0 B14R1.42 CC(=O)C=CC1=CC(=C(C=C1)O)OC H156987 [0,0,0,0,0,0|1,0,0]=1 1 B14R1.42 CC(=O)CCC1=CC(=C(C=C1)O)OC V117527 [0,0,0,0,0,0|1,0,2]=3 2 B14R1.42 CC(=O)CCC1=CC(=C(C=C1)O)OC V117528 [0,0,0,0,0,0|1,0,2]=3 3 B14R1.42 COC1=C(C=CC(=C1)C=CC(=O)O)O F103701 [0,0,0,0,0,0|0,0,0]=0 4 B14R1.42 COC1=C(C=CC(=C1)C=CC(=O)O)O F103702 [0,0,0,0,0,0|0,0,0]=0 5 B14R1.42 COC1=C(C=CC(=C1)C=CC(=O)O)O F111083 [0,0,0,0,0,0|0,0,0]=0 6 B14R1.42 COC1=C(C=CC(=C1)C=CC(=O)[O-])O S334590 [0,0,0,0,0,0|0,0,1]=1 7 B14R1.42 COC1=C(C=CC(=C1)C=CC(=O)[O-])O S422810 [0,0,0,0,0,0|0,0,1]=1 8 B14R1.42 COC1=C(C=CC(=C1)CCC(=O)O)O H157223 [0,0,0,0,0,0|0,0,2]=2 9 B14R1.42 COC1=C(C=CC(=C1)CCC(=O)O)O H420683 [0,0,0,0,0,0|0,0,2]=2 10 B14R1.42 COC1=CC(=CC=C1O)/C=C/C(O)=O F408603 [0,0,0,0,0,0|0,0,0]=0 11 B13R1.511 C1=CC(=C(C=C1C=CC(=O)O)Br)F B122839 [1,0,0,0,0,0|2,0,0]=3 12 B13R1.511 C1=CC(=C(C=C1C=CC(=O)O)Cl)Cl D166409 [1,0,0,0,0,0|2,0,0]=3 13 B13R1.511 C1=CC(=C(C=C1C=CC(=O)O)F)F D120765 [1,0,0,0,0,0|2,0,0]=3 14 B13R1.511 C1=CC(=C(C=C1C=CC(=O)O)O)O C108306 [1,0,0,0,0,0|0,0,0]=1 15 B13R1.511 C1=CC(=C(C=C1C=CC(=O)O)O)O C108307 [1,0,0,0,0,0|0,0,0]=1 16 B13R1.511 C1=CC(=C(C=C1C=CC(=O)O)O)O C108308 [1,0,0,0,0,0|0,0,0]=1 17 B13R1.511 C1=CC(=C(C=C1C=CC(=O)O)O)O C423391 [1,0,0,0,0,0|0,0,0]=1 18 B13R1.511 C1=CC(=C(C=C1CCC(=O)O)O)O D165817 [1,0,0,0,0,0|0,0,2]=3 19 B13R1.511 C1=CC(=C(C=C1CCC(=O)O)O)O D420537 [1,0,0,0,0,0|0,0,2]=3 20 B13R1.511 CC1=C(C=C(C=C1)CCC(=O)O)C D132862 [1,0,0,0,0,0|1,0,2]=4 21 B13R1.575 COC1=C(C=CC(=C1)C=CC=O)O H303757 [1,0,0,0,0,0|0,0,0]=1 22 B13R1.575 COC1=C(C=CC(=C1)C=CC=O)O H473328 [1,0,0,0,0,0|0,0,0]=1 23 B13R1.575 COC1=C(C=CC(=C1)C=CCO)O C170450 [1,0,0,0,0,0|0,0,1]=2 24 B13R1.575 COC1=C(C=CC(=C1)CCCO)O H136131 [1,0,0,0,0,0|0,0,3]=4 25 B13R1.643 C1=CC(=CC(=C1)C#N)C=CC(=O)O C191400 [1,0,0,0,0,0|2,0,0]=3 26 B13R1.643 COC1=CC=CC(=C1)C=CC(=O)O M102144 [1,0,0,0,0,0|0,0,0]=1 27 B13R1.643 COC1=CC=CC(=C1)C=C[N+](=O)[O-] I169529 [1,0,0,0,0,0|1,0,1]=3 28 B13R1.643 COC1=CC=CC(=C1)CCC(=O)O M137968 [1,0,0,0,0,0|0,0,2]=3 29 B15R1.873 C1=CC(=C(C=C1C=CC(=O)O)[N+](=O)[O-])Cl C120767 [0,1,0,0,0,0|3,0,0]=4 30 B15R1.4038 COC1=C(C=CC(=C1)CC(C(=O)O)N)O R332752 [0,1,0,0,0,0|0,0,2]=3 31 B15R1.4039 COC1=C(C=CC(=C1)C=CC(=O)OC)O F189084 [0,1,0,0,0,0|0,0,0]=1 32 B15R1.4039 COC1=C(C=CC(=C1)C=CC(=O)OC)O F422738 [0,1,0,0,0,0|0,0,0]=1 33 B15R1.4039 COC1=C(C=CC(=C1)CCC(=O)OC)O D136393 [0,1,0,0,0,0|0,0,2]=3 34 B15R1.12854 COC1=C(C=C(C=C1)C=CC(=O)O)OC D100558 [0,1,0,0,0,0|0,0,0]=1 35 B15R1.12854 COC1=C(C=C(C=C1)C=CC(=O)O)OC E191008 [0,1,0,0,0,0|0,0,0]=1 36 B15R1.12854 COC1=C(C=C(C=C1)C=C[N+](=O)[O-])OC D170286 [0,1,0,0,0,0|1,0,1]=3 37 B15R1.12854 COC1=C(C=C(C=C1)CCC(=O)O)OC D101916 [0,1,0,0,0,0|0,0,2]=3 38 B15R2.1754 COC1=C(C=C2C(=C1)C=CC(=O)O2)O S100945 [0,0,0,1,0,0|0,0,0]=1 39 B15R2.1754 COC1=C(C=C2C(=C1)C=CC(=O)O2)O S100946 [0,0,0,1,0,0|0,0,0]=1 40 B15R2.1754 COC1=C(C=C2C(=C1)C=CC(=O)O2)O S426951 [0,0,0,1,0,0|0,0,0]=1 41 B15R2.7688 C1OC2=C(O1)C=C(C=C2)C=CC(=O)O M124601 [0,0,0,1,0,0|0,0,0]=1 42 B15R2.7688 C1OC2=C(O1)C=C(C=C2)C=C[N+](=O)[O-] M275106 [0,0,0,1,0,0|1,0,1]=3 43 B15R2.7688 C1OC2=C(O1)C=C(C=C2)CCC(=O)O M124604 [0,0,0,1,0,0|0,0,2]=3 44 B15R2.7688 CC(=O)CCC1=CC2=C(C=C1)OCO2 P160521 [0,0,0,1,0,0|1,0,2]=4 45 B13R1.52 CC(=O)CC1=CC(=C(C=C1)O)OC H169022 [0,0,0,0,1,0|1,0,1]=3 46 B13R1.52 COC1=C(C=CC(=C1)CC(=O)O)O H156999 [0,0,0,0,1,0|0,0,1]=2 47 B13R1.52 COC1=C(C=CC(=C1)CC(=O)O)O H344776 [0,0,0,0,1,0|0,0,1]=2 48 B13R1.52 COC1=C(C=CC(=C1)CC(=O)O)O H423170 [0,0,0,0,1,0|0,0,1]=2 49 B12R1.21 C1=CC(=CC=C1C=CC(=O)Cl)F F102168 [2,0,0,0,0,0|2,0,0]=4 50 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)Br B104888 [2,0,0,0,0,0|1,0,0]=3 51 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)Cl C100659 [2,0,0,0,0,0|1,0,0]=3 52 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)F F101928 [2,0,0,0,0,0|1,0,0]=3 53 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)N A151768 [2,0,0,0,0,0|1,0,0]=3 54 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)O C108514 [2,0,0,0,0,0|0,0,0]=2 55 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)O C108515 [2,0,0,0,0,0|0,0,0]=2 56 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)O C304525 [2,0,0,0,0,0|0,0,0]=2 57 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)O C304526 [2,0,0,0,0,0|0,0,0]=2 58 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)O C304527 [2,0,0,0,0,0|0,0,0]=2 59 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)O P424326 [2,0,0,0,0,0|0,0,0]=2 60 B12R1.21 C1=CC(=CC=C1CCC(=O)O)O P106355 [2,0,0,0,0,0|0,0,2]=4 61 B12R1.21 C1=CC(=CC=C1CCC(=O)O)O P424325 [2,0,0,0,0,0|0,0,2]=4 62 B12R1.21 CC(=O)C=CC1=CC=C(C=C1)O H169513 [2,0,0,0,0,0|1,0,0]=3 63 B12R1.21 CC1=CC=C(C=C1)C=CC(=O)O M100698 [2,0,0,0,0,0|1,0,0]=3 64 B12R1.226 C1=CC(=CC(=C1)Br)C=CC(=O)O B101938 [2,0,0,0,0,0|1,0,0]=3 65 B12R1.226 C1=CC(=CC(=C1)Br)C=CC(=O)O T162205 [2,0,0,0,0,0|1,0,0]=3 66 B12R1.226 C1=CC(=CC(=C1)Cl)C=CC(=O)O C101735 [2,0,0,0,0,0|1,0,0]=3 67 B12R1.226 C1=CC(=CC(=C1)Cl)C=CC(=O)O C485689 [2,0,0,0,0,0|1,0,0]=3 68 B12R1.226 C1=CC(=CC(=C1)F)C=CC(=O)O F156726 [2,0,0,0,0,0|1,0,0]=3 69 B12R1.226 C1=CC(=CC(=C1)F)C=CC(=O)O I168436 [2,0,0,0,0,0|1,0,0]=3 70 B12R1.226 C1=CC(=CC(=C1)N)C=CC(=O)O E405645 [2,0,0,0,0,0|1,0,0]=3 71 B12R1.226 C1=CC(=CC(=C1)O)C=CC(=O)O H100569 [2,0,0,0,0,0|0,0,0]=2 72 B12R1.226 C1=CC(=CC(=C1)O)CCC(=O)O H194243 [2,0,0,0,0,0|0,0,2]=4 73 B12R1.226 C1=CC(=CC(=C1)O)CCC(=O)O H425147 [2,0,0,0,0,0|0,0,2]=4 74 B12R1.226 CC1=CC(=CC=C1)C=CC(=O)O M158083 [2,0,0,0,0,0|0,0,0]=2 75 B12R1.226 CC1=CC(=CC=C1)CCC(=O)O M470031 [2,0,0,0,0,0|0,0,2]=4 76 B12R1.226 CC1=CC(=CC=C1)OCC(=O)O M132501 [2,0,0,0,0,0|1,0,1]=4 77 B12R1.286 CC=CC1=CC(=C(C=C1)O)OC I109576 [2,0,0,0,0,0|0,0,1]=3 78 B12R1.286 CC=CC1=CC(=C(C=C1)O)OC I109577 [2,0,0,0,0,0|0,0,1]=3 79 B12R1.286 CC=CC1=CC(=C(C=C1)O)OC I427191 [2,0,0,0,0,0|0,0,1]=3 80 B12R1.286 COC1=C(C=CC(=C1)C=NO)O V169275 [2,0,0,0,0,0|1,0,0]=3 81 B12R1.286 COC1=C(C=CC(=C1)CC=C)O E110640 [2,0,0,0,0,0|0,0,1]=3 82 B12R1.286 COC1=C(C=CC(=C1)CC=C)O E110642 [2,0,0,0,0,0|0,0,1]=3 83 B12R1.286 COC1=C(C=CC(=C1)CC=C)O E427189 [2,0,0,0,0,0|0,0,1]=3 84 B12R1.286 COC1=C(C=CC(=C1)CCO)O H168903 [2,0,0,0,0,0|0,0,2]=4 85 B14R1.686 C1=CC(=C(C=C1CC(C(=O)O)N)O)O D111048 [1,1,0,0,0,0|0,0,2]=4 86 B14R1.686 C1=CC(=C(C=C1CC(C(=O)O)N)O)O D111049 [1,1,0,0,0,0|0,0,2]=4 87 B14R1.686 C1=CC(=C(C=C1CC(C(=O)O)N)O)O D113507 [1,1,0,0,0,0|0,0,2]=4 88 B14R1.686 C1=CC(=C(C=C1CC(C(=O)O)N)O)O D154657 [1,1,0,0,0,0|0,0,2]=4 89 B14R1.686 C1=CC(=C(C=C1CC(C(=O)O)O)O)O D342155 [1,1,0,0,0,0|0,0,2]=4 90 B14R1.686 C1=CC(=C(C=C1CC(C(=O)O)O)O)O D425886 [1,1,0,0,0,0|0,0,2]=4 91 B14R1.833 COC(=O)C=CC1=CC(=C(C=C1)O)O M158462 [1,1,0,0,0,0|0,0,0]=2 92 B14R1.3653 COC1=C(C=C(C=C1)C=CC(=O)O)O E588433 [1,1,0,0,0,0|0,0,0]=2 93 B14R1.3653 COC1=C(C=C(C=C1)C=CC(=O)O)O I115853 [1,1,0,0,0,0|0,0,0]=2 94 B14R1.3653 COC1=C(C=C(C=C1)C=CC(=O)O)O I131024 [1,1,0,0,0,0|0,0,0]=2 95 B14R1.3653 COC1=C(C=C(C=C1)C=CC(=O)O)O I424601 [1,1,0,0,0,0|0,0,0]=2 96 B14R1.15552 C1=C(C=C(C(=C1F)F)F)C=CC(=O)O T122841 [1,1,0,0,0,0|2,0,0]=4 97 B14R1.74 COC1=CC=CC(=C1)C(CC(=O)O)N A185994 [1,1,0,0,0,0|0,0,2]=4 98 B14R1.6355 B(C1=CC(=CC=C1)C=CC(=O)O)(O)O C300575 [1,1,0,0,0,0|2,0,0]=4 99 B14R1.6355 C1=CC(=CC(=C1)[N+](=O)[O-])C=CC(=O)O T101925 [1,1,0,0,0,0|2,0,0]=4 100 B14R1.41 COC1=C(C=CC(=C1)C(C(=O)O)O)O H113502 [0,1,0,0,1,0|0,0,1]=3 101 B14R1.3651 CC(=O)CC1=CC(=C(C=C1)OC)OC D139264 [0,1,0,0,1,0|1,0,1]=4 102 B14R1.3651 COC1=C(C=C(C=C1)CC(=O)O)OC D106270 [0,1,0,0,1,0|0,0,1]=3 103 B16R1.4275 COC1=C(C=C(C=C1)CCCC(=O)O)OC D351439 [0,1,0,0,0,1|0,0,2]=4 104 B16R1.423 COC1=CC(=CC(=C1O)OC)C=CC(=O)O S106903 [0,2,0,0,0,0|0,0,0]=2 105 B16R1.423 COC1=CC(=CC(=C1O)OC)C=CC(=O)O S130836 [0,2,0,0,0,0|0,0,0]=2 106 B16R1.4273 COC1=C(C=C(C=C1)C(CC(=O)O)N)OC A138705 [0,2,0,0,0,0|0,0,2]=4 107 B16R1.4274 COC1=C(C=C(C=C1)CC(C(=O)O)N)OC D136231 [0,2,0,0,0,0|0,0,2]=4 108 B16R1.15083 CCOC(=O)C=CC1=CC(=C(C=C1)O)OC F104905 [0,2,0,0,0,0|0,0,0]=2 109 B14R1.563 COC1=CC(=CC(=C1O)C(=O)O)C=O C478988 [0,0,1,1,0,0|1,0,0]=3 110 B14R2.4513 C1=CC(=C(C2=C1C=CC(=O)O2)O)O D155111 [1,0,0,1,0,0|0,0,0]=2 111 B14R2.4513 OC1=CC=C2C=CC(=O)OC2=C1O D408432 [1,0,0,1,0,0|0,0,0]=2 112 B14R2.8239 C1=CC(=O)OC2=CC(=C(C=C21)O)O D114065 [1,0,0,1,0,0|0,0,0]=2 113 B14R2.8239 C1=CC(=O)OC2=CC(=C(C=C21)O)O D118867 [1,0,0,1,0,0|0,0,0]=2 114 B14R2.8239 C1=CC(=O)OC2=CC(=C(C=C21)O)O D423160 [1,0,0,1,0,0|0,0,0]=2 115 B14R2.203 COC1=C(C=CC2=CC=CC=C21)Br B589676 [1,0,0,1,0,0|2,0,0]=4 116 B14R2.1128 COC1=CC2=CC=CC=C2C=C1Br B405166 [1,0,0,1,0,0|2,0,0]=4 117 B14R2.1128 COC1=CC2=CC=CC=C2C=C1O M468878 [1,0,0,1,0,0|1,0,0]=3 118 B14R2.2332 C1=CC2=C(C=CC(=O)O2)C=C1C=O C352704 [1,0,0,1,0,0|2,0,0]=4 119 B14R2.2332 C1=CC2=C(C=CC(=O)O2)C=C1N=O N355649 [1,0,0,1,0,0|2,0,0]=4 120 B14R2.2332 CC1=NC2=C(C=C1)C=C(C=C2)OC M158067 [1,0,0,1,0,0|2,0,0]=4 121 B14R2.2332 COC1=CC2=C(C=C1)C=C(C=C2)Br B135939 [1,0,0,1,0,0|2,0,0]=4 122 B14R2.2332 COC1=CC2=C(C=C1)C=C(C=C2)O M134987 [1,0,0,1,0,0|1,0,0]=3 123 B14R2.11684 CC1=NC2=C(C=CC=C2OC)C=C1 M158106 [1,0,0,1,0,0|2,0,0]=4 124 B14R2.1008 C1COC2=C1C=C(C=C2)CC(=O)O D186108 [0,0,0,1,1,0|1,0,1]=4 125 B14R2.1008 C1OC2=C(O1)C=C(C=C2)CC(=O)O M136536 [0,0,0,1,1,0|0,0,1]=3 126 B16R2.36472 COC1=C(C(=C2C(=C1)C=CC(=O)O2)O)O F115713 [0,1,0,1,0,0|0,0,0]=2 127 B16R2.36472 COC1=C(C(=C2C(=C1)C=CC(=O)O2)O)O F396636 [0,1,0,1,0,0|0,0,0]=2 128 B16R2.12045 CC(=O)C1=C(C=CC2=C1OC(=O)C=C2)O A469526 [0,1,0,1,0,0|1,0,0]=3 129 B16R2.9280 CC1=CC(=O)OC2=C1C=CC(=C2C=O)O C167186 [0,1,0,1,0,0|2,0,0]=4 130 B16R2.1461 COC1=C(C=C2C(=C1)C=CC(=O)O2)OC D101245 [0,1,0,1,0,0|0,0,0]=2 131 B16R2.1461 COC1=C(C=C2C(=C1)C=CC(=O)O2)OC D101246 [0,1,0,1,0,0|0,0,0]=2 132 B16R3.10840 C1=CC(=O)OC2=CC3=C(C=CO3)C=C21 P101248 [0,0,0,2,0,0|1,0,1]=4 133 B16R3.10840 C1=CC(=O)OC2=CC3=C(C=CO3)C=C21 P101249 [0,0,0,2,0,0|1,0,1]=4 134 B16R3.10840 C1=CC(=O)OC2=CC3=C(C=CO3)C=C21 P425374 [0,0,0,2,0,0|1,0,1]=4 135 B16R3.11020 C1=CC2=C(C=CO2)C3=C1C=CC(=O)O3 A115192 [0,0,0,2,0,0|1,0,1]=4 136 B16R3.11020 C1=CC2=C(C=CO2)C3=C1C=CC(=O)O3 A141501 [0,0,0,2,0,0|1,0,1]=4 137 B12R1.19 C1=CC(=C(C=C1CC(=O)O)Br)O B489539 [1,0,0,0,1,0|1,0,1]=4 138 B12R1.19 C1=CC(=C(C=C1CC(=O)O)F)O F184619 [1,0,0,0,1,0|1,0,1]=4 139 B12R1.19 C1=CC(=C(C=C1CC(=O)O)O)O D106475 [1,0,0,0,1,0|0,0,1]=3 140 B12R1.19 C1=CC(=C(C=C1CC(=O)O)O)O D420377 [1,0,0,0,1,0|0,0,1]=3 141 B12R1.19 CC(=O)CC1=CC(=C(C=C1)O)O D169021 [1,0,0,0,1,0|1,0,1]=4 142 B12R1.19 CC1=C(C=C(C=C1)CC(=O)O)C D182074 [1,0,0,0,1,0|1,0,1]=4 143 B12R1.438 CC(=O)CC1=CC(=CC=C1)OC M138635 [1,0,0,0,1,0|1,0,1]=4 144 B12R1.438 COC1=CC=CC(=C1)CC(=O)O M115481 [1,0,0,0,1,0|0,0,1]=3 145 B12R1.56 C1=CC(=C(C=C1C(=O)O)C=O)O F133507 [0,0,0,0,2,0|2,0,0]=4 146 B12R1.56 CC(=O)C1=CC(=C(C=C1)F)OC F123263 [0,0,0,0,2,0|2,0,0]=4 147 B12R1.56 CC(=O)C1=CC(=C(C=C1)O)OC H156885 [0,0,0,0,2,0|1,0,0]=3 148 B12R1.56 CC(=O)C1=CC(=C(C=C1)O)OC H424289 [0,0,0,0,2,0|1,0,0]=3 149 B12R1.56 CC1=C(C=C(C=C1)C(=O)O)OC M123414 [0,0,0,0,2,0|1,0,0]=3 150 B12R1.56 COC1=C(C=CC(=C1)C(=O)O)Cl C153822 [0,0,0,0,2,0|1,0,0]=3 151 B12R1.56 COC1=C(C=CC(=C1)C(=O)O)F F123929 [0,0,0,0,2,0|1,0,0]=3 152 B12R1.56 COC1=C(C=CC(=C1)C(=O)O)N A122444 [0,0,0,0,2,0|1,0,0]=3 153 B12R1.56 COC1=C(C=CC(=C1)C(=O)O)O V104428 [0,0,0,0,2,0|0,0,0]=2 154 B12R1.56 COC1=C(C=CC(=C1)C(=O)O)O V420927 [0,0,0,0,2,0|0,0,0]=2 155 B12R1.56 COC1=C(C=CC(=C1)C(=O)[O-])O S161403 [0,0,0,0,2,0|0,0,1]=3 156 B12R1.56 COC1=C(C=CC(=C1)[N+](=O)[O-])O N159820 [0,0,0,0,2,0|1,0,1]=4