0 B14R1.3 C#CC1=CC=C(C[C@H](N)C(=O)O)C=C1 A50672 [0,0,0,0,0,0|2,0,2]=4 1 B14R1.3 C=C(C)C(=O)NC1=CC=C(OC)C=C1 W12578 [0,0,0,0,0,0|3,0,0]=3 2 B14R1.3 C=CC1=CC=C(C[C@H](N)C(=O)O)C=C1 N10760 [0,0,0,0,0,0|2,0,2]=4 3 B14R1.3 COC1=CC=C(CC(=O)C(C)C)C=C1 N14180 [0,0,0,0,0,0|2,0,1]=3 4 B14R1.3 COC1=CC=C(NC(=O)C(=O)O)C=C1 A12506 [0,0,0,0,0,0|1,0,0]=1 5 B14R1.3 COC1=CC=C(NC(=S)C(N)=O)C=C1 CS1068 [0,0,0,0,0,0|2,1,0]=3 6 B13R1.3 CCC1=CC=C(\C=C\C(=O)O)C=C1 D86907 [1,0,0,0,0,0|1,0,1]=3 7 B13R1.3 COC1=CC=C(COC(=O)Cl)C=C1 D81342 [1,0,0,0,0,0|2,0,0]=3 8 B13R1.3 COC1=CC=C(\C=C\C(C)=O)C=C1 A11033 [1,0,0,0,0,0|1,0,1]=3 9 B13R1.3 COC1=NC=C(CCC(=O)O)C=C1 72582 [1,0,0,0,0,0|1,0,1]=3 10 B13R1.3 CSC1=CC=C(\C=C\C(=O)O)C=C1 C71095 [1,0,0,0,0,0|0,1,1]=3 11 B13R1.5 C=CC(=O)OC1=CC=C(CC)C=C1 Y14655 [1,0,0,0,0,0|3,0,0]=4 12 B13R1.5 CCC(=O)CC1=CC=C(OC)C=C1 N14177 [1,0,0,0,0,0|1,0,1]=3 13 B13R1.5 CCC(=O)NC1=CC=C(OC)C=C1 W10776 [1,0,0,0,0,0|2,0,1]=4 14 B13R1.5 COC1=CC=C(CC(=O)NN)C=C1 W18806 [1,0,0,0,0,0|2,0,0]=3 15 B13R1.5 COC1=CC=C(C[C@H](C)C=O)C=C1 64484 [1,0,0,0,0,0|1,0,1]=3 16 B13R1.5 COC1=CC=C(C[C@H](N)CO)C=C1 N11303 [1,0,0,0,0,0|1,0,2]=4 17 B13R1.133 CC1=CC=C(O[C@@H](C)C(=O)O)C=C1 AR3824 [1,0,0,0,0,0|2,0,1]=4 18 B13R1.133 CC1=NC=C(C[C@H](N)C(=O)O)C=C1 Y10839 [1,0,0,0,0,0|2,0,1]=4 19 B13R1.133 C[C@@H](CC1=CC=C(Br)C=C1)C(=O)O D79738 [1,0,0,0,0,0|2,0,1]=4 20 B13R1.133 C[C@@H](CC1=CC=C(F)C=C1)C(=O)O 71965 [1,0,0,0,0,0|2,0,1]=4 21 B13R1.133 C\C(=C/C1=CC=C(F)C=C1)C(=O)O D95596 [1,0,0,0,0,0|2,0,1]=4 22 B13R1.133 NC(=O)[C@@H](N)CC1=CC=C(O)C=C1 A12610 [1,0,0,0,0,0|2,0,1]=4 23 B13R1.133 NC1=CC=C(CC(=O)C(=O)O)C=C1 A11480 [1,0,0,0,0,0|1,0,0]=2 24 B13R1.133 O=C(O)[C@@H](O)CC1=CC=C(Br)C=C1 AC1147 [1,0,0,0,0,0|1,0,2]=4 25 B13R1.133 O=C(O)[C@@H](O)CC1=CC=C(I)C=C1 96041 [1,0,0,0,0,0|1,0,2]=4 26 B13R1.133 O=C(O)[C@@H](O)CC1=CC=C(O)C=C1 49162 [1,0,0,0,0,0|0,0,2]=3 27 B13R1.133 O=C(O)[C@@H](O)CC1=CC=C(O)C=C1 D90895 [1,0,0,0,0,0|0,0,2]=3 28 B15R1.3 COC(=O)[C@@H](N)CC1=CC=C(OC)C=C1 N11051 [0,1,0,0,0,0|1,0,1]=3 29 B15R1.3 COC(=O)[C@@H](N)CC1=CC=C(OC)C=C1 N11052 [0,1,0,0,0,0|1,0,1]=3 30 B15R1.3 COC(=O)[C@@H](N)CC1=CC=C(OC)C=C1 W19173 [0,1,0,0,0,0|1,0,1]=3 31 B15R1.216 COC1=CC=C(OC(C)(C)C(=O)O)C=C1 AB9558 [0,1,0,0,0,0|2,0,1]=4 32 B15R1.495 CC(=O)C1=CC=C(C[C@H](N)C(=O)O)C=C1 22915 [0,1,0,0,0,0|2,0,1]=4 33 B15R1.495 CC(=O)C1=CC=C(C[C@H](N)C(=O)O)C=C1 73534 [0,1,0,0,0,0|2,0,1]=4 34 B15R1.3777 COC1=C(O)C=C(C[C@H](N)C(=O)O)C=C1 Y10837 [0,1,0,0,0,0|1,0,1]=3 35 B15R2.451 COC1=CC=C(C2CC2C(=O)O)C=C1 F51907 [0,0,0,1,0,0|1,0,1]=3 36 B15R2.4834 COC1=CC2=C(C=C1)N=C(C(=O)O)S2 28088 [0,0,0,1,0,0|1,1,0]=3 37 B15R2.4834 COC1=CC2=C(C=C1)SC(C(=O)O)=C2 89351 [0,0,0,1,0,0|2,0,0]=3 38 B15R2.4834 COC1=CC2=C(C=C1)SC(C(=O)O)=N2 F13843 [0,0,0,1,0,0|2,0,0]=3 39 B15R2.4834 COC1=CC2=CC(C(=O)O)=NN2C=C1 D96823 [0,0,0,1,0,0|3,0,0]=4 40 B15R2.4834 COC1=CC2=NC(C(=O)O)=CN2C=C1 68920 [0,0,0,1,0,0|2,0,1]=4 41 B15R2.4834 COC1=CN2C=C(C(=O)O)N=C2C=C1 68923 [0,0,0,1,0,0|3,0,0]=4 42 B15R2.4834 COC1=NC2=C(C=C1)NC(C(=O)O)=C2 78440 [0,0,0,1,0,0|3,0,0]=4 43 B13R1.36 COC1=CC=C(C(=O)C(C)=O)C=C1 O10296 [0,0,0,0,1,0|1,0,0]=2 44 B13R1.36 COC1=CC=C([C@@H](Br)C(=O)O)C=C1 F52417 [0,0,0,0,1,0|1,0,1]=3 45 B13R1.36 COC1=CC=C([C@@H](C)C(=O)O)C=C1 27914 [0,0,0,0,1,0|1,0,1]=3 46 B13R1.36 COC1=CC=C([C@@H](C)C(=O)O)C=C1 63436 [0,0,0,0,1,0|1,0,1]=3 47 B13R1.36 COC1=CC=C([C@@H](N)C(=O)O)C=C1 Y11808 [0,0,0,0,1,0|1,0,1]=3 48 B13R1.36 COC1=CC=C([C@@H](N)C(=O)O)C=C1 Y11809 [0,0,0,0,1,0|1,0,1]=3 49 B12R1.21 CC1=CN=C(CCC(=O)O)C=C1 72577 [2,0,0,0,0,0|1,0,1]=4 50 B12R1.21 CC1=NC=C(CCC(=O)O)C=C1 72581 [2,0,0,0,0,0|1,0,1]=4 51 B12R1.21 O=C(O)CCC1=CC=C(S)C=C1 T72748 [2,0,0,0,0,0|0,1,1]=4 52 B12R1.4 COC1=CC=C(OC(C)=O)C=C1 C11131 [2,0,0,0,0,0|1,0,1]=4 53 B12R1.4 NCC1=CC=C(CC(=O)O)C=C1 CK1029 [2,0,0,0,0,0|2,0,0]=4 54 B12R1.4 O=C(O)CC1=CC=C(CCl)C=C1 AC6356 [2,0,0,0,0,0|2,0,0]=4 55 B12R1.4 O=CC1=CC=C(CC(=O)O)C=C1 CX1079 [2,0,0,0,0,0|2,0,0]=4 56 B12R1.49 CC1=CC=C(CC(=O)NN)C=C1 W18215 [2,0,0,0,0,0|2,0,0]=4 57 B12R1.49 CCC(=O)CC1=CC=C(C)C=C1 N12572 [2,0,0,0,0,0|1,0,1]=4 58 B12R1.49 N\C(CC1=CC=C(O)C=C1)=N\O W10702 [2,0,0,0,0,0|2,0,0]=4 59 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O C73515 [2,0,0,0,0,0|1,0,1]=4 60 B12R1.43 O=C(O)C(=O)NC1=CC=CC=C1 W18568 [2,0,0,0,0,0|1,0,0]=3 61 B12R1.43 O=C(O)[C@@H](Br)CC1=CC=CC=C1 F16780 [2,0,0,0,0,0|1,0,1]=4 62 B14R1.2 COC1=NC=C([C@@H](N)CC(=O)O)C=C1 N10832 [1,1,0,0,0,0|1,0,1]=4 63 B14R1.2 COC1=NC=C([C@@H](N)CC(=O)O)C=C1 N10833 [1,1,0,0,0,0|1,0,1]=4 64 B14R1.2 COC1=NC=C([C@@H](N)CC(=O)O)C=C1 N10923 [1,1,0,0,0,0|1,0,1]=4 65 B14R1.5 CCC(=O)\C=C\C1=CC=C(OC)C=C1 C71174 [1,1,0,0,0,0|1,0,1]=4 66 B14R1.5 COC(=O)C#CC1=CC=C(OC)C=C1 F11025 [1,1,0,0,0,0|0,0,2]=4 67 B14R1.103 COC1=CC(Br)=C(CCC(=O)O)C=C1 C90189 [1,1,0,0,0,0|0,0,1]=3 68 B14R1.142 NCCC1=CC=C(CCC(=O)O)C=C1 D72698 [1,1,0,0,0,0|1,0,1]=4 69 B14R1.419 CN(C)C1=CC=C(CCC(=O)O)C=C1 W18208 [1,1,0,0,0,0|1,0,1]=4 70 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(C)C=C1 Y11931 [1,1,0,0,0,0|1,0,1]=4 71 B14R1.536 N#C\C(=C/C1=CC=C(O)C=C1)C(=O)O T70712 [1,1,0,0,0,0|1,0,1]=4 72 B14R1.686 CC1=C(C)C=C(C[C@H](N)C(=O)O)C=C1 Y12177 [1,1,0,0,0,0|1,0,1]=4 73 B14R1.686 N[C@@H](CC1=CC(F)=C(O)C=C1)C(=O)O 61380 [1,1,0,0,0,0|1,0,1]=4 74 B14R1.686 N[C@@H](CC1=CC(F)=C(O)C=C1)C(=O)O 61384 [1,1,0,0,0,0|1,0,1]=4 75 B14R1.686 N[C@@H](CC1=CC(F)=C(O)C=C1)C(=O)O 61386 [1,1,0,0,0,0|1,0,1]=4 76 B14R1.686 N[C@@H](CC1=CC(F)=C(O)C=C1)C(=O)O Y11239 [1,1,0,0,0,0|1,0,1]=4 77 B14R1.686 N[C@@H](CC1=CC(O)=C(O)C=C1)C(=O)O F21483 [1,1,0,0,0,0|1,0,1]=4 78 B14R1.6049 CC1=CC(Br)=C(C[C@H](N)C(=O)O)C=C1 D94000 [1,1,0,0,0,0|1,0,1]=4 79 B14R1.6049 CC1=CC(F)=C(C[C@H](N)C(=O)O)C=C1 Y11725 [1,1,0,0,0,0|1,0,1]=4 80 B14R1.141 CCOC1=CC=C([C@@H](N)C(=O)O)C=C1 A50304 [0,1,0,0,1,0|1,0,1]=4 81 B14R1.141 CCOC1=CC=C([C@@H](N)C(=O)O)C=C1 Y12572 [0,1,0,0,1,0|1,0,1]=4 82 B14R1.213 COC1=CC=C(C(F)(F)C(=O)O)C=C1 AC2737 [0,1,0,0,1,0|1,0,1]=4 83 B14R1.3652 COC1=C(F)C=C([C@@H](N)C(=O)O)C=C1 N10890 [0,1,0,0,1,0|1,0,1]=4 84 B14R1.6402 O=C(O)C(=O)C1=CC=C([N+](=O)[O-])C=C1 AB16637 [0,1,0,0,1,0|2,0,0]=4 85 B16R1.197 COC(=O)\C(Cl)=N\NC1=CC=C(OC)C=C1 C12711 [0,1,0,0,0,1|2,0,0]=4 86 B16R1.231 COC(=O)[C@@](C)(N)CC1=CC=C(OC)C=C1 P18284 [0,2,0,0,0,0|1,0,1]=4 87 B16R1.4294 COC(=O)[C@@H](N)CC1=CC(O)=C(OC)C=C1 Y10842 [0,2,0,0,0,0|1,0,1]=4 88 B14R2.134 COC1=CC2=C(C=C1)COC(=O)C2 54447 [1,0,0,1,0,0|2,0,0]=4 89 B14R2.134 COC1=CC2=C(C=C1)N=CC(=O)N2 Y11365 [1,0,0,1,0,0|2,0,0]=4 90 B14R2.2332 COC1=CC2=C(C=C1)NC(=O)C=C2 W10314 [1,0,0,1,0,0|2,0,0]=4 91 B14R2.2332 COC1=CC2=C(C=C1)NC(=O)CO2 C76042 [1,0,0,1,0,0|1,0,1]=4 92 B14R2.3274 COC1=CC2=C(C=C1)C[C@H](C)C2=O 96721 [1,0,0,1,0,0|1,0,1]=4 93 B14R2.3304 COC1=CC2=C(C=C1)C=C(C=O)N2 69487 [1,0,0,1,0,0|1,0,1]=4 94 B14R2.3304 COC1=CC2=C(C=C1)C=C(C=O)O2 52772 [1,0,0,1,0,0|0,0,2]=4 95 B14R2.3304 COC1=CC2=C(C=C1)OC(C=O)=C2 71295 [1,0,0,1,0,0|2,0,0]=4 96 B14R2.3304 COC1=CC2=C(C=C1)SC(C=O)=C2 31987 [1,0,0,1,0,0|2,0,0]=4 97 B14R2.4402 O=C(O)[C@H]1C[C@@H]1C2=CC=C(O)C=C2 P15790 [1,0,0,1,0,0|1,0,1]=4 98 B14R2.4529 CC1=CC2=C(C=C1)C=C(C(=O)O)S2 36036 [1,0,0,1,0,0|0,1,1]=4 99 B14R2.4529 CC1=CC2=C(C=C1)N=C(C(=O)O)S2 72139 [1,0,0,1,0,0|1,1,0]=4 100 B14R2.4529 O=C(O)C1=CC2=C(C=C(O)C=C2)N1 62484 [1,0,0,1,0,0|1,0,1]=4 101 B14R2.4529 O=C(O)C1=CC2=C(C=C(O)C=C2)O1 AC2155 [1,0,0,1,0,0|0,0,2]=4 102 B14R2.4529 O=C(O)C1=CC2=C(C=C(O)C=C2)S1 12913 [1,0,0,1,0,0|0,1,1]=4 103 B14R2.4529 O=C(O)C1=CC2=C(C=CC(O)=C2)N1 82246 [1,0,0,1,0,0|2,0,0]=4 104 B14R2.4529 O=C(O)C1=CC2=C(C=CC(O)=C2)O1 Y11630 [1,0,0,1,0,0|2,0,0]=4 105 B14R2.4529 O=C(O)C1=NC2=C(C=C(O)C=C2)N1 P16499 [1,0,0,1,0,0|2,0,0]=4 106 B14R2.8239 CC1=CC2=C(C=C(O)C=C2)OC1=O C90473 [1,0,0,1,0,0|1,0,1]=4 107 B14R2.8239 NC1=CC2=C(C=C(O)C=C2)OC1=O O10941 [1,0,0,1,0,0|1,0,1]=4 108 B16R2.7476 COC1=CC2=C(C=C1)CC[C@H](C(=O)O)C2 63120 [0,0,0,1,0,1|1,0,1]=4 109 B16R2.7476 COC1=CC2=C(C=C1)CN[C@H](C(=O)O)C2 62201 [0,0,0,1,0,1|1,0,1]=4 110 B16R2.7476 COC1=CC2=C(C=C1)OCC(C(=O)O)=C2 85653 [0,0,0,1,0,1|1,0,0]=3 111 B16R2.7476 COC1=CC2=C(C=C1)OC[C@@H](C(=O)O)C2 85654 [0,0,0,1,0,1|1,0,1]=4 112 B16R2.7476 COC1=CC2=C(C=C1)OC[C@@H](C(=O)O)C2 85658 [0,0,0,1,0,1|1,0,1]=4 113 B16R2.7604 COC(=O)C1=CC2=C(C=C(OC)C=C2)O1 32371 [0,1,0,1,0,0|0,0,2]=4 114 B16R2.7604 COC(=O)C1=CC2=C(C=C(OC)C=C2)S1 F18095 [0,1,0,1,0,0|0,1,1]=4 115 B16R2.7604 COC(=O)C1=CC2=C(C=CC(OC)=C2)N1 F14206 [0,1,0,1,0,0|2,0,0]=4 116 B16R2.7604 COC(=O)[C@H]1CC2=C(C=C(OC)C=C2)C1 80101 [0,1,0,1,0,0|1,0,1]=4 117 B16R2.7486 COC1=CC2=C(C=C1)C=C(C(=O)O)CO2 H10644 [0,1,0,1,0,0|0,0,2]=4 118 B16R2.7526 COC1=CC2=C(C=C1)C=C(C(=O)O)N2C F16359 [0,1,0,1,0,0|1,0,1]=4 119 B16R2.7526 COC1=CC2=C(C=C1)NC(C(=O)O)=C2C 87165 [0,1,0,1,0,0|2,0,0]=4 120 B16R2.37660 COC1=CC2=C(C=C1)C=C(C=O)C(=O)N2 D78035 [0,1,0,1,0,0|1,0,1]=4 121 B16R2.37660 COC1=CC2=C(C=C1)N=C(CBr)C(=O)O2 T70169 [0,1,0,1,0,0|2,0,0]=4 122 B16R2.1933 COC1=C(Br)C=C2C=C(C(=O)O)OC2=C1 F19963 [0,1,0,1,0,0|0,0,2]=4 123 B12R1.5 CNC(=O)C1=CC=C(OC)C=C1 C74747 [1,0,0,0,1,0|2,0,0]=4 124 B12R1.5 COC1=CC=C(C(=O)C=O)C=C1 Y11290 [1,0,0,0,1,0|0,0,0]=2 125 B12R1.20 CC(=O)C(=O)C1=CC=C(Cl)C=C1 H10945 [1,0,0,0,1,0|2,0,0]=4 126 B12R1.20 CC1=CC=C([C@@H](N)C(=O)O)C=C1 D80223 [1,0,0,0,1,0|1,0,1]=4 127 B12R1.20 CC1=CC=C([C@@H](N)C(=O)O)C=C1 Y13382 [1,0,0,0,1,0|1,0,1]=4 128 B12R1.20 CC1=CC=C([C@@H](O)C(=O)O)C=C1 F20952 [1,0,0,0,1,0|0,0,2]=4 129 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(O)C=C1 AC1142 [1,0,0,0,1,0|1,0,1]=4 130 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(O)C=C1 AC3350 [1,0,0,0,1,0|1,0,1]=4 131 B12R1.20 NC(=O)C(=O)C1=CC=C(Br)C=C1 A10635 [1,0,0,0,1,0|2,0,0]=4 132 B12R1.20 O=C(O)C(=O)C1=CC=C(Br)C=C1 AB10481 [1,0,0,0,1,0|1,0,0]=3 133 B12R1.20 O=C(O)C(=O)C1=CC=C(Cl)C=C1 57454 [1,0,0,0,1,0|1,0,0]=3 134 B12R1.20 O=C(O)C(=O)C1=CC=C(F)C=C1 AB11475 [1,0,0,0,1,0|1,0,0]=3 135 B12R1.20 O=C(O)C(=O)C1=CC=C(O)C=C1 F16678 [1,0,0,0,1,0|0,0,0]=2 136 B12R1.20 O=C([O-])C(=O)C1=CC=C(O)C=C1 38640 [1,0,0,0,1,0|0,0,1]=3 137 B14R1.679 N[C@@H](CCC1=CC=C(O)C=C1)C(=O)O D83280 [1,0,0,0,0,1|1,0,1]=4 138 B14R1.698 N[C@@H](CC(=O)O)CC1=CC=C(O)C=C1 AC1733 [1,0,0,0,0,1|1,0,1]=4 139 B14R1.698 N[C@@H](CC(=O)O)CC1=CC=C(O)C=C1 F12119 [1,0,0,0,0,1|1,0,1]=4 140 B14R1.698 O=C(O)CC(=O)NC1=CC=C(F)C=C1 11919 [1,0,0,0,0,1|2,0,0]=4 141 B14R1.75 COC1=CC=CC(CC(=O)C(=O)O)=C1 C91154 [0,0,0,0,1,1|0,0,0]=2