0 B12R1.125 CC(=O)SCC1=C(Cl)C=CC=C1 W11173 [0,0,0,0,0,0|3,0,1]=4 1 B12R1.125 NC1=C(CCC(=O)O)C=CC=C1 F52868 [0,0,0,0,0,0|1,0,2]=3 2 B12R1.125 NC1=C(\C=C\C(=O)O)C=CC=N1 V10202 [0,0,0,0,0,0|2,0,0]=2 3 B12R1.125 O=C(O)CCN1C=CC=CC1=O O10863 [0,0,0,0,0,0|1,0,3]=4 4 B12R1.125 O=C(O)CNC1=C(Br)C=CC=C1 CL8802 [0,0,0,0,0,0|2,0,1]=3 5 B12R1.125 O=C(O)CNC1=C(F)C=CC=C1 61030 [0,0,0,0,0,0|2,0,1]=3 6 B12R1.125 O=C(O)CSC1=C(Br)C=CC=C1 AT20945 [0,0,0,0,0,0|2,0,1]=3 7 B12R1.125 O=C(O)CSC1=C(O)C=CC=C1 AT20931 [0,0,0,0,0,0|1,0,1]=2 8 B11R1.17 O=C\C=C\C1=C(Br)C=CC=C1 W16727 [1,0,0,0,0,0|1,0,0]=2 9 B11R1.17 O=C\C=C\C1=C(O)C=CC=C1 D90980 [1,0,0,0,0,0|0,0,0]=1 10 B11R1.91 O=C(O)CSC1=NC=CC=C1 AT20604 [1,0,0,0,0,0|2,0,1]=4 11 B13R1.150 CC1=C(F)C=CC=C1CCC(=O)O F52892 [0,1,0,0,0,0|1,0,2]=4 12 B13R1.150 O=C(O)CCC1=C(O)C(O)=CC=C1 C78169 [0,1,0,0,0,0|0,0,2]=3 13 B13R1.150 O=C(O)CCC1=CC=CC(Br)=C1Cl 95973 [0,1,0,0,0,0|1,0,2]=4 14 B13R1.150 O=C(O)CCC1=CC=CC(Cl)=C1F Y11513 [0,1,0,0,0,0|1,0,2]=4 15 B13R1.150 O=C(O)CCC1=CC=CC(Cl)=C1I 93251 [0,1,0,0,0,0|1,0,2]=4 16 B13R1.150 O=C(O)CCC1=CC=CC(O)=C1Br F52920 [0,1,0,0,0,0|1,0,2]=4 17 B13R1.150 O=C(O)\C=C\C1=CC=CC(Br)=C1Cl 95972 [0,1,0,0,0,0|1,0,0]=2 18 B13R1.150 O=C(O)\C=C\C1=CC=CC(Br)=C1F 95993 [0,1,0,0,0,0|1,0,0]=2 19 B13R1.150 O=C(O)\C=C\C1=CC=CC(Cl)=C1Cl C78035 [0,1,0,0,0,0|1,0,0]=2 20 B13R1.164 CC1=C(CCC(=O)O)C=CC(Br)=C1 F52885 [0,1,0,0,0,0|1,0,2]=4 21 B13R1.164 CC1=C(CCC(=O)O)C=CC(Cl)=C1 F52883 [0,1,0,0,0,0|1,0,2]=4 22 B13R1.164 CC1=C(OCC(=O)O)C=CC(F)=C1 Y10252 [0,1,0,0,0,0|2,0,1]=4 23 B13R1.164 CC1=CC(C)=C(SCC(=O)O)C=C1 AT20937 [0,1,0,0,0,0|2,0,1]=4 24 B13R1.164 CC1=CC(Cl)=C(CCC(=O)O)C=C1 F52923 [0,1,0,0,0,0|1,0,2]=4 25 B13R1.164 O=C(O)CCC1=C(Br)C=C(Cl)C=C1 F52880 [0,1,0,0,0,0|1,0,2]=4 26 B13R1.164 O=C(O)CCC1=C(F)C=C(O)C=C1 F13493 [0,1,0,0,0,0|1,0,2]=4 27 B13R1.164 O=C(O)COC1=C(Cl)C=C(O)C=C1 CL4127 [0,1,0,0,0,0|2,0,1]=4 28 B13R1.164 O=C(O)COC1=C(F)C=C(F)C=C1 A12491 [0,1,0,0,0,0|2,0,1]=4 29 B13R1.164 O=C(O)\C=C\C1=C(Cl)C=C(O)C=C1 75498 [0,1,0,0,0,0|1,0,0]=2 30 B13R1.164 O=C(O)\C=C\C1=C(O)C=C(O)C=C1 A12691 [0,1,0,0,0,0|0,0,0]=1 31 B13R1.164 O=[N+]([O-])\C=C\C1=C(Br)C=C(Cl)C=C1 W11256 [0,1,0,0,0,0|2,0,1]=4 32 B13R1.164 O=[N+]([O-])\C=C\C1=C(Br)C=C(F)C=C1 F21000 [0,1,0,0,0,0|2,0,1]=4 33 B13R1.201 CC(=O)CC(=O)C1=C(C)C=CC=C1 78540 [0,1,0,0,0,0|2,0,1]=4 34 B13R1.201 N[C@@H](CC(=O)O)C1=C(Cl)C=CC=C1 N13091 [0,1,0,0,0,0|1,0,2]=4 35 B13R1.201 N[C@@H](CC(=O)O)C1=C(F)C=CC=C1 N10811 [0,1,0,0,0,0|1,0,2]=4 36 B13R1.201 N[C@@H](CC(=O)O)C1=C(O)C=CC=C1 N12341 [0,1,0,0,0,0|0,0,2]=3 37 B13R1.202 C[C@H](OC1=C(F)C=CC=C1)C(=O)O C77967 [0,1,0,0,0,0|2,0,1]=4 38 B13R1.202 N[C@@H](CC1=C(I)C=CC=C1)C(=O)O 51256 [0,1,0,0,0,0|1,0,2]=4 39 B13R1.202 N[C@@H](CC1=C(I)C=CC=C1)C(=O)O 51262 [0,1,0,0,0,0|1,0,2]=4 40 B13R1.202 N[C@@H](CC1=C(I)C=CC=C1)C(=O)O 51268 [0,1,0,0,0,0|1,0,2]=4 41 B13R1.202 N[C@@H](CC1=C(O)C=CC=C1)C(=O)O N12180 [0,1,0,0,0,0|0,0,2]=3 42 B13R1.202 O=C(O)C(=O)CC1=C(Br)C=CC=C1 C91159 [0,1,0,0,0,0|1,0,1]=3 43 B13R1.202 [2H]C1=C(C[C@H](N)C(=O)O)C=CC=C1 D97891 [0,1,0,0,0,0|1,0,2]=4 44 B13R1.528 COC(=O)\C=C\C1=C(N)C=CC=C1 W18708 [0,1,0,0,0,0|1,0,0]=2 45 B13R1.893 CC1=C(CCC(=O)O)C=C(F)C=C1 F52899 [0,1,0,0,0,0|1,0,2]=4 46 B13R1.893 CC1=CC(CCC(=O)O)=C(F)C=C1 F52890 [0,1,0,0,0,0|1,0,2]=4 47 B13R1.893 CC1=CC(SCC(=O)O)=C(C)C=C1 AT20939 [0,1,0,0,0,0|2,0,1]=4 48 B13R1.893 O=C(O)CCC1=C(Br)C=CC(O)=C1 F52921 [0,1,0,0,0,0|1,0,2]=4 49 B13R1.893 O=C(O)CCC1=C(F)C=CC(F)=C1 F52863 [0,1,0,0,0,0|1,0,2]=4 50 B13R1.3787 CC1=CC=CC(C)=C1SCC(=O)O E72363 [0,1,0,0,0,0|2,0,1]=4 51 B13R2.435 CC(=O)C1=CN2C=CC=CC2=C1 F20741 [0,0,0,1,0,0|3,0,0]=4 52 B13R2.435 C[C@H](N)C1=CC2=C(C=CC=C2)O1 N14704 [0,0,0,1,0,0|2,0,1]=4 53 B13R2.435 C[C@H](N)C1=CC2=C(C=CC=C2)O1 N14705 [0,0,0,1,0,0|2,0,1]=4 54 B13R2.435 C[C@H](N)C1=CC2=C(C=CC=C2)O1 N14706 [0,0,0,1,0,0|2,0,1]=4 55 B13R2.435 C[C@H](O)C1=CC2=C(C=CC=C2)S1 71502 [0,0,0,1,0,0|1,1,1]=4 56 B13R2.435 O=C(O)C1=CC2=C(C=CC=N2)O1 D76647 [0,0,0,1,0,0|1,0,0]=2 57 B13R2.435 O=C(O)C1=CC2=C(C=NC=C2)N1 O10413 [0,0,0,1,0,0|2,0,0]=3 58 B13R2.435 O=C(O)C1=CC2=C(N=CC=C2)O1 AT21741 [0,0,0,1,0,0|1,0,0]=2 59 B13R2.435 O=C(O)C1=CC2=NC=CN=C2S1 F53481 [0,0,0,1,0,0|2,1,0]=4 60 B13R2.435 O=[S@]([O-])C1=CC2=C(C=CC=C2)O1 F14144 [0,0,0,1,0,0|1,0,1]=3 61 B13R2.5179 CC1=CC=C2C(O)=CC=CC2=N1 69653 [0,0,0,1,0,0|2,0,0]=3 62 B13R2.5179 CC1=NC2=CC=CC(C)=C2C=C1 AT13138 [0,0,0,1,0,0|3,0,0]=4 63 B13R2.5179 ClC1=C2C=CC(Br)=CC2=CC=C1 D86133 [0,0,0,1,0,0|3,0,0]=4 64 B13R2.5179 FC1=CC=C2C(Br)=CC=CC2=N1 91506 [0,0,0,1,0,0|3,0,0]=4 65 B13R2.5179 NC1=C2C=CC(Cl)=NC2=CC=C1 O10759 [0,0,0,1,0,0|3,0,0]=4 66 B13R2.5179 NC1=CC=C2C(O)=CC=NC2=N1 AT22588 [0,0,0,1,0,0|3,0,0]=4 67 B13R2.5179 NC1=CN=C2C(O)=CC=CC2=C1 80441 [0,0,0,1,0,0|3,0,0]=4 68 B13R2.5179 O=C1C=C2C=CC=C(Br)C2=CN1 P16671 [0,0,0,1,0,0|3,0,0]=4 69 B13R2.5179 O=C1C=C2C=CC=C(Cl)C2=CN1 D76504 [0,0,0,1,0,0|3,0,0]=4 70 B13R2.5179 O=C1C=CC2=C(Br)C=CC=C2O1 E70217 [0,0,0,1,0,0|1,0,0]=2 71 B13R2.5179 O=C1CCC2=C(C=CC=C2O)C1 88359 [0,0,0,1,0,0|1,0,2]=4 72 B13R2.5179 OC1=C2C=CC(F)=CC2=CC=N1 81072 [0,0,0,1,0,0|3,0,0]=4 73 B13R2.5179 OC1=NC=C2C(Br)=CC=CC2=C1 24374 [0,0,0,1,0,0|3,0,0]=4 74 B13R2.5179 [O-][N+]1=C2C=CC(O)=CC2=CC=C1 AC9845 [0,0,0,1,0,0|2,0,1]=4 75 B11R1.86 CC(=O)OC1=C(Br)C=CC=C1 F13222 [0,0,0,0,1,0|3,0,0]=4 76 B11R1.86 NC(=O)CC1=NC=CC=C1O D87092 [0,0,0,0,1,0|2,0,1]=4 77 B13R1.158 CC1=C(OCCC(=O)O)C=CC=C1 AC5730 [0,0,0,0,0,1|1,0,2]=4 78 B13R1.158 NC1=C(CCCC(=O)O)C=CC=C1 F17094 [0,0,0,0,0,1|1,0,2]=4 79 B13R1.158 O=C(O)CNCC1=C(Cl)C=CC=C1 W15239 [0,0,0,0,0,1|1,0,2]=4 80 B13R1.158 O=C(O)CNCC1=C(F)C=CC=C1 W16594 [0,0,0,0,0,1|1,0,2]=4 81 B13R1.158 O=C(O)C\C=C\C1=C(F)C=CC=C1 C11682 [0,0,0,0,0,1|1,0,0]=2 82 B10R1.4 CC1=C(CC=O)C=CC=C1 W16821 [2,0,0,0,0,0|1,0,1]=4 83 B10R1.4 O=CCC1=C(Cl)C=CC=C1 W16822 [2,0,0,0,0,0|1,0,1]=4 84 B10R1.17 NC\C=C\C1=CC=CC=C1 A12523 [2,0,0,0,0,0|1,0,1]=4 85 B10R1.17 O=CCOC1=CC=CC=C1 C15303 [2,0,0,0,0,0|1,0,1]=4 86 B10R1.17 O=C\C=C\C1=CC=NC=C1 T72403 [2,0,0,0,0,0|1,0,0]=3 87 B10R1.17 OC\C=C\C1=CC=NC=C1 AC1120 [2,0,0,0,0,0|1,0,1]=4 88 B12R1.121 O=CCCC1=C(CO)C=CC=C1 F19762 [1,1,0,0,0,0|0,0,2]=4 89 B12R1.1631 O=C\C=C\C1=C(F)C=CC=C1F 30455 [1,1,0,0,0,0|1,0,0]=3 90 B12R1.21 CC1=CC=C(C#CC(=O)O)C=C1 D77831 [1,1,0,0,0,0|0,0,2]=4 91 B12R1.21 CC1=CC=C(\C=C\C(N)=O)C=C1 H11524 [1,1,0,0,0,0|1,0,0]=3 92 B12R1.21 O=C(O)C#CC1=CC=C(Br)C=C1 T70657 [1,1,0,0,0,0|0,0,2]=4 93 B12R1.21 O=C(O)CSC1=CC=C(O)C=C1 AT20930 [1,1,0,0,0,0|1,0,1]=4 94 B12R1.27 NC(\C=C\C1=CC=CC=C1)=N/O W15444 [1,1,0,0,0,0|1,0,0]=3 95 B12R1.43 C\C(=C/C1=CN=CC=C1)C(=O)O E72369 [1,1,0,0,0,0|1,0,0]=3 96 B12R1.43 N[C@H]([13CH2]C1=CC=CC=C1)C(=O)O D99537 [1,1,0,0,0,0|0,0,2]=4 97 B12R1.43 [15NH2][C@@H](CC1=CC=CC=C1)C(=O)O 41399 [1,1,0,0,0,0|0,0,2]=4 98 B12R1.226 CC1=CC=CC(SCC(=O)O)=C1 AT20929 [1,1,0,0,0,0|1,0,1]=4 99 B12R1.226 OB(O)\C=C\C1=CC=CC(F)=C1 H12067 [1,1,0,0,0,0|1,0,1]=4 100 B12R1.75 COC1=C(CC(=O)Cl)C=CC=C1 F11411 [0,1,0,0,1,0|1,0,1]=4 101 B12R1.124 CC1=C([C@@H](N)C(=O)O)C=CC=C1 N12290 [0,1,0,0,1,0|1,0,1]=4 102 B12R1.124 CC1=C([C@@H](N)C(=O)O)C=CC=C1 N12294 [0,1,0,0,1,0|1,0,1]=4 103 B12R1.124 N[C@@H](C(=O)O)C1=C(O)C=CC=C1 A50300 [0,1,0,0,1,0|0,0,1]=3 104 B12R1.124 N[C@@H](C(=O)O)C1=C(O)C=CC=C1 D84116 [0,1,0,0,1,0|0,0,1]=3 105 B12R1.124 O=C(O)[C@H](F)C1=C(F)C=CC=C1 98563 [0,1,0,0,1,0|1,0,1]=4 106 B12R1.127 CC1=CC(CC(=O)O)=C(Cl)C=C1 D96279 [0,1,0,0,1,0|1,0,1]=4 107 B12R1.127 NC1=CC(CC(=O)O)=C(Cl)C=C1 C90866 [0,1,0,0,1,0|1,0,1]=4 108 B12R1.127 O=C(O)CC1=C(O)C=CC(O)=C1 T70932 [0,1,0,0,1,0|0,0,1]=3 109 B12R1.224 CC1=C(Br)C=CC=C1CC(=O)O CL9370 [0,1,0,0,1,0|1,0,1]=4 110 B12R1.224 CC1=C(Cl)C=CC=C1CC(=O)O C90794 [0,1,0,0,1,0|1,0,1]=4 111 B12R1.224 O=C(O)CC1=C(O)C(O)=CC=C1 C78025 [0,1,0,0,1,0|0,0,1]=3 112 B12R1.224 O=C(O)CC1=CC=CC(Br)=C1O 97767 [0,1,0,0,1,0|0,0,1]=3 113 B14R1.160 NC1=C(C(=O)NCC(=O)O)C=CC=C1 FD21635 [0,1,0,0,0,1|1,0,1]=4 114 B14R1.840 COC1=C([C@@H](N)CC(=O)O)C=CC=C1 A50423 [0,2,0,0,0,0|0,0,2]=4 115 B14R1.1600 COC1=C(CCC(=O)O)C=CC(Br)=C1 F52904 [0,2,0,0,0,0|0,0,2]=4 116 B14R1.1600 COC1=C(CCC(=O)O)C=CC(O)=C1 F18296 [0,2,0,0,0,0|0,0,2]=4 117 B14R1.1600 COC1=C(OCC(=O)O)C=CC(Br)=C1 AT13467 [0,2,0,0,0,0|1,0,1]=4 118 B14R1.1600 N#CC1=C(\C=C/C(=O)O)C=CC(O)=C1 F50385 [0,2,0,0,0,0|1,0,0]=3 119 B14R1.1865 COC1=C(CCC(=O)O)C=C(Cl)C=C1 F52902 [0,2,0,0,0,0|0,0,2]=4 120 B14R1.1865 COC1=NC=C(Br)C=C1\C=C\C(=O)O V10261 [0,2,0,0,0,0|1,0,0]=3 121 B14R1.3135 COC1=C(CC(=O)C(=O)O)C=CC=C1 C91207 [0,2,0,0,0,0|0,0,1]=3 122 B14R1.3135 COC1=C(C[C@H](N)C(=O)O)C=CC=C1 N10901 [0,2,0,0,0,0|0,0,2]=4 123 B14R1.3135 COC1=C(NC(=O)C(=O)O)C=CC=C1 AT24760 [0,2,0,0,0,0|1,0,0]=3 124 B14R1.81 COC1=CC=CC(\C=C\C(=O)O)=C1O D87803 [0,2,0,0,0,0|0,0,0]=2 125 B14R1.81 N#CC1=C(Cl)C(\C=C\C(=O)O)=CC=C1 95994 [0,2,0,0,0,0|1,0,0]=3 126 B14R1.81 N#CC1=C(F)C(\C=C\C(=O)O)=CC=C1 95997 [0,2,0,0,0,0|1,0,0]=3 127 B14R1.152 CC1=CC=CC([C@@H](N)CC(=O)O)=C1O N14769 [0,2,0,0,0,0|0,0,2]=4 128 B14R1.152 CC1=CC=CC([C@@H](N)CC(=O)O)=C1O N14770 [0,2,0,0,0,0|0,0,2]=4 129 B14R1.152 CC1=CC=CC([C@@H](N)CC(=O)O)=C1O N14771 [0,2,0,0,0,0|0,0,2]=4 130 B14R1.152 N[C@@H](CC(=O)O)C1=CC=CC(Br)=C1O N14753 [0,2,0,0,0,0|0,0,2]=4 131 B14R1.152 N[C@@H](CC(=O)O)C1=CC=CC(Br)=C1O N14754 [0,2,0,0,0,0|0,0,2]=4 132 B14R1.152 N[C@@H](CC(=O)O)C1=CC=CC(Cl)=C1O N14738 [0,2,0,0,0,0|0,0,2]=4 133 B14R1.152 N[C@@H](CC(=O)O)C1=CC=CC(Cl)=C1O N14739 [0,2,0,0,0,0|0,0,2]=4 134 B14R1.152 N[C@@H](CC(=O)O)C1=CC=CC(F)=C1O N14731 [0,2,0,0,0,0|0,0,2]=4 135 B14R1.152 N[C@@H](CC(=O)O)C1=CC=CC(F)=C1O N14732 [0,2,0,0,0,0|0,0,2]=4 136 B14R1.152 N[C@@H](CC(=O)O)C1=CC=CC(F)=C1O N14733 [0,2,0,0,0,0|0,0,2]=4 137 B14R1.103 COC1=CC(Cl)=C(\C=C\C(=O)O)C=C1 75499 [0,2,0,0,0,0|1,0,0]=3 138 B14R1.103 COC1=CC(O)=C(C=CC(=O)O)C=C1 D87966 [0,2,0,0,0,0|0,0,0]=2 139 B14R1.6048 CC1=CC(O)=C([C@@H](N)CC(=O)O)C=C1 N14785 [0,2,0,0,0,0|0,0,2]=4 140 B14R1.6048 CC1=CC(O)=C([C@@H](N)CC(=O)O)C=C1 N14786 [0,2,0,0,0,0|0,0,2]=4 141 B14R1.6048 N[C@@H](CC(=O)O)C1=C(O)C=C(Cl)C=C1 N14750 [0,2,0,0,0,0|0,0,2]=4 142 B14R1.6048 N[C@@H](CC(=O)O)C1=C(O)C=C(Cl)C=C1 N14751 [0,2,0,0,0,0|0,0,2]=4 143 B14R1.6049 CC1=CC(O)=C(C[C@H](N)C(=O)O)C=C1 N14841 [0,2,0,0,0,0|0,0,2]=4 144 B14R1.587 COC(=O)CC(=O)C1=C(I)C=CC=C1 AC6582 [0,2,0,0,0,0|1,0,1]=4 145 B14R1.6052 CC1=CC([C@@H](N)CC(=O)O)=C(O)C=C1 N14795 [0,2,0,0,0,0|0,0,2]=4 146 B14R1.6052 CC1=CC([C@@H](N)CC(=O)O)=C(O)C=C1 N14796 [0,2,0,0,0,0|0,0,2]=4 147 B14R1.6052 N[C@@H](CC(=O)O)C1=C(O)C=CC(Br)=C1 N14765 [0,2,0,0,0,0|0,0,2]=4 148 B14R1.6052 N[C@@H](CC(=O)O)C1=C(O)C=CC(Br)=C1 N14766 [0,2,0,0,0,0|0,0,2]=4 149 B14R1.5971 O=C(O)\C(S)=C\C1=C(Cl)C=CC=C1Cl C14744 [0,2,0,0,0,0|1,0,0]=3 150 B14R1.598 CCOC(=O)\C=C\C1=C(F)C=CC=C1 W16433 [0,2,0,0,0,0|1,0,0]=3 151 B14R1.598 CCOC(=O)\C=C\C1=C(N)C=CN=C1 AC8869 [0,2,0,0,0,0|2,0,0]=4 152 B14R1.820 COC(=O)\C=C\C1=C(O)C=CC(O)=C1 F16667 [0,2,0,0,0,0|0,0,0]=2 153 B14R1.19598 COC(=O)\C=C\C1=C(Br)C=NC=C1Br E71633 [0,2,0,0,0,0|2,0,0]=4 154 B14R1.2335 COC1=CC(\C=C\C(=O)O)=C(O)C=C1 D87796 [0,2,0,0,0,0|0,0,0]=2 155 B12R1.56 CC1=C(C=O)C=C(C(=O)O)C=C1 CL9386 [0,0,1,1,0,0|2,0,0]=4 156 B12R2.24 O=C1C=CC2=C(C=CC=N2)N1 97799 [1,0,0,1,0,0|2,0,0]=4 157 B12R2.24 O=C1N=CC2=C(C=CC=C2)N1 F15801 [1,0,0,1,0,0|2,0,0]=4 158 B12R2.32 BrCC1=CC2=C(C=CC=C2)O1 AC6096 [1,0,0,1,0,0|1,0,1]=4 159 B12R2.32 ClCC1=CC2=C(C=CC=C2)O1 AC6009 [1,0,0,1,0,0|1,0,1]=4 160 B12R2.32 O=CC1=CC2=C(C=CC=N2)S1 98422 [1,0,0,1,0,0|1,1,0]=4 161 B12R2.32 O=CC1=NC2=C(C=CC=C2)O1 C16106 [1,0,0,1,0,0|1,0,0]=3 162 B12R2.32 O=CC1=NN2C=CC=CC2=C1 F14285 [1,0,0,1,0,0|2,0,0]=4 163 B12R2.1081 OC1=CC=NC2=NC=CC=C12 F20689 [1,0,0,1,0,0|2,0,0]=4 164 B12R2.1081 [2H]C1=CC=CC2=CC=CC=C12 D98917 [1,0,0,1,0,0|2,0,0]=4 165 B12R2.202 CC1=CC=CC2=C1NC(=O)O2 AC6817 [0,0,0,1,1,0|2,0,0]=4 166 B12R2.202 NC1=CC=CC2=C1NC(=O)O2 C16414 [0,0,0,1,1,0|2,0,0]=4 167 B12R2.202 O=C1NC2=C(Br)C=CC=C2O1 C92124 [0,0,0,1,1,0|2,0,0]=4 168 B12R2.252 O=C(O)C1=CC2=C(N1)SC=C2 C90264 [0,0,0,1,1,0|2,0,0]=4 169 B12R2.252 O=C(O)C1=CC2=C(OC=C2)S1 D86314 [0,0,0,1,1,0|1,1,0]=4 170 B14R2.768 O=C(O)CC1=NC2=C(C=CC=C2)S1 69167 [0,0,0,1,0,1|0,1,1]=4 171 B14R2.781 O=C(O)C1=NC2=CN=CC=C2C=C1 C15561 [0,0,0,1,0,1|2,0,0]=4 172 B14R2.781 O=C(O)[C@@H]1CCC2=C(C=CC=C2)O1 50349 [0,0,0,1,0,1|0,0,2]=4 173 B14R2.781 O=C(O)[C@@H]1CSC2=C(C=CC=C2)O1 AT20924 [0,0,0,1,0,1|0,0,2]=4 174 B14R2.8032 CC(=O)C1=CNC2=C(F)C=CC=C12 C91185 [0,0,0,1,0,1|2,0,0]=4 175 B14R2.8032 CC(=O)C1=CNC2=C(I)C=CC=C12 C92231 [0,0,0,1,0,1|2,0,0]=4 176 B14R2.8032 CC1=CC=CC2=C1NN=C2C(=O)O I10086 [0,0,0,1,0,1|2,0,0]=4 177 B14R2.8032 CC1=CC=CN2C(C(=O)O)=CN=C12 W13266 [0,0,0,1,0,1|2,0,0]=4 178 B14R2.8032 O=C(O)C1=COC2=C(Br)C=CC=C12 93463 [0,0,0,1,0,1|1,0,0]=3 179 B14R2.8032 O=C(O)C1=NNC2=C1C=CC=C2O 88104 [0,0,0,1,0,1|1,0,0]=3 180 B14R2.2 O=C(O)CC1=NOC2=CC=CN=C21 94801 [0,1,0,1,0,0|1,0,1]=4 181 B14R2.2 O=C(O)C[C@H]1COC2=C1C=CC=C2 AC6774 [0,1,0,1,0,0|0,0,2]=4 182 B14R2.52 O=C1COC2=C(C=CC=C2)C(=O)N1 AT25864 [0,1,0,1,0,0|2,0,0]=4 183 B14R2.450 CC(=O)C1=C(N)C2=C(C=CC=C2)O1 D72541 [0,1,0,1,0,0|1,0,0]=3 184 B14R2.450 CC(=O)C1=C(N)C2=C(C=CC=N2)O1 F14422 [0,1,0,1,0,0|2,0,0]=4 185 B14R2.450 CC(=O)C1=C(O)C2=C(C=CC=C2)O1 D73268 [0,1,0,1,0,0|1,0,0]=3 186 B14R2.450 CC(=O)C1=CC2=C(C=CC=C2)N1C P10161 [0,1,0,1,0,0|2,0,0]=4 187 B14R2.450 CC1=C(C(=O)Cl)SC2=C1C=CC=C2 A11319 [0,1,0,1,0,0|1,1,0]=4 188 B14R2.450 CN1C(C(N)=O)=CC2=C1C=CC=C2 F13270 [0,1,0,1,0,0|2,0,0]=4 189 B14R2.450 NC1=C(C(=O)O)N=C2C=CC=CN21 58232 [0,1,0,1,0,0|2,0,0]=4 190 B14R2.450 NC1=C(C(=O)O)OC2=C1C=CC=N2 N13338 [0,1,0,1,0,0|1,0,0]=3 191 B14R2.450 NC1=C(C(=O)O)SC2=C1N=CC=C2 89769 [0,1,0,1,0,0|1,1,0]=4 192 B14R2.450 O=C(O)C1=C(O)C2=C(C=CC=C2)N1 D78597 [0,1,0,1,0,0|1,0,0]=3 193 B14R2.1073 COC1=C2C=CC(Cl)=CC2=CC=C1 N14589 [0,1,0,1,0,0|2,0,0]=4 194 B14R2.1073 COC1=C2C=CC(F)=CC2=CC=C1 N14586 [0,1,0,1,0,0|2,0,0]=4 195 B14R2.1073 COC1=CC=CC2=C1C=CC(=O)O2 D86442 [0,1,0,1,0,0|0,0,0]=2 196 B14R2.1073 COC1=CC=CC2=C1C=NC(=O)N2 F15810 [0,1,0,1,0,0|2,0,0]=4 197 B14R2.7969 CC(=O)C1=CC2=CC=CC(Br)=C2O1 D73261 [0,1,0,1,0,0|1,0,0]=3 198 B14R2.7969 CC1=C2SC(C(=O)O)=NC2=CC=C1 72140 [0,1,0,1,0,0|1,1,0]=4 199 B14R2.7969 NC1=CC=CC2=C1NC(C(=O)O)=C2 N16833 [0,1,0,1,0,0|1,0,0]=3 200 B14R2.7969 NC1=CC=CN2C=C(C(=O)O)N=C12 68912 [0,1,0,1,0,0|2,0,0]=4 201 B14R2.7969 O=C(O)C1=CC2=C(Br)C=CC=C2O1 AC4013 [0,1,0,1,0,0|0,0,0]=2 202 B14R2.7969 O=C(O)C1=CC2=C(Br)C=NC=C2N1 C71993 [0,1,0,1,0,0|2,0,0]=4 203 B14R2.7969 O=C(O)C1=CC2=C(Br)C=NC=C2S1 W19085 [0,1,0,1,0,0|1,1,0]=4 204 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2O)N1 82139 [0,1,0,1,0,0|0,0,0]=2 205 B14R2.7969 O=C(O)C1=CC2=C(F)C=CC=C2O1 98433 [0,1,0,1,0,0|0,0,0]=2 206 B14R2.7969 O=C(O)C1=CC2=CC=CC(Br)=C2S1 P11354 [0,1,0,1,0,0|0,1,0]=3 207 B14R2.7969 O=C(O)C1=CN2C=CC=C(Br)C2=C1 E71162 [0,1,0,1,0,0|2,0,0]=4 208 B14R2.7969 O=C(O)C1=CN2C=CC=C(Cl)C2=C1 E71161 [0,1,0,1,0,0|2,0,0]=4 209 B14R2.7969 O=C(O)C1=CN2C=CC=C(Cl)C2=N1 68908 [0,1,0,1,0,0|2,0,0]=4 210 B14R2.7969 O=C(O)C1=NC2=C(Br)C=CC=C2S1 P11108 [0,1,0,1,0,0|1,1,0]=4 211 B14R2.7969 O=C(O)C1=NC2=CC=CC(Br)=C2S1 P11110 [0,1,0,1,0,0|1,1,0]=4 212 B14R2.7969 O=C(O)[C@@H]1CC2=CC=CC(Cl)=C2O1 76405 [0,1,0,1,0,0|0,0,2]=4 213 B14R2.4529 CC(=O)C1=CC2=C(C=C(O)C=C2)O1 D73259 [0,1,0,1,0,0|1,0,0]=3 214 B14R2.4529 CC(=O)C1=CC2=C(C=CC(C)=C2)O1 D73254 [0,1,0,1,0,0|1,0,0]=3 215 B14R2.4529 CC(=O)C1=CC2=C(C=CC(Cl)=C2)O1 D73253 [0,1,0,1,0,0|1,0,0]=3 216 B14R2.4529 CC(=O)C1=CC2=C(C=CC(F)=C2)O1 D73262 [0,1,0,1,0,0|1,0,0]=3 217 B14R2.4529 CC(=O)C1=CC2=C(C=CC(O)=C2)O1 D73257 [0,1,0,1,0,0|1,0,0]=3 218 B14R2.4529 CC(=O)C1=NC2=C(C=CC(Br)=C2)O1 F13168 [0,1,0,1,0,0|2,0,0]=4 219 B14R2.4529 CC1=CC2=C(C=C1)C=C(C(=O)O)O2 AC6258 [0,1,0,1,0,0|0,0,0]=2 220 B14R2.4529 CC1=CC2=C(C=C1)OC(C(=O)O)=C2 95736 [0,1,0,1,0,0|0,0,0]=2 221 B14R2.4529 CC1=CC2=C(C=C1)SC(C(=O)O)=N2 72138 [0,1,0,1,0,0|1,1,0]=4 222 B14R2.4529 CC1=NC2=C(C=C1)OC(C(=O)O)=C2 W15833 [0,1,0,1,0,0|1,0,0]=3 223 B14R2.4529 NC1=CC2=C(C=C1)OC(C(=O)O)=N2 F13779 [0,1,0,1,0,0|1,0,0]=3 224 B14R2.4529 O=C(O)C1=CC2=C(C=C(Br)C=C2)S1 82317 [0,1,0,1,0,0|0,1,0]=3 225 B14R2.4529 O=C(O)C1=CC2=C(C=C(F)C=C2)S1 F19767 [0,1,0,1,0,0|0,1,0]=3 226 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Br)=N2)N1 P12340 [0,1,0,1,0,0|2,0,0]=4 227 B14R2.4529 O=C(O)C1=CC2=C(N=C(Cl)C=C2)S1 96682 [0,1,0,1,0,0|1,1,0]=4 228 B14R2.4529 O=C(O)C1=CC2=CC(Cl)=NC=C2S1 AT10710 [0,1,0,1,0,0|1,1,0]=4 229 B14R2.4529 O=C(O)C1=NC2=C(C=CC(Br)=C2)O1 F13818 [0,1,0,1,0,0|1,0,0]=3 230 B14R2.4529 O=C(O)C1=NC2=C(C=CC(Br)=C2)S1 P11109 [0,1,0,1,0,0|1,1,0]=4 231 B14R2.4529 O=C(O)C1=NC2=C(C=CC(Cl)=C2)O1 24218 [0,1,0,1,0,0|1,0,0]=3 232 B14R2.4529 O=C(O)[C@@H]1CC2=C(C=CC(Cl)=C2)O1 F14732 [0,1,0,1,0,0|0,0,2]=4 233 B14R2.4529 O=C([O-])C1=NC2=C(C=C(F)C=C2)O1 P19780 [0,1,0,1,0,0|1,0,1]=4 234 B14R2.4529 O=C([O-])C1=NC2=C(C=CC(F)=C2)O1 AT24297 [0,1,0,1,0,0|1,0,1]=4 235 B14R2.29365 CC1=CC(O)=CC2=C1C=CC(=O)O2 T72881 [0,1,0,1,0,0|1,0,0]=3 236 B14R2.28480 O=C1C=C(O)C2=C(F)C=CC=C2O1 AC2072 [0,1,0,1,0,0|1,0,0]=3 237 B14R2.28480 O=C1NC2=C(C(=O)O1)C(O)=CC=C2 F51218 [0,1,0,1,0,0|2,0,0]=4 238 B14R2.28472 NC1=NC2=C(C=CC=C2O)NC1=O F14454 [0,1,0,1,0,0|2,0,0]=4 239 B14R2.28472 OC1=C2C=C(Br)C(Br)=CC2=CC=C1 N13324 [0,1,0,1,0,0|2,0,0]=4 240 B14R2.972 COC(=O)C1=CC2=C(C=NC=C2)N1 63404 [0,1,0,1,0,0|2,0,0]=4 241 B14R2.972 COC(=O)C1=CC2=C(C=NC=C2)S1 87472 [0,1,0,1,0,0|1,1,0]=4 242 B14R2.972 N[C@@H](CO)C1=CC2=C(C=CC=C2)O1 N14712 [0,1,0,1,0,0|1,0,1]=4 243 B14R2.972 N[C@@H](CO)C1=CC2=C(C=CC=C2)O1 N14713 [0,1,0,1,0,0|1,0,1]=4 244 B14R2.972 N[C@@H](CO)C1=CC2=C(C=CC=C2)O1 N14714 [0,1,0,1,0,0|1,0,1]=4 245 B14R2.972 O=C(CBr)C1=CC2=C(C=CC=C2)O1 D73269 [0,1,0,1,0,0|1,0,0]=3 246 B14R2.972 O=C(CO)C1=CC2=C(C=CC=C2)S1 AC3909 [0,1,0,1,0,0|0,1,0]=3 247 B14R2.972 O=CC(=O)C1=CC2=C(C=CC=C2)O1 23914 [0,1,0,1,0,0|0,0,1]=3 248 B14R2.972 O=CC(=O)C1=CC2=C(C=CC=C2)S1 23930 [0,1,0,1,0,0|0,1,1]=4 249 B14R2.1801 CC1=C2C=CC(C=O)=NC2=CC=C1 72310 [0,1,0,1,0,0|2,0,0]=4 250 B14R2.1801 COC1=CC2=CC=CC(C)=C2C=C1 N14598 [0,1,0,1,0,0|2,0,0]=4 251 B14R2.1801 O=CC1=CC=C2C(Br)=CC=CC2=N1 AT13144 [0,1,0,1,0,0|2,0,0]=4 252 B10R1.18 CC(=O)[15NH]C1=CC=CC=C1 F21470 [1,0,0,0,1,0|2,0,0]=4 253 B10R1.18 [2H]C([2H])=CC1=CC=CC=C1 D99670 [1,0,0,0,1,0|2,0,0]=4 254 B10R1.66 O=C(O)\C=C\C1=CNN=C1 28276 [1,0,0,0,1,0|2,0,0]=4 255 B10R1.61 CC(=O)C1=C(S)C=CC=C1 93483 [0,0,0,0,2,0|1,1,0]=4 256 B10R1.61 CC1=[13C](C(=O)O)C=CC=C1 D98685 [0,0,0,0,2,0|1,0,0]=3 257 B10R1.61 NC(=O)C1=C(O)N=CC=C1 D74336 [0,0,0,0,2,0|2,0,0]=4 258 B10R1.61 O=C(O)C1=C(Br)C=CN=C1 78917 [0,0,0,0,2,0|2,0,0]=4 259 B10R1.61 O=C([O-])C1=C(Cl)C=CC=C1 I11424 [0,0,0,0,2,0|1,0,1]=4 260 B10R1.61 O=C([O-])C1=C(O)C=CC=C1 FD10574 [0,0,0,0,2,0|0,0,1]=3