0 B14R1.134 COC(=O)C(C)OC1=CC=C(C=C1)Br JRD1265 [1,0,0,0,0,0|2,0,0]=3 1 B14R1.134 COC(=O)C(C)OC1=CC=C(C=C1)C JRD1263 [1,0,0,0,0,0|2,0,0]=3 2 B14R1.134 COC(=O)C(C)OC1=CC=C(C=C1)Cl JRD1264 [1,0,0,0,0,0|2,0,0]=3 3 B14R1.134 COC(=O)C(C)OC1=CC=C(C=C1)F EME00163 [1,0,0,0,0,0|2,0,0]=3 4 B14R1.134 COC(=O)C(N)CC1=CC=C(C=C1)Cl PH016711 [1,0,0,0,0,0|1,0,0]=2 5 B14R1.134 COC(=O)C(N)CC1=CC=C(C=C1)O S457787 [1,0,0,0,0,0|0,0,0]=1 6 B14R1.7626 CC(=O)C(C)(Cl)CC1=CC=C(C=C1)Cl S567124 [1,0,0,0,0,0|2,0,0]=3 7 B14R1.7626 CC(C)(OC1=CC=C(C=C1)F)C(=O)O PH010243 [1,0,0,0,0,0|3,0,0]=4 8 B14R1.7626 CC(C)(OC1=CC=C(C=C1)N)C(=O)O CDS017204 [1,0,0,0,0,0|3,0,0]=4 9 B14R1.7626 CC(N)(CC1=CC=C(C=C1)O)C(=O)O S783218 [1,0,0,0,0,0|0,0,0]=1 10 B14R1.7626 CC1=CC=C(C=C1)NC(C)(C)C(=O)O CBR01170 [1,0,0,0,0,0|3,0,0]=4 11 B14R1.7626 CC1=CC=C(C=C1)OC(C)(C)C(=O)O CDS005609 [1,0,0,0,0,0|3,0,0]=4 12 B16R1.15339 CCOC(=O)C(C)(C)OC1=CC=C(C=C1)Br JRD1269 [0,1,0,0,0,0|3,0,0]=4 13 B16R1.15339 CCOC(=O)C(C)(C)OC1=CC=C(C=C1)F JRD1270 [0,1,0,0,0,0|3,0,0]=4 14 B16R1.76178 COC(=O)C(C)(N)CC1=CC=C(C(=C1)C)O S455326 [0,1,0,0,0,0|0,0,0]=1 15 B13R1.14 COC(=O)/C=C/C1=CC=C(C=C1)O KOB0128 [2,0,0,0,0,0|0,0,2]=4 16 B13R1.14 COC(=O)COC1=CC=C(C=C1)Br EME00079 [2,0,0,0,0,0|2,0,0]=4 17 B13R1.14 COC(=O)COC1=CC=C(C=C1)Cl PH009782 [2,0,0,0,0,0|2,0,0]=4 18 B13R1.14 COC(=O)COC1=CC=C(C=C1)N CDS020172 [2,0,0,0,0,0|2,0,0]=4 19 B13R1.14 COC(=O)CSC1=CC=C(C=C1)Cl S620173 [2,0,0,0,0,0|2,0,0]=4 20 B13R1.133 CC(=O)C(Cl)CC1=CC=C(C=C1)Cl S567140 [2,0,0,0,0,0|2,0,0]=4 21 B13R1.133 CC(CC1=CC=C(C=C1)O)C(=O)O PH008203 [2,0,0,0,0,0|0,0,0]=2 22 B13R1.133 CC(OC1=CC=C(C=C1)Br)C(=O)O CDS005545 [2,0,0,0,0,0|2,0,0]=4 23 B13R1.133 CC(OC1=CC=C(C=C1)Cl)C(=O)O R750298 [2,0,0,0,0,0|2,0,0]=4 24 B13R1.133 CC(OC1=CC=C(C=C1)F)C(=O)O PH009975 [2,0,0,0,0,0|2,0,0]=4 25 B13R1.133 CC1=CC=C(C=C1)CC(C)C(=O)O R245267 [2,0,0,0,0,0|1,0,0]=3 26 B13R1.133 CC1=CC=C(C=C1)CC(N)C(=O)O PH011203 [2,0,0,0,0,0|1,0,0]=3 27 B13R1.133 C[C@H](CC1=CC=C(C=C1)N)C(=O)O PH001854 [2,0,0,0,0,0|1,0,0]=3 28 B13R1.133 NC(CC1=CC=[N+](C=C1)[O-])C(=O)O PH003272 [2,0,0,0,0,0|1,0,1]=4 29 B13R1.135 COC(=O)C(C)OC1=CC=CC=C1 JRD1262 [2,0,0,0,0,0|1,0,0]=3 30 B13R1.135 COC(=O)C(C)SC1=CC=CC=C1 S620203 [2,0,0,0,0,0|1,0,0]=3 31 B13R1.135 COC(=O)C(N)CC1=CC=CC=C1 PH011323 [2,0,0,0,0,0|0,0,0]=2 32 B13R1.135 COC(=O)C(N)CC1=NC=CC=C1 PH019122 [2,0,0,0,0,0|1,0,0]=3 33 B13R1.135 COC(=O)[C@@H](O)CC1=CC=CC=C1 PH000793 [2,0,0,0,0,0|1,0,0]=3 34 B13R1.135 COC(=O)[C@H](N)CC1=CC=CC=C1 PH009923 [2,0,0,0,0,0|0,0,0]=2 35 B13R1.135 COC(=O)[C@H](N)CC1=CC=CN=C1 CDS006818 [2,0,0,0,0,0|1,0,0]=3 36 B13R1.1073 CC(=O)C(C)(Cl)CC1=CC=CC=C1 S567248 [2,0,0,0,0,0|1,0,0]=3 37 B13R1.1073 CC(C)(CC1=CC=CC=C1)C(=O)N PH007307 [2,0,0,0,0,0|2,0,0]=4 38 B13R1.1073 CC(C)(OC1=CC=CC=C1)C(=O)O PH010089 [2,0,0,0,0,0|2,0,0]=4 39 B13R1.1073 CC(C)(SC1=CC=CC=C1)C(=O)O OTV000153 [2,0,0,0,0,0|2,0,0]=4 40 B15R1.5521 COC(=O)C(C)OC1=CC=C(C(=C1)C)C JRD1268 [1,1,0,0,0,0|2,0,0]=4 41 B15R1.5521 COC(=O)C(C)OC1=CC=C(C(=C1)C)Cl JRD1266 [1,1,0,0,0,0|2,0,0]=4 42 B15R1.11642 COC(=O)C(C)(C)C(=O)C1=CC=CC=C1 PH007632 [1,1,0,0,0,0|1,0,1]=4 43 B15R1.11642 COC(=O)C(C)(C)C(O)C1=CC=CC=C1 PH007629 [1,1,0,0,0,0|1,0,0]=3 44 B15R1.11653 COC(=O)C(C)(N)CC1=CC=CC(=C1)O S427721 [1,1,0,0,0,0|0,0,0]=2 45 B15R1.216 COC1=CC=C(C=C1)CC(C)(N)C(=O)O PH004962 [1,1,0,0,0,0|0,0,0]=2 46 B15R1.216 COC1=CC=C(C=C1)NC(C)(C)C(=O)O CBR02248 [1,1,0,0,0,0|2,0,0]=4 47 B15R1.11315 CC1=CC=C(C=C1)C(O)C(C)(C)C(=O)O L119342 [1,1,0,0,0,0|2,0,0]=4 48 B17R1.127470 CCOC(=O)C(C)(C)OC1=CC=C(C=C1)OC PH000425 [0,2,0,0,0,0|2,0,0]=4 49 B17R1.127650 CCOC(=O)[C@@](C)(N)CC1=CC=C(C(=C1)O)O PH013408 [0,2,0,0,0,0|0,0,0]=2 50 B15R2.1559 COC(=O)[C@@H]1C[C@H]1C2=CC=C(C=C2)Cl PH008588 [1,0,0,1,0,0|1,0,0]=3 51 B13R1.21 COC(=O)C(Cl)C1=CC=C(C=C1)F PH014958 [1,0,0,0,1,0|2,0,0]=4 52 B13R1.708 COC(=O)C(C)(O)C1=CC=CC=C1 CDS020879 [1,0,0,0,1,0|1,0,0]=3 53 B13R1.708 COC(=O)C(C)(O)C1=CC=NC=C1 CDS021289 [1,0,0,0,1,0|2,0,0]=4 54 B13R1.522 CC(O)(C(=O)O)C1=CC=C(C=C1)Cl OTV000770 [1,0,0,0,1,0|2,0,0]=4 55 B15R1.1001 COC(=O)C(C)CSC1=CC=C(C=C1)Cl S614173 [1,0,0,0,0,1|1,0,0]=3 56 B12R1.21 NC(=O)CCC1=CC=C(C=C1)O CDS020808 [3,0,0,0,0,0|1,0,0]=4 57 B12R1.27 CCC(=O)CCC1=CC=CC=C1 S570338 [3,0,0,0,0,0|1,0,0]=4 58 B12R1.27 COC(=O)NCC1=CC=CC=C1 S594148 [3,0,0,0,0,0|1,0,0]=4 59 B12R1.49 CNC(C)CC1=CC=C(C=C1)O S411558 [3,0,0,0,0,0|1,0,0]=4 60 B12R1.49 NC(CC1=CC=C(C=C1)O)N=O PH016710 [3,0,0,0,0,0|1,0,0]=4 61 B12R1.43 CC(CC1=CC=CC=C1)C(=O)N S101400 [3,0,0,0,0,0|1,0,0]=4 62 B12R1.43 CC(CC1=CC=CC=C1)C(=O)N S494143 [3,0,0,0,0,0|1,0,0]=4 63 B12R1.43 CC(CC1=CC=CC=C1)C(=O)N S497290 [3,0,0,0,0,0|1,0,0]=4 64 B12R1.43 CC(SC1=CC=CC=C1)C(=O)O T214256 [3,0,0,0,0,0|1,0,0]=4 65 B12R1.43 NC(CC1=CC=CC=N1)C(=O)O CDS020095 [3,0,0,0,0,0|1,0,0]=4 66 B12R1.43 NC(CC1=CC=CN=C1)C(=O)O CDS020090 [3,0,0,0,0,0|1,0,0]=4 67 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O PH000113 [3,0,0,0,0,0|0,0,0]=3 68 B12R1.43 O=C(O)C(Br)CC1=CC=CC=C1 T136158 [3,0,0,0,0,0|1,0,0]=4 69 B14R1.5 COC(=O)CCC1=CC=C(C=C1)CN CDS000982 [2,1,0,0,0,0|1,0,0]=4 70 B14R1.10 COC(=O)CC(=O)C1=CC=C(C=C1)O CDS000077 [2,1,0,0,0,0|0,0,1]=4 71 B14R1.502 CCOC(=O)CCC1=CC=C(C=C1)O S582131 [2,1,0,0,0,0|0,0,0]=3 72 B14R1.3 COC1=CC=C(C=C1)CC(Br)C(=O)O L129216 [2,1,0,0,0,0|1,0,0]=4 73 B14R1.536 COC(CC1=CC=C(C=C1)Br)C(=O)O PH018906 [2,1,0,0,0,0|1,0,0]=4 74 B14R1.536 COC(CC1=CC=C(C=C1)I)C(=O)O PH016333 [2,1,0,0,0,0|1,0,0]=4 75 B14R1.6049 CC1=CC=C(C(=C1)C)C[C@@H](N)C(=O)O CDS005520 [2,1,0,0,0,0|1,0,0]=4 76 B14R1.6049 CC1=CC=C(C(=C1)O)CC(N)C(=O)O S749745 [2,1,0,0,0,0|1,0,0]=4 77 B14R1.6049 NC(CC1=CC=C(C=C1Cl)Cl)C(=O)O PH010886 [2,1,0,0,0,0|1,0,0]=4 78 B14R1.60 CCOC(=O)C(C)SC1=CC=CC=C1 S799912 [2,1,0,0,0,0|1,0,0]=4 79 B14R1.60 CCOC(=O)C(N)CC1=CC=NC=C1 CDS020927 [2,1,0,0,0,0|1,0,0]=4 80 B14R1.85 COC(=O)C(Br)C(Br)C1=CC=CC=C1 PH000383 [2,1,0,0,0,0|1,0,0]=4 81 B14R1.135 COC(=O)[C@H](N)CC1=CC(=CC=C1)F CDS020830 [2,1,0,0,0,0|0,0,0]=3 82 B14R1.425 CC(CC1=CC=CC=C1)C(=O)N(C)C S497673 [2,1,0,0,0,0|1,0,0]=4 83 B14R1.1007 COC(=O)C(Br)CC1=C(C=CC=C1)F OTV000774 [2,1,0,0,0,0|1,0,0]=4 84 B14R1.1031 [C-]#[N+]C(CC1=CC=CC=C1)C(=O)OC PH014919 [2,1,0,0,0,0|0,0,1]=4 85 B14R1.4404 CC(C)(CC1=CC(=CC=C1)F)C(=O)O PH017258 [2,1,0,0,0,0|1,0,0]=4 86 B14R1.8844 CC(C#N)(CC1=CC=CC=C1)C(=O)O S116548 [2,1,0,0,0,0|0,0,1]=4 87 B14R1.8844 CC(C#N)(CC1=CC=CC=C1)C(=O)O S120383 [2,1,0,0,0,0|0,0,1]=4 88 B14R1.8844 CC(C#N)(CC1=CC=CC=C1)C(=O)O S316059 [2,1,0,0,0,0|0,0,1]=4 89 B14R1.8844 CC(C#N)(CC1=CC=CC=C1)C(=O)O S490547 [2,1,0,0,0,0|0,0,1]=4 90 B14R1.2982 CCC(C)(C(=O)OC)C1=CC=CC=C1 S12581 [1,1,0,0,1,0|1,0,0]=4 91 B14R1.2982 CCC(C)(C(=O)OC)C1=CC=CC=C1 S324167 [1,1,0,0,1,0|1,0,0]=4 92 B14R1.2982 COC(=O)C(C)(CO)C1=CC=CC=C1 T295957 [1,1,0,0,1,0|1,0,0]=4 93 B14R1.2982 COC(=O)C(C)(OC)C1=CC=CC=C1 S497258 [1,1,0,0,1,0|1,0,0]=4 94 B14R1.213 COC1=CC=C(C=C1)C(C)(C)C(=O)O OTV000683 [1,1,0,0,1,0|1,0,0]=4 95 B16R1.2180 CCOC(=O)NC(C)(C)CC1=CC=CC=C1 S392278 [1,1,0,0,0,1|1,0,0]=4 96 B16R1.4958 CCOC(=O)C(C)CC1=CC=C(C=C1)CN PH019358 [1,2,0,0,0,0|1,0,0]=4 97 B16R1.743 CCOC(=O)C(CN)CC1=CC=C(C=C1)F PH014963 [1,2,0,0,0,0|1,0,0]=4 98 B16R1.1627 COC(=O)C(N)CC1=CC(=C(C(=C1)I)O)I PH013735 [1,2,0,0,0,0|0,0,0]=3 99 B18R1.220555 CCOC(=O)C(C)(C)C(O)C1=CC=C(C=C1)OC PH006328 [0,3,0,0,0,0|1,0,0]=4 100 B14R2.4529 CC1=CC=C2CC(CC2=C1)C(=O)O PH017368 [2,0,0,1,0,0|1,0,0]=4 101 B14R2.30 O=C1CCCC1CC2=CC=CC=C2 S134104 [2,0,0,1,0,0|1,0,0]=4 102 B14R2.958 CNC(=O)C1CC1C2=CC=CC=C2 T199354 [2,0,0,1,0,0|1,0,0]=4 103 B14R2.958 COC(=O)C1OC1C2=CC=CC=C2 S353248 [2,0,0,1,0,0|1,0,0]=4 104 B14R2.979 COC(=O)C1(CC1)C2=CC=CC=C2 EME00172 [1,0,0,1,1,0|1,0,0]=4 105 B16R2.779 CCOC(=O)C1(OC1C2=CC=CC=C2)C PH001385 [1,1,0,1,0,0|1,0,0]=4 106 B12R1.20 CC(C(=O)O)C1=CC=C(C=C1)F S450359 [2,0,0,0,1,0|1,0,0]=4 107 B12R1.20 NC(C(=O)O)C1=CC=C(C=C1)O PH000116 [2,0,0,0,1,0|0,0,0]=3 108 B12R1.20 NC1=CC=C(C=C1)C(N)C(=O)O PH000028 [2,0,0,0,1,0|1,0,0]=4 109 B12R1.34 CCC(=O)C(C)C1=CC=CC=C1 S593516 [2,0,0,0,1,0|1,0,0]=4 110 B12R1.34 CNC(=O)C(C)C1=CC=CC=C1 PH007481 [2,0,0,0,1,0|1,0,0]=4 111 B12R1.34 COC(=O)C(C)C1=CC=CC=C1 T278246 [2,0,0,0,1,0|0,0,0]=3 112 B12R1.34 COC(=O)C(Cl)C1=CC=CC=C1 S792535 [2,0,0,0,1,0|1,0,0]=4 113 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 S888060 [2,0,0,0,1,0|0,0,0]=3 114 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 TMT00574 [2,0,0,0,1,0|0,0,0]=3 115 B12R1.253 CC(=O)C(C)(O)C1=CC=CC=C1 S306045 [2,0,0,0,1,0|1,0,0]=4 116 B12R1.253 CC(=O)C(C)(O)C1=CC=CC=C1 S495409 [2,0,0,0,1,0|1,0,0]=4 117 B12R1.253 CC(C)(C(=O)O)C1=CC=CC=C1 CDS000391 [2,0,0,0,1,0|1,0,0]=4 118 B12R1.253 CC(N)(C(=O)O)C1=CC=CC=C1 S116629 [2,0,0,0,1,0|0,0,0]=3 119 B12R1.253 CC(O)(C(=O)O)C1=CC=CC=C1 S315958 [2,0,0,0,1,0|1,0,0]=4 120 B14R1.13 COC(=O)CCOC1=CC=C(C=C1)N CDS021206 [2,0,0,0,0,1|1,0,0]=4 121 B14R1.13 COC(=O)CCSC1=CC=C(C=C1)Cl S614327 [2,0,0,0,0,1|1,0,0]=4 122 B14R1.13 COC(=O)CSCC1=CC=C(C=C1)Cl S620289 [2,0,0,0,0,1|1,0,0]=4 123 B14R1.756 COC(=O)C(C)CSC1=CC=CC=C1 S614033 [2,0,0,0,0,1|0,0,0]=3 124 B14R1.756 COC(=O)C(N)CCC1=CC=CC=C1 CDS006089 [2,0,0,0,0,1|0,0,0]=3 125 B14R1.756 COC(=O)C(O)CCC1=CC=CC=C1 PH000808 [2,0,0,0,0,1|1,0,0]=4 126 B14R1.756 COC(=O)[C@H](N)CCC1=CC=CC=C1 PH019536 [2,0,0,0,0,1|0,0,0]=3 127 B14R1.6395 CC(C)(CSC1=CC=CC=C1)C(=O)O PH004294 [2,0,0,0,0,1|1,0,0]=4