0]=4 260 B11R1.157 O=C(O)CC1=CC(F)=CC=C1 4167 [0,1,0,0,0,1|2,0,0]=4 261 B11R1.157 O=C(O)CC1=CC(I)=CC=C1 4195 [0,1,0,0,0,1|2,0,0]=4 262 B11R1.157 O=C(O)CC1=CC(O)=CC=C1 21773 [0,1,0,0,0,1|2,0,0]=4 263 B11R1.25 COC(=O)CCC1=CC=CS1 16785 [0,1,0,0,0,1|0,1,0]=3 264 B11R1.35 C[C@@H](NC1=CC=CO1)C(=O)O 29837 [0,1,0,0,0,1|1,0,0]=3 265 B11R1.35 C[C@H](NC1=CC=CO1)C(=O)O 29836 [0,1,0,0,0,1|1,0,0]=3 266 B11R1.35 NC(CC1=CC=CS1)C(=O)O 34969 [0,1,0,0,0,1|1,1,0]=4 267 B11R1.35 N[C@@H](CC1=CC=CS1)C(=O)O 18715 [0,1,0,0,0,1|1,1,0]=4 268 B11R1.35 N[C@H](CC1=CC=CS1)C(=O)O 18712 [0,1,0,0,0,1|1,1,0]=4 269 B11R1.30 CCOC(=O)CC1=CC=CO1 17309 [0,2,0,0,0,0|0,0,0]=2 270 B11R1.30 CCOC(=O)CC1=CC=CS1 7414 [0,2,0,0,0,0|0,1,0]=3 271 B11R1.228 COC(=O)CC1=CC=CN1C 20390 [0,2,0,0,0,0|1,0,0]=3 272 B9R1.6 CC(=O)C1=CC=CN=C1 1301 [0,0,1,1,0,0|1,0,1]=4 273 B9R1.6 CC(=O)C1=NC=CC=C1 13363 [0,0,1,1,0,0|1,0,1]=4 274 B11R2.10 CC1=CC2=CC=CC=C2C1 5381 [0,0,0,1,0,1|2,0,0]=4 275 B11R2.10 O=C1CC2=C(C=CC=C2)O1 22170 [0,0,0,1,0,1|2,0,0]=4 276 B11R2.10 O=C1CC2=CC=CC=C2C1 9653 [0,0,0,1,0,1|1,0,0]=3 277 B11R2.10 O=C1CC2=CC=CC=C2N1 7177 [0,0,0,1,0,1|2,0,0]=4 278 B11R2.10 O=C1CC2=CC=CN=C2N1 35309 [0,0,0,1,0,1|2,0,0]=4 279 B11R2.10 O=C1CC2=CC=NC=C2N1 17713 [0,0,0,1,0,1|2,0,0]=4 280 B11R2.10 O=C1CN2C=CC=CC2=N1 23698 [0,0,0,1,0,1|2,0,0]=4 281 B11R2.10 O=C1CN2C=CC=CC2=N1 23703 [0,0,0,1,0,1|2,0,0]=4 282 B11R2.36 CC1=CC2=C(C=C1)OC=C2 28016 [0,0,0,1,0,1|1,0,1]=4 283 B9R1.8 C=CCC1=CC=CC=C1 29358 [1,0,0,0,0,1|1,0,1]=4 284 B9R1.8 CCCC1=CC=CC=C1 10852 [1,0,0,0,0,1|1,0,1]=4 285 B9R1.8 CCCC1=CC=NC=C1 15021 [1,0,0,0,0,1|1,0,1]=4 286 B9R1.8 CNCC1=CC=CC=C1 19910 [1,0,0,0,0,1|2,0,0]=4 287 B9R1.8 CNCC1=CC=CC=C1 25218 [1,0,0,0,0,1|2,0,0]=4 288 B9R1.8 CNCC1=CC=CC=C1 5801 [1,0,0,0,0,1|2,0,0]=4 289 B9R1.8 COCC1=CC=CC=C1 15300 [1,0,0,0,0,1|2,0,0]=4 290 B11R1.91 CC(=O)COC1=CC=CC=C1 20265 [0,0,0,0,0,2|1,0,0]=3 291 B11R1.91 CC(=O)NCC1=CC=CC=C1 19722 [0,0,0,0,0,2|1,0,0]=3 292 B11R1.91 CC(=O)NCC1=CC=CN=C1 13219 [0,0,0,0,0,2|1,0,0]=3 293 B11R1.91 CC(=O)NNC1=CC=CC=C1 7620 [0,0,0,0,0,2|2,0,0]=4 294 B11R1.91 CC(=O)OCC1=CC=NC=C1 1302 [0,0,0,0,0,2|1,0,0]=3 295 B11R1.91 NC(=O)COC1=CC=CC=C1 12494 [0,0,0,0,0,2|2,0,0]=4 296 B11R1.91 NC(=O)OCC1=CC=CC=C1 12421 [0,0,0,0,0,2|2,0,0]=4 297 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 9173 [0,0,0,0,0,2|2,0,0]=4 298 B11R1.91 O=C(Cl)COC1=CC=CC=C1 30326 [0,0,0,0,0,2|2,0,0]=4 299 B11R1.91 O=C(Cl)OCC1=CC=CC=C1 12079 [0,0,0,0,0,2|2,0,0]=4 300 B11R1.91 O=C(O)CCC1=CC=CC=C1 8185 [0,0,0,0,0,2|2,0,0]=4 301 B11R1.91 O=C(O)CCC1=CC=CN=C1 8701 [0,0,0,0,0,2|2,0,0]=4 302 B11R1.91 O=C(O)COC1=CC=NC=C1 34778 [0,0,0,0,0,2|2,0,0]=4 303 B11R1.91 O=C(O)COC1=NC=CC=C1 18115 [0,0,0,0,0,2|2,0,0]=4 304 B11R1.172 O=C(O)CCCC1=CC=CS1 34947 [0,0,0,0,0,2|1,1,0]=4