0 B14R1.686 CC1=C(C=C(C=C1)OC(C)C(=O)N)C EME00052 [0,0,0,0,0,0|4,0,0]=4 1 B13R1.133 C/C(=C\C1=CC=C(C=C1)Cl)/C(=O)O S808687 [1,0,0,0,0,0|1,0,2]=4 2 B13R1.133 CC(=O)C(Cl)CC1=CC=C(C=C1)Cl S567140 [1,0,0,0,0,0|3,0,0]=4 3 B13R1.133 CC(CC1=CC=C(C=C1)O)C(=O)O PH008203 [1,0,0,0,0,0|0,0,0]=1 4 B13R1.133 CC(OC1=CC=C(C=C1)Br)C(=O)O CDS005545 [1,0,0,0,0,0|2,0,0]=3 5 B13R1.133 CC(OC1=CC=C(C=C1)Cl)C(=O)O R750298 [1,0,0,0,0,0|2,0,0]=3 6 B13R1.133 CC(OC1=CC=C(C=C1)F)C(=O)O PH009975 [1,0,0,0,0,0|2,0,0]=3 7 B13R1.133 CC1=CC=C(C=C1)/C=C(/C)\C(=O)O S280100 [1,0,0,0,0,0|1,0,2]=4 8 B13R1.133 CC1=CC=C(C=C1)CC(C)C(=O)O R245267 [1,0,0,0,0,0|1,0,0]=2 9 B13R1.133 CC1=CC=C(C=C1)CC(N)C(=O)O PH011203 [1,0,0,0,0,0|2,0,0]=3 10 B13R1.133 C[C@H](CC1=CC=C(C=C1)N)C(=O)O PH001854 [1,0,0,0,0,0|1,0,0]=2 11 B13R1.133 NC(CC1=CC=[N+](C=C1)[O-])C(=O)O PH003272 [1,0,0,0,0,0|2,0,1]=4 12 B13R1.148 C/C(=C/C1=CC=CC(=C1)N)/C(=O)O PH008849 [1,0,0,0,0,0|1,0,2]=4 13 B13R1.148 C/C(=C\C1=CC(=CC=C1)Br)/C(=O)O L129372 [1,0,0,0,0,0|1,0,2]=4 14 B13R1.148 C/C(=C\C1=CC(=CC=C1)Cl)/C(=O)O R151122 [1,0,0,0,0,0|1,0,2]=4 15 B13R1.148 CC(=O)C(Cl)CC1=CC=CC(=C1)Cl S567183 [1,0,0,0,0,0|3,0,0]=4 16 B13R1.148 CC(OC1=CC=CC(=C1)F)C(=O)O CDS002341 [1,0,0,0,0,0|2,0,0]=3 17 B13R1.148 CC1=CC(=CC=C1)/C=C(\C)/C(=O)O R151041 [1,0,0,0,0,0|1,0,2]=4 18 B13R1.148 O=C(O)/C(=C/C1=CC(=CC=C1)O)/S PH000774 [1,0,0,0,0,0|1,0,2]=4 19 B13R1.148 O=C(O)C(=S)CC1=CC(=CC=C1)O R627119 [1,0,0,0,0,0|1,0,1]=3 20 B13R1.148 O=C(O)C(Br)CC1=CC(=CC=C1)Cl L129844 [1,0,0,0,0,0|2,0,0]=3 21 B13R1.511 CC1=C(C=C(C=C1)CCC(=O)O)Br T303011 [1,0,0,0,0,0|2,0,0]=3 22 B13R1.511 CC1=CC(=CC=C1Cl)OCC(=O)O CDS006826 [1,0,0,0,0,0|3,0,0]=4 23 B13R1.511 CN(C)CCC1=CC=C(C(=C1)O)O PH013462 [1,0,0,0,0,0|3,0,0]=4 24 B13R1.511 O=C(O)CSC1=CC=C(C(=C1)Cl)Cl R538639 [1,0,0,0,0,0|3,0,0]=4 25 B15R1.5521 COC(=O)C(C)OC1=CC=C(C(=C1)C)C JRD1268 [0,1,0,0,0,0|3,0,0]=4 26 B15R1.5521 COC(=O)C(C)OC1=CC=C(C(=C1)C)Cl JRD1266 [0,1,0,0,0,0|3,0,0]=4 27 B15R1.11316 CC1=CC(=CC=C1Cl)OC(C)(C)C(=O)O CDS005606 [0,1,0,0,0,0|3,0,0]=4 28 B15R1.28955 CC1=CC(=CC(=C1Cl)C)OC(C)C(=O)O CDS005563 [0,1,0,0,0,0|3,0,0]=4 29 B15R1.28955 [C@H](N)(CC1=CC(=C(C(=C1)Br)O)Br)C(=O)O S448923 [0,1,0,0,0,0|2,0,0]=3 30 B13R1.510 NC(C(=O)O)C1=CC=C(C(=C1)F)F CDS022248 [0,0,0,0,1,0|3,0,0]=4 31 B15R1.883 CC(CC(=O)O)NC1=CC=C(C(=C1)Cl)Cl R175625 [0,0,0,0,0,1|3,0,0]=4 32 B12R1.21 CC1=CC=C(C=C1)SCC(=O)O S755710 [2,0,0,0,0,0|2,0,0]=4 33 B12R1.21 CC1=CC=[N+](C=C1)CCC(=O)O OTV000678 [2,0,0,0,0,0|2,0,0]=4 34 B12R1.21 NC(=O)CCC1=CC=C(C=C1)O CDS020808 [2,0,0,0,0,0|1,0,0]=3 35 B12R1.21 O=C(O)CNC1=CC=C(C=C1)F T109797 [2,0,0,0,0,0|2,0,0]=4 36 B12R1.43 CC(CC1=CC=CC=C1)C(=O)N S101400 [2,0,0,0,0,0|1,0,0]=3 37 B12R1.43 CC(CC1=CC=CC=C1)C(=O)N S494143 [2,0,0,0,0,0|1,0,0]=3 38 B12R1.43 CC(CC1=CC=CC=C1)C(=O)N S497290 [2,0,0,0,0,0|1,0,0]=3 39 B12R1.43 CC(SC1=CC=CC=C1)C(=O)O T214256 [2,0,0,0,0,0|1,0,0]=3 40 B12R1.43 CC(SC1=NC=CC=C1)C(=O)O EME00360 [2,0,0,0,0,0|2,0,0]=4 41 B12R1.43 CN(CC1=CC=CC=C1)C(=O)Cl PH008817 [2,0,0,0,0,0|2,0,0]=4 42 B12R1.43 NC(CC1=CC=CC=N1)C(=O)O CDS020095 [2,0,0,0,0,0|2,0,0]=4 43 B12R1.43 NC(CC1=CC=CN=C1)C(=O)O CDS020090 [2,0,0,0,0,0|2,0,0]=4 44 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O PH000113 [2,0,0,0,0,0|1,0,0]=3 45 B12R1.43 O=C(O)C(Br)CC1=CC=CC=C1 T136158 [2,0,0,0,0,0|1,0,0]=3 46 B12R1.43 O=C(O)C(O)CC1=CC=CN=C1 CDS008837 [2,0,0,0,0,0|2,0,0]=4 47 B12R1.43 O=C([O-])C(O)CC1=CC=CC=C1 S789089 [2,0,0,0,0,0|1,0,1]=4 48 B12R1.49 CNC(C)CC1=CC=C(C=C1)O S411558 [2,0,0,0,0,0|2,0,0]=4 49 B12R1.49 NC(CC1=CC=C(C=C1)O)N=O PH016710 [2,0,0,0,0,0|2,0,0]=4 50 B12R1.226 CC1=CC(=CC=C1)OCC(=O)O S353191 [2,0,0,0,0,0|2,0,0]=4 51 B12R1.226 NC1=CC(=CC=C1)CCC(=O)O CDS000895 [2,0,0,0,0,0|1,0,0]=3 52 B12R1.226 O=C(O)CCC1=CC=CC(=C1)O PH011597 [2,0,0,0,0,0|0,0,0]=2 53 B12R1.226 O=C(O)CNC1=CC(=CC=C1)Cl L449121 [2,0,0,0,0,0|2,0,0]=4 54 B14R1.3 C(=O)C1=CC=C(C=C1)OC(C)C(=O)O CBR00348 [1,1,0,0,0,0|1,0,1]=4 55 B14R1.3 CCC1=CC=C(C=C1)OC(C)C(=O)O TMT00016 [1,1,0,0,0,0|2,0,0]=4 56 B14R1.3 COC1=CC=C(C=C1)/C=C(\C)/C(=O)O PH011559 [1,1,0,0,0,0|0,0,2]=4 57 B14R1.3 COC1=CC=C(C=C1)CC(Br)C(=O)O L129216 [1,1,0,0,0,0|1,0,0]=3 58 B14R1.134 COC(=O)C(C)OC1=CC=C(C=C1)Br JRD1265 [1,1,0,0,0,0|2,0,0]=4 59 B14R1.134 COC(=O)C(C)OC1=CC=C(C=C1)C JRD1263 [1,1,0,0,0,0|2,0,0]=4 60 B14R1.134 COC(=O)C(C)OC1=CC=C(C=C1)Cl JRD1264 [1,1,0,0,0,0|2,0,0]=4 61 B14R1.134 COC(=O)C(C)OC1=CC=C(C=C1)F EME00163 [1,1,0,0,0,0|2,0,0]=4 62 B14R1.134 COC(=O)C(N)CC1=CC=C(C=C1)Cl PH016711 [1,1,0,0,0,0|2,0,0]=4 63 B14R1.134 COC(=O)C(N)CC1=CC=C(C=C1)O S457787 [1,1,0,0,0,0|1,0,0]=3 64 B14R1.536 COC(CC1=CC=C(C=C1)Br)C(=O)O PH018906 [1,1,0,0,0,0|1,0,0]=3 65 B14R1.536 COC(CC1=CC=C(C=C1)I)C(=O)O PH016333 [1,1,0,0,0,0|1,0,0]=3 66 B14R1.6049 CC(OC1=CC=C(C=C1Cl)F)C(=O)O CDS005564 [1,1,0,0,0,0|2,0,0]=4 67 B14R1.6049 CC1=CC=C(C(=C1)C)C[C@@H](N)C(=O)O CDS005520 [1,1,0,0,0,0|2,0,0]=4 68 B14R1.6049 CC1=CC=C(C(=C1)O)CC(N)C(=O)O S749745 [1,1,0,0,0,0|2,0,0]=4 69 B14R1.6049 NC(CC1=CC=C(C=C1Cl)Cl)C(=O)O PH010886 [1,1,0,0,0,0|2,0,0]=4 70 B14R1.7626 CC(=O)C(C)(Cl)CC1=CC=C(C=C1)Cl S567124 [1,1,0,0,0,0|2,0,0]=4 71 B14R1.7626 CC(C)(OC1=CC=C(C=C1)F)C(=O)O PH010243 [1,1,0,0,0,0|2,0,0]=4 72 B14R1.7626 CC(C)(OC1=CC=C(C=C1)N)C(=O)O CDS017204 [1,1,0,0,0,0|2,0,0]=4 73 B14R1.7626 CC(N)(CC1=CC=C(C=C1)O)C(=O)O S783218 [1,1,0,0,0,0|0,0,0]=2 74 B14R1.7626 CC1=CC=C(C=C1)NC(C)(C)C(=O)O CBR01170 [1,1,0,0,0,0|2,0,0]=4 75 B14R1.7626 CC1=CC=C(C=C1)OC(C)(C)C(=O)O CDS005609 [1,1,0,0,0,0|2,0,0]=4 76 B14R1.135 COC(=O)[C@H](N)CC1=CC(=CC=C1)F CDS020830 [1,1,0,0,0,0|2,0,0]=4 77 B14R1.153 CC1=C(C(=CC=C1)CC(N)C(=O)O)O S749753 [1,1,0,0,0,0|2,0,0]=4 78 B14R1.542 CC/C(=C/C1=CC(=CC=C1)O)/C(=O)O R169552 [1,1,0,0,0,0|0,0,2]=4 79 B14R1.542 CCC(CC1=CC(=CC=C1)O)C(=O)O R648345 [1,1,0,0,0,0|0,0,0]=2 80 B14R1.4257 CC1=CC(=CC(=C1)OC(C)C(=O)O)C CDS005565 [1,1,0,0,0,0|2,0,0]=4 81 B14R1.4404 CC(C)(CC1=CC(=CC=C1)F)C(=O)O PH017258 [1,1,0,0,0,0|1,0,0]=3 82 B14R1.4404 CC(C)(OC1=CC=CC(=C1)Cl)C(=O)O CDS005607 [1,1,0,0,0,0|2,0,0]=4 83 B14R1.4474 CC(OC1=CC(=CC=C1Cl)Cl)C(=O)O S345520 [1,1,0,0,0,0|2,0,0]=4 84 B14R1.4474 CC1=CC=C(C(=C1)CC(N)C(=O)O)O S749664 [1,1,0,0,0,0|2,0,0]=4 85 B14R1.685 CC1=C(C=C(C=C1)C(C)CC(=O)O)Br L128104 [1,1,0,0,0,0|2,0,0]=4 86 B14R1.685 NC(CC(=O)O)C1=CC(=C(C=C1)Cl)Cl BBO000722 [1,1,0,0,0,0|2,0,0]=4 87 B14R1.685 NC(CC(=O)O)C1=CC(=C(C=C1)Cl)Cl CDS006137 [1,1,0,0,0,0|2,0,0]=4 88 B14R1.3653 COC1=C(C=C(C=C1)CCC(=O)O)Br S102350 [1,1,0,0,0,0|1,0,0]=3 89 B14R1.3653 COC1=CC=C(C=C1C)CCC(=O)O S953792 [1,1,0,0,0,0|1,0,0]=3 90 B14R1.3653 COC1=CC=C(C=C1O)CCC(=O)O CDS006461 [1,1,0,0,0,0|0,0,0]=2 91 B14R1.15552 CC(=O)CCC1=CC(=C(C(=C1)C)O)C S290920 [1,1,0,0,0,0|2,0,0]=4 92 B14R1.1032 COC(C(=O)O)C1=CC=C(C(=C1)Cl)Cl S648701 [0,1,0,0,1,0|2,0,0]=4 93 B14R1.3652 COC1=C(C=C(C=C1)C(O)C(=O)O)Cl L128597 [0,1,0,0,1,0|2,0,0]=4 94 B14R1.3652 COC1=CC=C(C=C1Br)[C@@H](N)C(=O)O PH015961 [0,1,0,0,1,0|2,0,0]=4 95 B16R1.4274 COC1=C(C=C(C=C1)CC(O)C(=O)O)OC PH004802 [0,2,0,0,0,0|1,0,0]=3 96 B16R1.4274 COC1=CC=C(C=C1OC)CC(N)C(=O)O S783374 [0,2,0,0,0,0|1,0,0]=3 97 B16R1.1627 COC(=O)C(N)CC1=CC(=C(C(=C1)I)O)I PH013735 [0,2,0,0,0,0|2,0,0]=4 98 B16R1.76178 COC(=O)C(C)(N)CC1=CC=C(C(=C1)C)O S455326 [0,2,0,0,0,0|1,0,0]=3 99 B14R2.4529 CC1=CC=C2CC(CC2=C1)C(=O)O PH017368 [1,0,0,1,0,0|1,0,0]=3 100 B14R2.4529 CC1=CC=C2CC(SC2=C1)C(=O)O T326569 [1,0,0,1,0,0|2,0,0]=4 101 B14R2.4529 CC1=CC=C2NC(CC2=C1)C(=O)O CBR00777 [1,0,0,1,0,0|2,0,0]=4 102 B14R2.4529 O=C(O)C1CC2=C(O1)C=CC(=C2)F CDS023496 [1,0,0,1,0,0|2,0,0]=4 103 B14R2.4529 O=C(O)C1CC2=CC(=CC=C2N1)Cl CDS021216 [1,0,0,1,0,0|2,0,0]=4 104 B14R2.4476 O=C(O)C1CC1C2=CC=CC(=C2)F CDS023747 [1,0,0,1,0,0|1,0,0]=3 105 B16R2.6257 CC(CC1=CC2=C(C=C1)OCO2)C(=O)O T159530 [0,1,0,1,0,0|0,0,0]=2 106 B16R2.6257 O=C(O)C(=O)CC1=CC2=C(C=C1)OCO2 T153710 [0,1,0,1,0,0|1,0,1]=4 107 B16R2.6257 O=C(O)C(O)CC1=CC2=C(C=C1)OCO2 PH004803 [0,1,0,1,0,0|1,0,0]=3 108 B12R1.20 CC(C(=O)O)C1=CC=C(C=C1)F S450359 [1,0,0,0,1,0|1,0,0]=3 109 B12R1.20 NC(C(=O)O)C1=CC=C(C=C1)O PH000116 [1,0,0,0,1,0|1,0,0]=3 110 B12R1.20 NC1=CC=C(C=C1)C(N)C(=O)O PH000028 [1,0,0,0,1,0|2,0,0]=4 111 B12R1.20 O=C(O)C(O)C1=CC=C(C=C1)Cl CDS019939 [1,0,0,0,1,0|2,0,0]=4 112 B12R1.225 O=C(O)C(O)C1=CC=CC(=C1)Br PH011789 [1,0,0,0,1,0|2,0,0]=4 113 B12R1.367 CCC(C)C1=CC=C(C(=C1)O)O PH007367 [1,0,0,0,1,0|1,0,1]=4 114 B14R1.679 CC(CNC1=CC=C(C=C1)Cl)C(=O)O PH010346 [1,0,0,0,0,1|1,0,0]=3 115 B14R1.679 CC1=CC=C(C=C1)CCC(O)C(=O)O PH008648 [1,0,0,0,0,1|2,0,0]=4 116 B14R1.698 CC(CC(=O)O)NC1=CC=C(C=C1)Cl R152048 [1,0,0,0,0,1|2,0,0]=4 117 B14R1.698 CC(CC(=O)O)SC1=CC=C(C=C1)Cl PH011455 [1,0,0,0,0,1|2,0,0]=4 118 B14R1.687 CC1=CC=C(C=C1C)CCCC(=O)O S714461 [1,0,0,0,0,1|2,0,0]=4 119 B14R1.687 CC1=CC=C(C=C1C)OCCC(=O)O PH009804 [1,0,0,0,0,1|2,0,0]=4