0 B12R1.252 CC(=O)COCC1=CC=CC=C1 11068 [0,0,0,0,0,0|2,0,0]=2 1 B12R1.252 CC(=O)NCCC1=CC=CC=C1 28552 [0,0,0,0,0,0|2,0,0]=2 2 B12R1.252 CC(C)CNCC1=CC=CC=C1 71268 [0,0,0,0,0,0|3,0,1]=4 3 B12R1.252 CN(C)CCOC1=CC=CC=C1 35711 [0,0,0,0,0,0|4,0,0]=4 4 B12R1.252 C[C@H](O)COCC1=CC=CC=C1 A11414 [0,0,0,0,0,0|2,0,1]=3 5 B12R1.252 C[C@H](O)COCC1=CC=CC=C1 A11416 [0,0,0,0,0,0|2,0,1]=3 6 B12R1.252 C[C@H](O)COCC1=CC=CC=C1 C72530 [0,0,0,0,0,0|2,0,1]=3 7 B12R1.252 Cl[SiH](Cl)CCCC1=CC=CC=C1 D95413 [0,0,0,0,0,0|2,1,0]=3 8 B12R1.252 NC(=S)NCCC1=CC=CC=C1 D85871 [0,0,0,0,0,0|2,1,0]=3 9 B12R1.252 O=C(Cl)COCC1=CC=CC=C1 FD7227 [0,0,0,0,0,0|2,0,0]=2 10 B12R1.252 O=C(O)CCCC1=CC=CC=C1 CX1106 [0,0,0,0,0,0|0,0,0]=0 11 B12R1.252 O=C(O)CCNC1=CC=CC=C1 30827 [0,0,0,0,0,0|1,0,0]=1 12 B12R1.252 O=C(O)CCOC1=CC=CC=C1 11256 [0,0,0,0,0,0|1,0,0]=1 13 B12R1.252 O=C(O)CCSC1=CC=CC=C1 D94986 [0,0,0,0,0,0|1,0,0]=1 14 B12R1.252 O=C(O)CNCC1=CC=CC=C1 26468 [0,0,0,0,0,0|1,0,0]=1 15 B12R1.252 O=C(O)CNCC1=CC=CC=C1 AB6138 [0,0,0,0,0,0|1,0,0]=1 16 B12R1.252 O=C(O)COCC1=CC=CC=C1 53674 [0,0,0,0,0,0|1,0,0]=1 17 B12R1.252 O=C(O)C\C=C\C1=CC=CC=C1 F14822 [0,0,0,0,0,0|0,0,2]=2 18 B12R1.252 O=C([O-])CCCC1=CC=CC=C1 F14969 [0,0,0,0,0,0|0,0,1]=1 19 B11R1.28 BrCCCCC1=CC=CC=C1 70737 [1,0,0,0,0,0|1,0,1]=3 20 B11R1.28 BrCCCOC1=CC=CC=C1 73704 [1,0,0,0,0,0|2,0,1]=4 21 B11R1.28 BrCCOCC1=CC=CC=C1 29418 [1,0,0,0,0,0|2,0,1]=4 22 B11R1.28 C#CCOCC1=CC=CC=C1 H11649 [1,0,0,0,0,0|2,0,1]=4 23 B11R1.28 C=CCNCC1=CC=CC=C1 51314 [1,0,0,0,0,0|2,0,0]=3 24 B11R1.28 C=CCNCC1=CC=CC=C1 51315 [1,0,0,0,0,0|2,0,0]=3 25 B11R1.28 C=CCOCC1=CC=CC=C1 CS1050 [1,0,0,0,0,0|2,0,0]=3 26 B11R1.28 CCCCCC1=CC=CC=C1 D88261 [1,0,0,0,0,0|1,0,1]=3 27 B11R1.28 CCCNCC1=CC=CC=C1 C78030 [1,0,0,0,0,0|2,0,1]=4 28 B11R1.28 CCNCCC1=CC=CC=C1 F20148 [1,0,0,0,0,0|2,0,1]=4 29 B11R1.28 CNCCCC1=CC=CC=C1 AR1442 [1,0,0,0,0,0|2,0,0]=3 30 B11R1.28 COCCSC1=CC=CC=C1 W18561 [1,0,0,0,0,0|3,0,0]=4 31 B11R1.28 ClCCCCC1=CC=CC=C1 D92122 [1,0,0,0,0,0|1,0,1]=3 32 B11R1.28 ClCCCCC1=CC=NC=C1 56205 [1,0,0,0,0,0|2,0,1]=4 33 B11R1.28 ClCCNCC1=CC=CC=C1 AB2649 [1,0,0,0,0,0|2,0,1]=4 34 B11R1.28 N#CCCNC1=CC=CC=C1 E70307 [1,0,0,0,0,0|2,0,1]=4 35 B11R1.28 N#CCCOC1=CC=CC=C1 AB7705 [1,0,0,0,0,0|2,0,1]=4 36 B11R1.28 N#CCOCC1=CC=CC=C1 AC3964 [1,0,0,0,0,0|2,0,1]=4 37 B11R1.28 NCCCCC1=CC=CC=C1 D88381 [1,0,0,0,0,0|1,0,1]=3 38 B11R1.28 NCCNCC1=CC=CC=C1 20546 [1,0,0,0,0,0|2,0,1]=4 39 B11R1.28 NCCOCC1=CC=CC=C1 CL4561 [1,0,0,0,0,0|2,0,1]=4 40 B11R1.28 NCCOCC1=CC=CC=C1 CL4570 [1,0,0,0,0,0|2,0,1]=4 41 B11R1.28 O=C=NCCC1=CC=CC=C1 D92144 [1,0,0,0,0,0|1,0,1]=3 42 B11R1.28 O=CCCCC1=CC=CC=C1 D71263 [1,0,0,0,0,0|0,0,0]=1 43 B11R1.28 O=CCOCC1=CC=CC=C1 35646 [1,0,0,0,0,0|1,0,0]=2 44 B11R1.28 OCCCCC1=CC=CC=C1 70774 [1,0,0,0,0,0|0,0,1]=2 45 B11R1.28 OCCCCC1=CC=NC=C1 30651 [1,0,0,0,0,0|1,0,1]=3 46 B11R1.28 OCCCCC1=CN=CC=C1 32381 [1,0,0,0,0,0|1,0,1]=3 47 B11R1.28 OCCCNC1=CC=CC=C1 D88515 [1,0,0,0,0,0|1,0,1]=3 48 B11R1.28 OCCCOC1=CC=CC=C1 A50719 [1,0,0,0,0,0|1,0,1]=3 49 B11R1.28 OCCNCC1=CC=CC=C1 AC7917 [1,0,0,0,0,0|1,0,1]=3 50 B11R1.28 OCCOCC1=CC=CC=C1 P17494 [1,0,0,0,0,0|1,0,1]=3 51 B11R1.28 S=C=NCCC1=CC=CC=C1 D92051 [1,0,0,0,0,0|1,1,1]=4 52 B13R1.45 CC(=O)COC(=O)C1=CC=CC=C1 11299 [0,1,0,0,0,0|2,0,1]=4 53 B13R1.45 CC(=O)OCC(=O)C1=CC=CC=C1 11821 [0,1,0,0,0,0|2,0,1]=4 54 B13R1.45 C[C@H](NCC(=O)O)C1=CC=CC=C1 30438 [0,1,0,0,0,0|1,0,0]=2 55 B13R1.45 C[C@H](NCC(=O)O)C1=CC=CC=C1 31345 [0,1,0,0,0,0|1,0,0]=2 56 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 CX1085 [0,1,0,0,0,0|0,0,1]=2 57 B13R1.45 O=C(O)CNC(=O)C1=CC=CC=C1 S11321 [0,1,0,0,0,0|1,0,1]=3 58 B13R1.45 O=C(O)CNC(=O)C1=CN=CC=C1 F19167 [0,1,0,0,0,0|2,0,1]=4 59 B13R1.45 O=C(O)CSC(=S)C1=CC=CC=C1 D77774 [0,1,0,0,0,0|1,0,1]=3 60 B13R1.45 O=C(O)\C=C\C(=O)C1=CC=CC=C1 C10738 [0,1,0,0,0,0|0,0,3]=4 61 B13R1.45 O=C([O-])CNC(=O)C1=CC=CC=C1 D78474 [0,1,0,0,0,0|1,0,2]=4 62 B13R1.149 O=C(O)CCCC1=CC=CC(Br)=C1 F13630 [0,1,0,0,0,0|0,0,0]=1 63 B13R1.149 O=C(O)CCNC1=CC=CC(Br)=N1 E72143 [0,1,0,0,0,0|2,0,0]=3 64 B13R1.158 O=C(O)CCCC1=C(F)C=CC=C1 20761 [0,1,0,0,0,0|0,0,0]=1 65 B13R1.158 O=C(O)CCOC1=C(Br)C=CC=C1 W12469 [0,1,0,0,0,0|1,0,0]=2 66 B13R1.348 CC(C)C[C@H](O)CC1=CC=CC=C1 D91564 [0,1,0,0,0,0|2,0,1]=4 67 B13R1.348 CN(CC(=O)O)CC1=CC=CC=C1 93824 [0,1,0,0,0,0|1,0,0]=2 68 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=CC=C1 50990 [0,1,0,0,0,0|0,0,0]=1 69 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=CC=C1 F12089 [0,1,0,0,0,0|0,0,0]=1 70 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=CC=C1 FD10310 [0,1,0,0,0,0|0,0,0]=1 71 B13R1.351 C[C@H](OCC1=CC=CC=C1)C(=O)O C10936 [0,1,0,0,0,0|1,0,0]=2 72 B13R1.351 C[C@H](OCC1=CC=CC=C1)C(=O)O O10204 [0,1,0,0,0,0|1,0,0]=2 73 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O 28665 [0,1,0,0,0,0|0,0,0]=1 74 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O 28667 [0,1,0,0,0,0|0,0,0]=1 75 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O 31133 [0,1,0,0,0,0|0,0,0]=1 76 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O 62300 [0,1,0,0,0,0|0,0,0]=1 77 B13R1.351 N[C@@H](CSC1=CC=CC=C1)C(=O)O FD21309 [0,1,0,0,0,0|1,0,0]=2 78 B13R1.351 O=C(O)C(=O)CCC1=CC=CC=C1 C10644 [0,1,0,0,0,0|0,0,1]=2 79 B13R1.351 O=C(O)[C@@H](O)CCC1=CC=CC=C1 59160 [0,1,0,0,0,0|0,0,0]=1 80 B13R1.351 O=C(O)[C@@H](O)CCC1=CC=CC=C1 O10214 [0,1,0,0,0,0|0,0,0]=1 81 B13R1.513 CC(=O)NCCC1=CC=C(O)C=C1 Y10620 [0,1,0,0,0,0|2,0,0]=3 82 B13R1.513 CC1=CC=C(CCCC(=O)O)C=C1 66770 [0,1,0,0,0,0|0,0,0]=1 83 B13R1.513 NC1=CC=C(CCCC(=O)O)C=C1 33990 [0,1,0,0,0,0|0,0,0]=1 84 B13R1.513 O=C(O)CCCC1=CC=C(Br)C=C1 F13641 [0,1,0,0,0,0|0,0,0]=1 85 B13R1.513 O=C(O)CCCC1=CC=C(Cl)C=C1 S10904 [0,1,0,0,0,0|0,0,0]=1 86 B13R1.513 O=C(O)CCCC1=CC=C(F)C=C1 61020 [0,1,0,0,0,0|0,0,0]=1 87 B13R1.513 O=C(O)CCCC1=CC=C(I)C=C1 VT1082 [0,1,0,0,0,0|0,0,0]=1 88 B13R1.513 O=C(O)CCCC1=CC=C(O)C=C1 25617 [0,1,0,0,0,0|0,0,0]=1 89 B13R1.513 O=C(O)CCOC1=CC=C(Cl)C=C1 AC7980 [0,1,0,0,0,0|1,0,0]=2 90 B13R1.513 O=C(O)CCOC1=CC=C(F)C=C1 75626 [0,1,0,0,0,0|1,0,0]=2 91 B13R1.718 CCC(=O)OCCC1=CC=CC=C1 D71192 [0,1,0,0,0,0|2,0,0]=3 92 B13R1.718 COC(=O)CCCC1=CC=CC=C1 F51620 [0,1,0,0,0,0|0,0,0]=1 93 B13R1.718 COC(=O)CCNC1=CC=CC=C1 23758 [0,1,0,0,0,0|1,0,0]=2 94 B13R1.718 COC(=O)CCNC1=NC=CC=C1 D97570 [0,1,0,0,0,0|2,0,0]=3 95 B13R1.718 COC(=O)CNCC1=CC=CC=C1 C10651 [0,1,0,0,0,0|1,0,0]=2 96 B13R1.718 COC(=O)CNCC1=CC=CC=C1 FD21606 [0,1,0,0,0,0|1,0,0]=2 97 B13R1.718 C[C@@H](CO)COCC1=CC=CC=C1 W11218 [0,1,0,0,0,0|2,0,1]=4 98 B13R1.718 N[C@@H](CO)COCC1=CC=CC=C1 C75742 [0,1,0,0,0,0|2,0,1]=4 99 B13R1.718 N[C@@H](CO)COCC1=CC=CC=C1 F10947 [0,1,0,0,0,0|2,0,1]=4 100 B13R1.718 OC[C@H](O)COCC1=CC=CC=C1 35088 [0,1,0,0,0,0|1,0,2]=4 101 B13R1.718 OC[C@H](O)COCC1=CC=CC=C1 E10198 [0,1,0,0,0,0|1,0,2]=4 102 B13R1.3523 CC(C)(O)CNCC1=CC=CC=C1 69546 [0,1,0,0,0,0|2,0,1]=4 103 B13R1.3523 CS(=O)(=O)OCCC1=CC=CC=C1 C73797 [0,1,0,0,0,0|2,0,1]=4 104 B13R1.3523 Cl[Si](Cl)(Cl)CCCC1=CC=CC=C1 C14650 [0,1,0,0,0,0|2,1,0]=4 105 B13R1.3523 F[B-](F)(F)CCCC1=CC=CC=C1 BL007278 [0,1,0,0,0,0|3,0,0]=4 106 B13R1.3523 O=S(=O)([O-])CCC[N+]1=CC=CC=C1 S12015 [0,1,0,0,0,0|2,0,1]=4 107 B13R2.10 CC1COC(C2=CC=CC=C2)O1 D70175 [0,0,0,1,0,0|2,0,1]=4 108 B13R2.10 O=C1CCN(C2=CC=CC=C2)N1 D78316 [0,0,0,1,0,0|2,0,0]=3 109 B13R2.10 O=C1CC[C@@H](C2=CC=CC=C2)O1 D92106 [0,0,0,1,0,0|0,0,0]=1 110 B13R2.10 O=C1CN=C(C2=CC=CC=C2)O1 65136 [0,0,0,1,0,0|1,0,1]=3 111 B13R2.10 O=C1C[C@H](C2=CC=CC=C2)CN1 65711 [0,0,0,1,0,0|2,0,0]=3 112 B13R2.10 O=C1N[C@H](C2=CC=CC=C2)CO1 22501 [0,0,0,1,0,0|2,0,0]=3 113 B13R2.10 O=C1N[C@H](C2=CC=CC=C2)CO1 22502 [0,0,0,1,0,0|2,0,0]=3 114 B13R2.10 O=C1N[C@H](C2=CC=CC=C2)CO1 71239 [0,0,0,1,0,0|2,0,0]=3 115 B13R2.31 OC1CN(CC2=CC=CC=C2)C1 53756 [0,0,0,1,0,0|2,0,1]=4 116 B13R2.72 CC(=O)N1CCC2=C1C=CC=C2 71031 [0,0,0,1,0,0|2,0,0]=3 117 B13R2.72 O=C(O)C1=CCC2=C1C=CC=C2 71093 [0,0,0,1,0,0|0,0,2]=3 118 B13R2.72 O=C(O)C1=CNC2=C1C=CC=C2 23500 [0,0,0,1,0,0|1,0,2]=4 119 B13R2.72 O=C(O)C1=COC2=C1C=CC=C2 C80096 [0,0,0,1,0,0|1,0,2]=4 120 B13R2.72 O=C(O)C1=CSC2=C1C=CC=C2 53678 [0,0,0,1,0,0|1,0,2]=4 121 B13R2.72 O=C(O)C1=NNC2=C1C=CC=C2 26030 [0,0,0,1,0,0|2,0,1]=4 122 B13R2.72 O=C(O)C1=NOC2=C1C=CC=C2 25280 [0,0,0,1,0,0|2,0,1]=4 123 B13R2.72 O=C(O)[C@@H]1CCC2=C1C=CC=C2 25152 [0,0,0,1,0,0|0,0,0]=1 124 B13R2.163 O=C1CCCC2=C(C=CC=C2)N1 23936 [0,0,0,1,0,0|1,0,0]=2 125 B13R2.163 O=C1CCNC2=C(C=CC=C2)N1 25949 [0,0,0,1,0,0|2,0,0]=3 126 B13R2.423 O=C(O)C1CC1C2=CC=CC=C2 P17280 [0,0,0,1,0,0|0,0,0]=1 127 B13R2.423 O=C(O)[C@@H]1C[C@@H]1C2=CC=CC=C2 55229 [0,0,0,1,0,0|0,0,0]=1 128 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CC=CC=C2 55235 [0,0,0,1,0,0|0,0,0]=1 129 B13R2.2382 C1=CC=C(COC[C@H]2CO2)C=C1 98138 [0,0,0,1,0,0|2,0,1]=4 130 B13R2.2382 C1=CC=C(COC[C@H]2CO2)C=C1 I10135 [0,0,0,1,0,0|2,0,1]=4 131 B13R2.3122 C[C@]1(O)CCCC2=C1C=CC=C2 D93667 [0,0,0,1,0,0|1,0,1]=3 132 B11R1.91 CC(=N)SCC1=CC=CC=C1 77568 [0,0,0,0,1,0|3,0,0]=4 133 B11R1.91 CC(=O)CCC1=CC=CC=C1 P17497 [0,0,0,0,1,0|1,0,0]=2 134 B11R1.91 CC(=O)COC1=CC=CC=C1 34157 [0,0,0,0,1,0|2,0,0]=3 135 B11R1.91 CC(=O)NCC1=CC=CC=C1 D70359 [0,0,0,0,1,0|2,0,0]=3 136 B11R1.91 CC(=O)NNC1=CC=CC=C1 F11205 [0,0,0,0,1,0|3,0,0]=4 137 B11R1.91 CC(=O)OCC1=NC=CC=C1 C13980 [0,0,0,0,1,0|3,0,0]=4 138 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 D70186 [0,0,0,0,1,0|1,0,2]=4 139 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 D70528 [0,0,0,0,1,0|1,0,2]=4 140 B11R1.91 CN(C)CCC1=CC=CC=C1 F12470 [0,0,0,0,1,0|3,0,0]=4 141 B11R1.91 C[C@H](O)CCC1=CC=CC=C1 28916 [0,0,0,0,1,0|1,0,1]=3 142 B11R1.91 C[C@H](O)COC1=CC=CC=C1 D77637 [0,0,0,0,1,0|2,0,1]=4 143 B11R1.91 N=C(N)CCC1=CC=CC=C1 C15393 [0,0,0,0,1,0|2,0,0]=3 144 B11R1.91 N=C(N)NCC1=CC=CC=C1 D81805 [0,0,0,0,1,0|3,0,0]=4 145 B11R1.91 N=C(N)SCC1=CC=CC=C1 D88650 [0,0,0,0,1,0|3,0,0]=4 146 B11R1.91 NC(=O)C#CC1=CC=CC=C1 83537 [0,0,0,0,1,0|1,0,2]=4 147 B11R1.91 NC(=O)CCC1=CC=CC=C1 S11404 [0,0,0,0,1,0|1,0,0]=2 148 B11R1.91 NC(=O)CNC1=CC=CC=C1 71765 [0,0,0,0,1,0|2,0,0]=3 149 B11R1.91 NC(=O)NCC1=CC=CC=C1 67608 [0,0,0,0,1,0|2,0,0]=3 150 B11R1.91 NC(=O)NNC1=CC=CC=C1 D91929 [0,0,0,0,1,0|3,0,0]=4 151 B11R1.91 NC(=O)OCC1=CC=CC=C1 11833 [0,0,0,0,1,0|2,0,0]=3 152 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 29382 [0,0,0,0,1,0|1,0,2]=4 153 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 AC7815 [0,0,0,0,1,0|1,0,2]=4 154 B11R1.91 NC(=S)NCC1=CC=CC=C1 D85863 [0,0,0,0,1,0|2,1,0]=4 155 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 78923 [0,0,0,0,1,0|1,0,0]=2 156 B11R1.91 O=C(O)C#CC1=CC=CC=C1 33950 [0,0,0,0,1,0|0,0,2]=3 157 B11R1.91 O=C(O)CCC1=CC=CC=C1 65006 [0,0,0,0,1,0|0,0,0]=1 158 B11R1.91 O=C(O)CCC1=CC=NC=C1 78791 [0,0,0,0,1,0|1,0,0]=2 159 B11R1.91 O=C(O)CCC1=CN=CC=C1 A10240 [0,0,0,0,1,0|1,0,0]=2 160 B11R1.91 O=C(O)CCC1=NC=CC=C1 S11406 [0,0,0,0,1,0|1,0,0]=2 161 B11R1.91 O=C(O)CNC1=CC=CC=C1 29550 [0,0,0,0,1,0|1,0,0]=2 162 B11R1.91 O=C(O)COC1=CC=CC=C1 D70383 [0,0,0,0,1,0|1,0,0]=2 163 B11R1.91 O=C(O)COC1=CN=CC=C1 D82223 [0,0,0,0,1,0|2,0,0]=3 164 B11R1.91 O=C(O)COC1=NC=CC=C1 P18645 [0,0,0,0,1,0|2,0,0]=3 165 B11R1.91 O=C(O)CSC1=CC=CC=C1 D70930 [0,0,0,0,1,0|1,0,0]=2 166 B11R1.91 O=C(O)CSC1=CC=NC=C1 F15983 [0,0,0,0,1,0|2,0,0]=3 167 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 D70605 [0,0,0,0,1,0|0,0,2]=3 168 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 A10227 [0,0,0,0,1,0|1,0,2]=4 169 B11R1.91 O=C(O)\C=C\C1=CN=CC=C1 65474 [0,0,0,0,1,0|1,0,2]=4 170 B11R1.91 O=C(O)\C=C\C1=NC=CC=C1 28919 [0,0,0,0,1,0|1,0,2]=4 171 B11R1.91 O=C(O)\C=C\C1=NC=CC=C1 C90173 [0,0,0,0,1,0|1,0,2]=4 172 B11R1.91 O=C([O-])C=CC1=CC=CC=C1 D82494 [0,0,0,0,1,0|0,0,3]=4 173 B11R1.91 O=C([O-])CNC1=CC=CC=C1 D91919 [0,0,0,0,1,0|1,0,1]=3 174 B11R1.91 O=C([O-])COC1=CC=CC=C1 D70384 [0,0,0,0,1,0|1,0,1]=3 175 B11R1.91 O=C([O-])COC1=CC=CC=C1 D79781 [0,0,0,0,1,0|1,0,1]=3 176 B11R1.91 OB(O)CCC1=CC=CC=C1 28933 [0,0,0,0,1,0|1,0,1]=3 177 B11R1.172 O=C(O)CCCC1=CC=CS1 28818 [0,0,0,0,1,0|1,0,0]=2 178 B13R1.337 CC(=O)CCOCC1=CC=CC=C1 AT15541 [0,0,0,0,0,1|1,0,0]=2 179 B13R1.337 CC(=O)OCCCC1=CC=CC=C1 D78382 [0,0,0,0,0,1|1,0,0]=2 180 B13R1.337 CC(=O)OCCOC1=CC=CC=C1 H10047 [0,0,0,0,0,1|2,0,0]=3 181 B13R1.337 CC(=O)OC\C=C\C1=CC=CC=C1 AC7842 [0,0,0,0,0,1|1,0,2]=4 182 B13R1.337 O=C(O)CCCCC1=CC=CC=C1 D70130 [0,0,0,0,0,1|0,0,0]=1 183 B13R1.337 O=C(O)CCCOC1=CC=CC=C1 D78433 [0,0,0,0,0,1|0,0,0]=1 184 B13R1.337 O=C(O)CCCSC1=CC=CC=C1 D97349 [0,0,0,0,0,1|0,0,0]=1 185 B13R1.337 O=C(O)CCOCC1=CC=CC=C1 E10175 [0,0,0,0,0,1|0,0,0]=1 186 B13R1.337 O=C(O)CCSCC1=CC=CC=C1 D83172 [0,0,0,0,0,1|0,0,0]=1 187 B13R1.337 O=C(O)\C=C\C=C\C1=CC=CC=C1 F10302 [0,0,0,0,0,1|0,0,3]=4 188 B10R1.17 BrCCCC1=CC=CC=C1 D78162 [2,0,0,0,0,0|1,0,0]=3 189 B10R1.17 BrCCOC1=CC=CC=C1 73688 [2,0,0,0,0,0|2,0,0]=4 190 B10R1.17 BrCCSC1=CC=CC=C1 D88892 [2,0,0,0,0,0|2,0,0]=4 191 B10R1.17 C#CCCC1=CC=CC=C1 D74342 [2,0,0,0,0,0|0,0,2]=4 192 B10R1.17 C=CCNC1=CC=CC=C1 D88344 [2,0,0,0,0,0|1,0,1]=4 193 B10R1.17 C=CCOC1=CC=CC=C1 D77750 [2,0,0,0,0,0|1,0,1]=4 194 B10R1.17 C=CCSC1=CC=CC=C1 S12094 [2,0,0,0,0,0|1,0,1]=4 195 B10R1.17 C=COCC1=CC=CC=C1 P11489 [2,0,0,0,0,0|1,0,1]=4 196 B10R1.17 CCCCC1=CC=CC=C1 H11923 [2,0,0,0,0,0|0,0,1]=3 197 B10R1.17 CCCCC1=CC=CN=C1 F20500 [2,0,0,0,0,0|1,0,1]=4 198 B10R1.17 CCCC[N+]1=CC=CC=C1 C93409 [2,0,0,0,0,0|1,0,1]=4 199 B10R1.17 CCCC[N+]1=CC=CC=C1 C93435 [2,0,0,0,0,0|1,0,1]=4 200 B10R1.17 CCCC[N+]1=CC=CC=C1 C93442 [2,0,0,0,0,0|1,0,1]=4 201 B10R1.17 CCCC[N+]1=CC=CC=C1 C93518 [2,0,0,0,0,0|1,0,1]=4 202 B10R1.17 CCCNC1=CC=CC=C1 D91987 [2,0,0,0,0,0|1,0,1]=4 203 B10R1.17 CCOCC1=CC=CC=C1 F30115 [2,0,0,0,0,0|1,0,1]=4 204 B10R1.17 CNCCC1=CC=CC=C1 AR1058 [2,0,0,0,0,0|1,0,1]=4 205 B10R1.17 ClCCCC1=CC=CC=C1 S12344 [2,0,0,0,0,0|1,0,0]=3 206 B10R1.17 ClCCOC1=CC=CC=C1 74955 [2,0,0,0,0,0|2,0,0]=4 207 B10R1.17 ClCCSC1=CC=CC=C1 C10874 [2,0,0,0,0,0|2,0,0]=4 208 B10R1.17 ClCOCC1=CC=CC=C1 76478 [2,0,0,0,0,0|2,0,0]=4 209 B10R1.17 ClCSCC1=CC=CC=C1 D88878 [2,0,0,0,0,0|2,0,0]=4 210 B10R1.17 N#CCCC1=CC=CC=C1 D91984 [2,0,0,0,0,0|1,0,1]=4 211 B10R1.17 NCCCC1=CC=CC=C1 S10208 [2,0,0,0,0,0|1,0,0]=3 212 B10R1.17 NCCCC1=NC=CC=C1 70884 [2,0,0,0,0,0|2,0,0]=4 213 B10R1.17 NCCNC1=CC=CC=C1 AC8789 [2,0,0,0,0,0|2,0,0]=4 214 B10R1.17 NCCOC1=CC=CC=C1 33388 [2,0,0,0,0,0|2,0,0]=4 215 B10R1.17 O=C=NCC1=CC=CC=C1 D91149 [2,0,0,0,0,0|1,0,1]=4 216 B10R1.17 O=CC#CC1=CC=CC=C1 TD1326 [2,0,0,0,0,0|0,0,2]=4 217 B10R1.17 O=CCCC1=CC=CC=C1 C10629 [2,0,0,0,0,0|0,0,0]=2 218 B10R1.17 O=CNCC1=CC=CC=C1 D72481 [2,0,0,0,0,0|1,0,0]=3 219 B10R1.17 O=COCC1=CC=CC=C1 D70183 [2,0,0,0,0,0|1,0,0]=3 220 B10R1.17 O=C\C=C\C1=CC=CC=C1 D72477 [2,0,0,0,0,0|0,0,2]=4 221 B10R1.17 OCC#CC1=CC=CC=C1 O11048 [2,0,0,0,0,0|0,0,2]=4 222 B10R1.17 OCCCC1=CC=CC=C1 AC1807 [2,0,0,0,0,0|0,0,0]=2 223 B10R1.17 OCCCC1=CC=NC=C1 65430 [2,0,0,0,0,0|1,0,0]=3 224 B10R1.17 OCCCC1=CN=CC=C1 D84150 [2,0,0,0,0,0|1,0,0]=3 225 B10R1.17 OCCCC1=NC=CC=C1 31622 [2,0,0,0,0,0|1,0,0]=3 226 B10R1.17 OCCCC1=NC=CC=C1 38162 [2,0,0,0,0,0|1,0,0]=3 227 B10R1.17 OCCNC1=CC=CC=C1 D70504 [2,0,0,0,0,0|1,0,0]=3 228 B10R1.17 OCCNC1=NC=CC=C1 D82807 [2,0,0,0,0,0|2,0,0]=4 229 B10R1.17 OCCSC1=CC=CC=C1 D83749 [2,0,0,0,0,0|1,0,0]=3 230 B10R1.17 OCCSC1=NC=CC=C1 D83595 [2,0,0,0,0,0|2,0,0]=4 231 B10R1.17 OC\C=C/C1=CC=CC=C1 AC1182 [2,0,0,0,0,0|0,0,2]=4 232 B10R1.17 OC\C=C\C1=CC=CC=C1 D95443 [2,0,0,0,0,0|0,0,2]=4 233 B12R1.1 BrCCCCC1=CC=C(Br)C=C1 D80497 [1,1,0,0,0,0|1,0,1]=4 234 B12R1.1 CCCCCC1=CC=C(Br)C=C1 28615 [1,1,0,0,0,0|1,0,1]=4 235 B12R1.1 CCCCCC1=CC=C(N)C=C1 D88359 [1,1,0,0,0,0|1,0,1]=4 236 B12R1.1 CCCCCC1=CC=C(O)C=C1 27300 [1,1,0,0,0,0|1,0,1]=4 237 B12R1.1 OCCCOC1=CC=C(F)C=C1 50037 [1,1,0,0,0,0|1,0,1]=4 238 B12R1.8 BrCCCCCC1=CC=CC=C1 S10028 [1,1,0,0,0,0|1,0,1]=4 239 B12R1.8 BrCCCCOC1=CC=CC=C1 C11349 [1,1,0,0,0,0|1,0,1]=4 240 B12R1.8 BrCCCOCC1=CC=CC=C1 33009 [1,1,0,0,0,0|1,0,1]=4 241 B12R1.8 C=CCCNCC1=CC=CC=C1 W12766 [1,1,0,0,0,0|1,0,0]=3 242 B12R1.8 CCCCCCC1=CC=CC=C1 65014 [1,1,0,0,0,0|1,0,1]=4 243 B12R1.8 CCCCNCC1=CC=CC=C1 D88887 [1,1,0,0,0,0|1,0,1]=4 244 B12R1.8 CNCCCCC1=CC=CC=C1 AR1724 [1,1,0,0,0,0|1,0,1]=4 245 B12R1.8 CNCCNCC1=CC=CC=C1 AB2659 [1,1,0,0,0,0|2,0,0]=4 246 B12R1.8 ClCCCCOC1=CC=CC=C1 D85909 [1,1,0,0,0,0|1,0,1]=4 247 B12R1.8 N#CCCOCC1=CC=CC=C1 D84177 [1,1,0,0,0,0|1,0,1]=4 248 B12R1.8 N#CCC[NH2+]CC1=CC=CC=C1 D85877 [1,1,0,0,0,0|1,0,1]=4 249 B12R1.8 NCCCNCC1=CC=CC=C1 23518 [1,1,0,0,0,0|1,0,1]=4 250 B12R1.8 O=CCCOCC1=CC=CC=C1 W18571 [1,1,0,0,0,0|0,0,0]=2 251 B12R1.8 OCCCCCC1=CC=CC=C1 D92109 [1,1,0,0,0,0|0,0,1]=3 252 B12R1.8 OCCCNCC1=CC=CC=C1 29589 [1,1,0,0,0,0|0,0,1]=3 253 B12R1.8 OCCCNCC1=CC=CC=C1 W11523 [1,1,0,0,0,0|0,0,1]=3 254 B12R1.8 OCCCOCC1=CC=CC=C1 29440 [1,1,0,0,0,0|0,0,1]=3 255 B12R1.27 C[C@@H](CO)NCC1=CC=CC=C1 79303 [1,1,0,0,0,0|1,0,1]=4 256 B12R1.27 C[C@@H](CO)NCC1=CC=CC=C1 W12270 [1,1,0,0,0,0|1,0,1]=4 257 B12R1.27 OC[C@H](O)COC1=CC=CC=C1 D92114 [1,1,0,0,0,0|1,0,1]=4 258 B12R1.30 C=CCN[C@@H](C)C1=CC=CC=C1 D80854 [1,1,0,0,0,0|2,0,0]=4 259 B12R1.30 CNCC[C@H](O)C1=CC=CC=C1 F17750 [1,1,0,0,0,0|2,0,0]=4 260 B12R1.32 CN(CCO)CC1=CC=CC=C1 D70360 [1,1,0,0,0,0|1,0,1]=4 261 B12R1.21 CC(=O)CCC1=CC=C(C)C=C1 32309 [0,1,0,0,1,0|1,0,0]=3 262 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 D70581 [0,1,0,0,1,0|1,0,0]=3 263 B12R1.21 CC(=O)CSC1=CC=C(F)C=C1 73930 [0,1,0,0,1,0|2,0,0]=4 264 B12R1.21 CC(=O)NCC1=CC=C(Br)C=C1 C78568 [0,1,0,0,1,0|2,0,0]=4 265 B12R1.21 CC(=O)OCC1=CC=C(C)C=C1 D97438 [0,1,0,0,1,0|2,0,0]=4 266 B12R1.21 CC(=O)OCC1=CC=C(Cl)C=C1 C10410 [0,1,0,0,1,0|2,0,0]=4 267 B12R1.21 CC1=CC=C(CCC(=O)O)C=C1 76168 [0,1,0,0,1,0|0,0,0]=2 268 B12R1.21 CC1=CC=C(OCC(=O)O)C=C1 A50584 [0,1,0,0,1,0|1,0,0]=3 269 B12R1.21 CC1=CC=C(SCC(=O)O)C=C1 71044 [0,1,0,0,1,0|1,0,0]=3 270 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 AC7520 [0,1,0,0,1,0|0,0,2]=4 271 B12R1.21 C[C@H](O)CCC1=CC=C(O)C=C1 T72839 [0,1,0,0,1,0|1,0,1]=4 272 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 35369 [0,1,0,0,1,0|0,0,0]=2 273 B12R1.21 NC1=CC=C(OCC(=O)O)C=C1 68781 [0,1,0,0,1,0|1,0,0]=3 274 B12R1.21 NC1=CC=C(\C=C\C(=O)O)C=C1 CK2534 [0,1,0,0,1,0|0,0,2]=4 275 B12R1.21 O=C(O)CCC1=CC=C(Br)C=C1 AB3203 [0,1,0,0,1,0|0,0,0]=2 276 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 33552 [0,1,0,0,1,0|0,0,0]=2 277 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 AB7295 [0,1,0,0,1,0|0,0,0]=2 278 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 35011 [0,1,0,0,1,0|0,0,0]=2 279 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 AT13193 [0,1,0,0,1,0|0,0,0]=2 280 B12R1.21 O=C(O)CNC1=CC=C(F)C=C1 CS1182 [0,1,0,0,1,0|1,0,0]=3 281 B12R1.21 O=C(O)COC1=CC=C(Br)C=C1 A50579 [0,1,0,0,1,0|1,0,0]=3 282 B12R1.21 O=C(O)COC1=CC=C(Cl)C=C1 A50588 [0,1,0,0,1,0|1,0,0]=3 283 B12R1.21 O=C(O)COC1=CC=C(F)C=C1 A50587 [0,1,0,0,1,0|1,0,0]=3 284 B12R1.21 O=C(O)COC1=CC=C(I)C=C1 78056 [0,1,0,0,1,0|1,0,0]=3 285 B12R1.21 O=C(O)COC1=CC=C(O)C=C1 AT23403 [0,1,0,0,1,0|1,0,0]=3 286 B12R1.21 O=C(O)CSC1=CC=C(Cl)C=C1 W11890 [0,1,0,0,1,0|1,0,0]=3 287 B12R1.21 O=C(O)CSC1=CC=C(F)C=C1 75256 [0,1,0,0,1,0|1,0,0]=3 288 B12R1.21 O=C(O)\C=C\C1=CC=C(Br)C=C1 AB6442 [0,1,0,0,1,0|0,0,2]=4 289 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)C=C1 S12285 [0,1,0,0,1,0|0,0,2]=4 290 B12R1.21 O=C(O)\C=C\C1=CC=C(F)C=C1 78053 [0,1,0,0,1,0|0,0,2]=4 291 B12R1.21 O=C(O)\C=C\C1=CC=C(F)C=C1 AC7879 [0,1,0,0,1,0|0,0,2]=4 292 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 AC7957 [0,1,0,0,1,0|0,0,2]=4 293 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 CK2547 [0,1,0,0,1,0|0,0,2]=4 294 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O F13740 [0,1,0,0,1,0|0,0,1]=3 295 B12R1.43 C[C@H](OC1=CC=CC=C1)C(=O)O 65146 [0,1,0,0,1,0|1,0,0]=3 296 B12R1.43 C[C@H](OC1=CC=CC=C1)C(=O)O AR3815 [0,1,0,0,1,0|1,0,0]=3 297 B12R1.43 C[C@H](OC1=CC=CC=C1)C(N)=O AR2180 [0,1,0,0,1,0|2,0,0]=4 298 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 39405 [0,1,0,0,1,0|1,0,0]=3 299 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 F10543 [0,1,0,0,1,0|1,0,0]=3 300 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 F10920 [0,1,0,0,1,0|1,0,0]=3 301 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 F10983 [0,1,0,0,1,0|1,0,0]=3 302 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 F11007 [0,1,0,0,1,0|1,0,0]=3 303 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O 28345 [0,1,0,0,1,0|0,0,0]=2 304 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O AC8117 [0,1,0,0,1,0|0,0,0]=2 305 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O C10470 [0,1,0,0,1,0|0,0,0]=2 306 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O D77851 [0,1,0,0,1,0|0,0,0]=2 307 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O 50941 [0,1,0,0,1,0|1,0,0]=3 308 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O C10909 [0,1,0,0,1,0|1,0,0]=3 309 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O O10212 [0,1,0,0,1,0|1,0,0]=3 310 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O W16799 [0,1,0,0,1,0|1,0,0]=3 311 B12R1.43 N[C@@H](CC1=CN=CC=C1)C(=O)O 24145 [0,1,0,0,1,0|1,0,0]=3 312 B12R1.43 N[C@@H](CC1=CN=CC=C1)C(=O)O 34743 [0,1,0,0,1,0|1,0,0]=3 313 B12R1.43 N[C@@H](CC1=CN=CC=C1)C(=O)O C74797 [0,1,0,0,1,0|1,0,0]=3 314 B12R1.43 N[C@@H](CC1=CN=CC=C1)C(=O)O H10629 [0,1,0,0,1,0|1,0,0]=3 315 B12R1.43 N[C@@H](CC1=NC=CC=C1)C(=O)O A50237 [0,1,0,0,1,0|1,0,0]=3 316 B12R1.43 N[C@@H](CC1=NC=CC=C1)C(=O)O A50238 [0,1,0,0,1,0|1,0,0]=3 317 B12R1.43 N[C@@H](CC1=NC=CC=C1)C(=O)O A50249 [0,1,0,0,1,0|1,0,0]=3 318 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 D91915 [0,1,0,0,1,0|0,0,1]=3 319 B12R1.43 O=C(O)[C@@H](Br)CC1=CC=CC=C1 H11389 [0,1,0,0,1,0|0,0,0]=2 320 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 AC1610 [0,1,0,0,1,0|0,0,0]=2 321 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 FD1244 [0,1,0,0,1,0|0,0,0]=2 322 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 FD1250 [0,1,0,0,1,0|0,0,0]=2 323 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 77874 [0,1,0,0,1,0|1,0,1]=4 324 B12R1.107 CC(=O)N[C@@H](C)C1=CC=CC=C1 AC2474 [0,1,0,0,1,0|2,0,0]=4 325 B12R1.107 CC(=O)N[C@@H](C)C1=CC=CC=C1 C11678 [0,1,0,0,1,0|2,0,0]=4 326 B12R1.107 CN(CC(=O)O)C1=NC=CC=C1 31939 [0,1,0,0,1,0|2,0,0]=4 327 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 65104 [0,1,0,0,1,0|0,0,0]=2 328 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 65105 [0,1,0,0,1,0|0,0,0]=2 329 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 65106 [0,1,0,0,1,0|0,0,0]=2 330 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 F12097 [0,1,0,0,1,0|0,0,0]=2 331 B12R1.107 N[C@@H](CC(=O)O)C1=CN=CC=C1 FD1091 [0,1,0,0,1,0|1,0,0]=3 332 B12R1.107 N[C@@H](CC(=O)O)C1=CN=CC=C1 N12395 [0,1,0,0,1,0|1,0,0]=3 333 B12R1.107 O=C(O)C[C@H](O)C1=CC=CC=C1 FD1325 [0,1,0,0,1,0|0,0,0]=2 334 B12R1.125 CC1=C(CCC(=O)O)C=CC=C1 CL8849 [0,1,0,0,1,0|0,0,0]=2 335 B12R1.125 CC1=C(OCC(=O)O)C=CC=C1 S12092 [0,1,0,0,1,0|1,0,0]=3 336 B12R1.125 CC1=C(\C=C\C(=O)O)C=CC=C1 73977 [0,1,0,0,1,0|0,0,2]=4 337 B12R1.125 NC(=O)CCC1=C(O)C=CC=C1 D84146 [0,1,0,0,1,0|1,0,0]=3 338 B12R1.125 O=C(O)CCC1=C(Br)C=CC=C1 AB3202 [0,1,0,0,1,0|0,0,0]=2 339 B12R1.125 O=C(O)CCC1=C(Cl)C=CC=C1 75611 [0,1,0,0,1,0|0,0,0]=2 340 B12R1.125 O=C(O)CCC1=C(F)C=CC=C1 AB3822 [0,1,0,0,1,0|0,0,0]=2 341 B12R1.125 O=C(O)CCC1=C(I)C=CC=C1 S10171 [0,1,0,0,1,0|0,0,0]=2 342 B12R1.125 O=C(O)CCC1=C(O)C=CC=C1 F16128 [0,1,0,0,1,0|0,0,0]=2 343 B12R1.125 O=C(O)COC1=C(Cl)C=CC=C1 FD10490 [0,1,0,0,1,0|1,0,0]=3 344 B12R1.125 O=C(O)COC1=C(F)C=CC=C1 30753 [0,1,0,0,1,0|1,0,0]=3 345 B12R1.125 O=C(O)CSC1=C(Cl)C=CC=C1 C13412 [0,1,0,0,1,0|1,0,0]=3 346 B12R1.125 O=C(O)\C=C\C1=C(Br)C=CC=C1 28628 [0,1,0,0,1,0|0,0,2]=4 347 B12R1.125 O=C(O)\C=C\C1=C(Br)C=CC=C1 D73309 [0,1,0,0,1,0|0,0,2]=4 348 B12R1.125 O=C(O)\C=C\C1=C(Cl)C=CC=C1 AC7821 [0,1,0,0,1,0|0,0,2]=4 349 B12R1.125 O=C(O)\C=C\C1=C(F)C=CC=C1 AC7832 [0,1,0,0,1,0|0,0,2]=4 350 B12R1.125 O=C(O)\C=C\C1=C(O)C=CC=C1 42496 [0,1,0,0,1,0|0,0,2]=4 351 B12R1.226 CC1=CC=CC(CCC(=O)O)=C1 66560 [0,1,0,0,1,0|0,0,0]=2 352 B12R1.226 CC1=CC=CC(OCC(=O)O)=C1 F16054 [0,1,0,0,1,0|1,0,0]=3 353 B12R1.226 CC1=CC=CC(\C=C\C(=O)O)=C1 66558 [0,1,0,0,1,0|0,0,2]=4 354 B12R1.226 CC1=CC=CC(\C=C\C(=O)O)=C1 AC7519 [0,1,0,0,1,0|0,0,2]=4 355 B12R1.226 NC1=CC=CC(CCC(=O)O)=C1 I11525 [0,1,0,0,1,0|0,0,0]=2 356 B12R1.226 O=C(O)CCC1=CC(O)=CC=C1 33491 [0,1,0,0,1,0|0,0,0]=2 357 B12R1.226 O=C(O)CCC1=CC=CC(Br)=C1 33548 [0,1,0,0,1,0|0,0,0]=2 358 B12R1.226 O=C(O)CCC1=CC=CC(Cl)=C1 34301 [0,1,0,0,1,0|0,0,0]=2 359 B12R1.226 O=C(O)CCC1=CC=CC(F)=C1 61032 [0,1,0,0,1,0|0,0,0]=2 360 B12R1.226 O=C(O)COC1=CC=CC(Br)=C1 Y10997 [0,1,0,0,1,0|1,0,0]=3 361 B12R1.226 O=C(O)COC1=CC=CC(Cl)=C1 37702 [0,1,0,0,1,0|1,0,0]=3 362 B12R1.226 O=C(O)COC1=CC=CC(F)=C1 38120 [0,1,0,0,1,0|1,0,0]=3 363 B12R1.226 O=C(O)\C=C\C1=CC(O)=CC=C1 F15419 [0,1,0,0,1,0|0,0,2]=4 364 B12R1.226 O=C(O)\C=C\C1=CC=CC(Br)=C1 AB6441 [0,1,0,0,1,0|0,0,2]=4 365 B12R1.226 O=C(O)\C=C\C1=CC=CC(Cl)=C1 75802 [0,1,0,0,1,0|0,0,2]=4 366 B12R1.226 O=C(O)\C=C\C1=CC=CC(Cl)=C1 AC7822 [0,1,0,0,1,0|0,0,2]=4 367 B12R1.226 O=C(O)\C=C\C1=CC=CC(F)=C1 CK2538 [0,1,0,0,1,0|0,0,2]=4 368 B12R1.226 O=C(O)\C=C\C1=CC=CC(F)=C1 P19618 [0,1,0,0,1,0|0,0,2]=4 369 B12R1.891 O=S(=O)(Cl)CCC1=CC=CC=C1 CL8740 [0,1,0,0,1,0|1,0,1]=4 370 B12R1.891 O=S(=O)(O)CCC1=CC=NC=C1 D91950 [0,1,0,0,1,0|2,0,0]=4 371 B12R1.891 O=S(=O)(O)CCC1=NC=CC=C1 D91949 [0,1,0,0,1,0|2,0,0]=4 372 B12R1.54 O=C(O)CCC(=O)C1=CC=CS1 29394 [0,1,0,0,1,0|1,0,1]=4 373 B14R1.148 O=C(O)CCCOC1=CC=CC(Br)=C1 W16092 [0,1,0,0,0,1|0,0,0]=2 374 B14R1.420 O=C(O)CCCC(=O)C1=CC=CC=C1 39329 [0,1,0,0,0,1|0,0,0]=2 375 B14R1.420 O=C(O)CCNC(=O)C1=CC=CC=C1 D70180 [0,1,0,0,0,1|0,0,1]=3 376 B14R1.423 CC(=O)CCN(C)CC1=CC=CC=C1 55803 [0,1,0,0,0,1|1,0,0]=3 377 B14R1.423 CN(CCC(=O)O)CC1=CC=CC=C1 30978 [0,1,0,0,0,1|0,0,0]=2 378 B14R1.423 O=C(O)CCC(=O)NC1=CC=CC=C1 31650 [0,1,0,0,0,1|0,0,1]=3 379 B14R1.423 O=C(O)CNC(=O)CC1=CC=CC=C1 FD21616 [0,1,0,0,0,1|0,0,1]=3 380 B14R1.677 CC1=CC=C(CSCCC(=O)O)C=C1 I10972 [0,1,0,0,0,1|0,0,0]=2 381 B14R1.677 O=C(O)CCCCC1=CC=C(Br)C=C1 F20155 [0,1,0,0,0,1|0,0,0]=2 382 B14R1.677 O=C(O)CCCCC1=CC=C(F)C=C1 W10185 [0,1,0,0,0,1|0,0,0]=2 383 B14R1.677 O=C(O)CCCCC1=CC=C(O)C=C1 D82352 [0,1,0,0,0,1|0,0,0]=2 384 B14R1.677 O=C(O)CCCOC1=CC=C(Cl)C=C1 W16999 [0,1,0,0,0,1|0,0,0]=2 385 B14R1.716 COC(=O)CCCCC1=CC=CC=C1 D92108 [0,1,0,0,0,1|0,0,0]=2 386 B14R1.716 COC(=O)CCNCC1=CC=CC=C1 AB7459 [0,1,0,0,0,1|0,0,0]=2 387 B14R1.818 CC(=O)CC(=O)NCC1=CC=CC=C1 D77780 [0,1,0,0,0,1|1,0,1]=4 388 B14R1.818 CC(=O)CC(=O)OCC1=CC=CC=C1 F14832 [0,1,0,0,0,1|1,0,1]=4 389 B14R1.818 N[C@@H](CCC1=CC=CC=C1)CC(=O)O 62362 [0,1,0,0,0,1|0,0,0]=2 390 B14R1.818 O=C(O)CC(=O)OCC1=CC=CC=C1 74112 [0,1,0,0,0,1|0,0,1]=3 391 B14R1.6449 N[C@@H](CCCC1=CC=CC=C1)C(=O)O 78265 [0,1,0,0,0,1|0,0,0]=2 392 B14R1.6449 N[C@@H](CCCC1=CC=CC=C1)C(=O)O C74795 [0,1,0,0,0,1|0,0,0]=2 393 B14R1.6449 N[C@@H](CCCC1=CC=CC=C1)C(=O)O W15607 [0,1,0,0,0,1|0,0,0]=2 394 B14R1.6449 N[C@@H](COCC1=CC=CC=C1)C(=O)O 34417 [0,1,0,0,0,1|0,0,0]=2 395 B14R1.6449 N[C@@H](COCC1=CC=CC=C1)C(=O)O 53236 [0,1,0,0,0,1|0,0,0]=2 396 B14R1.6449 N[C@@H](COCC1=CC=CC=C1)C(=O)O C10808 [0,1,0,0,0,1|0,0,0]=2 397 B14R1.6449 N[C@@H](COCC1=CC=CC=C1)C(=O)O D95587 [0,1,0,0,0,1|0,0,0]=2 398 B14R1.6449 N[C@@H](COCC1=CC=CC=C1)C(=O)O I11103 [0,1,0,0,0,1|0,0,0]=2 399 B14R1.6449 N[C@@H](CSCC1=CC=CC=C1)C(=O)O FD21339 [0,1,0,0,0,1|0,0,0]=2 400 B14R1.6449 N[C@@H](C\C=C\C1=CC=CC=C1)C(=O)O A50114 [0,1,0,0,0,1|0,0,1]=3 401 B14R1.149 CC1=CC=CC(C(=O)NCC(=O)O)=C1 D85923 [0,2,0,0,0,0|1,0,1]=4 402 B14R1.149 O=C(O)CCC(=O)C1=CC=CC(Br)=C1 D82786 [0,2,0,0,0,0|0,0,1]=3 403 B14R1.149 O=C(O)CCC(=O)C1=CC=CC(F)=C1 AB9385 [0,2,0,0,0,0|0,0,1]=3 404 B14R1.149 O=C(O)CNC(=O)C1=CC(O)=CC=C1 62848 [0,2,0,0,0,0|1,0,1]=4 405 B14R1.160 CC1=C(C(=O)NCC(=O)O)C=CC=C1 D84129 [0,2,0,0,0,0|1,0,1]=4 406 B14R1.160 O=C(O)CNC(=O)C1=C(I)C=CC=C1 D91155 [0,2,0,0,0,0|1,0,1]=4 407 B14R1.163 COC(=O)CCC(=O)C1=CC=CC=C1 AB10050 [0,2,0,0,0,0|0,0,1]=3 408 B14R1.163 COC(=O)CNC(=O)C1=CC=CC=C1 L10157 [0,2,0,0,0,0|1,0,1]=4 409 B14R1.415 C[C@H](NC(=O)C1=CC=CC=C1)C(=O)O 20015 [0,2,0,0,0,0|1,0,1]=4 410 B14R1.415 C[C@H](NC(=O)C1=CC=CC=C1)C(=O)O FD21105 [0,2,0,0,0,0|1,0,1]=4 411 B14R1.415 N[C@@H](CC(=O)C1=CC=CC=C1)C(=O)O O10213 [0,2,0,0,0,0|0,0,1]=3 412 B14R1.417 CN(CC(=O)O)C(=O)C1=CC=CC=C1 W18743 [0,2,0,0,0,0|1,0,1]=4 413 B14R1.678 CC1=CC=C(C(=O)CCC(=O)O)C=C1 S10915 [0,2,0,0,0,0|0,0,1]=3 414 B14R1.678 CC1=CC=C(C(=O)NCC(=O)O)C=C1 D95330 [0,2,0,0,0,0|1,0,1]=4 415 B14R1.678 NC1=CC=C(C(=O)NCC(=O)O)C=C1 D88242 [0,2,0,0,0,0|1,0,1]=4 416 B14R1.678 O=C(O)CCC(=O)C1=CC=C(Br)C=C1 55649 [0,2,0,0,0,0|0,0,1]=3 417 B14R1.678 O=C(O)CCC(=O)C1=CC=C(Cl)C=C1 D89379 [0,2,0,0,0,0|0,0,1]=3 418 B14R1.678 O=C(O)CCC(=O)C1=CC=C(F)C=C1 AB3821 [0,2,0,0,0,0|0,0,1]=3 419 B14R1.678 O=C(O)CNC(=O)C1=CC=C(Cl)C=C1 C72366 [0,2,0,0,0,0|1,0,1]=4 420 B14R1.813 O=C(O)CCS(=O)(=O)C1=CC=CC=C1 13003 [0,2,0,0,0,0|1,0,0]=3 421 B14R1.813 O=C(O)CC[P@@](=O)(O)C1=CC=CC=C1 F14952 [0,2,0,0,0,0|1,0,0]=3 422 B14R1.76 COC1=CC=CC(OCCC(=O)O)=C1 30564 [0,2,0,0,0,0|1,0,0]=3 423 B14R1.76 N#CC1=CC=CC(OCCC(=O)O)=C1 AC1670 [0,2,0,0,0,0|1,0,0]=3 424 B14R1.687 O=C(O)CNCC1=CC(Cl)=C(Cl)C=C1 C74357 [0,2,0,0,0,0|1,0,0]=3 425 B14R1.5978 N[C@@H](CC(=O)O)CC1=CC=CC(Cl)=C1 FD10036 [0,2,0,0,0,0|0,0,0]=2 426 B14R1.96 COC1=C(CCCC(=O)O)C=CC=C1 T72313 [0,2,0,0,0,0|0,0,0]=2 427 B14R1.96 COC1=C(OCCC(=O)O)C=CC=C1 AC1664 [0,2,0,0,0,0|1,0,0]=3 428 B14R1.837 COC(=O)CCCC1=C(O)C=CC=C1 D83920 [0,2,0,0,0,0|0,0,0]=2 429 B14R1.4464 CC1=CC(C)=C(NCCC(=O)O)C=C1 W18279 [0,2,0,0,0,0|1,0,0]=3 430 B14R1.4464 O=C(O)CCOC1=C(F)C=C(F)C=C1 D83307 [0,2,0,0,0,0|1,0,0]=3 431 B14R1.4464 O=C(O)C\C=C\C1=C(F)C=C(F)C=C1 AB9091 [0,2,0,0,0,0|0,0,2]=4 432 B14R1.425 N[C@H](CC1=CC=CC=C1)[C@H](O)C(=O)O W18729 [0,2,0,0,0,0|0,0,0]=2 433 B14R1.698 N[C@@H](CC(=O)O)CC1=CC=C(Br)C=C1 77808 [0,2,0,0,0,0|0,0,0]=2 434 B14R1.698 N[C@@H](CC(=O)O)CC1=CC=C(Cl)C=C1 77809 [0,2,0,0,0,0|0,0,0]=2 435 B14R1.743 COC(=O)CC(=O)CC1=CC=CC=C1 AB7590 [0,2,0,0,0,0|0,0,1]=3 436 B14R1.1485 CC(=O)OC(C)(C)CC1=CC=CC=C1 D88304 [0,2,0,0,0,0|2,0,0]=4 437 B14R1.756 COC(=O)[C@H](C)NCC1=CC=CC=C1 I10608 [0,2,0,0,0,0|1,0,0]=3 438 B14R1.4194 O=C(O)[C@H](CO)NCC1=CC=CC=C1 53684 [0,2,0,0,0,0|1,0,0]=3 439 B14R1.4194 O=C(O)[C@H](CO)NCC1=CC=CC=C1 AB10356 [0,2,0,0,0,0|1,0,0]=3 440 B14R1.4194 O=C(O)[C@H](CO)NCC1=CC=CC=C1 AB8099 [0,2,0,0,0,0|1,0,0]=3 441 B14R1.4 CCC1=CC=C(CCCC(=O)O)C=C1 N12226 [0,2,0,0,0,0|0,0,0]=2 442 B14R1.4 COC1=CC=C(CCCC(=O)O)C=C1 28341 [0,2,0,0,0,0|0,0,0]=2 443 B14R1.4 COC1=CC=C(COCC(=O)O)C=C1 F21242 [0,2,0,0,0,0|1,0,0]=3 444 B14R1.4 COC1=CC=C(OCCC(=O)O)C=C1 84087 [0,2,0,0,0,0|1,0,0]=3 445 B14R1.4 O=C(O)CCOC1=CC=C(CO)C=C1 AT13194 [0,2,0,0,0,0|1,0,0]=3 446 B14R1.520 CCOC(=O)CCCC1=CC=CC=C1 AR3071 [0,2,0,0,0,0|0,0,0]=2 447 B14R1.520 CCOC(=O)CCNC1=NC=CC=C1 SC3891 [0,2,0,0,0,0|2,0,0]=4 448 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 26430 [0,2,0,0,0,0|1,0,0]=3 449 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 26460 [0,2,0,0,0,0|1,0,0]=3 450 B14R1.520 CCOC(=O)COCC1=CC=CC=C1 30644 [0,2,0,0,0,0|1,0,0]=3 451 B14R1.520 CCOC(=O)NCCC1=CC=CC=C1 25121 [0,2,0,0,0,0|1,0,0]=3 452 B14R1.520 CCOC(=O)NOCC1=CC=CC=C1 W12967 [0,2,0,0,0,0|2,0,0]=4 453 B12R2.1 O=CN1CCC2=C1C=CC=C2 Y13562 [1,0,0,1,0,0|1,0,0]=3 454 B12R2.1 O\N=C1/CCC2=C1C=CC=C2 71087 [1,0,0,1,0,0|1,0,1]=4 455 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 23433 [1,0,0,1,0,0|1,0,1]=4 456 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 59897 [1,0,0,1,0,0|1,0,1]=4 457 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 AR1028 [1,0,0,1,0,0|1,0,1]=4 458 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 65218 [1,0,0,1,0,0|2,0,0]=4 459 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 69527 [1,0,0,1,0,0|2,0,0]=4 460 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 69530 [1,0,0,1,0,0|2,0,0]=4 461 B12R2.41 C1=CC2=C(C=C1)CNCCC2 26520 [1,0,0,1,0,0|2,0,0]=4 462 B12R2.41 C1=CC2=C(C=C1)NCCCC2 28041 [1,0,0,1,0,0|1,0,1]=4 463 B12R2.41 C1=CC2=C(C=C1)OCCCO2 29488 [1,0,0,1,0,0|1,0,1]=4 464 B12R2.1081 CC1=NCCC2=C1C=CC=C2 63594 [1,0,0,1,0,0|2,0,0]=4 465 B12R2.1081 CN1CCCC2=C1C=CC=C2 F13268 [1,0,0,1,0,0|2,0,0]=4 466 B12R2.1081 N[C@H]1CCCC2=C1C=CC=C2 52172 [1,0,0,1,0,0|1,0,1]=4 467 B12R2.1081 N[C@H]1CCCC2=C1C=CC=C2 52173 [1,0,0,1,0,0|1,0,1]=4 468 B12R2.1081 N[C@H]1CCCC2=C1C=CC=C2 F13060 [1,0,0,1,0,0|1,0,1]=4 469 B12R2.1081 N[C@H]1CCCC2=C1C=CC=C2 F16883 [1,0,0,1,0,0|1,0,1]=4 470 B12R2.1081 O=C1CCCC2=C1C=CC=C2 P16483 [1,0,0,1,0,0|0,0,0]=2 471 B12R2.1081 O=C1CCCC2=C1C=CC=N2 66292 [1,0,0,1,0,0|1,0,0]=3 472 B12R2.1081 O=C1CCCC2=C1C=NC=C2 F12462 [1,0,0,1,0,0|1,0,0]=3 473 B12R2.1081 O=C1CCCC2=CC=CN=C12 58440 [1,0,0,1,0,0|1,0,0]=3 474 B12R2.1081 O=C1CCNC2=C1C=CC=C2 23896 [1,0,0,1,0,0|1,0,0]=3 475 B12R2.1081 O=C1CCNC2=C1C=CC=C2 SC3441 [1,0,0,1,0,0|1,0,0]=3 476 B12R2.1081 O=C1CCOC2=C1C=CC=C2 30320 [1,0,0,1,0,0|1,0,0]=3 477 B12R2.1081 O=C1CCSC2=C1C=CC=C2 F31314 [1,0,0,1,0,0|1,0,0]=3 478 B12R2.1081 O=C1COCC2=C1C=CC=C2 25671 [1,0,0,1,0,0|1,0,0]=3 479 B12R2.1081 O=C1CSCC2=C1C=CC=C2 D73303 [1,0,0,1,0,0|1,0,0]=3 480 B12R2.1081 O=C1NCCC2=C1C=CC=C2 25054 [1,0,0,1,0,0|1,0,0]=3 481 B12R2.1081 O=C1NCCC2=CC=CN=C12 N10641 [1,0,0,1,0,0|2,0,0]=4 482 B12R2.1081 O=C1OCCC2=C1C=CC=C2 23770 [1,0,0,1,0,0|1,0,0]=3 483 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 73935 [1,0,0,1,0,0|0,0,1]=3 484 B12R2.1081 O[C@H]1CCCC2=CC=CN=C21 66602 [1,0,0,1,0,0|1,0,1]=4 485 B12R2.2057 C1=CC=C(OC[C@H]2CO2)C=C1 F53321 [1,0,0,1,0,0|1,0,1]=4 486 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 75897 [0,0,0,1,1,0|1,0,0]=3 487 B12R2.24 O=C1C=CC2=C(C=CC=C2)O1 D81844 [0,0,0,1,1,0|0,0,2]=4 488 B12R2.24 O=C1CC2=C(C=CC=C2)CO1 71053 [0,0,0,1,1,0|2,0,0]=4 489 B12R2.24 O=C1CCC2=C(C=CC=C2)C1 22566 [0,0,0,1,1,0|1,0,0]=3 490 B12R2.24 O=C1CCC2=C(C=CC=C2)N1 64816 [0,0,0,1,1,0|1,0,0]=3 491 B12R2.24 O=C1CCC2=C(C=CC=C2)O1 D70234 [0,0,0,1,1,0|0,0,0]=2 492 B12R2.24 O=C1CCN2C=CC=CC2=N1 77967 [0,0,0,1,1,0|2,0,0]=4 493 B12R2.24 O=C1CNC2=C(C=CC=C2)N1 69683 [0,0,0,1,1,0|2,0,0]=4 494 B12R2.24 O=C1COC2=C(C=CC=C2)N1 64814 [0,0,0,1,1,0|2,0,0]=4 495 B12R2.24 O=C1COC2=C(C=CC=C2)O1 W17423 [0,0,0,1,1,0|1,0,0]=3 496 B12R2.24 O=C1CSC2=C(C=CC=C2)C1 Y10089 [0,0,0,1,1,0|2,0,0]=4 497 B12R2.24 O=C1CSC2=C(C=CC=C2)N1 F19976 [0,0,0,1,1,0|2,0,0]=4 498 B12R2.24 O[C@H]1CCC2=C(C=CC=C2)C1 94674 [0,0,0,1,1,0|1,0,1]=4 499 B12R2.3190 O=C(O)[C@@H]1CC2=C1C=CC=C2 67881 [0,0,0,1,1,0|0,0,0]=2 500 B12R2.114 O=C1CCCC2=C(C=CS2)N1 27824 [0,0,0,1,1,0|2,0,0]=4 501 B14R2.2 O=C(O)CC1=CNC2=C1C=CC=C2 25122 [0,0,0,1,0,1|0,0,2]=4 502 B14R2.2 O=C(O)CC1=COC2=C1C=CC=C2 24939 [0,0,0,1,0,1|0,0,2]=4 503 B14R2.2 O=C(O)CC1=CSC2=C1C=CC=C2 F13984 [0,0,0,1,0,1|0,0,2]=4 504 B14R2.2 O=C(O)CC1=NNC2=C1C=CC=C2 29465 [0,0,0,1,0,1|1,0,1]=4 505 B14R2.2 O=C(O)CC1=NOC2=C1C=CC=C2 28425 [0,0,0,1,0,1|1,0,1]=4 506 B14R2.2 O=C(O)CN1C=CC2=C1C=CC=C2 77171 [0,0,0,1,0,1|0,0,2]=4 507 B14R2.2 O=C(O)CN1C=NC2=C1C=CC=C2 F17331 [0,0,0,1,0,1|1,0,1]=4 508 B14R2.2 O=C(O)CN1CCC2=C1C=CC=C2 W11742 [0,0,0,1,0,1|0,0,0]=2 509 B14R2.2 O=C(O)CN1N=NC2=C1C=CC=C2 20616 [0,0,0,1,0,1|2,0,0]=4 510 B14R2.19 O=C1CCN(CC2=CC=CC=C2)C1 53982 [0,0,0,1,0,1|1,0,0]=3 511 B14R2.19 O=C1C[C@H](CC2=CC=CC=C2)CO1 I11257 [0,0,0,1,0,1|1,0,0]=3 512 B14R2.19 O=C1N[C@@H](CC2=CC=CC=C2)CO1 26562 [0,0,0,1,0,1|1,0,0]=3 513 B14R2.19 O=C1N[C@@H](CC2=CC=CC=C2)CO1 26565 [0,0,0,1,0,1|1,0,0]=3 514 B14R2.19 O[C@H]1CCN(CC2=CC=CC=C2)C1 26446 [0,0,0,1,0,1|1,0,1]=4 515 B14R2.19 O[C@H]1CCN(CC2=CC=CC=C2)C1 26449 [0,0,0,1,0,1|1,0,1]=4 516 B14R2.19 O[C@H]1CCN(CC2=CC=CC=C2)C1 26450 [0,0,0,1,0,1|1,0,1]=4 517 B14R2.19 S=C1N[C@@H](CC2=CC=CC=C2)CS1 65775 [0,0,0,1,0,1|1,1,0]=4 518 B14R2.19 S=C1N[C@@H](CC2=CC=CC=C2)CS1 65778 [0,0,0,1,0,1|1,1,0]=4 519 B14R2.21 O=C1CCC[C@H](C2=CC=CC=C2)C1 53410 [0,0,0,1,0,1|1,0,0]=3 520 B14R2.21 O=C1COC[C@@H](C2=CC=CC=C2)N1 20399 [0,0,0,1,0,1|1,0,0]=3 521 B14R2.21 O=C1COC[C@@H](C2=CC=CC=C2)N1 F50348 [0,0,0,1,0,1|1,0,0]=3 522 B14R2.21 O=C1COC[C@@H](C2=CC=CC=C2)N1 F52521 [0,0,0,1,0,1|1,0,0]=3 523 B14R2.21 OC1CCOC(C2=CC=CC=C2)C1 75598 [0,0,0,1,0,1|1,0,1]=4 524 B14R2.333 O=S1(=O)CCCN1C2=CC=CC=C2 D84372 [0,0,0,1,0,1|1,0,1]=4 525 B14R2.436 O=C1CC(OCC2=CC=CC=C2)C1 80846 [0,0,0,1,0,1|1,0,0]=3 526 B14R2.436 OC1CC(OCC2=CC=CC=C2)C1 80845 [0,0,0,1,0,1|1,0,1]=4 527 B14R2.436 O[C@H]1C[C@@H](OCC2=CC=CC=C2)C1 P15671 [0,0,0,1,0,1|1,0,1]=4 528 B14R2.31359 CC(=O)N1CCCC2=C1C=CC=C2 D88460 [0,0,0,1,0,1|1,0,0]=3 529 B14R2.31359 O=C(O)[C@@H]1CCCC2=C1C=CC=C2 34029 [0,0,0,1,0,1|0,0,0]=2 530 B14R2.31359 O=C(O)[C@@H]1CCCC2=C1C=CC=C2 CK2436 [0,0,0,1,0,1|0,0,0]=2 531 B14R2.31359 O=C(O)[C@@H]1CCCC2=C1C=CC=C2 H11405 [0,0,0,1,0,1|0,0,0]=2 532 B14R2.31359 O=C(O)[C@@H]1NCCC2=C1C=CC=C2 35716 [0,0,0,1,0,1|0,0,0]=2 533 B14R2.31359 O=C(O)[C@@H]1NCCC2=C1C=CC=C2 66642 [0,0,0,1,0,1|0,0,0]=2 534 B14R2.31359 O=C(O)[C@@H]1OCCC2=C1C=CC=C2 AR3056 [0,0,0,1,0,1|0,0,0]=2 535 B14R2.68 O=C1CCC(C2=CC=CC=C2)CC1 84301 [0,1,0,1,0,0|1,0,0]=3 536 B14R2.68 O=C1CCN(C2=CC=CC=C2)CC1 65144 [0,1,0,1,0,0|2,0,0]=4 537 B14R2.68 O[C@H]1CC[C@@H](C2=CC=CC=C2)CC1 D80500 [0,1,0,1,0,0|1,0,1]=4 538 B14R2.779 O=C(O)C1CC(C2=CC=CC=C2)C1 P10204 [0,1,0,1,0,0|0,0,0]=2 539 B14R2.25733 O=C1C[C@@H](C(=O)O)C2=C1C=CC=C2 75893 [0,1,0,1,0,0|0,0,1]=3 540 B14R2.29285 N[C@H]1CCS(=O)(=O)C2=C1C=CC=C2 AT21613 [0,1,0,1,0,0|1,0,1]=4 541 B14R2.300 CC(=O)N1CCC2=C1C=CC(Br)=C2 D86146 [0,1,0,1,0,0|2,0,0]=4 542 B14R2.300 CC(=O)N1CCC2=C1C=CC(O)=C2 O10306 [0,1,0,1,0,0|2,0,0]=4 543 B14R2.4476 O=C(O)C1CC1C2=CC=CC(Br)=C2 Y10740 [0,1,0,1,0,0|0,0,0]=2 544 B14R2.4476 O=C(O)C1CC1C2=CC=CC(F)=C2 Y10102 [0,1,0,1,0,0|0,0,0]=2 545 B14R2.7974 NC1=CC2=C(C=C1)NC(=O)CCC2 83452 [0,1,0,1,0,0|1,0,0]=3 546 B14R2.768 O=C(O)CC1=NC2=C(C=CC=C2)N1 71276 [0,1,0,1,0,0|1,0,1]=4 547 B14R2.768 O=C(O)CC1CC2=C(C=CC=C2)C1 71084 [0,1,0,1,0,0|0,0,0]=2 548 B14R2.768 O=C(O)CN1N=C2C=CC=CC2=N1 D84581 [0,1,0,1,0,0|2,0,0]=4 549 B14R2.781 O=C(O)C1=CC2=C(C=CC=C2)OC1 78553 [0,1,0,1,0,0|1,0,1]=4 550 B14R2.781 O=C(O)[C@@H]1CC2=C(C=CC=C2)CN1 11906 [0,1,0,1,0,0|1,0,0]=3 551 B14R2.781 O=C(O)[C@@H]1CC2=C(C=CC=C2)CN1 22847 [0,1,0,1,0,0|1,0,0]=3 552 B14R2.781 O=C(O)[C@@H]1CC2=C(C=CC=C2)CN1 29631 [0,1,0,1,0,0|1,0,0]=3 553 B14R2.781 O=C(O)[C@@H]1CC2=C(C=CC=C2)CN1 36675 [0,1,0,1,0,0|1,0,0]=3 554 B14R2.781 O=C(O)[C@@H]1CC2=C(C=CC=C2)CN1 88182 [0,1,0,1,0,0|1,0,0]=3 555 B14R2.781 O=C(O)[C@@H]1CC2=C(C=CC=C2)CO1 D83358 [0,1,0,1,0,0|1,0,0]=3 556 B14R2.781 O=C(O)[C@@H]1CCC2=C(C=CC=C2)N1 66617 [0,1,0,1,0,0|0,0,0]=2 557 B14R2.781 O=C(O)[C@@H]1CCC2=C(C=CC=C2)O1 50343 [0,1,0,1,0,0|0,0,0]=2 558 B14R2.781 O=C(O)[C@@H]1CNC2=C(C=CC=C2)C1 28819 [0,1,0,1,0,0|1,0,0]=3 559 B14R2.781 O=C(O)[C@@H]1COC2=C(C=CC=C2)C1 85681 [0,1,0,1,0,0|1,0,0]=3 560 B14R2.781 O=C(O)[C@@H]1COC2=C(C=CC=C2)O1 26435 [0,1,0,1,0,0|1,0,0]=3 561 B14R2.781 O=C(O)[C@@H]1COC2=C(C=CC=C2)O1 60390 [0,1,0,1,0,0|1,0,0]=3 562 B14R2.5443 O=C(O)C1CC1C2=C(Cl)C=CC=C2 P11276 [0,1,0,1,0,0|0,0,0]=2 563 B14R2.5443 O=C(O)C1CC1C2=C(F)C=CC=C2 20329 [0,1,0,1,0,0|0,0,0]=2 564 B14R2.598 C[C@@H]1NC(=O)O[C@@H]1C2=CC=CC=C2 29001 [0,1,0,1,0,0|1,0,0]=3 565 B14R2.598 C[C@@H]1NC(=O)O[C@@H]1C2=CC=CC=C2 31189 [0,1,0,1,0,0|1,0,0]=3 566 B14R2.260 C[C@@H]1N=C(C2=CC=CC=C2)OC1=O M59390 [0,1,0,1,0,0|1,0,1]=4 567 B14R2.260 C[C@H]1CN(C2=CC=CC=C2)NC1=O O11260 [0,1,0,1,0,0|2,0,0]=4 568 B14R2.741 N[C@H]1CCC2=C(C=CC=C2)NC1=O 20128 [0,1,0,1,0,0|1,0,0]=3 569 B14R2.741 O=C1NC2=C(C=CC=C2)CC[C@@H]1Br 21718 [0,1,0,1,0,0|1,0,0]=3 570 B14R2.741 O=C1NC2=C(C=CC=C2)CC[C@@H]1Cl F13563 [0,1,0,1,0,0|1,0,0]=3 571 B14R2.9535 N[C@]1(C(=O)O)CCC2=C1C=CC=C2 F30625 [0,1,0,1,0,0|0,0,0]=2 572 B14R2.380 NC1=CC2=C(C=C1)CCCC(=O)N2 51452 [0,1,0,1,0,0|1,0,0]=3 573 B14R2.4402 O=C(O)C1CC1C2=CC=C(Cl)C=C2 82981 [0,1,0,1,0,0|0,0,0]=2 574 B14R2.4402 O=C(O)C1CC1C2=CC=C(F)C=C2 20313 [0,1,0,1,0,0|0,0,0]=2 575 B14R2.4402 O=C(O)[C@H]1C[C@@H]1C2=CN=C(Br)C=C2 P16412 [0,1,0,1,0,0|1,0,0]=3 576 B14R2.5816 CC(=O)N1CCC2=C1C=C(N)C=C2 50344 [0,1,0,1,0,0|2,0,0]=4 577 B14R2.95 COC(=O)[C@@H]1CNC2=C1C=CC=C2 AB9733 [0,1,0,1,0,0|1,0,0]=3 578 B14R2.95 O=C(CCl)N1CCC2=C1C=CC=C2 71107 [0,1,0,1,0,0|2,0,0]=4 579 B10R1.18 CC(=O)CC1=CC=NC=C1 32302 [0,0,0,0,2,0|2,0,0]=4 580 B10R1.18 CC(=O)CC1=CC=NC=C1 65526 [0,0,0,0,2,0|2,0,0]=4 581 B10R1.18 CC(=O)CC1=NC=CC=C1 65544 [0,0,0,0,2,0|2,0,0]=4 582 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 D88335 [0,0,0,0,2,0|2,0,0]=4 583 B10R1.18 CC(=O)OC1=CC=CC=C1 D88203 [0,0,0,0,2,0|2,0,0]=4 584 B10R1.18 CC(=O)SC1=CC=CC=C1 H12050 [0,0,0,0,2,0|2,0,0]=4 585 B10R1.18 C[C@H](O)CC1=CC=CC=C1 D71014 [0,0,0,0,2,0|1,0,1]=4 586 B10R1.18 NC(=O)CC1=CC=CC=C1 20020 [0,0,0,0,2,0|1,0,0]=3 587 B10R1.18 NC(=O)CC1=CN=CC=C1 F30204 [0,0,0,0,2,0|2,0,0]=4 588 B10R1.18 NC(=O)C[N+]1=CC=CC=C1 D87783 [0,0,0,0,2,0|2,0,0]=4 589 B10R1.18 NC(=O)NC1=CC=CC=C1 C11241 [0,0,0,0,2,0|2,0,0]=4 590 B10R1.18 NC(=O)OC1=CC=CC=C1 81483 [0,0,0,0,2,0|2,0,0]=4 591 B10R1.18 O=C(Cl)CC1=CC=CC=C1 S11991 [0,0,0,0,2,0|1,0,0]=3 592 B10R1.18 O=C(O)CC1=CC=CC=C1 A12791 [0,0,0,0,2,0|0,0,0]=2 593 B10R1.18 O=C(O)CC1=CC=NC=C1 65460 [0,0,0,0,2,0|1,0,0]=3 594 B10R1.18 O=C(O)CC1=CC=NC=C1 65461 [0,0,0,0,2,0|1,0,0]=3 595 B10R1.18 O=C(O)CC1=CN=CC=C1 23119 [0,0,0,0,2,0|1,0,0]=3 596 B10R1.18 O=C(O)CC1=CN=CC=C1 28500 [0,0,0,0,2,0|1,0,0]=3 597 B10R1.18 O=C(O)CC1=NC=CC=C1 31161 [0,0,0,0,2,0|1,0,0]=3 598 B10R1.18 O=C(O)CC1=NC=CC=N1 29338 [0,0,0,0,2,0|2,0,0]=4 599 B10R1.18 O=C(O)CC1=NC=CN=C1 69865 [0,0,0,0,2,0|2,0,0]=4 600 B10R1.18 O=C(O)C[N+]1=CC=CC=C1 D85775 [0,0,0,0,2,0|1,0,0]=3 601 B10R1.66 O=C(O)CCC1=CC=CO1 68597 [0,0,0,0,2,0|1,0,0]=3 602 B10R1.66 O=C(O)CCC1=CNC=N1 78777 [0,0,0,0,2,0|2,0,0]=4 603 B10R1.66 O=C(O)CCC1=CSC=C1 W13262 [0,0,0,0,2,0|1,0,0]=3 604 B10R1.66 O=C(O)CCN1C=CC=C1 30775 [0,0,0,0,2,0|1,0,0]=3 605 B10R1.66 O=C(O)CCN1C=CN=C1 25902 [0,0,0,0,2,0|2,0,0]=4 606 B10R1.66 O=C(O)CCN1C=CN=C1 D83559 [0,0,0,0,2,0|2,0,0]=4 607 B14R1.422 O=C(O)CCCCCC1=CC=CC=C1 92620 [0,0,0,0,0,2|0,0,0]=2 608 B14R1.422 O=C(O)CCCOCC1=CC=CC=C1 78641 [0,0,0,0,0,2|0,0,0]=2 609 B14R1.422 O=[N+]([O-])CCCCNC1=CC=CC=C1 Y10787 [0,0,0,0,0,2|1,0,1]=4