0 B13R2.328 C1=CC=C2C(=C1)C(=CC(=O)O2)O H107607 [0,0,0,0,0,0|2,0,2]=4 1 B13R2.328 C1=CC=C2C(=C1)C(=O)C=C(N2)N B301240 [0,0,0,0,0,0|4,0,0]=4 2 B13R2.328 C1=CC=C2C(=C1)C(=O)NC(=N2)N A331977 [0,0,0,0,0,0|4,0,0]=4 3 B13R2.328 C1=CC=C2C(=C1)C(=O)NC(=O)N2 B152549 [0,0,0,0,0,0|3,0,1]=4 4 B13R2.328 C1=CC=C2C(=C1)C(=O)NC(=O)O2 B123043 [0,0,0,0,0,0|2,0,1]=3 5 B13R2.328 C1=CC=C2C(=C1)C(=O)NC(=S)N2 M158467 [0,0,0,0,0,0|3,1,0]=4 6 B13R2.328 C1=CC=C2C(=C1)C(=O)OC(=O)N2 I157688 [0,0,0,0,0,0|2,0,1]=3 7 B13R2.328 C1=CC=C2C(=C1)C=C(C=C2Br)O B589453 [0,0,0,0,0,0|4,0,0]=4 8 B13R2.328 C1=CC=C2C(=C1)C=C(C=C2O)O D106385 [0,0,0,0,0,0|3,0,1]=4 9 B13R2.328 C1C2=CC=CC=C2C(=O)NC1=O I193440 [0,0,0,0,0,0|3,0,1]=4 10 B13R2.328 C1C2=CC=CC=C2C(=O)OC1=O H134415 [0,0,0,0,0,0|2,0,1]=3 11 B13R2.328 CC1=CC(=O)C2=CC=CC=C2N1 H120274 [0,0,0,0,0,0|4,0,0]=4 12 B13R2.328 CC1=CC(=O)C2=CC=CC=C2O1 M589535 [0,0,0,0,0,0|3,0,0]=3 13 B13R2.328 CC1=CC(=O)OC2=CC=CC=C12 M404694 [0,0,0,0,0,0|3,0,1]=4 14 B13R2.328 CC1=NC2=CC=CC=C2C(=O)N1 M158468 [0,0,0,0,0,0|4,0,0]=4 15 B13R2.328 CC1=NC2=CC=CC=C2C(=O)O1 M299522 [0,0,0,0,0,0|3,0,0]=3 16 B12R2.24 C1=CC=C2C(=C1)C=CC(=O)O2 C104161 [1,0,0,0,0,0|2,0,1]=4 17 B12R2.24 C1=CC=C2C(=C1)C=CC(=O)O2 C104165 [1,0,0,0,0,0|2,0,1]=4 18 B12R2.24 C1=CC=C2C(=C1)C=CC(=O)O2 C104166 [1,0,0,0,0,0|2,0,1]=4 19 B12R2.24 C1=CC=C2C(=C1)C=CC(=O)O2 C357823 [1,0,0,0,0,0|2,0,1]=4 20 B12R2.24 C1=CC=C2C(=C1)C=CC(=O)O2 C426918 [1,0,0,0,0,0|2,0,1]=4 21 B12R2.24 C1=CC=C2C=C(C=CC2=C1)O N108421 [1,0,0,0,0,0|3,0,0]=4 22 B12R2.24 C1=CC=C2C=C(C=CC2=C1)O N108422 [1,0,0,0,0,0|3,0,0]=4 23 B12R2.24 C1=CC=C2C=C(C=CC2=C1)O N108423 [1,0,0,0,0,0|3,0,0]=4 24 B12R2.24 C1=CC=C2C=C(C=CC2=C1)O N421336 [1,0,0,0,0,0|3,0,0]=4 25 B12R2.1081 C1=CC=C2C(=C1)C(=O)C=CN2 Q160821 [1,0,0,0,0,0|3,0,0]=4 26 B12R2.1081 C1=CC=C2C(=C1)C(=O)C=CO2 C170570 [1,0,0,0,0,0|2,0,0]=3 27 B12R2.1081 C1=CC=C2C(=C1)C(=O)NC=N2 H157172 [1,0,0,0,0,0|3,0,0]=4 28 B12R2.1081 C1=CC=C2C(=C1)C(=O)NN=N2 D155481 [1,0,0,0,0,0|3,0,0]=4 29 B12R2.1081 C1=CC=C2C(=C1)C(=O)O[Bi]O2 B107666 [1,0,0,0,0,0|0,0,1]=2 30 B12R2.1081 C1=CC=C2C(=C1)C=CNC2=O I119399 [1,0,0,0,0,0|3,0,0]=4 31 B12R2.1081 C1=CC=C2C(=C1)C=NNC2=O P138088 [1,0,0,0,0,0|3,0,0]=4 32 B12R2.1081 C1CC2=CC=CC=C2C(=O)C1 T106838 [1,0,0,0,0,0|3,0,0]=4 33 B12R2.1081 C1CNC(=O)C2=CC=CC=C21 T172481 [1,0,0,0,0,0|3,0,0]=4 34 B12R2.1081 C1CNC2=CC=CC=C2C1=O D303708 [1,0,0,0,0,0|3,0,0]=4 35 B12R2.1081 C1CNC2=CC=CC=C2C1=O D589973 [1,0,0,0,0,0|3,0,0]=4 36 B12R2.1081 C1COC(=O)C2=CC=CC=C21 I157658 [1,0,0,0,0,0|2,0,0]=3 37 B12R2.1081 C1COC2=CC=CC=C2C1=O C115094 [1,0,0,0,0,0|2,0,0]=3 38 B12R2.1081 C1CSC2=CC=CC=C2C1=O T169842 [1,0,0,0,0,0|2,1,0]=4 39 B14R2.7724 C1=CC=C2C(=C1)C(=C(OC2=O)Cl)Cl D336170 [0,1,0,0,0,0|3,0,0]=4 40 B14R2.7724 CN1C2=CC=CC=C2C(=O)OC1=O N158918 [0,1,0,0,0,0|2,0,1]=4 41 B14R2.8045 C1=CC2=C(C(=C1)Cl)NC(=O)OC2=O C135242 [0,1,0,0,0,0|2,0,1]=4 42 B14R2.8045 C1=CC2=C(C(=C1)F)NC(=O)OC2=O F587669 [0,1,0,0,0,0|2,0,1]=4 43 B14R2.8235 C1=CC2=C(C=C1Br)C(=O)OC(=O)N2 B119090 [0,1,0,0,0,0|2,0,1]=4 44 B14R2.8235 C1=CC2=C(C=C1Cl)C(=O)OC(=O)N2 C119093 [0,1,0,0,0,0|2,0,1]=4 45 B14R2.8235 C1=CC2=C(C=C1F)C(=O)OC(=O)N2 H303432 [0,1,0,0,0,0|2,0,1]=4 46 B14R2.8235 CC1=CC2=C(C=C1)NC(=O)OC2=O M184654 [0,1,0,0,0,0|2,0,1]=4 47 B14R2.8235 CC1CC(=O)C2=C(O1)C=CC(=C2)F F156698 [0,1,0,0,0,0|3,0,0]=4 48 B14R2.29365 C1=CC2=C(C=C1Br)NC(=O)OC2=O B186491 [0,1,0,0,0,0|2,0,1]=4 49 B14R2.29365 C1=CC2=C(C=C1Cl)NC(=O)OC2=O C119094 [0,1,0,0,0,0|2,0,1]=4 50 B12R1.75 C1=CC=C(C(=C1)C=O)OC(F)F D124150 [0,0,1,0,0,0|3,0,0]=4 51 B12R1.107 CC(C)OC(=O)C1=CC=CC=C1 I102984 [0,0,1,0,0,0|3,0,0]=4 52 B12R1.283 C1=CC=C(C(=C1)CC#N)C(=O)O C479333 [0,0,1,0,0,0|3,0,0]=4 53 B12R1.283 CCOC1=CC=CC=C1C(=O)C E156514 [0,0,1,0,0,0|3,0,0]=4 54 B12R1.283 CCOC1=CC=CC=C1C(=O)Cl E107612 [0,0,1,0,0,0|3,0,0]=4 55 B12R1.283 CCOC1=CC=CC=C1C(=O)N E156355 [0,0,1,0,0,0|3,0,0]=4 56 B12R1.283 CCOC1=CC=CC=C1C(=O)O E109278 [0,0,1,0,0,0|2,0,0]=3 57 B12R1.308 CCCC(=O)C1=CC=CC=C1O H192549 [0,0,1,0,0,0|3,0,0]=4 58 B12R1.308 CCOC(=O)C1=CC=CC=C1Br E156198 [0,0,1,0,0,0|3,0,0]=4 59 B12R1.308 CCOC(=O)C1=CC=CC=C1C E156531 [0,0,1,0,0,0|3,0,0]=4 60 B12R1.308 CCOC(=O)C1=CC=CC=C1Cl E139229 [0,0,1,0,0,0|3,0,0]=4 61 B12R1.308 CCOC(=O)C1=CC=CC=C1F E156449 [0,0,1,0,0,0|3,0,0]=4 62 B12R1.308 CCOC(=O)C1=CC=CC=C1I E189053 [0,0,1,0,0,0|3,0,0]=4 63 B12R1.308 CCOC(=O)C1=CC=CC=C1N E156199 [0,0,1,0,0,0|3,0,0]=4 64 B12R1.308 CCOC(=O)C1=CC=CC=C1O E103924 [0,0,1,0,0,0|2,0,0]=3 65 B12R2.18 C1=CC=C2C(=C1)C(=O)C(=O)N2 I104664 [0,0,0,0,1,0|2,0,1]=4 66 B12R2.18 C1=CC=C2C(=C1)C(=O)C(=O)N2 I104665 [0,0,0,0,1,0|2,0,1]=4 67 B12R2.18 C1=CC=C2C(=C1)C(=O)C(=O)N2 I426911 [0,0,0,0,1,0|2,0,1]=4 68 B12R2.18 C1C2=CC=CC=C2C(=O)C1=O I119930 [0,0,0,0,1,0|2,0,1]=4 69 B12R2.18 CC1CC2=CC=CC=C2C1=O M587676 [0,0,0,0,1,0|3,0,0]=4 70 B12R2.2028 C1=CC2=C(C(=O)OC2=O)N=C1 P119980 [0,0,0,0,1,0|2,0,1]=4 71 B12R2.2028 C1=CC=C2C(=C1)C(=O)NC2=O P104066 [0,0,0,0,1,0|2,0,1]=4 72 B12R2.2028 C1=CC=C2C(=C1)C(=O)NC2=O P104067 [0,0,0,0,1,0|2,0,1]=4 73 B12R2.2028 C1=CC=C2C(=C1)C(=O)OC2=O P116466 [0,0,0,0,1,0|1,0,1]=3 74 B12R2.2028 C1=CC=C2C(=C1)C(=O)OC2=O P116468 [0,0,0,0,1,0|1,0,1]=3 75 B12R2.2028 C1=CC=C2C(=C1)C(=O)OI2Cl C589602 [0,0,0,0,1,0|2,0,0]=3 76 B12R2.2028 C1=CC=C2C(=C1)C(=O)OI2O H586982 [0,0,0,0,1,0|1,0,0]=2 77 B12R2.2028 C1=CC=C2C(=C1)C(=O)[N-]C2=O P106220 [0,0,0,0,1,0|2,0,1]=4 78 B12R2.2028 C1=CC=C2C(=C1)C(=O)[N-]C2=O P141449 [0,0,0,0,1,0|2,0,1]=4 79 B12R2.2028 C1=CC=C2C(=C1)C(OC2=O)Br B152853 [0,0,0,0,1,0|2,0,0]=3 80 B12R2.2028 C1=CC=C2C(=C1)C(OC2=O)O H404581 [0,0,0,0,1,0|1,0,0]=2 81 B12R2.2028 C1=CN=CC2=C1C(=O)OC2=O W135915 [0,0,0,0,1,0|2,0,1]=4 82 B12R2.2028 C1C(=O)C2=CC=CC=C2C1=O I106831 [0,0,0,0,1,0|2,0,1]=4 83 B12R2.2028 C1C(C2=CC=CC=C2C1=O)Br B184388 [0,0,0,0,1,0|3,0,0]=4 84 B12R2.2028 CC1CC(=O)C2=CC=CC=C12 M123327 [0,0,0,0,1,0|3,0,0]=4 85 B11R1.28 C1=CC=C(C=C1)CCOC=O F302132 [1,0,1,0,0,0|2,0,0]=4 86 B11R1.41 CCOC1=CC=CC=C1C=O E123026 [1,0,1,0,0,0|2,0,0]=4 87 B11R1.16 C1=CC=C(C=C1)C(=O)C=NO W136367 [1,0,1,0,0,0|2,0,0]=4 88 B11R1.16 C1=CC=C(C=C1)C(=O)OCCl C331582 [1,0,1,0,0,0|2,0,0]=4 89 B11R1.16 C=COC(=O)C1=CC=CC=C1 V162943 [1,0,1,0,0,0|2,0,0]=4 90 B11R1.16 CCOC(=O)C1=CC=CC=C1 E103424 [1,0,1,0,0,0|2,0,0]=4 91 B11R1.16 CCOC(=O)C1=CC=CC=C1 E103425 [1,0,1,0,0,0|2,0,0]=4 92 B11R1.16 CCOC(=O)C1=CC=CC=C1 E103426 [1,0,1,0,0,0|2,0,0]=4 93 B11R1.16 CNOC(=O)C1=CC=CC=C1 O159914 [1,0,1,0,0,0|2,0,0]=4 94 B11R1.53 C1=CC=C(C(=C1)C#N)C(=O)O C170055 [1,0,1,0,0,0|2,0,0]=4 95 B11R1.53 C1=CC=C(C(=C1)C(=O)O)I=O I157627 [1,0,1,0,0,0|1,0,1]=4 96 B11R1.53 C1=CC=C(C(=C1)C(=O)O)NN H102563 [1,0,1,0,0,0|2,0,0]=4 97 B11R1.53 C1=CC=C(C(=C1)C=O)C(=O)O P160758 [1,0,1,0,0,0|1,0,1]=4 98 B11R1.53 C1=CC=C(C(=C1)CCl)C(=O)O C195365 [1,0,1,0,0,0|2,0,0]=4 99 B11R1.53 C1=CC=C(C(=C1)CN)C(=O)O A165340 [1,0,1,0,0,0|2,0,0]=4 100 B11R1.53 C1=CC=C(C(=C1)CO)C(=O)O H304137 [1,0,1,0,0,0|1,0,0]=3 101 B11R1.53 CC(=O)C1=CC=CC=C1OC M139029 [1,0,1,0,0,0|2,0,0]=4 102 B11R1.53 CCC1=CC=CC=C1C(=O)O E134508 [1,0,1,0,0,0|2,0,0]=4 103 B11R1.53 CNC1=CC=CC=C1C(=O)O N159471 [1,0,1,0,0,0|2,0,0]=4 104 B11R1.53 COC1=C(C=CC=N1)C(=O)O M157828 [1,0,1,0,0,0|2,0,0]=4 105 B11R1.53 COC1=C(C=NC=C1)C(=O)O M586149 [1,0,1,0,0,0|2,0,0]=4 106 B11R1.53 COC1=C(N=CC=C1)C(=O)O M181926 [1,0,1,0,0,0|2,0,0]=4 107 B11R1.53 COC1=CC=CC=C1C(=O)Cl M158758 [1,0,1,0,0,0|2,0,0]=4 108 B11R1.53 COC1=CC=CC=C1C(=O)N M132578 [1,0,1,0,0,0|2,0,0]=4 109 B11R1.53 COC1=CC=CC=C1C(=O)O M104362 [1,0,1,0,0,0|1,0,0]=3 110 B11R1.53 CSC1=CC=CC=C1C(=O)O M101853 [1,0,1,0,0,0|1,1,0]=4 111 B11R1.222 C1=CC=C(C(=C1)C(=O)CBr)O B169012 [1,0,1,0,0,0|2,0,0]=4 112 B11R1.222 C1=CC=C(C(=C1)C(=O)NN)O S161140 [1,0,1,0,0,0|2,0,0]=4 113 B11R1.222 C1=CC=C(C(=C1)C(=O)NO)O S106787 [1,0,1,0,0,0|1,0,0]=3 114 B11R1.222 CC1=CC=CC=C1C(=O)OC M113453 [1,0,1,0,0,0|2,0,0]=4 115 B11R1.222 CCC(=O)C1=CC=CC=C1O H156886 [1,0,1,0,0,0|2,0,0]=4 116 B11R1.222 CNC(=O)C1=CC=CC=C1O H343180 [1,0,1,0,0,0|2,0,0]=4 117 B11R1.222 COC(=O)C1=C(C=CC=N1)O M185645 [1,0,1,0,0,0|2,0,0]=4 118 B11R1.222 COC(=O)C1=C(C=NC=C1)O M165403 [1,0,1,0,0,0|2,0,0]=4 119 B11R1.222 COC(=O)C1=CC=CC=C1Br M113789 [1,0,1,0,0,0|2,0,0]=4 120 B11R1.222 COC(=O)C1=CC=CC=C1Cl M158001 [1,0,1,0,0,0|2,0,0]=4 121 B11R1.222 COC(=O)C1=CC=CC=C1F M133418 [1,0,1,0,0,0|2,0,0]=4 122 B11R1.222 COC(=O)C1=CC=CC=C1I I101970 [1,0,1,0,0,0|2,0,0]=4 123 B11R1.222 COC(=O)C1=CC=CC=C1N M110159 [1,0,1,0,0,0|2,0,0]=4 124 B11R1.222 COC(=O)C1=CC=CC=C1O M110426 [1,0,1,0,0,0|1,0,0]=3 125 B11R1.222 COC(=O)C1=CC=CC=C1O M110428 [1,0,1,0,0,0|1,0,0]=3 126 B11R1.222 COC(=O)C1=CC=CC=C1O M110429 [1,0,1,0,0,0|1,0,0]=3 127 B11R1.222 COC(=O)C1=CC=CC=C1O M420855 [1,0,1,0,0,0|1,0,0]=3 128 B11R1.222 COC(=O)C1=CC=CC=C1S M101797 [1,0,1,0,0,0|1,1,0]=4 129 B13R1.382 CCOC1=CC=CC=C1C(=O)OC M158714 [0,1,1,0,0,0|2,0,0]=4 130 B13R1.572 CCCOC1=CC=CC=C1C(=O)O P132960 [0,1,1,0,0,0|2,0,0]=4 131 B13R1.446 CCOC(=O)C1=C(C=CC(=C1)C)O E169721 [0,1,1,0,0,0|2,0,0]=4 132 B13R1.446 CCOC(=O)C1=C(C=CC(=C1)O)O E344282 [0,1,1,0,0,0|2,0,0]=4 133 B13R1.464 CCOC(=O)C1=CC=CC=C1OC E304511 [0,1,1,0,0,0|2,0,0]=4 134 B13R1.674 C1=CC=C(C(=C1)C(=O)OCCO)O E102775 [0,1,1,0,0,0|1,0,0]=3 135 B13R1.674 CCCOC(=O)C1=CC=CC=C1O P160601 [0,1,1,0,0,0|2,0,0]=4 136 B13R1.4453 CCOC(=O)C1=C(C=CC=C1O)C E139149 [0,1,1,0,0,0|2,0,0]=4 137 B13R2.342 C1COC2=C(C1=O)C=CC=C2Br B191951 [1,1,0,0,0,0|2,0,0]=4 138 B13R2.4818 C1COC2=C(C1=O)C(=CC=C2)Br B586565 [1,1,0,0,0,0|2,0,0]=4 139 B13R2.45 C1C2=CC=CC=C2C(=O)C1=NO I167438 [0,1,0,0,1,0|2,0,0]=4 140 B13R2.3085 C1=CC=C2C(=C1)C(=O)N(C2=O)O H106354 [0,1,0,0,1,0|2,0,0]=4 141 B13R2.2931 C1=CC=C2C(=C1)C(=O)OI2C#N O587651 [0,1,0,0,1,0|2,0,0]=4 142 B13R2.2931 C1=CC=C2C(=C1)C(OC2=O)C#N C472376 [0,1,0,0,1,0|2,0,0]=4 143 B13R2.4857 C1=CC2=C(C(=C1)Br)C(=O)OC2=O B186791 [0,1,0,0,1,0|1,0,1]=4 144 B13R2.4857 C1=CC2=C(C(=C1)Cl)C(=O)OC2=O C299785 [0,1,0,0,1,0|1,0,1]=4 145 B13R2.4857 C1=CC2=C(C(=C1)F)C(=O)OC2=O F123562 [0,1,0,0,1,0|1,0,1]=4 146 B13R2.4857 C1=CC2=C(C(=C1)I)C(=O)OC2=O I588564 [0,1,0,0,1,0|1,0,1]=4 147 B13R2.4857 C1=CC2=C(C(=C1)O)C(=O)OC2=O H176307 [0,1,0,0,1,0|1,0,1]=4 148 B13R2.4857 CC1=C2C(=CC=C1)C(=O)OC2=O M158785 [0,1,0,0,1,0|1,0,1]=4 149 B13R2.5187 C1=CC2=C(C=C1Br)C(=O)OC2=O B151972 [0,1,0,0,1,0|1,0,1]=4 150 B13R2.5187 C1=CC2=C(C=C1Cl)C(=O)OC2=O C153925 [0,1,0,0,1,0|1,0,1]=4 151 B13R2.5187 C1=CC2=C(C=C1F)C(=O)OC2=O F122885 [0,1,0,0,1,0|1,0,1]=4 152 B13R2.5187 CC1=CC2=C(C=C1)C(=O)OC2=O M132537 [0,1,0,0,1,0|1,0,1]=4 153 B13R2.12159 C1=CC=C2C(=C1)C(=O)OS2(=O)=O S161292 [0,1,0,0,1,0|1,0,1]=4 154 B15R2.14951 C1=CC=C2C(=C1)C(=O)C=C(O2)C(=O)O B106850 [0,2,0,0,0,0|2,0,0]=4 155 B15R2.14951 C1=CC=C2C(=C1)C(=O)C=C(O2)C(=O)O C424265 [0,2,0,0,0,0|2,0,0]=4 156 B13R2.5569 C1COC2=C1C=CC=C2C(=O)O D134943 [0,0,1,1,0,0|2,0,0]=4 157 B13R2.5569 C1OC2=CC=CC(=C2O1)C(=O)O B479202 [0,0,1,1,0,0|1,0,0]=3 158 B11R1.36 C1=CC=C(C=C1)C(=O)C(=O)O P100867 [0,0,1,0,1,0|1,0,1]=4 159 B11R1.36 C1=CC=C(C=C1)C(=O)C(=O)O P425066 [0,0,1,0,1,0|1,0,1]=4 160 B11R1.36 C1=CC=C(C=C1)C(=O)C(O)O P160755 [0,0,1,0,1,0|1,0,0]=3 161 B11R2.1 B1(C2=CC=CC=C2CO1)O H340686 [1,0,0,0,1,0|1,0,1]=4 162 B11R2.10 B1(OC2=CC=CC=C2O1)Br B153037 [1,0,0,0,1,0|2,0,0]=4 163 B11R2.10 C1=CC=C2C(=C1)C=C(O2)Br B589404 [1,0,0,0,1,0|2,0,0]=4 164 B11R2.10 CC1=CC2=CC=CC=C2O1 M135139 [1,0,0,0,1,0|2,0,0]=4