0 B10R1.66 CC(=O)OCC1=CC=CO1 F14839 [0,0,0,0,0,0|1,0,1]=2 1 B10R1.66 CC(=O)\C=C\C1=CC=CO1 D90647 [0,0,0,0,0,0|0,0,0]=0 2 B10R1.66 CC(=O)\C=C\C1=CC=CS1 F52717 [0,0,0,0,0,0|0,1,0]=1 3 B10R1.66 CC(C)SCC1=CC=CO1 D90686 [0,0,0,0,0,0|2,0,2]=4 4 B10R1.66 NC(=S)NCC1=CC=CO1 D85860 [0,0,0,0,0,0|2,1,1]=4 5 B10R1.66 O=C(O)CCC1=CC=CO1 68597 [0,0,0,0,0,0|1,0,2]=3 6 B10R1.66 O=C(O)\C=C/C1=CC=CS1 A10226 [0,0,0,0,0,0|1,1,0]=2 7 B10R1.66 O=C(O)\C=C\C1=CC=CO1 75613 [0,0,0,0,0,0|1,0,0]=1 8 B10R1.66 O=C(O)\C=C\C1=CC=CO1 P20225 [0,0,0,0,0,0|1,0,0]=1 9 B10R1.66 O=C(O)\C=C\C1=CC=CS1 33961 [0,0,0,0,0,0|1,1,0]=2 10 B10R1.66 O=C(O)\C=C\C1=CN=CN1 A11380 [0,0,0,0,0,0|3,0,0]=3 11 B10R1.66 O=C(O)\C=C\C1=CN=CN1 E72446 [0,0,0,0,0,0|3,0,0]=3 12 B10R1.66 O=C(O)\C=C\C1=COC=C1 32962 [0,0,0,0,0,0|3,0,0]=3 13 B10R1.66 O=C(O)\C=C\C1=CSC=C1 W11773 [0,0,0,0,0,0|3,0,0]=3 14 B10R1.66 O=C(O)\C=C\C1=NC=CS1 F31380 [0,0,0,0,0,0|2,1,0]=3 15 B10R1.66 O=[N+]([O-])\C=C\C1=CC=CS1 52679 [0,0,0,0,0,0|2,1,0]=3 16 B9R1.12 CCCCC1=CC=CO1 D88935 [1,0,0,0,0,0|0,0,3]=4 17 B9R1.12 CCOCC1=CC=CO1 O10522 [1,0,0,0,0,0|1,0,2]=4 18 B9R1.12 CSSCC1=CC=CO1 D90679 [1,0,0,0,0,0|2,0,1]=4 19 B9R1.12 O=C\C=C\C1=CC=CO1 O10885 [1,0,0,0,0,0|0,0,0]=1 20 B11R1.25 CCC(=O)SCC1=CC=CO1 D90683 [0,1,0,0,0,0|1,0,1]=3 21 B11R1.25 COC(=O)\C=C\C1=CC=CS1 W12254 [0,1,0,0,0,0|0,1,0]=2 22 B11R1.35 N[C@@H](CC1=CC=CO1)C(=O)O 78197 [0,1,0,0,0,0|1,0,2]=4 23 B11R1.35 N[C@@H](CC1=CC=CO1)C(=O)O A50409 [0,1,0,0,0,0|1,0,2]=4 24 B11R1.75 CC1=CC=C(\C=C\C(=O)O)S1 D72574 [0,1,0,0,0,0|1,1,0]=3 25 B11R1.75 CC1=CC=C(\C=C\C(=O)O)S1 W17624 [0,1,0,0,0,0|1,1,0]=3 26 B11R1.75 O=C(O)\C=C\C1=CC=C(Br)S1 F53006 [0,1,0,0,0,0|1,1,0]=3 27 B11R1.90 CC1=C(\C=C\[N+](=O)[O-])SC=C1 D81592 [0,1,0,0,0,0|2,1,0]=4 28 B9R0.2 CC=CC=CCOC(C)=O D94527 [0,0,1,0,0,0|2,0,1]=4 29 B11R2.36 BrC1=CC2=C(C=C1)CC=C2 F19682 [0,0,0,1,0,0|2,0,1]=4 30 B11R2.36 BrC1=CC2=C(C=C1)NC=C2 21802 [0,0,0,1,0,0|2,0,1]=4 31 B11R2.36 BrC1=CC2=C(C=C1)OC=C2 56767 [0,0,0,1,0,0|1,0,1]=3 32 B11R2.36 BrC1=CC2=C(C=C1)OC=N2 76251 [0,0,0,1,0,0|2,0,1]=4 33 B11R2.36 BrC1=CC2=C(C=C1)SC=C2 54606 [0,0,0,1,0,0|1,1,1]=4 34 B11R2.36 BrC1=NC2=C(C=C1)NC=C2 35968 [0,0,0,1,0,0|3,0,0]=4 35 B11R2.36 CC1=CC2=C(C=C1)N=CO2 29528 [0,0,0,1,0,0|3,0,0]=4 36 B11R2.36 CC1=CC2=C(C=C1)NC=C2 29340 [0,0,0,1,0,0|2,0,0]=3 37 B11R2.36 CC1=CC2=C(C=C1)NC=N2 H10512 [0,0,0,1,0,0|3,0,0]=4 38 B11R2.36 CC1=CC2=C(C=C1)OC=N2 F21481 [0,0,0,1,0,0|2,0,0]=3 39 B11R2.36 CC1=CC2=C(C=C1)OCO2 C11361 [0,0,0,1,0,0|2,0,1]=4 40 B11R2.36 CC1=CC2=C(C=CN2)C=C1 26134 [0,0,0,1,0,0|3,0,0]=4 41 B11R2.36 CC1=CN2C=CN=C2C=C1 F13928 [0,0,0,1,0,0|3,0,0]=4 42 B11R2.36 CC1=NC2=C(C=CN2)C=C1 68995 [0,0,0,1,0,0|3,0,0]=4 43 B11R2.36 ClC1=CC2=C(C=C1)NC=C2 28165 [0,0,0,1,0,0|2,0,1]=4 44 B11R2.36 ClC1=CC2=C(C=C1)OC=N2 33281 [0,0,0,1,0,0|2,0,1]=4 45 B11R2.36 ClC1=CC2=C(C=C1)SC=C2 58062 [0,0,0,1,0,0|1,1,1]=4 46 B11R2.36 ClC1=NC2=C(C=C1)NC=C2 50619 [0,0,0,1,0,0|3,0,0]=4 47 B11R2.36 FC1=CC2=C(C=C1)NC=C2 28495 [0,0,0,1,0,0|2,0,1]=4 48 B11R2.36 FC1=CC2=C(C=C1)OC=N2 F15009 [0,0,0,1,0,0|2,0,1]=4 49 B11R2.36 IC1=CC2=C(C=C1)NC=C2 62746 [0,0,0,1,0,0|2,0,1]=4 50 B11R2.36 NC1=CC2=C(C=C1)NC=C2 83024 [0,0,0,1,0,0|2,0,1]=4 51 B11R2.36 NC1=CC2=C(C=C1)OC=C2 78447 [0,0,0,1,0,0|1,0,1]=3 52 B11R2.36 NC1=CC2=C(C=C1)OC=N2 51536 [0,0,0,1,0,0|2,0,1]=4 53 B11R2.36 NC1=CC2=C(C=C1)ON=C2 O11688 [0,0,0,1,0,0|2,0,1]=4 54 B11R2.36 NC1=CC2=C(C=C1)SC=C2 BL000834 [0,0,0,1,0,0|1,1,1]=4 55 B11R2.36 NC1=NC2=C(C=C1)NC=C2 26257 [0,0,0,1,0,0|3,0,0]=4 56 B11R2.36 O=C1C=CN2NC=CC2=N1 O12056 [0,0,0,1,0,0|3,0,0]=4 57 B11R2.36 OC1=CC2=C(C=C1)NC=C2 29202 [0,0,0,1,0,0|1,0,2]=4 58 B11R2.36 OC1=CC2=C(C=C1)OC=C2 24377 [0,0,0,1,0,0|0,0,2]=3 59 B9R1.13 CC(=O)NC1=CSC=C1 30787 [0,0,0,0,1,0|3,0,0]=4 60 B9R1.13 CC(=O)NC1=NC=CS1 AC7947 [0,0,0,0,1,0|2,1,0]=4 61 B9R1.13 CC(=O)NC1=NNC=C1 29160 [0,0,0,0,1,0|3,0,0]=4 62 B9R1.13 C[C@H](O)CC1=CC=CO1 31846 [0,0,0,0,1,0|0,0,3]=4 63 B9R1.13 NC(=O)CC1=CC=CS1 D85917 [0,0,0,0,1,0|1,1,1]=4 64 B9R1.13 O=C(Cl)CC1=CC=CS1 D78176 [0,0,0,0,1,0|1,1,1]=4 65 B9R1.13 O=C(O)CC1=CC=CS1 P10011 [0,0,0,0,1,0|1,1,1]=4 66 B11R1.91 CC(=O)CCC1=CC=CC=C1 P17497 [0,0,0,0,0,1|1,0,2]=4 67 B11R1.91 CC(=O)COC1=CC=CC=C1 34157 [0,0,0,0,0,1|2,0,1]=4 68 B11R1.91 CC(=O)NCC1=CC=CC=C1 D70359 [0,0,0,0,0,1|2,0,1]=4 69 B11R1.91 CC(=O)NNC1=CC=CC=C1 F11205 [0,0,0,0,0,1|3,0,0]=4 70 B11R1.91 CC(=O)OCC1=NC=CC=C1 C13980 [0,0,0,0,0,1|2,0,1]=4 71 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 D70186 [0,0,0,0,0,1|1,0,0]=2 72 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 D70528 [0,0,0,0,0,1|1,0,0]=2 73 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 29382 [0,0,0,0,0,1|2,0,0]=3 74 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 AC7815 [0,0,0,0,0,1|2,0,0]=3 75 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 D70605 [0,0,0,0,0,1|2,0,0]=3 76 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 A10227 [0,0,0,0,0,1|2,0,0]=3 77 B11R1.91 O=C(O)\C=C\C1=CN=CC=C1 65474 [0,0,0,0,0,1|2,0,0]=3 78 B11R1.91 O=C(O)\C=C\C1=NC=CC=C1 28919 [0,0,0,0,0,1|2,0,0]=3 79 B11R1.91 O=C(O)\C=C\C1=NC=CC=C1 C90173 [0,0,0,0,0,1|2,0,0]=3 80 B11R1.91 O=C([O-])C=CC1=CC=CC=C1 D82494 [0,0,0,0,0,1|2,0,0]=3 81 B11R1.91 O=[N+]([O-])\C=C\C1=CC=CC=C1 77768 [0,0,0,0,0,1|3,0,0]=4 82 B11R1.91 O=[N+]([O-])\C=C\C1=CC=CC=C1 D72576 [0,0,0,0,0,1|3,0,0]=4 83 B11R1.91 O=[N+]([O-])\C=C\C1=CN=CC=C1 A10131 [0,0,0,0,0,1|3,0,0]=4 84 B8R1.8 CNCC1=CC=CO1 74988 [2,0,0,0,0,0|1,0,1]=4 85 B8R1.8 CSCC1=CC=CO1 D90650 [2,0,0,0,0,0|1,0,1]=4 86 B10R1.11 CCOC(=O)C1=CC=CO1 H11621 [1,1,0,0,0,0|1,0,1]=4 87 B10R1.16 CC1=CC=C(CCC=O)O1 D82231 [1,1,0,0,0,0|0,0,2]=4 88 B10R1.16 CC1=CC=C(\C=C\C=O)O1 D70700 [1,1,0,0,0,0|0,0,0]=2 89 B10R1.23 CN(O)C(=O)C1=CC=CO1 T70076 [0,1,0,0,1,0|1,0,1]=4 90 B10R1.23 O=C(O)C(=O)C1=CC=CS1 C80077 [0,1,0,0,1,0|1,1,0]=4 91 B12R1.21 CC(=O)\C=C\C1=CC=C(O)C=C1 C11421 [0,1,0,0,0,1|1,0,0]=3 92 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 AC7520 [0,1,0,0,0,1|2,0,0]=4 93 B12R1.21 NC1=CC=C(\C=C\C(=O)O)C=C1 CK2534 [0,1,0,0,0,1|2,0,0]=4 94 B12R1.21 NC1=NC=C(\C=C\C(=O)O)C=C1 29303 [0,1,0,0,0,1|2,0,0]=4 95 B12R1.21 O=C(O)\C=C\C1=CC=C(Br)C=C1 AB6442 [0,1,0,0,0,1|2,0,0]=4 96 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)C=C1 S12285 [0,1,0,0,0,1|2,0,0]=4 97 B12R1.21 O=C(O)\C=C\C1=CC=C(F)C=C1 78053 [0,1,0,0,0,1|2,0,0]=4 98 B12R1.21 O=C(O)\C=C\C1=CC=C(F)C=C1 AC7879 [0,1,0,0,0,1|2,0,0]=4 99 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 AC7957 [0,1,0,0,0,1|2,0,0]=4 100 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 CK2547 [0,1,0,0,0,1|2,0,0]=4 101 B12R1.27 COC(=O)\C=C\C1=CC=CC=C1 P16737 [0,1,0,0,0,1|1,0,0]=3 102 B12R1.27 COC(=O)\C=C\C1=CC=NC=C1 AT14565 [0,1,0,0,0,1|1,0,0]=3 103 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 77874 [0,1,0,0,0,1|1,0,1]=4 104 B12R1.107 CC(=O)CC(=O)C1=CC=NC=C1 W15978 [0,1,0,0,0,1|1,0,1]=4 105 B12R1.125 CC1=C(\C=C\C(=O)O)C=CC=C1 73977 [0,1,0,0,0,1|2,0,0]=4 106 B12R1.125 O=C(O)\C=C\C1=C(Br)C=CC=C1 28628 [0,1,0,0,0,1|2,0,0]=4 107 B12R1.125 O=C(O)\C=C\C1=C(Br)C=CC=C1 D73309 [0,1,0,0,0,1|2,0,0]=4 108 B12R1.125 O=C(O)\C=C\C1=C(Cl)C=CC=C1 AC7821 [0,1,0,0,0,1|2,0,0]=4 109 B12R1.125 O=C(O)\C=C\C1=C(F)C=CC=C1 AC7832 [0,1,0,0,0,1|2,0,0]=4 110 B12R1.125 O=C(O)\C=C\C1=C(O)C=CC=C1 42496 [0,1,0,0,0,1|2,0,0]=4 111 B12R1.226 CC1=CC=CC(\C=C\C(=O)O)=C1 66558 [0,1,0,0,0,1|2,0,0]=4 112 B12R1.226 CC1=CC=CC(\C=C\C(=O)O)=C1 AC7519 [0,1,0,0,0,1|2,0,0]=4 113 B12R1.226 O=C(O)\C=C\C1=CC(O)=CC=C1 F15419 [0,1,0,0,0,1|2,0,0]=4 114 B12R1.226 O=C(O)\C=C\C1=CC=CC(Br)=C1 AB6441 [0,1,0,0,0,1|2,0,0]=4 115 B12R1.226 O=C(O)\C=C\C1=CC=CC(Cl)=C1 75802 [0,1,0,0,0,1|2,0,0]=4 116 B12R1.226 O=C(O)\C=C\C1=CC=CC(Cl)=C1 AC7822 [0,1,0,0,0,1|2,0,0]=4 117 B12R1.226 O=C(O)\C=C\C1=CC=CC(F)=C1 CK2538 [0,1,0,0,0,1|2,0,0]=4 118 B12R1.226 O=C(O)\C=C\C1=CC=CC(F)=C1 P19618 [0,1,0,0,0,1|2,0,0]=4 119 B12R1.264 C=C(C)C(=O)OCC1=CC=CO1 H10790 [0,1,0,0,0,1|1,0,1]=4 120 B12R1.15 COC(=O)CC(=O)C1=CC=CO1 30782 [0,2,0,0,0,0|0,0,1]=3 121 B12R1.51 CCOC(=O)\C=C\C1=CSC=N1 W11644 [0,2,0,0,0,0|2,0,0]=4 122 B12R1.59 CC(=O)OCC1=CC=C(C=O)O1 67746 [0,2,0,0,0,0|1,0,1]=4 123 B10R1.18 CC(=O)CC1=NC=CC=C1 65544 [0,0,1,1,0,0|1,0,1]=4 124 B10R1.18 CC(=O)NC1=CN=CC=C1 D76087 [0,0,1,1,0,0|2,0,0]=4 125 B10R1.18 CC(=O)NC1=NC=CC=C1 H10380 [0,0,1,1,0,0|2,0,0]=4 126 B10R1.18 CC(=O)OC1=CC=CC=C1 D88203 [0,0,1,1,0,0|2,0,0]=4 127 B10R1.18 CC(=O)OC1=CN=CC=C1 D88394 [0,0,1,1,0,0|2,0,0]=4 128 B10R1.18 CC(=O)SC1=CC=CC=C1 H12050 [0,0,1,1,0,0|2,0,0]=4 129 B10R1.18 CC(C)=CC1=CC=CC=C1 W16227 [0,0,1,1,0,0|2,0,0]=4 130 B10R1.61 C=C(C)C1=C(N)C=CC=C1 I11393 [0,0,1,1,0,0|2,0,0]=4 131 B10R1.61 CC(=O)C1=C(Br)C=CC=C1 34094 [0,0,1,1,0,0|1,0,0]=3 132 B10R1.61 CC(=O)C1=C(Br)C=NC=C1 37493 [0,0,1,1,0,0|2,0,0]=4 133 B10R1.61 CC(=O)C1=C(C)C=CC=C1 AC7820 [0,0,1,1,0,0|1,0,0]=3 134 B10R1.61 CC(=O)C1=C(Cl)C=CC=C1 P20606 [0,0,1,1,0,0|1,0,0]=3 135 B10R1.61 CC(=O)C1=C(F)C=CC=C1 44593 [0,0,1,1,0,0|1,0,0]=3 136 B10R1.61 CC(=O)C1=C(F)C=CC=N1 P10386 [0,0,1,1,0,0|2,0,0]=4 137 B10R1.61 CC(=O)C1=C(F)C=NC=C1 26874 [0,0,1,1,0,0|2,0,0]=4 138 B10R1.61 CC(=O)C1=C(I)C=CC=C1 34151 [0,0,1,1,0,0|1,0,0]=3 139 B10R1.61 CC(=O)C1=C(N)C=CC=C1 36683 [0,0,1,1,0,0|1,0,0]=3 140 B10R1.61 CC(=O)C1=C(N)C=CC=C1 D83209 [0,0,1,1,0,0|1,0,0]=3 141 B10R1.61 CC(=O)C1=C(N)C=NC=C1 50374 [0,0,1,1,0,0|2,0,0]=4 142 B10R1.61 CC(=O)C1=C(N)N=CC=C1 F13139 [0,0,1,1,0,0|2,0,0]=4 143 B10R1.61 CC(=O)C1=C(O)C=CC=C1 D70588 [0,0,1,1,0,0|0,0,0]=2 144 B10R1.61 CC(=O)C1=CC=CN=C1Br 20200 [0,0,1,1,0,0|2,0,0]=4 145 B10R1.61 CC(=O)C1=CC=CN=C1Cl 59616 [0,0,1,1,0,0|2,0,0]=4 146 B10R1.61 CC(=O)C1=NC=CC=C1C 29931 [0,0,1,1,0,0|2,0,0]=4 147 B10R1.61 CC1=C(C(=O)Cl)C=CC=C1 40013 [0,0,1,1,0,0|2,0,0]=4 148 B10R1.61 CC1=C(C(=O)O)C=CC=C1 D77873 [0,0,1,1,0,0|2,0,0]=4 149 B10R1.61 CC1=C(C(N)=O)C=CC=C1 D97423 [0,0,1,1,0,0|2,0,0]=4 150 B10R1.61 CN(C)C1=C(O)C=CC=C1 26237 [0,0,1,1,0,0|2,0,0]=4 151 B10R1.61 C[C@H](N)C1=C(O)C=CC=C1 51083 [0,0,1,1,0,0|1,0,1]=4 152 B10R1.61 C[C@H](N)C1=C(O)C=CC=C1 51084 [0,0,1,1,0,0|1,0,1]=4 153 B10R1.61 C[S@](=O)C1=C(Br)C=CC=C1 T71275 [0,0,1,1,0,0|2,0,0]=4 154 B10R1.61 NC(=O)C1=C(Br)C=CC=C1 F11343 [0,0,1,1,0,0|2,0,0]=4 155 B10R1.61 NC(=O)C1=C(Cl)C=CC=C1 78527 [0,0,1,1,0,0|2,0,0]=4 156 B10R1.61 NC(=O)C1=C(F)C=CC=C1 75548 [0,0,1,1,0,0|2,0,0]=4 157 B10R1.61 NC(=O)C1=C(I)C=CC=C1 TD1375 [0,0,1,1,0,0|2,0,0]=4 158 B10R1.61 NC(=O)C1=C(N)C=CC=C1 D71115 [0,0,1,1,0,0|2,0,0]=4 159 B10R1.61 O=C(Cl)C1=C(F)C=CC=C1 D70825 [0,0,1,1,0,0|2,0,0]=4 160 B10R1.61 O=C(Cl)C1=C(I)C=CC=C1 F11409 [0,0,1,1,0,0|2,0,0]=4 161 B10R1.61 O=C(O)C1=C(Br)C=CC=C1 AB10300 [0,0,1,1,0,0|2,0,0]=4 162 B10R1.61 O=C(O)C1=C(Cl)C=CC=C1 D77315 [0,0,1,1,0,0|2,0,0]=4 163 B10R1.61 O=C(O)C1=C(F)C=CC=C1 D70123 [0,0,1,1,0,0|2,0,0]=4 164 B10R1.61 O=C(O)C1=C(I)C=CC=C1 36681 [0,0,1,1,0,0|2,0,0]=4 165 B10R1.61 O=C(O)C1=C(O)C=CC=C1 AC1613 [0,0,1,1,0,0|1,0,0]=3 166 B10R1.61 O=C(O)C1=C(O)C=CC=C1 D70842 [0,0,1,1,0,0|1,0,0]=3 167 B10R1.61 O=C(O)C1=C(O)C=CC=C1 D81871 [0,0,1,1,0,0|1,0,0]=3 168 B10R1.61 O=C(O)C1=C(O)C=CN=C1 BL001825 [0,0,1,1,0,0|2,0,0]=4 169 B10R1.61 O=C(O)C1=C(O)C=NC=C1 CL0149 [0,0,1,1,0,0|2,0,0]=4 170 B10R1.61 O=C(O)C1=C(S)C=CC=C1 AT20777 [0,0,1,1,0,0|1,1,0]=4 171 B10R1.61 O=C(O)C1=NC=CC=C1O 33773 [0,0,1,1,0,0|2,0,0]=4 172 B10R1.61 O=C([O-])C1=C(F)C=CC=C1 CK1072 [0,0,1,1,0,0|2,0,0]=4 173 B10R1.61 O=C([O-])C1=C(O)C=CC=C1 A11496 [0,0,1,1,0,0|1,0,0]=3 174 B10R1.61 O=C([O-])C1=C(O)C=CC=C1 D83111 [0,0,1,1,0,0|1,0,0]=3 175 B10R1.61 O=C([O-])C1=C(O)C=CC=C1 D95369 [0,0,1,1,0,0|1,0,0]=3 176 B10R1.61 O=C([O-])C1=C(S)C=CC=C1 D92321 [0,0,1,1,0,0|1,1,0]=4 177 B10R1.30 C=CC1=C(C)C=CC(C)=C1 D97352 [0,0,1,1,0,0|2,0,0]=4 178 B10R1.30 CC1=CC(C=O)=C(O)C=C1 CL8984 [0,0,1,1,0,0|2,0,0]=4 179 B10R1.59 CC(=O)C1=C(C)OC(C)=C1 AT17488 [0,0,1,1,0,0|0,0,2]=4 180 B10R1.113 CC(=O)C1=CC(Br)=CN=C1 71412 [0,0,1,1,0,0|2,0,0]=4 181 B10R1.113 CC(=O)C1=CC(C)=CC=C1 28342 [0,0,1,1,0,0|1,0,0]=3 182 B10R1.113 CC(=O)C1=CC(Cl)=NC=C1 80227 [0,0,1,1,0,0|2,0,0]=4 183 B10R1.113 CC(=O)C1=CC(N)=CC=C1 D70852 [0,0,1,1,0,0|1,0,0]=3 184 B10R1.113 CC(=O)C1=CC(O)=CC=C1 44505 [0,0,1,1,0,0|0,0,0]=2 185 B10R1.113 CC(=O)C1=CC=CC(Br)=C1 D70815 [0,0,1,1,0,0|1,0,0]=3 186 B10R1.113 CC(=O)C1=CC=CC(Br)=N1 34635 [0,0,1,1,0,0|2,0,0]=4 187 B10R1.113 CC(=O)C1=CC=CC(Cl)=N1 AB8941 [0,0,1,1,0,0|2,0,0]=4 188 B10R1.113 CC(=O)C1=CC=CC(F)=C1 34142 [0,0,1,1,0,0|1,0,0]=3 189 B10R1.113 CC(=O)C1=CC=CC(I)=C1 CK2572 [0,0,1,1,0,0|1,0,0]=3 190 B10R1.113 CC(=O)C1=CN=CC(C)=C1 I11175 [0,0,1,1,0,0|2,0,0]=4 191 B10R1.113 CC(=O)C1=NC(C)=CC=C1 34681 [0,0,1,1,0,0|2,0,0]=4 192 B10R1.113 CC(=O)C1=NC=CC(C)=C1 AB1018 [0,0,1,1,0,0|2,0,0]=4 193 B10R1.113 CC(=O)C1=NC=CC(Cl)=C1 72047 [0,0,1,1,0,0|2,0,0]=4 194 B10R1.113 CC1=CC=CC(C(=O)Cl)=C1 D78225 [0,0,1,1,0,0|2,0,0]=4 195 B10R1.113 CC1=CC=CC(C(=O)O)=C1 D70873 [0,0,1,1,0,0|2,0,0]=4 196 B10R1.113 CN(C)C1=CC=CC(O)=C1 28698 [0,0,1,1,0,0|2,0,0]=4 197 B10R1.113 C[C@H](O)C1=CC=CC(O)=C1 29944 [0,0,1,1,0,0|0,0,2]=4 198 B10R1.113 NC(=O)C1=CC(N)=CC=C1 35377 [0,0,1,1,0,0|2,0,0]=4 199 B10R1.113 NC(=O)C1=CC=CC(Br)=C1 26029 [0,0,1,1,0,0|2,0,0]=4 200 B10R1.113 NC(=O)C1=CC=CC(Cl)=C1 D70126 [0,0,1,1,0,0|2,0,0]=4 201 B10R1.113 NC(=O)C1=CC=CC(F)=C1 D71217 [0,0,1,1,0,0|2,0,0]=4 202 B10R1.113 NC(=O)C1=CC=CC(I)=C1 T71545 [0,0,1,1,0,0|2,0,0]=4 203 B10R1.113 NC1=CC=CC(C(=O)O)=C1 D70484 [0,0,1,1,0,0|2,0,0]=4 204 B10R1.113 O=C(Cl)C1=CC(F)=CC=C1 75835 [0,0,1,1,0,0|2,0,0]=4 205 B10R1.113 O=C(Cl)C1=CC=CC(Br)=C1 67715 [0,0,1,1,0,0|2,0,0]=4 206 B10R1.113 O=C(Cl)C1=CC=CC(Cl)=C1 D77316 [0,0,1,1,0,0|2,0,0]=4 207 B10R1.113 O=C(O)C1=CC(O)=NC=C1 62227 [0,0,1,1,0,0|2,0,0]=4 208 B10R1.113 O=C(O)C1=CC=CC(Br)=C1 22039 [0,0,1,1,0,0|2,0,0]=4 209 B10R1.113 O=C(O)C1=CC=CC(Cl)=C1 AC7860 [0,0,1,1,0,0|2,0,0]=4 210 B10R1.113 O=C(O)C1=CC=CC(F)=C1 AC7508 [0,0,1,1,0,0|2,0,0]=4 211 B10R1.113 O=C(O)C1=CC=CC(I)=C1 36348 [0,0,1,1,0,0|2,0,0]=4 212 B10R1.113 O=C(O)C1=CC=CC(S)=C1 C10086 [0,0,1,1,0,0|1,1,0]=4 213 B10R1.113 O=C(O)C1=CN=CC(O)=C1 69574 [0,0,1,1,0,0|2,0,0]=4 214 B10R1.113 O=C(O)C1=NC(O)=CC=C1 22204 [0,0,1,1,0,0|2,0,0]=4 215 B10R1.113 O=C(O)C1=NC=CC(O)=C1 52376 [0,0,1,1,0,0|2,0,0]=4 216 B10R1.113 O=[N+]([O-])C1=CC(O)=CC=C1 75889 [0,0,1,1,0,0|2,0,0]=4 217 B10R2.7 C1=CC2=C(C=C1)CC=C2 D72500 [1,0,0,1,0,0|1,0,1]=4 218 B10R2.7 C1=CC2=C(C=C1)OC=N2 H10149 [1,0,0,1,0,0|1,0,1]=4 219 B10R2.7 C1=CC2=C(C=C1)ON=C2 53958 [1,0,0,1,0,0|1,0,1]=4 220 B10R2.7 C1=CC2=C(C=C1)SC=C2 23043 [1,0,0,1,0,0|0,1,1]=4 221 B10R2.7 C1=CC2=C(C=CS2)N=C1 27000 [1,0,0,1,0,0|1,1,0]=4 222 B10R2.7 C1=CC2=C(N=C1)N=CO2 W17511 [1,0,0,1,0,0|2,0,0]=4 223 B10R2.7 C1=CN=C2C=CNC2=C1 52822 [1,0,0,1,0,0|2,0,0]=4 224 B12R2.24 CC1=CC=C2C=CC=NC2=C1 I11486 [0,0,0,1,0,1|2,0,0]=4 225 B12R2.24 CC1=CC=C2C=NC=CC2=C1 64314 [0,0,0,1,0,1|2,0,0]=4 226 B12R2.24 CC1=CC=C2N=CC=NC2=C1 81086 [0,0,0,1,0,1|2,0,0]=4 227 B12R2.24 CC1=NC2=CC=CN=C2C=C1 37485 [0,0,0,1,0,1|2,0,0]=4 228 B12R2.24 CC1=NC2=NC=CC=C2C=C1 83029 [0,0,0,1,0,1|2,0,0]=4 229 B12R2.24 O=C1C=CC2=C(C=CC=C2)O1 D81844 [0,0,0,1,0,1|2,0,0]=4 230 B12R2.44 COC1=CC2=C(C=C1)NC=C2 29335 [0,1,0,1,0,0|2,0,0]=4 231 B12R2.44 COC1=NC2=C(C=C1)NC=C2 64147 [0,1,0,1,0,0|2,0,0]=4 232 B12R2.44 CSC1=CC2=C(C=C1)NC=C2 69558 [0,1,0,1,0,0|2,0,0]=4 233 B12R2.44 N#CC1=CC2=C(C=C1)OC=C2 26373 [0,1,0,1,0,0|1,0,1]=4 234 B12R2.44 NCC1=CC2=C(C=C1)NC=C2 29851 [0,1,0,1,0,0|2,0,0]=4 235 B12R2.44 NCC1=CC2=C(C=C1)SC=C2 30255 [0,1,0,1,0,0|1,1,0]=4 236 B12R2.44 O=CC1=CC2=C(C=C1)NC=C2 29295 [0,1,0,1,0,0|1,0,1]=4 237 B12R2.44 O=CC1=CC2=C(C=C1)OC=C2 24019 [0,1,0,1,0,0|0,0,1]=3 238 B12R2.44 O=CC1=CC2=C(C=C1)SC=C2 F11170 [0,1,0,1,0,0|0,1,1]=4 239 B12R2.44 OCC1=CC2=C(C=C1)NC=C2 78819 [0,1,0,1,0,0|2,0,0]=4 240 B12R2.252 O=C(O)C1=CC2=C(C=CS2)N1 67010 [0,1,0,1,0,0|1,1,0]=4 241 B12R2.132 CC1=COC2=C1C=C(Br)C=C2 82194 [0,1,0,1,0,0|1,0,1]=4 242 B12R2.606 CC1=CC2=C(C=C1)NC(C)=C2 60590 [0,1,0,1,0,0|2,0,0]=4 243 B12R2.606 CC1=CC2=C(C=C1)OC(C)=N2 F14942 [0,1,0,1,0,0|2,0,0]=4 244 B12R2.606 CC1=CC2=C(C=C1)OC(N)=N2 C76003 [0,1,0,1,0,0|2,0,0]=4 245 B12R2.606 CC1=CC2=C(C=C1)OC(S)=N2 71733 [0,1,0,1,0,0|2,0,0]=4 246 B12R2.246 CC1=CC(Br)=C2OC=CC2=C1 D93442 [0,1,0,1,0,0|1,0,0]=3 247 B8R1.7 CC(=O)C1=CC=CN1 F14878 [0,0,0,0,2,0|1,0,0]=3 248 B8R1.7 CC(=O)C1=CC=CO1 55774 [0,0,0,0,2,0|0,0,0]=2 249 B8R1.7 CC(=O)C1=CC=CS1 W18336 [0,0,0,0,2,0|0,1,0]=3 250 B8R1.7 CC(=O)C1=CCC=C1 TD8050 [0,0,0,0,2,0|1,0,1]=4 251 B8R1.7 CC(=O)C1=CNC=C1 30137 [0,0,0,0,2,0|2,0,0]=4 252 B8R1.7 CC(=O)C1=CNC=N1 50330 [0,0,0,0,2,0|2,0,0]=4 253 B8R1.7 CC(=O)C1=COC=C1 N12485 [0,0,0,0,2,0|2,0,0]=4 254 B8R1.7 CC(=O)C1=CSC=C1 50448 [0,0,0,0,2,0|2,0,0]=4 255 B8R1.7 CC(=O)C1=CSC=N1 23438 [0,0,0,0,2,0|2,0,0]=4 256 B8R1.7 CC(=O)C1=NC=CN1 50314 [0,0,0,0,2,0|2,0,0]=4 257 B8R1.7 CC(=O)C1=NC=CS1 F11223 [0,0,0,0,2,0|1,1,0]=4 258 B8R1.7 CC(=O)C1=NNC=C1 36103 [0,0,0,0,2,0|2,0,0]=4 259 B8R1.7 CC(=O)C1=NNC=C1 D94907 [0,0,0,0,2,0|2,0,0]=4 260 B8R1.7 CC(=O)N1C=CC=N1 65440 [0,0,0,0,2,0|2,0,0]=4 261 B8R1.7 CC(C)=C1C=CC=C1 A10651 [0,0,0,0,2,0|2,0,0]=4 262 B8R1.7 C[C@H](O)C1=CC=CO1 C74444 [0,0,0,0,2,0|0,0,2]=4 263 B8R1.7 NC(=O)C1=CC=CN1 D83540 [0,0,0,0,2,0|2,0,0]=4 264 B8R1.7 NC(=O)C1=CC=CO1 A51100 [0,0,0,0,2,0|1,0,0]=3 265 B8R1.7 NC(=O)C1=CC=CS1 D85795 [0,0,0,0,2,0|1,1,0]=4 266 B8R1.7 NC(=O)C1=NC=CO1 74132 [0,0,0,0,2,0|2,0,0]=4 267 B8R1.7 O=C(Cl)C1=CC=CS1 D78154 [0,0,0,0,2,0|1,1,0]=4 268 B8R1.7 O=C(Cl)C1=CC=NO1 D82349 [0,0,0,0,2,0|2,0,0]=4 269 B8R1.7 O=C(O)C1=CC=CN1 33105 [0,0,0,0,2,0|2,0,0]=4 270 B8R1.7 O=C(O)C1=CC=CS1 D70571 [0,0,0,0,2,0|1,1,0]=4 271 B8R1.7 O=C(O)C1=CC=NO1 28558 [0,0,0,0,2,0|2,0,0]=4 272 B8R1.7 O=C(O)C1=CN=CO1 80167 [0,0,0,0,2,0|2,0,0]=4 273 B8R1.7 O=C([O-])C1=CC=CS1 F16481 [0,0,0,0,2,0|1,1,0]=4 274 B8R1.7 O=C([O-])C1=CC=CS1 H10133 [0,0,0,0,2,0|1,1,0]=4 275 B8R1.7 O=C([O-])C1=NC=CO1 57409 [0,0,0,0,2,0|2,0,0]=4 276 B10R1.17 O=C\C=C\C1=CC=CC=C1 D72477 [1,0,0,0,0,1|1,0,0]=3 277 B12R1.252 O=C(O)C\C=C\C1=CC=CC=C1 F14822 [0,0,0,0,0,2|2,0,0]=4