0 B14R1.42 CC(=O)C=CC1=CC(=C(C=C1)O)OC H156987 [0,0,0,0,0,0|0,0,2]=2 1 B14R1.42 CC(=O)CCC1=CC(=C(C=C1)O)OC V117527 [0,0,0,0,0,0|0,0,0]=0 2 B14R1.42 CC(=O)CCC1=CC(=C(C=C1)O)OC V117528 [0,0,0,0,0,0|0,0,0]=0 3 B14R1.42 COC1=C(C=CC(=C1)C=CC(=O)O)O F103701 [0,0,0,0,0,0|1,0,2]=3 4 B14R1.42 COC1=C(C=CC(=C1)C=CC(=O)O)O F103702 [0,0,0,0,0,0|1,0,2]=3 5 B14R1.42 COC1=C(C=CC(=C1)C=CC(=O)O)O F111083 [0,0,0,0,0,0|1,0,2]=3 6 B14R1.42 COC1=C(C=CC(=C1)C=CC(=O)[O-])O S334590 [0,0,0,0,0,0|1,0,2]=3 7 B14R1.42 COC1=C(C=CC(=C1)C=CC(=O)[O-])O S422810 [0,0,0,0,0,0|1,0,2]=3 8 B14R1.42 COC1=C(C=CC(=C1)CCC(=O)O)O H157223 [0,0,0,0,0,0|1,0,0]=1 9 B14R1.42 COC1=C(C=CC(=C1)CCC(=O)O)O H420683 [0,0,0,0,0,0|1,0,0]=1 10 B14R1.42 COC1=CC(=CC=C1O)/C=C/C(O)=O F408603 [0,0,0,0,0,0|1,0,2]=3 11 B13R1.511 C1=CC(=C(C=C1C=CC(=O)O)O)O C108306 [1,0,0,0,0,0|1,0,2]=4 12 B13R1.511 C1=CC(=C(C=C1C=CC(=O)O)O)O C108307 [1,0,0,0,0,0|1,0,2]=4 13 B13R1.511 C1=CC(=C(C=C1C=CC(=O)O)O)O C108308 [1,0,0,0,0,0|1,0,2]=4 14 B13R1.511 C1=CC(=C(C=C1C=CC(=O)O)O)O C423391 [1,0,0,0,0,0|1,0,2]=4 15 B13R1.511 C1=CC(=C(C=C1CCC(=O)O)Cl)Cl D183153 [1,0,0,0,0,0|3,0,0]=4 16 B13R1.511 C1=CC(=C(C=C1CCC(=O)O)F)F D167695 [1,0,0,0,0,0|3,0,0]=4 17 B13R1.511 C1=CC(=C(C=C1CCC(=O)O)O)O D165817 [1,0,0,0,0,0|1,0,0]=2 18 B13R1.511 C1=CC(=C(C=C1CCC(=O)O)O)O D420537 [1,0,0,0,0,0|1,0,0]=2 19 B13R1.511 CC1=C(C=C(C=C1)CCC(=O)O)C D132862 [1,0,0,0,0,0|2,0,0]=3 20 B13R1.575 CCOCC1=CC(=C(C=C1)O)OC E156219 [1,0,0,0,0,0|1,0,1]=3 21 B13R1.575 COC1=C(C=CC(=C1)C=CC=O)O H303757 [1,0,0,0,0,0|0,0,2]=3 22 B13R1.575 COC1=C(C=CC(=C1)C=CC=O)O H473328 [1,0,0,0,0,0|0,0,2]=3 23 B13R1.575 COC1=C(C=CC(=C1)CCCO)O H136131 [1,0,0,0,0,0|0,0,2]=3 24 B13R1.643 CC(COC1=CC=CC(=C1)OC)O M158680 [1,0,0,0,0,0|1,0,2]=4 25 B13R1.643 COC1=CC=CC(=C1)C=CC(=O)O M102144 [1,0,0,0,0,0|1,0,2]=4 26 B13R1.643 COC1=CC=CC(=C1)CCC(=O)O M137968 [1,0,0,0,0,0|1,0,0]=2 27 B15R1.873 C1=CC(=C(C=C1CCC(=O)O)[N+](=O)[O-])O H184170 [0,1,0,0,0,0|3,0,0]=4 28 B15R1.4038 COC1=C(C=CC(=C1)CC(C(=O)O)N)O R332752 [0,1,0,0,0,0|1,0,0]=2 29 B15R1.4039 COC1=C(C=CC(=C1)C=CC(=O)OC)O F189084 [0,1,0,0,0,0|0,0,2]=3 30 B15R1.4039 COC1=C(C=CC(=C1)C=CC(=O)OC)O F422738 [0,1,0,0,0,0|0,0,2]=3 31 B15R1.4039 COC1=C(C=CC(=C1)CCC(=O)OC)O D136393 [0,1,0,0,0,0|0,0,0]=1 32 B15R1.12854 COC1=C(C=C(C=C1)C=CC(=O)O)OC D100558 [0,1,0,0,0,0|1,0,2]=4 33 B15R1.12854 COC1=C(C=C(C=C1)C=CC(=O)O)OC E191008 [0,1,0,0,0,0|1,0,2]=4 34 B15R1.12854 COC1=C(C=C(C=C1)CCC(=O)O)OC D101916 [0,1,0,0,0,0|1,0,0]=2 35 B15R2.1754 COC1=C(C=C2C(=C1)C=CC(=O)O2)O S100945 [0,0,0,1,0,0|1,0,2]=4 36 B15R2.1754 COC1=C(C=C2C(=C1)C=CC(=O)O2)O S100946 [0,0,0,1,0,0|1,0,2]=4 37 B15R2.1754 COC1=C(C=C2C(=C1)C=CC(=O)O2)O S426951 [0,0,0,1,0,0|1,0,2]=4 38 B15R2.7688 C1OC2=C(O1)C=C(C=C2)C=CC(=O)O M124601 [0,0,0,1,0,0|1,0,2]=4 39 B15R2.7688 C1OC2=C(O1)C=C(C=C2)CCC(=O)O M124604 [0,0,0,1,0,0|1,0,0]=2 40 B15R2.7688 CC(=O)CCC1=CC2=C(C=C1)OCO2 P160521 [0,0,0,1,0,0|0,0,0]=1 41 B13R1.52 CC(=O)CC1=CC(=C(C=C1)O)OC H169022 [0,0,0,0,1,0|0,0,0]=1 42 B13R1.52 COC1=C(C=CC(=C1)CC(=O)O)O H156999 [0,0,0,0,1,0|1,0,0]=2 43 B13R1.52 COC1=C(C=CC(=C1)CC(=O)O)O H344776 [0,0,0,0,1,0|1,0,0]=2 44 B13R1.52 COC1=C(C=CC(=C1)CC(=O)O)O H423170 [0,0,0,0,1,0|1,0,0]=2 45 B12R1.21 C1=CC(=CC=C1CCC(=O)O)Br B123074 [2,0,0,0,0,0|2,0,0]=4 46 B12R1.21 C1=CC(=CC=C1CCC(=O)O)Cl C138442 [2,0,0,0,0,0|2,0,0]=4 47 B12R1.21 C1=CC(=CC=C1CCC(=O)O)F F156733 [2,0,0,0,0,0|2,0,0]=4 48 B12R1.21 C1=CC(=CC=C1CCC(=O)O)N A151460 [2,0,0,0,0,0|2,0,0]=4 49 B12R1.21 C1=CC(=CC=C1CCC(=O)O)O P106355 [2,0,0,0,0,0|1,0,0]=3 50 B12R1.21 C1=CC(=CC=C1CCC(=O)O)O P424325 [2,0,0,0,0,0|1,0,0]=3 51 B12R1.21 CC(=O)C=CC1=CC=C(C=C1)O H169513 [2,0,0,0,0,0|0,0,2]=4 52 B12R1.21 CC(=O)CCC1=CC=C(C=C1)O H156889 [2,0,0,0,0,0|0,0,0]=2 53 B12R1.21 CC(=O)CSC1=CC=C(C=C1)Cl C169088 [2,0,0,0,0,0|2,0,0]=4 54 B12R1.21 CC(CCC1=CC=C(C=C1)O)O R134727 [2,0,0,0,0,0|0,0,2]=4 55 B12R1.21 CC1=CC=C(C=C1)CCC(=O)O P138270 [2,0,0,0,0,0|2,0,0]=4 56 B12R1.21 CC1=CC=C(C=C1)COC(=O)C M117867 [2,0,0,0,0,0|2,0,0]=4 57 B12R1.21 CN(C)CCC1=CC=C(C=C1)O H115723 [2,0,0,0,0,0|2,0,0]=4 58 B12R1.21 CN(C)CCC1=CC=C(C=C1)O H194142 [2,0,0,0,0,0|2,0,0]=4 59 B12R1.21 CN(C)CCC1=CC=C(O)C=C1 H408782 [2,0,0,0,0,0|2,0,0]=4 60 B12R1.226 C1=CC(=CC(=C1)Br)CCC(=O)O W135520 [2,0,0,0,0,0|2,0,0]=4 61 B12R1.226 C1=CC(=CC(=C1)Cl)CCC(=O)O C132834 [2,0,0,0,0,0|2,0,0]=4 62 B12R1.226 C1=CC(=CC(=C1)F)CCC(=O)O F138869 [2,0,0,0,0,0|2,0,0]=4 63 B12R1.226 C1=CC(=CC(=C1)N)CCC(=O)O A191401 [2,0,0,0,0,0|2,0,0]=4 64 B12R1.226 C1=CC(=CC(=C1)O)CCC(=O)O H194243 [2,0,0,0,0,0|1,0,0]=3 65 B12R1.226 C1=CC(=CC(=C1)O)CCC(=O)O H425147 [2,0,0,0,0,0|1,0,0]=3 66 B12R1.226 CC1=CC(=CC=C1)CCC(=O)O M470031 [2,0,0,0,0,0|1,0,0]=3 67 B12R1.226 CC1=CC(=CC=C1)OCC(=O)N M351510 [2,0,0,0,0,0|2,0,0]=4 68 B12R1.226 CC1=CC(=CC=C1)OCC(=O)O M132501 [2,0,0,0,0,0|2,0,0]=4 69 B12R1.286 CC=CC1=CC(=C(C=C1)O)OC I109576 [2,0,0,0,0,0|0,0,1]=3 70 B12R1.286 CC=CC1=CC(=C(C=C1)O)OC I109577 [2,0,0,0,0,0|0,0,1]=3 71 B12R1.286 CC=CC1=CC(=C(C=C1)O)OC I427191 [2,0,0,0,0,0|0,0,1]=3 72 B12R1.286 CCCC1=CC(=C(C=C1)O)OC M192495 [2,0,0,0,0,0|0,0,0]=2 73 B12R1.286 COC1=C(C=CC(=C1)CC#N)O H170413 [2,0,0,0,0,0|1,0,1]=4 74 B12R1.286 COC1=C(C=CC(=C1)CC=C)O E110640 [2,0,0,0,0,0|0,0,1]=3 75 B12R1.286 COC1=C(C=CC(=C1)CC=C)O E110642 [2,0,0,0,0,0|0,0,1]=3 76 B12R1.286 COC1=C(C=CC(=C1)CC=C)O E427189 [2,0,0,0,0,0|0,0,1]=3 77 B12R1.286 COC1=C(C=CC(=C1)CCN)O A303971 [2,0,0,0,0,0|1,0,0]=3 78 B12R1.286 COC1=C(C=CC(=C1)CCN)O M121758 [2,0,0,0,0,0|1,0,0]=3 79 B12R1.286 COC1=C(C=CC(=C1)CCN)O M419970 [2,0,0,0,0,0|1,0,0]=3 80 B12R1.286 COC1=C(C=CC(=C1)CCO)O H168903 [2,0,0,0,0,0|0,0,1]=3 81 B12R1.382 COC1=CC=CC(=C1)CCCN M168141 [2,0,0,0,0,0|1,0,1]=4 82 B12R1.382 COC1=CC=CC(=C1)CN=C=O M171043 [2,0,0,0,0,0|1,0,1]=4 83 B14R1.685 CN(C)CC(C1=CC(=C(C=C1)O)O)O R339890 [1,1,0,0,0,0|2,0,0]=4 84 B14R1.686 C1=CC(=C(C=C1CC(C(=O)O)N)Cl)O C189195 [1,1,0,0,0,0|2,0,0]=4 85 B14R1.686 C1=CC(=C(C=C1CC(C(=O)O)N)F)O F113768 [1,1,0,0,0,0|2,0,0]=4 86 B14R1.686 C1=CC(=C(C=C1CC(C(=O)O)N)F)O F156612 [1,1,0,0,0,0|2,0,0]=4 87 B14R1.686 C1=CC(=C(C=C1CC(C(=O)O)N)O)O D111048 [1,1,0,0,0,0|1,0,0]=3 88 B14R1.686 C1=CC(=C(C=C1CC(C(=O)O)N)O)O D111049 [1,1,0,0,0,0|1,0,0]=3 89 B14R1.686 C1=CC(=C(C=C1CC(C(=O)O)N)O)O D113507 [1,1,0,0,0,0|1,0,0]=3 90 B14R1.686 C1=CC(=C(C=C1CC(C(=O)O)N)O)O D154657 [1,1,0,0,0,0|1,0,0]=3 91 B14R1.686 C1=CC(=C(C=C1CC(C(=O)O)O)O)O D342155 [1,1,0,0,0,0|1,0,0]=3 92 B14R1.686 C1=CC(=C(C=C1CC(C(=O)O)O)O)O D425886 [1,1,0,0,0,0|1,0,0]=3 93 B14R1.686 C1=CC(=C(C=C1CC(C(=O)[O-])O)O)O S110197 [1,1,0,0,0,0|1,0,0]=3 94 B14R1.686 C1=CC(=C(C=C1CC(C(=O)[O-])O)O)O S110198 [1,1,0,0,0,0|1,0,0]=3 95 B14R1.686 C1=CC(=C(C=C1CC(C(=O)[O-])O)O)O S425413 [1,1,0,0,0,0|1,0,0]=3 96 B14R1.833 COC(=O)C=CC1=CC(=C(C=C1)O)O M158462 [1,1,0,0,0,0|0,0,2]=4 97 B14R1.626 CNCC(C1=CC(=C(C=C1)O)OC)O R134561 [1,1,0,0,0,0|1,0,0]=3 98 B14R1.626 CNCC(C1=CC(=C(C=C1)O)OC)O R334362 [1,1,0,0,0,0|1,0,0]=3 99 B14R1.793 CNCCC1=CC(=C(C=C1)OC)OC D137579 [1,1,0,0,0,0|1,0,0]=3 100 B14R1.793 COC1=C(C=C(C=C1)CCCO)OC D351708 [1,1,0,0,0,0|0,0,2]=4 101 B14R1.74 COC1=CC=CC(=C1)C(CC(=O)O)N A185994 [1,1,0,0,0,0|1,0,0]=3 102 B14R1.41 COC1=C(C=CC(=C1)C(C(=O)O)O)O H113502 [0,1,0,0,1,0|1,0,0]=3 103 B14R1.705 CC(=O)C1=C(C=CC(=C1)NC(=O)C)O A151424 [0,1,0,0,1,0|2,0,0]=4 104 B14R1.3651 CC(=O)CC1=CC(=C(C=C1)OC)OC D139264 [0,1,0,0,1,0|0,0,0]=2 105 B14R1.3651 COC1=C(C=C(C=C1)CC(=O)O)OC D106270 [0,1,0,0,1,0|1,0,0]=3 106 B16R1.4275 COC1=C(C=C(C=C1)CCCC(=O)O)OC D351439 [0,1,0,0,0,1|1,0,0]=3 107 B16R1.4273 COC1=C(C=C(C=C1)C(CC(=O)O)N)OC A138705 [0,2,0,0,0,0|1,0,0]=3 108 B16R1.4274 COC1=C(C=C(C=C1)CC(C(=O)O)N)OC D136231 [0,2,0,0,0,0|1,0,0]=3 109 B16R1.4276 COC1=C(C=C(C=C1)CNC(=O)CCl)OC D413345 [0,2,0,0,0,0|1,0,0]=3 110 B16R1.15083 CCOC(=O)C=CC1=CC(=C(C=C1)O)OC F104905 [0,2,0,0,0,0|0,0,2]=4 111 B14R2.1128 COC1=C(C=C2C=NCCC2=C1)O H589182 [1,0,0,1,0,0|1,0,1]=4 112 B14R2.2332 COC1=CC2=C(CC(=O)CC2)C=C1 M119739 [1,0,0,1,0,0|0,0,0]=2 113 B14R2.1008 C1COC2=C1C=C(C=C2)CC(=O)O D186108 [0,0,0,1,1,0|2,0,0]=4 114 B14R2.1008 C1OC2=C(O1)C=C(C=C2)CC(=O)O M136536 [0,0,0,1,1,0|1,0,0]=3 115 B12R1.19 C1=CC(=C(C=C1CC(=O)O)Br)O B489539 [1,0,0,0,1,0|2,0,0]=4 116 B12R1.19 C1=CC(=C(C=C1CC(=O)O)F)O F184619 [1,0,0,0,1,0|2,0,0]=4 117 B12R1.19 C1=CC(=C(C=C1CC(=O)O)O)O D106475 [1,0,0,0,1,0|1,0,0]=3 118 B12R1.19 C1=CC(=C(C=C1CC(=O)O)O)O D420377 [1,0,0,0,1,0|1,0,0]=3 119 B12R1.19 CC(=O)CC1=CC(=C(C=C1)O)O D169021 [1,0,0,0,1,0|0,0,0]=2 120 B12R1.19 CC(=O)NC1=CC(=C(C=C1)O)Cl N193187 [1,0,0,0,1,0|2,0,0]=4 121 B12R1.19 CC1=C(C=C(C=C1)CC(=O)O)C D182074 [1,0,0,0,1,0|2,0,0]=4 122 B12R1.19 CC1=C(C=C(C=C1)NC(=O)C)C D154873 [1,0,0,0,1,0|2,0,0]=4 123 B12R1.19 CC1=C(C=CC(=C1)NC(=O)C)Br B152342 [1,0,0,0,1,0|2,0,0]=4 124 B12R1.438 CC(=O)CC1=CC(=CC=C1)OC M138635 [1,0,0,0,1,0|0,0,0]=2 125 B12R1.438 COC1=CC=CC(=C1)CC(=O)O M115481 [1,0,0,0,1,0|1,0,0]=3 126 B12R1.56 CC(=O)C1=CC(=C(C=C1)F)OC F123263 [0,0,0,0,2,0|1,0,0]=3 127 B12R1.56 CC(=O)C1=CC(=C(C=C1)O)CO H588973 [0,0,0,0,2,0|2,0,0]=4 128 B12R1.56 CC(=O)C1=CC(=C(C=C1)O)OC H156885 [0,0,0,0,2,0|0,0,0]=2 129 B12R1.56 CC(=O)C1=CC(=C(C=C1)O)OC H424289 [0,0,0,0,2,0|0,0,0]=2 130 B12R1.56 CC1=C(C=C(C=C1)C(=O)O)OC M123414 [0,0,0,0,2,0|2,0,0]=4 131 B12R1.56 COC1=C(C=CC(=C1)C(=O)O)Cl C153822 [0,0,0,0,2,0|2,0,0]=4 132 B12R1.56 COC1=C(C=CC(=C1)C(=O)O)F F123929 [0,0,0,0,2,0|2,0,0]=4 133 B12R1.56 COC1=C(C=CC(=C1)C(=O)O)N A122444 [0,0,0,0,2,0|2,0,0]=4 134 B12R1.56 COC1=C(C=CC(=C1)C(=O)O)O V104428 [0,0,0,0,2,0|1,0,0]=3 135 B12R1.56 COC1=C(C=CC(=C1)C(=O)O)O V420927 [0,0,0,0,2,0|1,0,0]=3 136 B12R1.56 COC1=C(C=CC(=C1)C(=O)[O-])O S161403 [0,0,0,0,2,0|1,0,0]=3 137 B12R1.56 COC1=C(C=CC(=C1)[N+](=O)[O-])O N159820 [0,0,0,0,2,0|2,0,0]=4