0 B13R1.133 C/C(=C\C1=CC=C(C=C1)Cl)/C(=O)O S808687 [0,0,0,0,0,0|2,0,2]=4 1 B13R1.133 CC(=O)C(Cl)CC1=CC=C(C=C1)Cl S567140 [0,0,0,0,0,0|3,0,0]=3 2 B13R1.133 CC(CC1=CC=C(C=C1)O)C(=O)O PH008203 [0,0,0,0,0,0|1,0,0]=1 3 B13R1.133 CC(OC1=CC=C(C=C1)Br)C(=O)O CDS005545 [0,0,0,0,0,0|3,0,0]=3 4 B13R1.133 CC(OC1=CC=C(C=C1)Cl)C(=O)O R750298 [0,0,0,0,0,0|3,0,0]=3 5 B13R1.133 CC(OC1=CC=C(C=C1)F)C(=O)O PH009975 [0,0,0,0,0,0|3,0,0]=3 6 B13R1.133 CC1=CC=C(C=C1)/C=C(/C)\C(=O)O S280100 [0,0,0,0,0,0|2,0,2]=4 7 B13R1.133 CC1=CC=C(C=C1)CC(C)C(=O)O R245267 [0,0,0,0,0,0|2,0,0]=2 8 B13R1.133 CC1=CC=C(C=C1)CC(N)C(=O)O PH011203 [0,0,0,0,0,0|1,0,0]=1 9 B13R1.133 C[C@H](CC1=CC=C(C=C1)N)C(=O)O PH001854 [0,0,0,0,0,0|2,0,0]=2 10 B13R1.133 NC(CC1=CC=[N+](C=C1)[O-])C(=O)O PH003272 [0,0,0,0,0,0|1,0,1]=2 11 B13R1.133 NC1=CC=C(C=C1)NC(=O)C(=O)O PH010859 [0,0,0,0,0,0|3,0,1]=4 12 B12R1.21 CC(=CCC1=CC=C(C=C1)O)C S369632 [1,0,0,0,0,0|2,0,1]=4 13 B12R1.21 CC(=O)C=CC1=CC=C(C=C1)O S350656 [1,0,0,0,0,0|1,0,2]=4 14 B12R1.21 CC(=O)CSC1=CC=C(C=C1)Br VBP00216 [1,0,0,0,0,0|3,0,0]=4 15 B12R1.21 CC(=O)NCC1=CC=C(C=C1)Cl PH009464 [1,0,0,0,0,0|3,0,0]=4 16 B12R1.21 CC(=O)OCC1=CC=C(C=C1)C S528498 [1,0,0,0,0,0|3,0,0]=4 17 B12R1.21 CC(C)CCC1=CC=C(C=C1)O S511803 [1,0,0,0,0,0|2,0,1]=4 18 B12R1.21 CC1=CC=C(C=C1)OCC(=O)Cl OTV000056 [1,0,0,0,0,0|3,0,0]=4 19 B12R1.21 CC1=CC=C(C=C1)SCC(=O)O S755710 [1,0,0,0,0,0|2,0,0]=3 20 B12R1.21 CC1=CC=[N+](C=C1)CCC(=O)N S343307 [1,0,0,0,0,0|3,0,0]=4 21 B12R1.21 CC1=CC=[N+](C=C1)CCC(=O)O OTV000678 [1,0,0,0,0,0|2,0,0]=3 22 B12R1.21 CN(C)CCC1=CC=C(C=C1)O S452254 [1,0,0,0,0,0|3,0,0]=4 23 B12R1.21 NC(=O)CCC1=CC=C(C=C1)O CDS020808 [1,0,0,0,0,0|1,0,0]=2 24 B12R1.21 NC(=O)COC1=CC=C(C=C1)Br CBR00191 [1,0,0,0,0,0|3,0,0]=4 25 B12R1.21 NC(=O)COC1=CC=C(C=C1)N TMT00025 [1,0,0,0,0,0|3,0,0]=4 26 B12R1.21 NC(=O)CSC1=CC=C(C=C1)Cl S637920 [1,0,0,0,0,0|3,0,0]=4 27 B12R1.21 NC1=CC=C(C=C1)/C=C/C(=O)O CDS000175 [1,0,0,0,0,0|1,0,2]=4 28 B12R1.21 O=C(O)CNC1=CC=C(C=C1)F T109797 [1,0,0,0,0,0|2,0,0]=3 29 B12R1.43 CC(CC1=CC=CC=C1)C(=O)N S101400 [1,0,0,0,0,0|2,0,0]=3 30 B12R1.43 CC(CC1=CC=CC=C1)C(=O)N S494143 [1,0,0,0,0,0|2,0,0]=3 31 B12R1.43 CC(CC1=CC=CC=C1)C(=O)N S497290 [1,0,0,0,0,0|2,0,0]=3 32 B12R1.43 CC(SC1=CC=CC=C1)C(=O)O T214256 [1,0,0,0,0,0|2,0,0]=3 33 B12R1.43 CC(SC1=NC=CC=C1)C(=O)O EME00360 [1,0,0,0,0,0|3,0,0]=4 34 B12R1.43 CN(CC1=CC=CC=C1)C(=O)Cl PH008817 [1,0,0,0,0,0|3,0,0]=4 35 B12R1.43 NC(CC1=CC=CC=N1)C(=O)O CDS020095 [1,0,0,0,0,0|1,0,0]=2 36 B12R1.43 NC(CC1=CC=CN=C1)C(=O)O CDS020090 [1,0,0,0,0,0|1,0,0]=2 37 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O PH000113 [1,0,0,0,0,0|0,0,0]=1 38 B12R1.43 O=C(O)/C(=C/C1=CC=CC=C1)/Br S808768 [1,0,0,0,0,0|1,0,2]=4 39 B12R1.43 O=C(O)/C(=C/C1=CC=CC=C1)/Cl PH009328 [1,0,0,0,0,0|1,0,2]=4 40 B12R1.43 O=C(O)/C(=C\C1=CC=CC=C1)/Cl PH004529 [1,0,0,0,0,0|1,0,2]=4 41 B12R1.43 O=C(O)C(Br)CC1=CC=CC=C1 T136158 [1,0,0,0,0,0|1,0,0]=2 42 B12R1.43 O=C(O)C(O)CC1=CC=CN=C1 CDS008837 [1,0,0,0,0,0|2,0,0]=3 43 B12R1.43 O=C([O-])C(O)CC1=CC=CC=C1 S789089 [1,0,0,0,0,0|1,0,1]=3 44 B12R1.49 CNC(C)CC1=CC=C(C=C1)O S411558 [1,0,0,0,0,0|3,0,0]=4 45 B12R1.49 N/C(=N/O)/CC1=CC=C(C=C1)Br PH014888 [1,0,0,0,0,0|2,0,1]=4 46 B12R1.49 NC(CC1=CC=C(C=C1)O)N=O PH016710 [1,0,0,0,0,0|1,0,0]=2 47 B14R1.3 C(=O)C1=CC=C(C=C1)OC(C)C(=O)O CBR00348 [0,1,0,0,0,0|2,0,1]=4 48 B14R1.3 CCC1=CC=C(C=C1)OC(C)C(=O)O TMT00016 [0,1,0,0,0,0|3,0,0]=4 49 B14R1.3 COC1=CC=C(C=C1)/C=C(\C)/C(=O)O PH011559 [0,1,0,0,0,0|1,0,2]=4 50 B14R1.3 COC1=CC=C(C=C1)CC(Br)C(=O)O L129216 [0,1,0,0,0,0|1,0,0]=2 51 B14R1.134 COC(=O)C(C)OC1=CC=C(C=C1)Br JRD1265 [0,1,0,0,0,0|3,0,0]=4 52 B14R1.134 COC(=O)C(C)OC1=CC=C(C=C1)C JRD1263 [0,1,0,0,0,0|3,0,0]=4 53 B14R1.134 COC(=O)C(C)OC1=CC=C(C=C1)Cl JRD1264 [0,1,0,0,0,0|3,0,0]=4 54 B14R1.134 COC(=O)C(C)OC1=CC=C(C=C1)F EME00163 [0,1,0,0,0,0|3,0,0]=4 55 B14R1.134 COC(=O)C(N)CC1=CC=C(C=C1)Cl PH016711 [0,1,0,0,0,0|1,0,0]=2 56 B14R1.134 COC(=O)C(N)CC1=CC=C(C=C1)O S457787 [0,1,0,0,0,0|0,0,0]=1 57 B14R1.536 COC(CC1=CC=C(C=C1)Br)C(=O)O PH018906 [0,1,0,0,0,0|2,0,0]=3 58 B14R1.536 COC(CC1=CC=C(C=C1)I)C(=O)O PH016333 [0,1,0,0,0,0|2,0,0]=3 59 B14R1.6049 CC(OC1=CC=C(C=C1Cl)F)C(=O)O CDS005564 [0,1,0,0,0,0|3,0,0]=4 60 B14R1.6049 CC1=CC=C(C(=C1)C)C[C@@H](N)C(=O)O CDS005520 [0,1,0,0,0,0|1,0,0]=2 61 B14R1.6049 CC1=CC=C(C(=C1)O)CC(N)C(=O)O S749745 [0,1,0,0,0,0|1,0,0]=2 62 B14R1.6049 NC(CC1=CC=C(C=C1Cl)Cl)C(=O)O PH010886 [0,1,0,0,0,0|1,0,0]=2 63 B14R1.7626 CC(=O)C(C)(Cl)CC1=CC=C(C=C1)Cl S567124 [0,1,0,0,0,0|3,0,0]=4 64 B14R1.7626 CC(C)(OC1=CC=C(C=C1)F)C(=O)O PH010243 [0,1,0,0,0,0|3,0,0]=4 65 B14R1.7626 CC(C)(OC1=CC=C(C=C1)N)C(=O)O CDS017204 [0,1,0,0,0,0|3,0,0]=4 66 B14R1.7626 CC(N)(CC1=CC=C(C=C1)O)C(=O)O S783218 [0,1,0,0,0,0|0,0,0]=1 67 B14R1.7626 CC1=CC=C(C=C1)NC(C)(C)C(=O)O CBR01170 [0,1,0,0,0,0|3,0,0]=4 68 B14R1.7626 CC1=CC=C(C=C1)OC(C)(C)C(=O)O CDS005609 [0,1,0,0,0,0|3,0,0]=4 69 B14R2.4529 CC1=CC=C2CC(CC2=C1)C(=O)O PH017368 [0,0,0,1,0,0|2,0,0]=3 70 B14R2.4529 CC1=CC=C2CC(SC2=C1)C(=O)O T326569 [0,0,0,1,0,0|2,0,0]=3 71 B14R2.4529 CC1=CC=C2NC(CC2=C1)C(=O)O CBR00777 [0,0,0,1,0,0|3,0,0]=4 72 B14R2.4529 O=C(O)C1=CC2=C(N1)C=C(C=C2)Br CDS006283 [0,0,0,1,0,0|1,0,2]=4 73 B14R2.4529 O=C(O)C1=CC2=CC=C(C=C2N1)Cl PH006850 [0,0,0,1,0,0|1,0,2]=4 74 B14R2.4529 O=C(O)C1=CC2=CC=C(C=C2N1)O CDS005384 [0,0,0,1,0,0|0,0,2]=3 75 B14R2.4529 O=C(O)C1=NC2=CC=C(C=C2N1)F CDS022344 [0,0,0,1,0,0|2,0,1]=4 76 B14R2.4529 O=C(O)C1CC2=C(O1)C=CC(=C2)F CDS023496 [0,0,0,1,0,0|3,0,0]=4 77 B14R2.4529 O=C(O)C1CC2=CC(=CC=C2N1)Cl CDS021216 [0,0,0,1,0,0|3,0,0]=4 78 B12R1.20 CC(C(=O)O)C1=CC=C(C=C1)F S450359 [0,0,0,0,1,0|2,0,0]=3 79 B12R1.20 NC(C(=O)O)C1=CC=C(C=C1)O PH000116 [0,0,0,0,1,0|0,0,0]=1 80 B12R1.20 NC1=CC=C(C=C1)C(N)C(=O)O PH000028 [0,0,0,0,1,0|1,0,0]=2 81 B12R1.20 O=C(O)C(O)C1=CC=C(C=C1)Cl CDS019939 [0,0,0,0,1,0|2,0,0]=3 82 B12R1.104 N[C@@H](CC1=CNC(=N1)S)C(=O)O CDS006825 [0,0,0,0,1,0|2,1,0]=4 83 B14R1.679 CC(CNC1=CC=C(C=C1)Cl)C(=O)O PH010346 [0,0,0,0,0,1|2,0,0]=3 84 B14R1.679 CC1=CC=C(C=C1)CCC(O)C(=O)O PH008648 [0,0,0,0,0,1|2,0,0]=3 85 B14R1.698 CC(CC(=O)O)NC1=CC=C(C=C1)Cl R152048 [0,0,0,0,0,1|3,0,0]=4 86 B14R1.698 CC(CC(=O)O)SC1=CC=C(C=C1)Cl PH011455 [0,0,0,0,0,1|3,0,0]=4 87 B11R1.1 CCCCC1=CC=C(C=C1)O CDS001507 [2,0,0,0,0,0|1,0,1]=4 88 B11R1.1 N#CCCC1=CC=C(C=C1)O PH011727 [2,0,0,0,0,0|1,0,1]=4 89 B11R1.1 O=CCCC1=CC=C(C=C1)F CDS022638 [2,0,0,0,0,0|1,0,0]=3 90 B11R1.1 O=CCCC1=CC=C(C=C1)O CDS022892 [2,0,0,0,0,0|0,0,0]=2 91 B11R1.1 OCCCC1=CC=C(C=C1)Cl CDS003137 [2,0,0,0,0,0|1,0,1]=4 92 B11R1.91 CC(=O)CSC1=CC=CC=C1 PH011676 [2,0,0,0,0,0|2,0,0]=4 93 B11R1.91 NC(=O)CC[N+]1=CC=CC=C1 S343315 [2,0,0,0,0,0|2,0,0]=4 94 B11R1.91 NC(=O)CNC1=CC=CC=C1 PH010726 [2,0,0,0,0,0|2,0,0]=4 95 B11R1.91 NC(=O)CSC1=CC=CC=C1 PH011181 [2,0,0,0,0,0|2,0,0]=4 96 B11R1.91 O=C(O)/C=C/C1=CC=CC=C1 S826065 [2,0,0,0,0,0|0,0,2]=4 97 B11R1.91 O=C(O)CCC1=CC=NC=C1 CDS002094 [2,0,0,0,0,0|1,0,0]=3 98 B11R1.91 O=C(O)CCC1=NC=CC=N1 S217417 [2,0,0,0,0,0|2,0,0]=4 99 B11R1.91 O=C(O)CCC1=NC=CN=C1 CDS022931 [2,0,0,0,0,0|2,0,0]=4 100 B11R1.91 O=C(O)CNC1=NC=CC=C1 R411434 [2,0,0,0,0,0|2,0,0]=4 101 B11R1.91 O=C(O)CSC1=CC=CC=N1 CDS002508 [2,0,0,0,0,0|2,0,0]=4 102 B11R1.91 O=C([O-])COC1=CC=CC=C1 R257494 [2,0,0,0,0,0|1,0,1]=4 103 B11R1.91 O=C([O-])CSC1=CC=CC=C1 T288012 [2,0,0,0,0,0|1,0,1]=4 104 B11R1.91 O=P(O)OCC1=CC=CC=C1 S435015 [2,0,0,0,0,0|2,0,0]=4 105 B11R1.40 N/C(=N\O)/CC1=CC=CC=C1 BOG00118 [2,0,0,0,0,0|1,0,1]=4 106 B11R1.40 N/C(=N\O)/CC1=CC=CC=C1 CDS003635 [2,0,0,0,0,0|1,0,1]=4 107 B11R1.20 C=C(C)CC1=CC=C(C=C1)O PH007153 [2,0,0,0,0,0|1,0,1]=4 108 B11R1.20 CC(=O)CC1=CC=C(C=C1)O PH011294 [2,0,0,0,0,0|1,0,1]=4 109 B11R1.20 CC1=CC=C(C=C1)CC(=O)N S536768 [2,0,0,0,0,0|1,0,1]=4 110 B11R1.20 NC(=O)CC1=CC=C(C=C1)Cl CDS011494 [2,0,0,0,0,0|1,0,1]=4 111 B13R1.3 COC1=CC=C(C=C1)/C=C/C(=O)O T135062 [1,1,0,0,0,0|0,0,2]=4 112 B13R1.3 COC1=CC=C(C=C1)CCC(=O)Cl PH014654 [1,1,0,0,0,0|1,0,0]=3 113 B13R1.3 COC1=CC=C(C=C1)OCC(=O)O S616656 [1,1,0,0,0,0|1,0,0]=3 114 B13R1.14 COC(=O)/C=C/C1=CC=C(C=C1)O KOB0128 [1,1,0,0,0,0|0,0,2]=4 115 B13R1.14 COC(=O)COC1=CC=C(C=C1)Br EME00079 [1,1,0,0,0,0|2,0,0]=4 116 B13R1.14 COC(=O)COC1=CC=C(C=C1)Cl PH009782 [1,1,0,0,0,0|2,0,0]=4 117 B13R1.14 COC(=O)COC1=CC=C(C=C1)N CDS020172 [1,1,0,0,0,0|2,0,0]=4 118 B13R1.14 COC(=O)CSC1=CC=C(C=C1)Cl S620173 [1,1,0,0,0,0|2,0,0]=4 119 B13R1.14 O=C(COC1=CC=C(C=C1)Cl)NO PH010540 [1,1,0,0,0,0|2,0,0]=4 120 B13R1.132 CC(CC(=O)O)C1=CC=C(C=C1)Br T135860 [1,1,0,0,0,0|1,0,0]=3 121 B13R1.132 CC(CC(=O)O)C1=CC=C(C=C1)Cl PH015633 [1,1,0,0,0,0|1,0,0]=3 122 B13R1.132 CC(CC(=O)O)C1=CC=C(C=C1)O T135879 [1,1,0,0,0,0|0,0,0]=2 123 B13R1.132 CC1=CC=C(C=C1)C(C)CC(=O)O S326283 [1,1,0,0,0,0|1,0,0]=3 124 B13R1.132 NC(CC(=O)O)C1=CC=C(C=C1)Br BBO000769 [1,1,0,0,0,0|1,0,0]=3 125 B13R1.164 CC1=CC(=C(C=C1)NCC(=O)O)C L172472 [1,1,0,0,0,0|2,0,0]=4 126 B13R1.164 CC1=CC=C(C(=C1)Br)OCC(=O)O S697141 [1,1,0,0,0,0|2,0,0]=4 127 B13R1.164 CC1=CC=C(C(=C1)C)CCC(=O)O R245275 [1,1,0,0,0,0|1,0,0]=3 128 B13R1.164 CC1=CC=C(C(=C1)C)OCC(=O)O R703249 [1,1,0,0,0,0|2,0,0]=4 129 B13R1.164 O=C(O)CCC1=CC=C(C=C1Cl)F RNI00047 [1,1,0,0,0,0|1,0,0]=3 130 B13R1.164 O=C(O)CNC1=CC=C(C=C1Cl)Br R822086 [1,1,0,0,0,0|2,0,0]=4 131 B13R1.511 CC1=C(C=C(C=C1)CCC(=O)O)Br T303011 [1,1,0,0,0,0|1,0,0]=3 132 B13R1.511 CC1=CC(=CC=C1Cl)OCC(=O)O CDS006826 [1,1,0,0,0,0|2,0,0]=4 133 B13R1.511 O=C(O)CSC1=CC=C(C(=C1)Cl)Cl R538639 [1,1,0,0,0,0|2,0,0]=4 134 B13R1.512 CC(C)(O)CCC1=CC=C(C=C1)O S350885 [1,1,0,0,0,0|1,0,1]=4 135 B13R1.135 COC(=O)C(C)OC1=CC=CC=C1 JRD1262 [1,1,0,0,0,0|2,0,0]=4 136 B13R1.135 COC(=O)C(C)SC1=CC=CC=C1 S620203 [1,1,0,0,0,0|2,0,0]=4 137 B13R1.135 COC(=O)C(N)CC1=CC=CC=C1 PH011323 [1,1,0,0,0,0|0,0,0]=2 138 B13R1.135 COC(=O)C(N)CC1=NC=CC=C1 PH019122 [1,1,0,0,0,0|1,0,0]=3 139 B13R1.135 COC(=O)[C@@H](O)CC1=CC=CC=C1 PH000793 [1,1,0,0,0,0|1,0,0]=3 140 B13R1.135 COC(=O)[C@H](N)CC1=CC=CC=C1 PH009923 [1,1,0,0,0,0|0,0,0]=2 141 B13R1.135 COC(=O)[C@H](N)CC1=CC=CN=C1 CDS006818 [1,1,0,0,0,0|1,0,0]=3 142 B13R1.148 CC(=O)C(Cl)CC1=CC=CC(=C1)Cl S567183 [1,1,0,0,0,0|2,0,0]=4 143 B13R1.148 CC(OC1=CC=CC(=C1)F)C(=O)O CDS002341 [1,1,0,0,0,0|2,0,0]=4 144 B13R1.148 O=C(O)C(=S)CC1=CC(=CC=C1)O R627119 [1,1,0,0,0,0|1,0,1]=4 145 B13R1.148 O=C(O)C(Br)CC1=CC(=CC=C1)Cl L129844 [1,1,0,0,0,0|1,0,0]=3 146 B13R1.152 CC(=O)C(Br)C(Br)C1=CC=CC=C1 S366706 [1,1,0,0,0,0|2,0,0]=4 147 B13R1.152 CC(C(=O)O)C(C)C1=CC=CC=C1 S697214 [1,1,0,0,0,0|1,0,0]=3 148 B13R1.152 C[C@H](C(=O)O)[C@H](O)C1=CC=CC=C1 T292249 [1,1,0,0,0,0|1,0,0]=3 149 B13R1.152 NC(C(=O)O)C(O)C1=CC=CC=C1 S914851 [1,1,0,0,0,0|0,0,0]=2 150 B13R1.152 NC(C(=O)O)C(O)C1=CN=CC=C1 S914975 [1,1,0,0,0,0|1,0,0]=3 151 B13R1.152 O=C(Cl)C(Br)C(Br)C1=CC=CC=C1 S675954 [1,1,0,0,0,0|2,0,0]=4 152 B13R1.152 O=C(O)C(Br)C(Br)C1=CC=CC=C1 S764841 [1,1,0,0,0,0|1,0,0]=3 153 B13R1.152 O=C(O)C(Cl)C(Cl)C1=CC=CC=C1 PH009327 [1,1,0,0,0,0|1,0,0]=3 154 B13R1.202 CC(=O)C(Cl)CC1=CC=CC=C1Cl S567191 [1,1,0,0,0,0|2,0,0]=4 155 B13R1.202 CC(OC1=C(C=CC=C1)Cl)C(=O)O R425818 [1,1,0,0,0,0|2,0,0]=4 156 B13R1.202 CC(OC1=CC=CC=C1F)C(=O)O CDS011686 [1,1,0,0,0,0|2,0,0]=4 157 B13R1.202 CC1=C(C=CC=C1)CC(N)C(=O)O R410985 [1,1,0,0,0,0|0,0,0]=2 158 B13R1.202 CC1=CC=CC=C1OC(C)C(=O)O PH010162 [1,1,0,0,0,0|2,0,0]=4 159 B13R1.202 NC(CC1=CC=CC=C1Cl)C(=O)O R262129 [1,1,0,0,0,0|0,0,0]=2 160 B13R1.418 CCC(CC1=CC=CC=C1)C(=O)N PH008852 [1,1,0,0,0,0|2,0,0]=4 161 B13R1.418 CCC(OC1=CC=CC=C1)C(=O)O PH010776 [1,1,0,0,0,0|2,0,0]=4 162 B13R1.1073 CC(=O)C(C)(Cl)CC1=CC=CC=C1 S567248 [1,1,0,0,0,0|2,0,0]=4 163 B13R1.1073 CC(C)(CC1=CC=CC=C1)C(=O)N PH007307 [1,1,0,0,0,0|2,0,0]=4 164 B13R1.1073 CC(C)(OC1=CC=CC=C1)C(=O)O PH010089 [1,1,0,0,0,0|2,0,0]=4 165 B13R1.1073 CC(C)(SC1=CC=CC=C1)C(=O)O OTV000153 [1,1,0,0,0,0|2,0,0]=4 166 B13R1.5 COC1=CC=C(C=C1)CC(C)NO PH012699 [1,1,0,0,0,0|2,0,0]=4 167 B13R1.5 COC1=CC=C(C=C1)CC(N)CO PH004943 [1,1,0,0,0,0|0,0,1]=3 168 B13R1.21 NC1=CC=C(C=C1)C(O)C(N)CO PH010891 [1,1,0,0,0,0|1,0,1]=4 169 B13R1.36 COC1=CC=C(C=C1)C(Br)C(=O)O PH016225 [0,1,0,0,1,0|1,0,0]=3 170 B13R1.36 COC1=CC=C(C=C1)[C@@H](N)C(=O)N OMC00018 [0,1,0,0,1,0|1,0,0]=3 171 B13R1.510 NC(C(=O)O)C1=CC=C(C(=C1)F)F CDS022248 [0,1,0,0,1,0|1,0,0]=3 172 B13R1.522 CC(O)(C(=O)O)C1=CC=C(C=C1)Cl OTV000770 [0,1,0,0,1,0|2,0,0]=4 173 B13R1.706 CCC(C(=O)O)C1=CC=C(C=C1)Br CDS016280 [0,1,0,0,1,0|2,0,0]=4 174 B13R1.706 COC(C(=O)O)C1=CC=C(C=C1)C PH018590 [0,1,0,0,1,0|2,0,0]=4 175 B13R1.706 COC(C(=O)O)C1=CC=C(C=C1)Cl PH018559 [0,1,0,0,1,0|2,0,0]=4 176 B15R1.1001 COC(=O)C(C)CSC1=CC=C(C=C1)Cl S614173 [0,1,0,0,0,1|2,0,0]=4 177 B15R1.16 CCOC1=CC=C(C=C1)CC(N)C(=O)O PH010855 [0,2,0,0,0,0|0,0,0]=2 178 B15R1.16 CCOC1=CC=C(C=C1)C[C@@H](N)C(=O)O PH009883 [0,2,0,0,0,0|0,0,0]=2 179 B15R1.16 [C@H](N)(CC1=CC=C(C=C1)OCC)C(=O)O PH011721 [0,2,0,0,0,0|0,0,0]=2 180 B15R1.208 COC1=CC=C(C=C1)C/C(=N/O)/C(=O)O S285536 [0,2,0,0,0,0|0,0,2]=4 181 B15R1.208 COC1=CC=C(C=C1)CC(OC)C(=O)O PH018866 [0,2,0,0,0,0|1,0,0]=3 182 B15R1.216 COC1=CC=C(C=C1)CC(C)(N)C(=O)O PH004962 [0,2,0,0,0,0|0,0,0]=2 183 B15R1.216 COC1=CC=C(C=C1)NC(C)(C)C(=O)O CBR02248 [0,2,0,0,0,0|2,0,0]=4 184 B15R1.495 CC(C)C1=CC=C(C=C1)CC(C)C(=O)O T158518 [0,2,0,0,0,0|2,0,0]=4 185 B15R1.495 CC(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)O T157546 [0,2,0,0,0,0|1,0,1]=4 186 B15R1.495 NC(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)O TMT00101 [0,2,0,0,0,0|0,0,1]=3 187 B15R1.495 [C@H](N)(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)O R267678 [0,2,0,0,0,0|0,0,1]=3 188 B15R1.11315 CC1=CC=C(C=C1)C(O)C(C)(C)C(=O)O L119342 [0,2,0,0,0,0|2,0,0]=4 189 B15R1.1295 C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)O S350079 [0,2,0,0,0,0|0,0,0]=2 190 B15R1.1295 CCO[C@@H](CC1=CC=C(C=C1)O)C(=O)O CDS009152 [0,2,0,0,0,0|1,0,0]=3 191 B15R1.28955 [C@H](N)(CC1=CC(=C(C(=C1)Br)O)Br)C(=O)O S448923 [0,2,0,0,0,0|0,0,0]=2 192 B13R2.155 NC1=CC=C2CCC(=O)NC2=C1 CDS006614 [1,0,0,1,0,0|2,0,0]=4 193 B13R2.155 O=C1CCC2=C(O1)C=C(C=C2)Br IDF00036 [1,0,0,1,0,0|1,0,0]=3 194 B13R2.155 O=C1COC2=CC=C(C=C2N1)O OTV000751 [1,0,0,1,0,0|2,0,0]=4 195 B13R2.369 CC1CC2=CC=CC=C2NC1=O PH002978 [1,0,0,1,0,0|2,0,0]=4 196 B13R2.369 CC1CC2=CC=CC=C2OC1=O T217115 [1,0,0,1,0,0|1,0,0]=3 197 B13R2.423 O=C(O)C1CC1C2=CC=CC=N2 CDS022741 [1,0,0,1,0,0|2,0,0]=4 198 B13R2.423 O=C([O-])C1OC1C2=CC=CC=C2 S354562 [1,0,0,1,0,0|1,0,1]=4 199 B13R2.435 O=C(O)C1OC2=C(O1)C=CC=C2 PH010404 [1,0,0,1,0,0|2,0,0]=4 200 B13R2.42 CC1=CC=C(C=C1)[C@@H]2C[C@H]2C=O PH018823 [1,0,0,1,0,0|2,0,0]=4 201 B15R2.7174 O=C(O)C1CCC2=CC=C(C=C2C1)O CDS005584 [0,0,0,1,0,1|1,0,0]=3 202 B15R2.63893 O=C1OC2=C(C=CC(=C2)O)C(=O)C1F R515922 [0,1,0,1,0,0|1,0,1]=4 203 B15R2.1559 COC(=O)[C@@H]1C[C@H]1C2=CC=C(C=C2)Cl PH008588 [0,1,0,1,0,0|2,0,0]=4 204 B15R2.7180 O=C(O)[C@H]1CC2=CC=C(C=C2CN1)O CDS010445 [0,1,0,1,0,0|0,0,0]=2 205 B11R1.35 NC(CC1=CNC=N1)C(=O)O S580945 [1,0,0,0,1,0|2,0,0]=4 206 B11R1.35 N[C@@H](CC1=CSC=C1)C(=O)O CDS005041 [1,0,0,0,1,0|1,0,0]=3 207 B11R1.35 N[C@@H](CC1=CSC=N1)C(=O)O CDS005165 [1,0,0,0,1,0|2,0,0]=4 208 B11R1.36 CC(=O)C(C)C1=CC=CC=C1 S881112 [1,0,0,0,1,0|2,0,0]=4 209 B11R1.36 CC(C(=O)N)C1=CC=CC=C1 PH007480 [1,0,0,0,1,0|2,0,0]=4 210 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 CDS003589 [1,0,0,0,1,0|1,0,0]=3 211 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 S684473 [1,0,0,0,1,0|1,0,0]=3 212 B11R1.36 O=C(O)C(S)C1=CC=CC=C1 TMT00523 [1,0,0,0,1,0|1,0,0]=3 213 B11R1.36 O=P(O)C(O)C1=CC=CC=C1 S576263 [1,0,0,0,1,0|2,0,0]=4 214 B11R1.22 CCC(N)C1=CC=C(C=C1)O CBR00896 [1,0,0,0,1,0|1,0,1]=4 215 B11R1.22 NC(CO)C1=CC=C(C=C1)Br CDS023854 [1,0,0,0,1,0|1,0,1]=4 216 B13R1.513 CC1=CC=C(C=C1)CCCC(=O)O S532649 [1,0,0,0,0,1|1,0,0]=3 217 B13R1.513 CC1=CC=C(C=C1)CSCC(=O)O EME00118 [1,0,0,0,0,1|1,0,0]=3 218 B13R1.513 NC(=O)CCCC1=CC=C(C=C1)Br S561223 [1,0,0,0,0,1|2,0,0]=4 219 B13R1.513 NC(=O)CCSC1=CC=C(C=C1)Cl S44475 [1,0,0,0,0,1|2,0,0]=4 220 B13R1.513 O=C(O)CCCC1=CC=C(C=C1)Br JRD0697 [1,0,0,0,0,1|1,0,0]=3 221 B13R1.513 O=C(O)CCCC1=CC=C(C=C1)Cl PH005128 [1,0,0,0,0,1|1,0,0]=3 222 B13R1.513 O=C(O)CCSC1=CC=C(C=C1)Cl PH009791 [1,0,0,0,0,1|1,0,0]=3 223 B13R1.513 O=C(O)CC[Te]C1=CC=C(C=C1)Br S50319 [1,0,0,0,0,1|1,0,0]=3 224 B13R1.348 C[C@H](CC1=CC=CC=C1)NC(=O)N PH008163 [1,0,0,0,0,1|2,0,0]=4 225 B13R1.351 CC(CSC1=CC=CC=C1)C(=O)O PH010131 [1,0,0,0,0,1|1,0,0]=3 226 B13R1.351 C[C@H](SCC1=CC=CC=C1)C(=O)O PH017935 [1,0,0,0,0,1|1,0,0]=3 227 B13R1.351 O=C(O)C(=O)CCC1=CC=CC=C1 CDS007841 [1,0,0,0,0,1|1,0,1]=4 228 B15R1.112 CC1=CC=C(C=C1)CSCC(N)C(=O)O R410195 [0,0,0,0,0,2|1,0,0]=3 229 B15R1.112 CC1=CC=C(C=C1)CSC[C@H](N)C(=O)O R410853 [0,0,0,0,0,2|1,0,0]=3