0 B12R1.43 C1=CC(=CN=C1)CC(C(=O)O)N H191553 [0,0,0,0,0,0|2,0,1]=3 1 B12R1.43 C1=CC(=CN=C1)CC(C(=O)O)N P117036 [0,0,0,0,0,0|2,0,1]=3 2 B12R1.43 C1=CC(=CN=C1)CC(C(=O)O)N P117038 [0,0,0,0,0,0|2,0,1]=3 3 B12R1.43 C1=CC(=CN=C1)CC(C(=O)O)N P137854 [0,0,0,0,0,0|2,0,1]=3 4 B12R1.43 C1=CC=C(C=C1)CC(=O)C(=O)O P107007 [0,0,0,0,0,0|0,0,0]=0 5 B12R1.43 C1=CC=C(C=C1)CC(=O)C(=O)O P421862 [0,0,0,0,0,0|0,0,0]=0 6 B12R1.43 C1=CC=C(C=C1)CC(C(=O)N)N H586335 [0,0,0,0,0,0|2,0,1]=3 7 B12R1.43 C1=CC=C(C=C1)CC(C(=O)N)N P105974 [0,0,0,0,0,0|2,0,1]=3 8 B12R1.43 C1=CC=C(C=C1)CC(C(=O)N)N S136991 [0,0,0,0,0,0|2,0,1]=3 9 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)Br B587562 [0,0,0,0,0,0|1,0,1]=2 10 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)N D425386 [0,0,0,0,0,0|1,0,1]=2 11 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)N L354493 [0,0,0,0,0,0|1,0,1]=2 12 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)N P103489 [0,0,0,0,0,0|1,0,1]=2 13 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)N P109094 [0,0,0,0,0,0|1,0,1]=2 14 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)N P110424 [0,0,0,0,0,0|1,0,1]=2 15 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)N P110425 [0,0,0,0,0,0|1,0,1]=2 16 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)O D425723 [0,0,0,0,0,0|0,0,2]=2 17 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)O P102441 [0,0,0,0,0,0|0,0,2]=2 18 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)O P102443 [0,0,0,0,0,0|0,0,2]=2 19 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)O P113801 [0,0,0,0,0,0|0,0,2]=2 20 B12R1.43 C1=CC=C(C=C1)NC(=O)C(=O)O A354609 [0,0,0,0,0,0|1,0,0]=1 21 B12R1.43 C1=CC=NC(=C1)CC(C(=O)O)N A167909 [0,0,0,0,0,0|2,0,1]=3 22 B12R1.43 C1=CC=NC(=C1)CC(C(=O)O)N P117035 [0,0,0,0,0,0|2,0,1]=3 23 B12R1.43 C1=CN=CC=C1CC(C(=O)O)N A107875 [0,0,0,0,0,0|2,0,1]=3 24 B12R1.43 C1=CN=CC=C1CC(C(=O)O)N A165279 [0,0,0,0,0,0|2,0,1]=3 25 B12R1.43 C1=CN=CC=C1CC(C(=O)O)N P160400 [0,0,0,0,0,0|2,0,1]=3 26 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O B152644 [0,0,0,0,0,0|1,0,0]=1 27 B12R1.43 CC(=C)C(=O)NC1=CC=CC=C1 N159436 [0,0,0,0,0,0|3,0,0]=3 28 B12R1.43 CC(=C)C(=O)NC1=CC=CC=C1 N491276 [0,0,0,0,0,0|3,0,0]=3 29 B12R1.43 CC(=C)C(=O)OC1=CC=CC=C1 P122856 [0,0,0,0,0,0|3,0,0]=3 30 B12R1.43 CC(=CC1=CC=CC=C1)C(=O)O M102145 [0,0,0,0,0,0|1,0,1]=2 31 B12R1.43 CC(=CC1=CC=CC=C1)[N+](=O)[O-] I136758 [0,0,0,0,0,0|2,0,2]=4 32 B12R1.43 CC(C(=O)Cl)OC1=CC=CC=C1 P160289 [0,0,0,0,0,0|3,0,1]=4 33 B12R1.43 CC(C(=O)O)OC1=CC=CC=C1 P114961 [0,0,0,0,0,0|2,0,1]=3 34 B12R1.43 CC(C)C(=O)CC1=CC=CC=C1 M158345 [0,0,0,0,0,0|2,0,1]=3 35 B12R1.43 CC(CC1=CC=CC=C1)C(=O)O M165389 [0,0,0,0,0,0|1,0,1]=2 36 B12R1.43 CC(CC1=CC=CC=N1)C(=O)O M586148 [0,0,0,0,0,0|2,0,1]=3 37 B12R1.43 CN(C)C(=O)CC1=CC=CC=C1 N168191 [0,0,0,0,0,0|3,0,0]=3 38 B12R1.43 CN(C)C(=O)NC1=CC=CC=C1 F298761 [0,0,0,0,0,0|4,0,0]=4 39 B11R1.40 C1=CC=C(C=C1)C=C(C=O)Br B102162 [1,0,0,0,0,0|1,0,1]=3 40 B11R1.40 C1=CC=C(C=C1)C=C(C=O)Cl C102191 [1,0,0,0,0,0|1,0,1]=3 41 B11R1.40 C1=CC=C(C=C1)CC(=O)NN P160484 [1,0,0,0,0,0|2,0,0]=3 42 B11R1.40 C1=CC=C(C=C1)CC(CO)N P100530 [1,0,0,0,0,0|1,0,2]=4 43 B11R1.40 C1=CC=C(C=C1)CC(CO)N P109244 [1,0,0,0,0,0|1,0,2]=4 44 B11R1.40 C1=CC=C(C=C1)CC(CO)N S160981 [1,0,0,0,0,0|1,0,2]=4 45 B11R1.40 C1=CC=C(C=C1)NC(=O)CCl C469406 [1,0,0,0,0,0|2,0,1]=4 46 B11R1.40 C1=CC=C(C=C1)NC(=O)NN P160543 [1,0,0,0,0,0|3,0,0]=4 47 B11R1.40 C1=CC=C(C=C1)OC(=O)CBr P102337 [1,0,0,0,0,0|2,0,1]=4 48 B11R1.40 C1=CC=[N+](C=C1)CC(=O)NN G156811 [1,0,0,0,0,0|3,0,0]=4 49 B11R1.40 C=CC(=O)NC1=CC=CC=C1 N159041 [1,0,0,0,0,0|2,0,0]=3 50 B11R1.40 C=CC(=O)OC1=CC=CC=C1 P122863 [1,0,0,0,0,0|2,0,0]=3 51 B11R1.40 CC(=CC1=CC=CC=C1)C=O M102181 [1,0,0,0,0,0|1,0,1]=3 52 B11R1.40 CC(=CC1=CC=CC=C1)C=O M302967 [1,0,0,0,0,0|1,0,1]=3 53 B11R1.40 CC(=CC1=CC=CC=C1)CO M158501 [1,0,0,0,0,0|1,0,2]=4 54 B11R1.40 CCC(=O)CC1=CC=CC=C1 P160130 [1,0,0,0,0,0|1,0,1]=3 55 B11R1.40 CCC(=O)NC1=CC=CC=C1 N136678 [1,0,0,0,0,0|2,0,1]=4 56 B11R1.40 CCC(=O)OC1=CC=CC=C1 P304243 [1,0,0,0,0,0|2,0,1]=4 57 B11R1.40 CNC(=O)OC1=CC=CC=C1 P587924 [1,0,0,0,0,0|3,0,0]=4 58 B11R1.40 COC(=O)CC1=CC=CC=C1 M106997 [1,0,0,0,0,0|2,0,0]=3 59 B11R1.40 COC(=O)CC1=CC=CC=N1 M131920 [1,0,0,0,0,0|3,0,0]=4 60 B11R1.40 COC(=O)CC1=CC=NC=C1 M349198 [1,0,0,0,0,0|3,0,0]=4 61 B11R1.40 COC(=O)NC1=CC=CC=C1 N189095 [1,0,0,0,0,0|3,0,0]=4 62 B11R1.40 COC(=O)OC1=CC=CC=C1 M302459 [1,0,0,0,0,0|3,0,0]=4 63 B11R1.91 B(CCC1=CC=CC=C1)(O)O P119631 [1,0,0,0,0,0|1,0,2]=4 64 B11R1.91 C1=CC(=CN=C1)C=CC(=O)O P160635 [1,0,0,0,0,0|1,0,1]=3 65 B11R1.91 C1=CC(=CN=C1)C=CC(=O)O T138424 [1,0,0,0,0,0|1,0,1]=3 66 B11R1.91 C1=CC(=CN=C1)CCC(=O)O P136290 [1,0,0,0,0,0|1,0,1]=3 67 B11R1.91 C1=CC=C(C=C1)C#CC(=O)N P589991 [1,0,0,0,0,0|1,0,2]=4 68 B11R1.91 C1=CC=C(C=C1)C#CC(=O)O P133964 [1,0,0,0,0,0|0,0,2]=3 69 B11R1.91 C1=CC=C(C=C1)C=CC(=O)Cl C106841 [1,0,0,0,0,0|1,0,1]=3 70 B11R1.91 C1=CC=C(C=C1)C=CC(=O)Cl T347639 [1,0,0,0,0,0|1,0,1]=3 71 B11R1.91 C1=CC=C(C=C1)C=CC(=O)N C101731 [1,0,0,0,0,0|1,0,1]=3 72 B11R1.91 C1=CC=C(C=C1)C=CC(=O)O C108494 [1,0,0,0,0,0|0,0,1]=2 73 B11R1.91 C1=CC=C(C=C1)C=CC(=O)O C108495 [1,0,0,0,0,0|0,0,1]=2 74 B11R1.91 C1=CC=C(C=C1)C=CC(=O)O C108496 [1,0,0,0,0,0|0,0,1]=2 75 B11R1.91 C1=CC=C(C=C1)C=CC(=O)O C108497 [1,0,0,0,0,0|0,0,1]=2 76 B11R1.91 C1=CC=C(C=C1)C=CC(=O)O P478163 [1,0,0,0,0,0|0,0,1]=2 77 B11R1.91 C1=CC=C(C=C1)C=CC(=O)O T421496 [1,0,0,0,0,0|0,0,1]=2 78 B11R1.91 C1=CC=C(C=C1)C=CC(=O)[O-] C167677 [1,0,0,0,0,0|0,0,2]=3 79 B11R1.91 C1=CC=C(C=C1)C=CC(=O)[O-] C170870 [1,0,0,0,0,0|0,0,2]=3 80 B11R1.91 C1=CC=C(C=C1)C=C[N+](=O)[O-] N122699 [1,0,0,0,0,0|1,0,2]=4 81 B11R1.91 C1=CC=C(C=C1)CCC(=O)Cl P101406 [1,0,0,0,0,0|1,0,1]=3 82 B11R1.91 C1=CC=C(C=C1)CCC(=O)N P160460 [1,0,0,0,0,0|1,0,1]=3 83 B11R1.91 C1=CC=C(C=C1)CCC(=O)O P109276 [1,0,0,0,0,0|0,0,1]=2 84 B11R1.91 C1=CC=C(C=C1)CCC(=O)O P109277 [1,0,0,0,0,0|0,0,1]=2 85 B11R1.91 C1=CC=C(C=C1)CCC(=O)O P424323 [1,0,0,0,0,0|0,0,1]=2 86 B11R1.91 C1=CC=C(C=C1)CN=C(N)N B588431 [1,0,0,0,0,0|3,0,0]=4 87 B11R1.91 C1=CC=C(C=C1)CNC(=O)N B136656 [1,0,0,0,0,0|2,0,0]=3 88 B11R1.91 C1=CC=C(C=C1)CNC(=S)N B152324 [1,0,0,0,0,0|2,1,0]=4 89 B11R1.91 C1=CC=C(C=C1)COC(=O)Cl B105737 [1,0,0,0,0,0|2,0,0]=3 90 B11R1.91 C1=CC=C(C=C1)COC(=O)N B152709 [1,0,0,0,0,0|2,0,0]=3 91 B11R1.91 C1=CC=C(C=C1)CSC(=N)N B105227 [1,0,0,0,0,0|3,0,0]=4 92 B11R1.91 C1=CC=C(C=C1)NCC(=O)N A357212 [1,0,0,0,0,0|2,0,1]=4 93 B11R1.91 C1=CC=C(C=C1)NCC(=O)O P111407 [1,0,0,0,0,0|1,0,1]=3 94 B11R1.91 C1=CC=C(C=C1)NCC(=O)[O-] N133268 [1,0,0,0,0,0|1,0,2]=4 95 B11R1.91 C1=CC=C(C=C1)NNC(=O)N P160542 [1,0,0,0,0,0|3,0,0]=4 96 B11R1.91 C1=CC=C(C=C1)OCC(=O)Cl P160117 [1,0,0,0,0,0|2,0,1]=4 97 B11R1.91 C1=CC=C(C=C1)OCC(=O)N P300417 [1,0,0,0,0,0|2,0,1]=4 98 B11R1.91 C1=CC=C(C=C1)OCC(=O)O P107024 [1,0,0,0,0,0|1,0,1]=3 99 B11R1.91 C1=CC=C(C=C1)OCC(=O)O P107025 [1,0,0,0,0,0|1,0,1]=3 100 B11R1.91 C1=CC=C(C=C1)OCC(=O)[O-] S563686 [1,0,0,0,0,0|1,0,2]=4 101 B11R1.91 C1=CC=C(C=C1)SCC(=O)Cl B301376 [1,0,0,0,0,0|2,0,1]=4 102 B11R1.91 C1=CC=C(C=C1)SCC(=O)O P101811 [1,0,0,0,0,0|1,0,1]=3 103 B11R1.91 C1=CC=NC(=C1)C=CC(=O)O E189192 [1,0,0,0,0,0|1,0,1]=3 104 B11R1.91 C1=CC=NC(=C1)CCC(=O)O P167476 [1,0,0,0,0,0|1,0,1]=3 105 B11R1.91 C1=CN=CC=C1C=CC(=O)O P160631 [1,0,0,0,0,0|1,0,1]=3 106 B11R1.91 C1=CN=CC=C1C=CC(=O)O T189221 [1,0,0,0,0,0|1,0,1]=3 107 B11R1.91 C1=CN=CC=C1CCC(=O)O P171257 [1,0,0,0,0,0|1,0,1]=3 108 B11R1.91 C1=CN=CC=C1SCC(=O)O P109703 [1,0,0,0,0,0|2,0,1]=4 109 B11R1.91 CC(=O)C#CC1=CC=CC=C1 P160127 [1,0,0,0,0,0|1,0,2]=4 110 B11R1.91 CC(=O)C=CC1=CC=CC=C1 P111783 [1,0,0,0,0,0|1,0,1]=3 111 B11R1.91 CC(=O)C=CC1=CC=CC=C1 P111784 [1,0,0,0,0,0|1,0,1]=3 112 B11R1.91 CC(=O)C=CC1=CC=CC=C1 T121970 [1,0,0,0,0,0|1,0,1]=3 113 B11R1.91 CC(=O)CCC1=CC=CC=C1 P106914 [1,0,0,0,0,0|1,0,1]=3 114 B11R1.91 CC(=O)COC1=CC=CC=C1 P160134 [1,0,0,0,0,0|2,0,1]=4 115 B11R1.91 CC(=O)NCC1=CC=CC=C1 N159297 [1,0,0,0,0,0|2,0,0]=3 116 B11R1.91 CC(=O)NNC1=CC=CC=C1 A100226 [1,0,0,0,0,0|3,0,0]=4 117 B11R1.91 CC(=O)OCC1=CC=CC=C1 B109251 [1,0,0,0,0,0|2,0,0]=3 118 B11R1.91 CC(=O)OCC1=CC=CC=C1 B109253 [1,0,0,0,0,0|2,0,0]=3 119 B11R1.91 CC(CCC1=CC=CC=C1)O I168710 [1,0,0,0,0,0|1,0,2]=4 120 B11R1.91 CC(CCC1=CC=CC=C1)O I170111 [1,0,0,0,0,0|1,0,2]=4 121 B11R1.91 CC(CCC1=CC=CC=C1)O P160159 [1,0,0,0,0,0|1,0,2]=4 122 B13R1.133 C1=CC(=CC=C1CC(=O)C(=O)O)O H138306 [0,1,0,0,0,0|0,0,0]=1 123 B13R1.133 C1=CC(=CC=C1CC(C(=O)N)N)O L137615 [0,1,0,0,0,0|2,0,1]=4 124 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)Br B117017 [0,1,0,0,0,0|1,0,1]=3 125 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)Br P101626 [0,1,0,0,0,0|1,0,1]=3 126 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)Cl C100471 [0,1,0,0,0,0|1,0,1]=3 127 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)Cl C131971 [0,1,0,0,0,0|1,0,1]=3 128 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)Cl C136727 [0,1,0,0,0,0|1,0,1]=3 129 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)Cl C153283 [0,1,0,0,0,0|1,0,1]=3 130 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)Cl C153284 [0,1,0,0,0,0|1,0,1]=3 131 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)F F117075 [0,1,0,0,0,0|1,0,1]=3 132 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)F F117076 [0,1,0,0,0,0|1,0,1]=3 133 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)F F156775 [0,1,0,0,0,0|1,0,1]=3 134 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)F I137496 [0,1,0,0,0,0|1,0,1]=3 135 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)F I137619 [0,1,0,0,0,0|1,0,1]=3 136 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)I I109232 [0,1,0,0,0,0|1,0,1]=3 137 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)I I136438 [0,1,0,0,0,0|1,0,1]=3 138 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)N A105992 [0,1,0,0,0,0|1,0,1]=3 139 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)N A151041 [0,1,0,0,0,0|1,0,1]=3 140 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)N A185605 [0,1,0,0,0,0|1,0,1]=3 141 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)O G419969 [0,1,0,0,0,0|1,0,1]=3 142 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)O S433057 [0,1,0,0,0,0|1,0,1]=3 143 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)O T101403 [0,1,0,0,0,0|1,0,1]=3 144 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)O T103976 [0,1,0,0,0,0|1,0,1]=3 145 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)O T108322 [0,1,0,0,0,0|1,0,1]=3 146 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)O T115962 [0,1,0,0,0,0|1,0,1]=3 147 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)O)O S160986 [0,1,0,0,0,0|0,0,2]=3 148 B13R1.133 C1=CC(=CC=C1CC(C(=O)[O-])N)[O-] L194654 [0,1,0,0,0,0|1,0,2]=4 149 B13R1.133 C1=CC(=CC=C1CC(C(=O)[O-])N)[O-] L302659 [0,1,0,0,0,0|1,0,2]=4 150 B13R1.133 CC(=C)C(=O)OC1=CC=C(C=C1)O H588692 [0,1,0,0,0,0|3,0,0]=4 151 B13R1.133 CC(C(=O)O)OC1=CC=C(C=C1)O H102466 [0,1,0,0,0,0|2,0,1]=4 152 B13R1.133 CN(C)C(=O)CC1=CC=C(C=C1)Br B478794 [0,1,0,0,0,0|3,0,0]=4 153 B13R1.135 CN(C(=O)CC1=CC=CC=C1)OC N590831 [0,1,0,0,0,0|2,0,0]=3 154 B13R1.135 CN(CC1=CC=CC=C1)C(=O)CBr B355324 [0,1,0,0,0,0|3,0,0]=4 155 B13R1.135 COC(=O)C(CC1=CC=CC=C1)N P100531 [0,1,0,0,0,0|1,0,1]=3 156 B13R1.135 COC(=O)C(CC1=CC=CC=C1)N P109006 [0,1,0,0,0,0|1,0,1]=3 157 B13R1.135 COC(=O)C(CC1=CC=CC=C1)O M138182 [0,1,0,0,0,0|0,0,2]=3 158 B13R1.135 COC(=O)C(CC1=CC=CC=C1)O M158823 [0,1,0,0,0,0|0,0,2]=3 159 B13R1.148 C1=CC(=CC(=C1)Cl)CC(C(=O)O)N C117066 [0,1,0,0,0,0|1,0,1]=3 160 B13R1.148 C1=CC(=CC(=C1)Cl)CC(C(=O)O)N C117067 [0,1,0,0,0,0|1,0,1]=3 161 B13R1.148 C1=CC(=CC(=C1)F)CC(C(=O)O)N F132062 [0,1,0,0,0,0|1,0,1]=3 162 B13R1.148 C1=CC(=CC(=C1)F)CC(C(=O)O)N F179385 [0,1,0,0,0,0|1,0,1]=3 163 B13R1.148 C1=CC(=CC(=C1)F)CC(C(=O)O)N M138867 [0,1,0,0,0,0|1,0,1]=3 164 B13R1.148 C1=CC(=CC(=C1)O)CC(C(=O)O)N L136412 [0,1,0,0,0,0|1,0,1]=3 165 B13R1.148 C1=CC(=CC(=C1)O)CC(C(=O)O)N T117104 [0,1,0,0,0,0|1,0,1]=3 166 B13R1.148 CC(C(=O)O)OC1=CC(=CC=C1)Cl C114952 [0,1,0,0,0,0|2,0,1]=4 167 B13R1.148 CC(C(=O)O)OC1=CC(=CC=C1)Cl C118405 [0,1,0,0,0,0|2,0,1]=4 168 B13R1.148 CC1=CC(=CC=C1)CC(C(=O)O)N M101592 [0,1,0,0,0,0|1,0,1]=3 169 B13R1.148 CC1=CC(=CC=C1)CC(C(=O)O)N M132355 [0,1,0,0,0,0|1,0,1]=3 170 B13R1.152 C1=CC=C(C=C1)C(C(C(=O)O)Br)Br D154624 [0,1,0,0,0,0|1,0,1]=3 171 B13R1.152 C1=CC=C(C=C1)C(C(C(=O)O)N)O D357309 [0,1,0,0,0,0|1,0,1]=3 172 B13R1.152 C1=CC=C(C=C1)C(C(C(=O)O)N)O L346317 [0,1,0,0,0,0|1,0,1]=3 173 B13R1.152 C1=CC=C(C=C1)C(C(C(=O)O)N)O S168484 [0,1,0,0,0,0|1,0,1]=3 174 B13R1.152 C1=CC=C(C=C1)C(C(C(=O)O)O)N R302391 [0,1,0,0,0,0|0,0,2]=3 175 B13R1.202 C1=CC=C(C(=C1)CC(C(=O)O)N)Br L184482 [0,1,0,0,0,0|1,0,1]=3 176 B13R1.202 C1=CC=C(C(=C1)CC(C(=O)O)N)Cl A190846 [0,1,0,0,0,0|1,0,1]=3 177 B13R1.202 C1=CC=C(C(=C1)CC(C(=O)O)N)Cl C105993 [0,1,0,0,0,0|1,0,1]=3 178 B13R1.202 C1=CC=C(C(=C1)CC(C(=O)O)N)Cl C117065 [0,1,0,0,0,0|1,0,1]=3 179 B13R1.202 C1=CC=C(C(=C1)CC(C(=O)O)N)F F115881 [0,1,0,0,0,0|1,0,1]=3 180 B13R1.202 C1=CC=C(C(=C1)CC(C(=O)O)N)F F135605 [0,1,0,0,0,0|1,0,1]=3 181 B13R1.202 C1=CC=C(C(=C1)CC(C(=O)O)N)O S161198 [0,1,0,0,0,0|1,0,1]=3 182 B13R1.202 CC(C(=O)O)OC1=CC=CC=C1Cl C153835 [0,1,0,0,0,0|2,0,1]=4 183 B13R1.202 CC1=CC=CC=C1CC(C(=O)O)N M101605 [0,1,0,0,0,0|1,0,1]=3 184 B13R1.1073 CC(C)(CC1=CC=CC=C1)C(=O)O D193980 [0,1,0,0,0,0|1,0,1]=3 185 B13R1.1073 CC(CC1=CC=CC=C1)(C(=O)O)N M166002 [0,1,0,0,0,0|1,0,1]=3 186 B13R1.1073 CC(CC1=CC=CC=C1)(C(=O)O)N P107874 [0,1,0,0,0,0|1,0,1]=3 187 B13R1.1073 CC(CC1=CC=CC=C1)(C(=O)O)N P118306 [0,1,0,0,0,0|1,0,1]=3 188 B13R2.369 C1=CC=C2C(=C1)C=C(C(=O)N2)Br B467471 [0,0,0,1,0,0|2,0,1]=4 189 B13R2.369 C1=CC=C2C(=C1)C=C(C(=O)O2)N A151702 [0,0,0,1,0,0|1,0,1]=3 190 B13R2.369 C1=CC=C2C(=C1)C=C(C(=O)O2)O H305006 [0,0,0,1,0,0|0,0,2]=3 191 B13R2.369 C1=CC=C2C(=C1)NC(=O)C(=O)N2 D123522 [0,0,0,1,0,0|2,0,0]=3 192 B13R2.369 C1=CC=C2C=C(C(=CC2=C1)N)O A133883 [0,0,0,1,0,0|2,0,1]=4 193 B13R2.369 C1=CC=C2C=C(C(=CC2=C1)O)Br B152849 [0,0,0,1,0,0|2,0,1]=4 194 B13R2.369 C1=CC=C2C=C(C(=CC2=C1)O)Br B474670 [0,0,0,1,0,0|2,0,1]=4 195 B13R2.369 C1=CC=C2C=C(C(=CC2=C1)O)O D103157 [0,0,0,1,0,0|1,0,2]=4 196 B13R2.369 C1=CN=CC2=C1NC(=O)C(=O)N2 P588840 [0,0,0,1,0,0|3,0,0]=4 197 B13R2.373 C1=CC=C(C=C1)C2C(C(=O)N2)O R302386 [0,0,0,1,0,0|1,0,2]=4 198 B13R2.423 C1C(C1C(=O)O)C2=CC=CC=C2 T139465 [0,0,0,1,0,0|1,0,1]=3 199 B13R2.423 C1C(C1C(=O)O)C2=CC=NC=C2 T304681 [0,0,0,1,0,0|2,0,1]=4 200 B13R2.435 C1=CC2=NC(=CN2C=C1)C(=O)O I123222 [0,0,0,1,0,0|2,0,1]=4 201 B13R2.435 C1=CC=C2C(=C1)C=C(N2)C(=O)O I107987 [0,0,0,1,0,0|1,0,1]=3 202 B13R2.435 C1=CC=C2C(=C1)C=C(O2)C(=O)O B170589 [0,0,0,1,0,0|0,0,2]=3 203 B13R2.435 C1=CC=C2C(=C1)C=C(S2)C(=O)Cl B133836 [0,0,0,1,0,0|1,1,1]=4 204 B13R2.435 C1=CC=C2C(=C1)C=C(S2)C(=O)O B152934 [0,0,0,1,0,0|0,1,1]=3 205 B13R2.435 C1=CC=C2C(=C1)NC(=N2)C(=O)O H134909 [0,0,0,1,0,0|2,0,0]=3 206 B13R2.435 C1C(CC2=CC=CC=C21)C(=O)O I135596 [0,0,0,1,0,0|1,0,1]=3 207 B13R2.435 C1C(NC2=CC=CC=C21)C(=O)O I103166 [0,0,0,1,0,0|1,0,1]=3 208 B13R2.435 C1C(NC2=CC=CC=C21)C(=O)O I115487 [0,0,0,1,0,0|1,0,1]=3 209 B13R2.435 C1C(NC2=CC=CC=C21)C(=O)O I119118 [0,0,0,1,0,0|1,0,1]=3 210 B13R2.435 CC(=O)C1=CC2=CC=CC=C2N1 A346740 [0,0,0,1,0,0|2,0,1]=4 211 B13R2.435 CC(=O)C1=CC2=CC=CC=C2O1 B167750 [0,0,0,1,0,0|1,0,2]=4 212 B13R2.435 CC(=O)C1=CC2=CC=CC=C2S1 A119133 [0,0,0,1,0,0|1,1,1]=4 213 B13R2.435 CC(=O)C1=NC2=CC=CC=C2N1 H195957 [0,0,0,1,0,0|3,0,0]=4 214 B13R2.435 CC(=O)C1=NC2=CC=CC=C2S1 A478732 [0,0,0,1,0,0|2,1,0]=4 215 B13R2.435 CC(=O)C1CC2=CC=CC=C2C1 I588783 [0,0,0,1,0,0|2,0,1]=4 216 B11R1.35 C1=COC(=C1)CC(C(=O)O)N H356423 [0,0,0,0,1,0|2,0,1]=4 217 B11R1.35 C1=CSC(=C1)CC(C(=O)O)N T135712 [0,0,0,0,1,0|2,0,1]=4 218 B11R1.35 C1=CSC(=C1)CC(C(=O)O)N T464847 [0,0,0,0,1,0|2,0,1]=4 219 B11R1.35 C1=CSC=C1CC(C(=O)O)N B301218 [0,0,0,0,1,0|2,0,1]=4 220 B11R1.36 C1=CC=C(C=C1)C(=O)C(=O)O P100867 [0,0,0,0,1,0|0,0,0]=1 221 B11R1.36 C1=CC=C(C=C1)C(=O)C(=O)O P425066 [0,0,0,0,1,0|0,0,0]=1 222 B11R1.36 C1=CC=C(C=C1)C(=O)C(Cl)Cl D154366 [0,0,0,0,1,0|2,0,1]=4 223 B11R1.36 C1=CC=C(C=C1)C(=O)C(O)O P160755 [0,0,0,0,1,0|0,0,2]=3 224 B11R1.36 C1=CC=C(C=C1)C(C(=O)Cl)Cl D133626 [0,0,0,0,1,0|2,0,1]=4 225 B11R1.36 C1=CC=C(C=C1)C(C(=O)N)N D189180 [0,0,0,0,1,0|2,0,1]=4 226 B11R1.36 C1=CC=C(C=C1)C(C(=O)N)N S185796 [0,0,0,0,1,0|2,0,1]=4 227 B11R1.36 C1=CC=C(C=C1)C(C(=O)N)O M342074 [0,0,0,0,1,0|1,0,2]=4 228 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)Br B107957 [0,0,0,0,1,0|1,0,1]=3 229 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)Cl C170509 [0,0,0,0,1,0|1,0,1]=3 230 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)F A131766 [0,0,0,0,1,0|1,0,1]=3 231 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)N P101745 [0,0,0,0,1,0|1,0,1]=3 232 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)N P109235 [0,0,0,0,1,0|1,0,1]=3 233 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)N P109236 [0,0,0,0,1,0|1,0,1]=3 234 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)O D304135 [0,0,0,0,1,0|0,0,2]=3 235 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)O M104996 [0,0,0,0,1,0|0,0,2]=3 236 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)O M104997 [0,0,0,0,1,0|0,0,2]=3 237 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)O M107076 [0,0,0,0,1,0|0,0,2]=3 238 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)O M111210 [0,0,0,0,1,0|0,0,2]=3 239 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)O R425065 [0,0,0,0,1,0|0,0,2]=3 240 B11R1.36 C1=CC=C(C=C1)C(C(=O)[O-])O S161413 [0,0,0,0,1,0|0,0,3]=4 241 B11R1.36 C=C(C1=CC=CC=C1)C(=O)O P121707 [0,0,0,0,1,0|1,0,0]=2 242 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 P194033 [0,0,0,0,1,0|1,0,0]=2 243 B11R1.36 CC(=O)N(C)C1=CC=CC=C1 N159396 [0,0,0,0,1,0|3,0,0]=4 244 B11R1.36 CC(=O)N(C1=CC=CC=C1)Cl N159271 [0,0,0,0,1,0|3,0,0]=4 245 B11R1.36 CC(C(=O)C1=CC=CC=C1)Cl C154066 [0,0,0,0,1,0|2,0,1]=4 246 B11R1.36 CC(C)C(=O)C1=CC=CC=C1 I134082 [0,0,0,0,1,0|2,0,1]=4 247 B11R1.36 CC(C1=CC=CC=C1)C(=O)O B102422 [0,0,0,0,1,0|1,0,1]=3 248 B11R1.36 CC(C1=CC=CC=C1)C(=O)O P102421 [0,0,0,0,1,0|1,0,1]=3 249 B11R1.36 CC(C1=CC=CC=C1)C(=O)O P128106 [0,0,0,0,1,0|1,0,1]=3 250 B11R1.36 CC(C1=CC=CC=C1)C(=O)O P424260 [0,0,0,0,1,0|1,0,1]=3 251 B11R1.36 CN(C)C(=O)C1=CC=CC=C1 I134083 [0,0,0,0,1,0|3,0,0]=4 252 B11R1.36 CN(C1=CC=CC=C1)C(=O)Cl N342076 [0,0,0,0,1,0|3,0,0]=4 253 B13R1.348 C1=CC=C(C=C1)CC(CC(=O)O)N A115887 [0,0,0,0,0,1|1,0,1]=3 254 B13R1.348 C1=CC=C(C=C1)CC(CC(=O)O)N H181536 [0,0,0,0,0,1|1,0,1]=3 255 B13R1.348 C1=CC=C(C=C1)CC(CC(=O)O)N S167451 [0,0,0,0,0,1|1,0,1]=3 256 B13R1.348 CC(=CC(=O)C)NC1=CC=CC=C1 P469011 [0,0,0,0,0,1|3,0,0]=4 257 B13R1.348 CC(C)CC(=O)CC1=CC=CC=C1 M193800 [0,0,0,0,0,1|2,0,1]=4 258 B13R1.348 CC(C)OC(=O)CC1=CC=CC=C1 I300292 [0,0,0,0,0,1|2,0,1]=4 259 B13R1.351 C1=CC=C(C=C1)CCC(=O)C(=O)O O159999 [0,0,0,0,0,1|0,0,0]=1 260 B13R1.351 C1=CC=C(C=C1)CCC(C(=O)O)N H106213 [0,0,0,0,0,1|1,0,1]=3 261 B13R1.351 C1=CC=C(C=C1)CCC(C(=O)O)N H117162 [0,0,0,0,0,1|1,0,1]=3 262 B13R1.351 C1=CC=C(C=C1)CCC(C(=O)O)N H117213 [0,0,0,0,0,1|1,0,1]=3 263 B13R1.351 C1=CC=C(C=C1)CCC(C(=O)O)O R160938 [0,0,0,0,0,1|0,0,2]=3 264 B13R1.351 C1=CC=C(C=C1)CCC(C(=O)O)O S161363 [0,0,0,0,0,1|0,0,2]=3 265 B13R1.351 C1=CC=C(C=C1)SCC(C(=O)O)N S300786 [0,0,0,0,0,1|1,0,1]=3 266 B13R1.351 CC(=C)C(=O)OCC1=CC=CC=C1 B102356 [0,0,0,0,0,1|2,0,0]=3 267 B13R1.351 CC(C(=O)OCC1=CC=CC=C1)N A109014 [0,0,0,0,0,1|2,0,1]=4 268 B13R1.351 CC(C(=O)OCC1=CC=CC=C1)N A117193 [0,0,0,0,0,1|2,0,1]=4 269 B13R1.351 CC(C(=O)OCC1=CC=CC=C1)N D351821 [0,0,0,0,0,1|2,0,1]=4 270 B13R1.351 CC(C(=O)OCC1=CC=CC=C1)N L133915 [0,0,0,0,0,1|2,0,1]=4 271 B13R1.351 CC(C(=O)OCC1=CC=CC=C1)O B151945 [0,0,0,0,0,1|1,0,1]=3 272 B13R1.351 CC(C)C(=O)OCC1=CC=CC=C1 B151839 [0,0,0,0,0,1|2,0,1]=4 273 B10R1.17 C1=CC(=CN=C1)C=CC=O T347360 [2,0,0,0,0,0|1,0,1]=4 274 B10R1.17 C1=CC=C(C=C1)C#CC=O P138572 [2,0,0,0,0,0|0,0,2]=4 275 B10R1.17 C1=CC=C(C=C1)C=CC=O C108630 [2,0,0,0,0,0|0,0,1]=3 276 B10R1.17 C1=CC=C(C=C1)C=CC=O C108631 [2,0,0,0,0,0|0,0,1]=3 277 B10R1.17 C1=CC=C(C=C1)C=CC=O C110083 [2,0,0,0,0,0|0,0,1]=3 278 B10R1.17 C1=CC=C(C=C1)C=CC=O C110084 [2,0,0,0,0,0|0,0,1]=3 279 B10R1.17 C1=CC=C(C=C1)C=CC=O T421609 [2,0,0,0,0,0|0,0,1]=3 280 B10R1.17 C1=CC=C(C=C1)C=CCO C110605 [2,0,0,0,0,0|0,0,2]=4 281 B10R1.17 C1=CC=C(C=C1)C=CCO C110606 [2,0,0,0,0,0|0,0,2]=4 282 B10R1.17 C1=CC=C(C=C1)C=CCO E303728 [2,0,0,0,0,0|0,0,2]=4 283 B10R1.17 C1=CC=C(C=C1)CCC=O P109695 [2,0,0,0,0,0|0,0,1]=3 284 B10R1.17 C1=CC=C(C=C1)CCCO P103663 [2,0,0,0,0,0|0,0,2]=4 285 B10R1.17 C1=CC=C(C=C1)CN=C=O B133636 [2,0,0,0,0,0|1,0,1]=4 286 B10R1.17 C1=CC=C(C=C1)CNC=O N159287 [2,0,0,0,0,0|1,0,0]=3 287 B10R1.17 C1=CC=C(C=C1)COC=O B152855 [2,0,0,0,0,0|1,0,0]=3 288 B10R1.17 C=CC=CC1=CC=CC=C1 P305147 [2,0,0,0,0,0|1,0,1]=4 289 B10R1.17 C=CCCC1=CC=CC=C1 P160313 [2,0,0,0,0,0|1,0,1]=4 290 B10R1.17 C=COCC1=CC=CC=C1 B178307 [2,0,0,0,0,0|2,0,0]=4 291 B10R1.18 C1=CC(=CN=C1)CC(=O)N P193047 [2,0,0,0,0,0|2,0,0]=4 292 B10R1.18 C1=CC(=CN=C1)CC(=O)O P107547 [2,0,0,0,0,0|1,0,0]=3 293 B10R1.18 C1=CC=C(C=C1)CC(=N)N P192301 [2,0,0,0,0,0|2,0,0]=4 294 B10R1.18 C1=CC=C(C=C1)CC(=O)Cl P109202 [2,0,0,0,0,0|1,0,0]=3 295 B10R1.18 C1=CC=C(C=C1)CC(=O)N P160461 [2,0,0,0,0,0|1,0,0]=3 296 B10R1.18 C1=CC=C(C=C1)CC(=O)N P420433 [2,0,0,0,0,0|1,0,0]=3 297 B10R1.18 C1=CC=C(C=C1)CC(=O)O P346939 [2,0,0,0,0,0|0,0,0]=2 298 B10R1.18 C1=CC=C(C=C1)CC(=S)N P160307 [2,0,0,0,0,0|1,1,0]=4 299 B10R1.18 C1=CC=C(C=C1)C[N+](=O)[O-] N171226 [2,0,0,0,0,0|1,0,1]=4 300 B10R1.18 C1=CC=C(C=C1)NC(=O)N P105589 [2,0,0,0,0,0|2,0,0]=4 301 B10R1.18 C1=CC=C(C=C1)OC(=O)Cl P106536 [2,0,0,0,0,0|2,0,0]=4 302 B10R1.18 C1=CC=C(C=C1)OC(=O)N P300418 [2,0,0,0,0,0|2,0,0]=4 303 B10R1.18 C1=CC=NC(=C1)CC(=O)O P106866 [2,0,0,0,0,0|1,0,0]=3 304 B10R1.18 C1=CC=[N+](C=C1)CC(=O)N C153758 [2,0,0,0,0,0|2,0,0]=4 305 B10R1.18 C1=CN=CC=C1CC(=O)O P101990 [2,0,0,0,0,0|1,0,0]=3 306 B10R1.18 CC(=O)CC1=CC=NC=C1 P134516 [2,0,0,0,0,0|1,0,1]=4 307 B10R1.18 CC(=O)CC1=CN=CC=C1 A355123 [2,0,0,0,0,0|1,0,1]=4 308 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 A151480 [2,0,0,0,0,0|1,0,1]=4 309 B10R1.18 CC(=O)NC1=CC=CC=C1 A103954 [2,0,0,0,0,0|1,0,1]=4 310 B10R1.18 CC(=O)NC1=CC=CC=C1 A103955 [2,0,0,0,0,0|1,0,1]=4 311 B10R1.18 CC(=O)NC1=CC=CC=C1 A103956 [2,0,0,0,0,0|1,0,1]=4 312 B10R1.18 CC(=O)NC1=CC=CC=C1 A103957 [2,0,0,0,0,0|1,0,1]=4 313 B10R1.18 CC(=O)NC1=CC=CC=C1 A119548 [2,0,0,0,0,0|1,0,1]=4 314 B10R1.18 CC(=O)OC1=CC=CC=C1 P108579 [2,0,0,0,0,0|1,0,1]=4 315 B10R1.18 CC(=O)OC1=CC=CC=C1 P342578 [2,0,0,0,0,0|1,0,1]=4 316 B10R1.18 CC(=O)SC1=CC=CC=C1 P101831 [2,0,0,0,0,0|1,0,1]=4 317 B10R1.18 CC(CC1=CC=CC=C1)O P160708 [2,0,0,0,0,0|1,0,1]=4 318 B10R1.18 CS(=O)CC1=CC=CC=C1 M334699 [2,0,0,0,0,0|1,0,1]=4 319 B12R1.32 CCOC(=O)CC1=CC=CC=C1 E103494 [1,1,0,0,0,0|1,0,1]=4 320 B12R1.32 CCOC(=O)CC1=CC=CC=C1 E103495 [1,1,0,0,0,0|1,0,1]=4 321 B12R1.34 CC(C1=CC=CC=C1)C(=O)OC M588693 [1,1,0,0,0,0|2,0,0]=4 322 B12R1.34 COC(=O)C(C1=CC=CC=C1)Br M158188 [1,1,0,0,0,0|2,0,0]=4 323 B12R1.34 COC(=O)C(C1=CC=CC=C1)N H191065 [1,1,0,0,0,0|2,0,0]=4 324 B12R1.34 COC(=O)C(C1=CC=CC=C1)N I132644 [1,1,0,0,0,0|2,0,0]=4 325 B12R1.34 COC(=O)C(C1=CC=CC=C1)N P106203 [1,1,0,0,0,0|2,0,0]=4 326 B12R1.34 COC(=O)C(C1=CC=CC=C1)N P106204 [1,1,0,0,0,0|2,0,0]=4 327 B12R1.34 COC(=O)C(C1=CC=CC=C1)O M107081 [1,1,0,0,0,0|2,0,0]=4 328 B12R1.34 COC(=O)C(C1=CC=CC=C1)O M107988 [1,1,0,0,0,0|2,0,0]=4 329 B12R1.34 COC(=O)C(C1=CC=CC=C1)O M107989 [1,1,0,0,0,0|2,0,0]=4 330 B12R1.49 CC1=CC=C(C=C1)CC(=O)OC M158718 [1,1,0,0,0,0|2,0,0]=4 331 B12R1.49 CNC(=O)CC1=CC=C(C=C1)O N491195 [1,1,0,0,0,0|2,0,0]=4 332 B12R1.49 COC(=O)CC1=CC=C(C=C1)Br M176451 [1,1,0,0,0,0|2,0,0]=4 333 B12R1.49 COC(=O)CC1=CC=C(C=C1)Cl M158186 [1,1,0,0,0,0|2,0,0]=4 334 B12R1.49 COC(=O)CC1=CC=C(C=C1)I M589746 [1,1,0,0,0,0|2,0,0]=4 335 B12R1.49 COC(=O)CC1=CC=C(C=C1)O M117442 [1,1,0,0,0,0|2,0,0]=4 336 B12R1.50 CC1=CC(=CC=C1)CC(=O)OC M573276 [1,1,0,0,0,0|2,0,0]=4 337 B12R1.50 COC(=O)CC1=CC(=CC=C1)Br M158157 [1,1,0,0,0,0|2,0,0]=4 338 B12R1.50 COC(=O)CC1=CC(=CC=C1)F M158820 [1,1,0,0,0,0|2,0,0]=4 339 B12R1.50 COC(=O)CC1=CC(=CC=C1)N M184999 [1,1,0,0,0,0|2,0,0]=4 340 B12R1.50 COC(=O)CC1=CC(=CC=C1)O H184458 [1,1,0,0,0,0|2,0,0]=4 341 B12R1.371 CC1=CC=CC=C1CC(=O)OC M338418 [1,1,0,0,0,0|2,0,0]=4 342 B12R1.371 COC(=O)CC1=CC=CC=C1Br M185316 [1,1,0,0,0,0|2,0,0]=4 343 B12R1.371 COC(=O)CC1=CC=CC=C1Cl M158137 [1,1,0,0,0,0|2,0,0]=4 344 B12R1.371 COC(=O)CC1=CC=CC=C1O H182957 [1,1,0,0,0,0|2,0,0]=4 345 B12R1.21 C1=CC(=CC=C1C#CC(=O)O)Br B405223 [1,1,0,0,0,0|0,0,2]=4 346 B12R1.21 C1=CC(=CC=C1C#CC(=O)O)Cl C404131 [1,1,0,0,0,0|0,0,2]=4 347 B12R1.21 C1=CC(=CC=C1C=CC(=O)Cl)F F102168 [1,1,0,0,0,0|1,0,1]=4 348 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)Br B104888 [1,1,0,0,0,0|0,0,1]=3 349 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)Cl C100659 [1,1,0,0,0,0|0,0,1]=3 350 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)F F101928 [1,1,0,0,0,0|0,0,1]=3 351 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)N A151768 [1,1,0,0,0,0|0,0,1]=3 352 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)O C108514 [1,1,0,0,0,0|0,0,1]=3 353 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)O C108515 [1,1,0,0,0,0|0,0,1]=3 354 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)O C304525 [1,1,0,0,0,0|0,0,1]=3 355 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)O C304526 [1,1,0,0,0,0|0,0,1]=3 356 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)O C304527 [1,1,0,0,0,0|0,0,1]=3 357 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)O P424326 [1,1,0,0,0,0|0,0,1]=3 358 B12R1.21 C1=CC(=CC=C1CCC(=O)O)Br B123074 [1,1,0,0,0,0|0,0,1]=3 359 B12R1.21 C1=CC(=CC=C1CCC(=O)O)Cl C138442 [1,1,0,0,0,0|0,0,1]=3 360 B12R1.21 C1=CC(=CC=C1CCC(=O)O)F F156733 [1,1,0,0,0,0|0,0,1]=3 361 B12R1.21 C1=CC(=CC=C1CCC(=O)O)N A151460 [1,1,0,0,0,0|0,0,1]=3 362 B12R1.21 C1=CC(=CC=C1CCC(=O)O)O P106355 [1,1,0,0,0,0|0,0,1]=3 363 B12R1.21 C1=CC(=CC=C1CCC(=O)O)O P424325 [1,1,0,0,0,0|0,0,1]=3 364 B12R1.21 C1=CC(=CC=C1N)OCC(=O)O A588272 [1,1,0,0,0,0|1,0,1]=4 365 B12R1.21 C1=CC(=CC=C1N)SCC(=O)O A165606 [1,1,0,0,0,0|1,0,1]=4 366 B12R1.21 C1=CC(=CC=C1NCC(=O)O)F F169812 [1,1,0,0,0,0|1,0,1]=4 367 B12R1.21 C1=CC(=CC=C1OCC(=O)O)Br B152378 [1,1,0,0,0,0|1,0,1]=4 368 B12R1.21 C1=CC(=CC=C1OCC(=O)O)Cl C102889 [1,1,0,0,0,0|1,0,1]=4 369 B12R1.21 C1=CC(=CC=C1OCC(=O)O)Cl C102890 [1,1,0,0,0,0|1,0,1]=4 370 B12R1.21 C1=CC(=CC=C1OCC(=O)O)F F170192 [1,1,0,0,0,0|1,0,1]=4 371 B12R1.21 C1=CC(=CC=C1OCC(=O)O)I I120189 [1,1,0,0,0,0|1,0,1]=4 372 B12R1.21 CC(=O)C=CC1=CC=C(C=C1)O H169513 [1,1,0,0,0,0|1,0,1]=4 373 B12R1.21 CC(=O)CCC1=CC=C(C=C1)O H156889 [1,1,0,0,0,0|1,0,1]=4 374 B12R1.21 CC1=CC=C(C=C1)C=CC(=O)O M100698 [1,1,0,0,0,0|0,0,1]=3 375 B12R1.21 CC1=CC=C(C=C1)CCC(=O)O P138270 [1,1,0,0,0,0|0,0,1]=3 376 B12R1.21 CC1=CC=C(C=C1)COC(=O)C M117867 [1,1,0,0,0,0|2,0,0]=4 377 B12R1.21 CC1=CC=C(C=C1)OCC(=O)O M158250 [1,1,0,0,0,0|1,0,1]=4 378 B12R1.27 C1=CC=C(C=C1)CNC(=O)CCl C169076 [1,1,0,0,0,0|2,0,0]=4 379 B12R1.27 C1=CC=C(C=C1)COC(=O)CBr B104541 [1,1,0,0,0,0|2,0,0]=4 380 B12R1.27 C1=CC=C(C=C1)COC(=O)CCl B152737 [1,1,0,0,0,0|2,0,0]=4 381 B12R1.27 C1=CC=C(C=C1)COC(=O)CN G100449 [1,1,0,0,0,0|2,0,0]=4 382 B12R1.27 C1=CC=C(C=C1)COC(=O)CN G105480 [1,1,0,0,0,0|2,0,0]=4 383 B12R1.27 C1=CC=C(C=C1)COC(=O)CO B135438 [1,1,0,0,0,0|1,0,0]=3 384 B12R1.27 C1=CC=C(C=C1)COC(=O)NN B106008 [1,1,0,0,0,0|2,0,0]=4 385 B12R1.27 C1=CC=C(C=C1)COC(=O)NO N159551 [1,1,0,0,0,0|1,0,0]=3 386 B12R1.27 C=CC(=O)OCC1=CC=CC=C1 B122888 [1,1,0,0,0,0|2,0,0]=4 387 B12R1.27 C=CC(=O)OCC1=CC=CC=C1 B151902 [1,1,0,0,0,0|2,0,0]=4 388 B12R1.27 CCC(=O)OCC1=CC=CC=C1 B151869 [1,1,0,0,0,0|2,0,0]=4 389 B12R1.27 COC(=O)C#CC1=CC=CC=C1 M158709 [1,1,0,0,0,0|0,0,2]=4 390 B12R1.27 COC(=O)C=CC1=CC=CC=C1 M106187 [1,1,0,0,0,0|0,0,1]=3 391 B12R1.27 COC(=O)C=CC1=CC=CC=C1 M167947 [1,1,0,0,0,0|0,0,1]=3 392 B12R1.27 COC(=O)C=CC1=CC=CC=C1 M420410 [1,1,0,0,0,0|0,0,1]=3 393 B12R1.27 COC(=O)CCC1=CC=CC=C1 M103601 [1,1,0,0,0,0|0,0,1]=3 394 B12R1.27 COC(=O)CCC1=CC=CC=C1 M140616 [1,1,0,0,0,0|0,0,1]=3 395 B12R1.27 COC(=O)COC1=CC=CC=C1 M138460 [1,1,0,0,0,0|1,0,1]=4 396 B12R1.27 COC(=O)CSC1=CC=CC=C1 M101824 [1,1,0,0,0,0|1,0,1]=4 397 B12R1.107 C1=CC(=CN=C1)C(CC(=O)O)N A151148 [1,1,0,0,0,0|1,0,1]=4 398 B12R1.107 C1=CC=C(C=C1)C(CC(=O)O)N P113810 [1,1,0,0,0,0|0,0,1]=3 399 B12R1.107 C1=CC=C(C=C1)C(CC(=O)O)N R160918 [1,1,0,0,0,0|0,0,1]=3 400 B12R1.107 C1=CC=C(C=C1)C(CC(=O)O)N S193296 [1,1,0,0,0,0|0,0,1]=3 401 B12R1.107 C1=CC=C(C=C1)C(CC(=O)O)O H157337 [1,1,0,0,0,0|0,0,1]=3 402 B12R1.107 CC(C1=CC=CC=C1)NC(=O)C D303544 [1,1,0,0,0,0|2,0,0]=4 403 B12R1.107 CC(C1=CC=CC=C1)OC(=O)C P195955 [1,1,0,0,0,0|2,0,0]=4 404 B12R1.107 CC(CC(=O)O)C1=CC=CC=C1 P133853 [1,1,0,0,0,0|0,0,1]=3 405 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 M192082 [1,1,0,0,0,0|1,0,1]=4 406 B12R1.125 C1=CC=C(C(=C1)C=CC(=O)Cl)Cl C300799 [1,1,0,0,0,0|1,0,1]=4 407 B12R1.125 C1=CC=C(C(=C1)C=CC(=O)O)Br B101936 [1,1,0,0,0,0|0,0,1]=3 408 B12R1.125 C1=CC=C(C(=C1)C=CC(=O)O)Cl C103595 [1,1,0,0,0,0|0,0,1]=3 409 B12R1.125 C1=CC=C(C(=C1)C=CC(=O)O)F F101930 [1,1,0,0,0,0|0,0,1]=3 410 B12R1.125 C1=CC=C(C(=C1)C=CC(=O)O)O H113425 [1,1,0,0,0,0|0,0,1]=3 411 B12R1.125 C1=CC=C(C(=C1)CCC(=O)O)Br B123075 [1,1,0,0,0,0|0,0,1]=3 412 B12R1.125 C1=CC=C(C(=C1)CCC(=O)O)Cl C138339 [1,1,0,0,0,0|0,0,1]=3 413 B12R1.125 C1=CC=C(C(=C1)CCC(=O)O)F W133245 [1,1,0,0,0,0|0,0,1]=3 414 B12R1.125 C1=CC=C(C(=C1)CCC(=O)O)I I469914 [1,1,0,0,0,0|0,0,1]=3 415 B12R1.125 C1=CC=C(C(=C1)CCC(=O)O)O H121639 [1,1,0,0,0,0|0,0,1]=3 416 B12R1.125 C1=CC=C(C(=C1)OCC(=O)O)Cl C115720 [1,1,0,0,0,0|1,0,1]=4 417 B12R1.125 CC1=CC=CC=C1C=CC(=O)O M158080 [1,1,0,0,0,0|0,0,1]=3 418 B12R1.125 CC1=CC=CC=C1CCC(=O)O M168695 [1,1,0,0,0,0|0,0,1]=3 419 B12R1.125 CC1=CC=CC=C1OCC(=O)O M168158 [1,1,0,0,0,0|1,0,1]=4 420 B12R1.226 C1=CC(=CC(=C1)Br)C=CC(=O)O B101938 [1,1,0,0,0,0|0,0,1]=3 421 B12R1.226 C1=CC(=CC(=C1)Br)C=CC(=O)O T162205 [1,1,0,0,0,0|0,0,1]=3 422 B12R1.226 C1=CC(=CC(=C1)Br)CCC(=O)O W135520 [1,1,0,0,0,0|0,0,1]=3 423 B12R1.226 C1=CC(=CC(=C1)Br)OCC(=O)O B587723 [1,1,0,0,0,0|1,0,1]=4 424 B12R1.226 C1=CC(=CC(=C1)Cl)C=CC(=O)O C101735 [1,1,0,0,0,0|0,0,1]=3 425 B12R1.226 C1=CC(=CC(=C1)Cl)C=CC(=O)O C485689 [1,1,0,0,0,0|0,0,1]=3 426 B12R1.226 C1=CC(=CC(=C1)Cl)CCC(=O)O C132834 [1,1,0,0,0,0|0,0,1]=3 427 B12R1.226 C1=CC(=CC(=C1)Cl)OCC(=O)O C185405 [1,1,0,0,0,0|1,0,1]=4 428 B12R1.226 C1=CC(=CC(=C1)F)C=CC(=O)O F156726 [1,1,0,0,0,0|0,0,1]=3 429 B12R1.226 C1=CC(=CC(=C1)F)C=CC(=O)O I168436 [1,1,0,0,0,0|0,0,1]=3 430 B12R1.226 C1=CC(=CC(=C1)F)CCC(=O)O F138869 [1,1,0,0,0,0|0,0,1]=3 431 B12R1.226 C1=CC(=CC(=C1)N)C=CC(=O)O E405645 [1,1,0,0,0,0|0,0,1]=3 432 B12R1.226 C1=CC(=CC(=C1)N)CCC(=O)O A191401 [1,1,0,0,0,0|0,0,1]=3 433 B12R1.226 C1=CC(=CC(=C1)O)C=CC(=O)O H100569 [1,1,0,0,0,0|0,0,1]=3 434 B12R1.226 C1=CC(=CC(=C1)O)CCC(=O)O H194243 [1,1,0,0,0,0|0,0,1]=3 435 B12R1.226 C1=CC(=CC(=C1)O)CCC(=O)O H425147 [1,1,0,0,0,0|0,0,1]=3 436 B12R1.226 CC1=CC(=CC=C1)C=CC(=O)O M158083 [1,1,0,0,0,0|0,0,1]=3 437 B12R1.226 CC1=CC(=CC=C1)CCC(=O)O M470031 [1,1,0,0,0,0|0,0,1]=3 438 B12R1.226 CC1=CC(=CC=C1)OCC(=O)O M132501 [1,1,0,0,0,0|1,0,1]=4 439 B12R1.891 C1=CC=C(C=C1)C=CS(=O)(=O)O P191136 [1,1,0,0,0,0|1,0,1]=4 440 B12R1.891 C1=CC=C(C=C1)C=CS(=O)(=O)O P466427 [1,1,0,0,0,0|1,0,1]=4 441 B12R1.891 C1=CC=C(C=C1)C=CS(=O)(=O)O P475427 [1,1,0,0,0,0|1,0,1]=4 442 B12R1.891 C1=CC=C(C=C1)C=CS(=O)(=O)O P475428 [1,1,0,0,0,0|1,0,1]=4 443 B12R1.891 C1=CC=C(C=C1)C=CS(=O)(=O)O P476790 [1,1,0,0,0,0|1,0,1]=4 444 B12R1.891 C1=CC=C(C=C1)CCP(=O)(O)O P133714 [1,1,0,0,0,0|1,0,1]=4 445 B12R1.20 C1=CC(=CC=C1C(=O)C(=O)O)Cl C349356 [0,1,0,0,1,0|0,0,0]=2 446 B12R1.20 C1=CC(=CC=C1C(C(=O)O)Br)Cl B138689 [0,1,0,0,1,0|1,0,1]=4 447 B12R1.20 C1=CC(=CC=C1C(C(=O)O)Br)F B469036 [0,1,0,0,1,0|1,0,1]=4 448 B12R1.20 C1=CC(=CC=C1C(C(=O)O)N)Br A186179 [0,1,0,0,1,0|1,0,1]=4 449 B12R1.20 C1=CC(=CC=C1C(C(=O)O)N)Cl H194523 [0,1,0,0,1,0|1,0,1]=4 450 B12R1.20 C1=CC(=CC=C1C(C(=O)O)N)Cl S161342 [0,1,0,0,1,0|1,0,1]=4 451 B12R1.20 C1=CC(=CC=C1C(C(=O)O)N)F F156773 [0,1,0,0,1,0|1,0,1]=4 452 B12R1.20 C1=CC(=CC=C1C(C(=O)O)N)F F336450 [0,1,0,0,1,0|1,0,1]=4 453 B12R1.20 C1=CC(=CC=C1C(C(=O)O)N)O A305005 [0,1,0,0,1,0|1,0,1]=4 454 B12R1.20 C1=CC(=CC=C1C(C(=O)O)N)O H111804 [0,1,0,0,1,0|1,0,1]=4 455 B12R1.20 C1=CC(=CC=C1C(C(=O)O)N)O H157171 [0,1,0,0,1,0|1,0,1]=4 456 B12R1.20 C1=CC(=CC=C1C(C(=O)O)O)Br B152295 [0,1,0,0,1,0|0,0,2]=4 457 B12R1.20 C1=CC(=CC=C1C(C(=O)O)O)Cl C153313 [0,1,0,0,1,0|0,0,2]=4 458 B12R1.20 C1=CC(=CC=C1C(C(=O)O)O)Cl C153759 [0,1,0,0,1,0|0,0,2]=4 459 B12R1.20 C1=CC(=CC=C1C(C(=O)O)O)Cl S194966 [0,1,0,0,1,0|0,0,2]=4 460 B12R1.20 C1=CC(=CC=C1C(C(=O)O)O)F F156734 [0,1,0,0,1,0|0,0,2]=4 461 B12R1.20 C1=CC(=CC=C1C(C(=O)O)O)F R472395 [0,1,0,0,1,0|0,0,2]=4 462 B12R1.20 C1=CC(=CC=C1C(C(=O)O)O)O H133163 [0,1,0,0,1,0|0,0,2]=4 463 B12R1.20 CC(C1=CC=C(C=C1)O)C(=O)O H156996 [0,1,0,0,1,0|1,0,1]=4 464 B12R1.20 CC1=CC=C(C=C1)C(C(=O)O)N A181169 [0,1,0,0,1,0|1,0,1]=4 465 B12R1.20 CC1=CC=C(C=C1)C(C)C(=O)O P195954 [0,1,0,0,1,0|1,0,1]=4 466 B12R1.124 C1=CC=C(C(=C1)C(C(=O)O)Br)Cl B302833 [0,1,0,0,1,0|1,0,1]=4 467 B12R1.124 C1=CC=C(C(=C1)C(C(=O)O)N)Cl C153628 [0,1,0,0,1,0|1,0,1]=4 468 B12R1.124 C1=CC=C(C(=C1)C(C(=O)O)N)Cl D190853 [0,1,0,0,1,0|1,0,1]=4 469 B12R1.124 C1=CC=C(C(=C1)C(C(=O)O)N)Cl S161343 [0,1,0,0,1,0|1,0,1]=4 470 B12R1.124 C1=CC=C(C(=C1)C(C(=O)O)N)F F186849 [0,1,0,0,1,0|1,0,1]=4 471 B12R1.124 C1=CC=C(C(=C1)C(C(=O)O)O)Cl C106552 [0,1,0,0,1,0|0,0,2]=4 472 B12R1.124 C1=CC=C(C(=C1)C(C(=O)O)O)Cl C107592 [0,1,0,0,1,0|0,0,2]=4 473 B12R1.124 C1=CC=C(C(=C1)C(C(=O)O)O)Cl C153454 [0,1,0,0,1,0|0,0,2]=4 474 B12R1.124 C1=CC=C(C(=C1)C(C(=O)O)O)F F156731 [0,1,0,0,1,0|0,0,2]=4 475 B12R1.225 C1=CC(=CC(=C1)Br)C(C(=O)O)N B186658 [0,1,0,0,1,0|1,0,1]=4 476 B12R1.225 C1=CC(=CC(=C1)Cl)C(C(=O)O)N D194784 [0,1,0,0,1,0|1,0,1]=4 477 B12R1.225 C1=CC(=CC(=C1)Cl)C(C(=O)O)O C153310 [0,1,0,0,1,0|0,0,2]=4 478 B12R1.225 C1=CC(=CC(=C1)Cl)C(C(=O)O)O R469441 [0,1,0,0,1,0|0,0,2]=4 479 B12R1.225 CC(C1=CC(=CC=C1)Cl)C(=O)O C190861 [0,1,0,0,1,0|1,0,1]=4 480 B12R1.253 CC(C)(C1=CC=CC=C1)C(=O)O P101965 [0,1,0,0,1,0|1,0,1]=4 481 B12R1.478 C1=CC=C(C=C1)C(CO)C(=O)O T101156 [0,1,0,0,1,0|0,0,2]=4 482 B12R1.478 CCC(C1=CC=CC=C1)C(=O)O P101732 [0,1,0,0,1,0|1,0,1]=4 483 B12R1.478 CCC(C1=CC=CC=C1)C(=O)O R474424 [0,1,0,0,1,0|1,0,1]=4 484 B12R1.478 COC(C1=CC=CC=C1)C(=O)O D119908 [0,1,0,0,1,0|0,0,2]=4 485 B12R1.478 COC(C1=CC=CC=C1)C(=O)O R160890 [0,1,0,0,1,0|0,0,2]=4 486 B12R1.478 COC(C1=CC=CC=C1)C(=O)O S161229 [0,1,0,0,1,0|0,0,2]=4 487 B12R1.564 CC(C)(C(=O)C1=CC=CC=C1)O H110280 [0,1,0,0,1,0|1,0,1]=4 488 B14R1.337 CC(=O)CC(=O)NC1=CC=CC=C1Cl C154062 [0,1,0,0,0,1|2,0,0]=4 489 B14R1.337 CC(=O)CC(=O)NC1=CC=CC=C1F N159390 [0,1,0,0,0,1|2,0,0]=4 490 B14R1.337 CC1=CC=CC=C1NC(=O)CC(=O)C M114037 [0,1,0,0,0,1|2,0,0]=4 491 B14R1.698 C1=CC(=CC=C1NC(=O)CC(=O)O)Br B590837 [0,1,0,0,0,1|1,0,0]=3 492 B14R1.698 CC(=O)CC(=O)NC1=CC=C(C=C1)Cl C115335 [0,1,0,0,0,1|2,0,0]=4 493 B14R1.698 CC1=CC=C(C=C1)NC(=O)CC(=O)C M158543 [0,1,0,0,0,1|2,0,0]=4 494 B14R1.5978 CC(=O)CC(=O)NC1=CC(=CC=C1)Cl N159005 [0,1,0,0,0,1|2,0,0]=4 495 B14R1.5978 CC1=CC(=CC=C1)NC(=O)CC(=O)C O353333 [0,1,0,0,0,1|2,0,0]=4 496 B14R1.756 C1=CC=C(C=C1)COC(=O)C(CO)N H587368 [0,1,0,0,0,1|1,0,1]=4 497 B14R1.756 C1=CC=C(C=C1)COC(=O)C(CO)N S136204 [0,1,0,0,0,1|1,0,1]=4 498 B14R1.756 CC(C(=O)OC)NCC1=CC=CC=C1 B357003 [0,1,0,0,0,1|1,0,1]=4 499 B14R1.756 CC=C(C)C(=O)OCC1=CC=CC=C1 B137209 [0,1,0,0,0,1|2,0,0]=4 500 B14R1.3 C1=CC(=CC=C1CC(C(=O)O)N)C#N C353025 [0,2,0,0,0,0|1,0,1]=4 501 B14R1.3 C1=CC(=CC=C1CC(C(=O)O)N)C#N D192411 [0,2,0,0,0,0|1,0,1]=4 502 B14R1.3 COC1=CC=C(C=C1)CC(C(=O)O)N M117085 [0,2,0,0,0,0|1,0,1]=4 503 B14R1.3 COC1=CC=C(C=C1)CC(C(=O)O)N O159967 [0,2,0,0,0,0|1,0,1]=4 504 B14R1.134 COC(=O)C(CC1=CC=C(C=C1)Br)N M188952 [0,2,0,0,0,0|1,0,1]=4 505 B14R1.134 COC(=O)C(CC1=CC=C(C=C1)Cl)N C117071 [0,2,0,0,0,0|1,0,1]=4 506 B14R1.134 COC(=O)C(CC1=CC=C(C=C1)Cl)N C117072 [0,2,0,0,0,0|1,0,1]=4 507 B14R1.134 COC(=O)C(CC1=CC=C(C=C1)O)N H588917 [0,2,0,0,0,0|1,0,1]=4 508 B14R1.134 COC(=O)C(CC1=CC=C(C=C1)O)N T100470 [0,2,0,0,0,0|1,0,1]=4 509 B14R1.134 COC(=O)C(CC1=CC=C(C=C1)O)N T105476 [0,2,0,0,0,0|1,0,1]=4 510 B14R1.536 C1=CC(=CC=C1C=C(C#N)C(=O)O)O A151195 [0,2,0,0,0,0|1,0,1]=4 511 B14R1.686 C1=CC(=C(C=C1CC(C(=O)O)N)Cl)Cl D184989 [0,2,0,0,0,0|1,0,1]=4 512 B14R1.686 C1=CC(=C(C=C1CC(C(=O)O)N)Cl)Cl L184990 [0,2,0,0,0,0|1,0,1]=4 513 B14R1.686 C1=CC(=C(C=C1CC(C(=O)O)N)Cl)O C189195 [0,2,0,0,0,0|1,0,1]=4 514 B14R1.686 C1=CC(=C(C=C1CC(C(=O)O)N)F)F S588672 [0,2,0,0,0,0|1,0,1]=4 515 B14R1.686 C1=CC(=C(C=C1CC(C(=O)O)N)F)O F113768 [0,2,0,0,0,0|1,0,1]=4 516 B14R1.686 C1=CC(=C(C=C1CC(C(=O)O)N)F)O F156612 [0,2,0,0,0,0|1,0,1]=4 517 B14R1.686 C1=CC(=C(C=C1CC(C(=O)O)N)O)O D111048 [0,2,0,0,0,0|1,0,1]=4 518 B14R1.686 C1=CC(=C(C=C1CC(C(=O)O)N)O)O D111049 [0,2,0,0,0,0|1,0,1]=4 519 B14R1.686 C1=CC(=C(C=C1CC(C(=O)O)N)O)O D113507 [0,2,0,0,0,0|1,0,1]=4 520 B14R1.686 C1=CC(=C(C=C1CC(C(=O)O)N)O)O D154657 [0,2,0,0,0,0|1,0,1]=4 521 B14R1.686 C1=CC(=C(C=C1CC(C(=O)O)O)O)O D342155 [0,2,0,0,0,0|0,0,2]=4 522 B14R1.686 C1=CC(=C(C=C1CC(C(=O)O)O)O)O D425886 [0,2,0,0,0,0|0,0,2]=4 523 B14R1.6049 C1=CC(=C(C=C1Cl)Cl)CC(C(=O)O)N D132444 [0,2,0,0,0,0|1,0,1]=4 524 B14R1.7626 CC(CC1=CC=C(C=C1)O)(C(=O)O)N B301360 [0,2,0,0,0,0|1,0,1]=4 525 B14R1.7626 CC(CC1=CC=C(C=C1)O)(C(=O)O)N M107878 [0,2,0,0,0,0|1,0,1]=4 526 B14R1.7626 CC(CC1=CC=C(C=C1)O)(C(=O)O)N M137321 [0,2,0,0,0,0|1,0,1]=4 527 B14R1.60 CCOC(=O)C(CC1=CC=CC=C1)N P109013 [0,2,0,0,0,0|1,0,1]=4 528 B14R1.60 CCOC(=O)C(CC1=CC=CC=C1)N R589727 [0,2,0,0,0,0|1,0,1]=4 529 B14R1.85 COC(=O)C(C(C1=CC=CC=C1)O)O B301130 [0,2,0,0,0,0|0,0,2]=4 530 B14R1.85 COC(=O)C(C(C1=CC=CC=C1)O)O M343547 [0,2,0,0,0,0|0,0,2]=4 531 B14R1.1031 COC(=O)C(=CC1=CC=CC=C1)C#N M169958 [0,2,0,0,0,0|1,0,1]=4 532 B14R1.75 C1=CC(=CC(=C1)C#N)CC(C(=O)O)N C115878 [0,2,0,0,0,0|1,0,1]=4 533 B14R1.542 C1=CC(=CC(=C1)O)C=C(C#N)C(=O)O A151282 [0,2,0,0,0,0|1,0,1]=4 534 B14R1.4257 C1=C(C=C(C=C1F)F)CC(C(=O)O)N S169546 [0,2,0,0,0,0|1,0,1]=4 535 B14R1.4474 C1=CC(=C(C=C1F)CC(C(=O)O)N)F D351829 [0,2,0,0,0,0|1,0,1]=4 536 B14R1.5971 C1=CC(=C(C(=C1)F)NC(=O)C(=O)O)F D486503 [0,2,0,0,0,0|1,0,0]=3 537 B14R1.5971 CC1=C(C(=CC=C1)C)NC(=O)C(=O)O D155293 [0,2,0,0,0,0|1,0,0]=3 538 B14R1.980 C1=CC=C(C=C1)CC(C(=O)O)NC=O N159871 [0,2,0,0,0,0|0,0,1]=3 539 B14R1.980 C1=CC=C(C=C1)CC(C(=O)O)NC=O N159873 [0,2,0,0,0,0|0,0,1]=3 540 B14R1.4513 C1=CC=C(C=C1)CC(C(=O)O)C(=O)O B152640 [0,2,0,0,0,0|0,0,1]=3 541 B14R1.4513 CC(=O)C(=CC1=CC=CC=C1)C(=O)C B469215 [0,2,0,0,0,0|1,0,1]=4 542 B14R1.4513 CN(C)C(CC1=CC=CC=C1)C(=O)O S305182 [0,2,0,0,0,0|1,0,1]=4 543 B12R2.18 C1=CC2=C(NC(=O)C2=O)N=C1 H193970 [1,0,0,1,0,0|2,0,0]=4 544 B12R2.18 C1=CC=C2C(=C1)C(=O)C(=O)N2 I104664 [1,0,0,1,0,0|1,0,0]=3 545 B12R2.18 C1=CC=C2C(=C1)C(=O)C(=O)N2 I104665 [1,0,0,1,0,0|1,0,0]=3 546 B12R2.18 C1=CC=C2C(=C1)C(=O)C(=O)N2 I426911 [1,0,0,1,0,0|1,0,0]=3 547 B12R2.18 C1C2=CC=CC=C2C(=O)C1=O I119930 [1,0,0,1,0,0|0,0,0]=2 548 B12R2.18 CC1CC2=CC=CC=C2C1=O M587676 [1,0,0,1,0,0|1,0,1]=4 549 B12R2.18 CN1C(=O)CC2=CC=CC=C21 M115489 [1,0,0,1,0,0|2,0,0]=4 550 B12R2.24 C1=CC=C2C(=C1)C=CC(=O)N2 Q160822 [1,0,0,1,0,0|2,0,0]=4 551 B12R2.24 C1=CC=C2C(=C1)C=CC(=O)O2 C104161 [1,0,0,1,0,0|2,0,0]=4 552 B12R2.24 C1=CC=C2C(=C1)C=CC(=O)O2 C104165 [1,0,0,1,0,0|2,0,0]=4 553 B12R2.24 C1=CC=C2C(=C1)C=CC(=O)O2 C104166 [1,0,0,1,0,0|2,0,0]=4 554 B12R2.24 C1=CC=C2C(=C1)C=CC(=O)O2 C357823 [1,0,0,1,0,0|2,0,0]=4 555 B12R2.24 C1=CC=C2C(=C1)C=CC(=O)O2 C426918 [1,0,0,1,0,0|2,0,0]=4 556 B12R2.24 C1=CC=C2C(=C1)NC(=O)C=N2 Q102233 [1,0,0,1,0,0|2,0,0]=4 557 B12R2.24 C1C(=O)NC2=CC=CC=C2O1 H157370 [1,0,0,1,0,0|1,0,1]=4 558 B12R2.24 C1C2=CC=CC=C2COC1=O I138843 [1,0,0,1,0,0|2,0,0]=4 559 B12R2.24 C1CC2=CC=CC=C2CC1=O T107488 [1,0,0,1,0,0|1,0,1]=4 560 B12R2.32 C1=CC=C2C(=C1)C=C(N2)C=O I124840 [1,0,0,1,0,0|1,0,1]=4 561 B12R2.32 C1=CC=C2C(=C1)C=C(O2)C=O B469207 [1,0,0,1,0,0|0,0,2]=4 562 B12R2.32 C1=CC=C2C(=C1)C=C(S2)C=O B123079 [1,0,0,1,0,0|0,1,1]=4 563 B12R2.32 C1=CC=C2C(=C1)N=C(S2)C=O B134105 [1,0,0,1,0,0|1,1,0]=4 564 B12R2.32 C1C(=NO)CC2=CC=CC=C21 I468135 [1,0,0,1,0,0|2,0,0]=4 565 B14R2.19 C1C(NC(=O)O1)CC2=CC=CC=C2 B117491 [0,0,0,1,0,1|1,0,1]=4 566 B14R2.19 C1C(NC(=O)O1)CC2=CC=CC=C2 B117536 [0,0,0,1,0,1|1,0,1]=4 567 B14R2.19 C1C(NC(=O)O1)CC2=CC=CC=C2 B117537 [0,0,0,1,0,1|1,0,1]=4 568 B14R2.598 C1=CC=C(C=C1)C2=CC(=O)OC2=O P120234 [0,0,0,1,0,1|1,0,1]=4 569 B14R2.598 C1=CC=C(C=C1)C2C(=O)NC(=O)N2 P160435 [0,0,0,1,0,1|1,0,0]=3 570 B14R2.598 C1C(C(=O)OC1=O)C2=CC=CC=C2 P102634 [0,0,0,1,0,1|1,0,0]=3 571 B14R2.598 CC1C(OC(=O)N1)C2=CC=CC=C2 I167709 [0,0,0,1,0,1|1,0,1]=4 572 B14R2.768 C1=CC=C2C(=C1)C=C(O2)CC(=O)O B194238 [0,0,0,1,0,1|0,0,2]=4 573 B14R2.779 C1C(CC1C(=O)O)C2=CC=CC=C2 P177089 [0,0,0,1,0,1|1,0,1]=4 574 B14R2.781 C1=CC=C2C(=C1)C=C(C=N2)C(=O)O Q103606 [0,0,0,1,0,1|1,0,1]=4 575 B14R2.781 C1=CC=C2C(=C1)C=CC(=N2)C(=O)O Q110294 [0,0,0,1,0,1|1,0,1]=4 576 B14R2.781 C1=CC=C2C(=C1)N=CC(=N2)C(=O)O Q113505 [0,0,0,1,0,1|1,0,1]=4 577 B14R2.781 C1=CC=C2C=C(C=CC2=C1)C(=O)O N141331 [0,0,0,1,0,1|1,0,1]=4 578 B14R2.781 C1=CC=C2C=NC(=CC2=C1)C(=O)O I122685 [0,0,0,1,0,1|1,0,1]=4 579 B14R2.781 C1=CC=C2C=NC(=CC2=C1)C(=O)O I122686 [0,0,0,1,0,1|1,0,1]=4 580 B14R2.781 C1C(CNC2=CC=CC=C21)C(=O)O T586436 [0,0,0,1,0,1|1,0,1]=4 581 B14R2.781 C1C(COC2=CC=CC=C21)C(=O)O D166145 [0,0,0,1,0,1|1,0,1]=4 582 B14R2.781 C1C(NCC2=CC=CC=C21)C(=O)O R132096 [0,0,0,1,0,1|1,0,1]=4 583 B14R2.781 C1C(NCC2=CC=CC=C21)C(=O)O R344665 [0,0,0,1,0,1|1,0,1]=4 584 B14R2.781 C1C(NCC2=CC=CC=C21)C(=O)O T115361 [0,0,0,1,0,1|1,0,1]=4 585 B14R2.781 C1C(NCC2=CC=CC=C21)C(=O)O T170264 [0,0,0,1,0,1|1,0,1]=4 586 B14R2.781 C1C(OC2=CC=CC=C2O1)C(=O)O B153003 [0,0,0,1,0,1|0,0,2]=4 587 B14R2.781 C1CC2=CC=CC=C2CC1C(=O)O T193795 [0,0,0,1,0,1|1,0,1]=4 588 B14R2.781 C1CC2=CC=CC=C2OC1C(=O)O C184937 [0,0,0,1,0,1|0,0,2]=4 589 B14R2.4402 C1C(C1C(=O)O)C2=CC=C(C=C2)Cl C590683 [0,1,0,1,0,0|1,0,1]=4 590 B14R2.4529 C1=CC2=C(C=C1Br)C=C(N2)C(=O)O B123332 [0,1,0,1,0,0|1,0,1]=4 591 B14R2.4529 C1=CC2=C(C=C1Br)NC(=C2)C(=O)O B152539 [0,1,0,1,0,0|1,0,1]=4 592 B14R2.4529 C1=CC2=C(C=C1Br)NC(=N2)C(=O)O B589014 [0,1,0,1,0,0|2,0,0]=4 593 B14R2.4529 C1=CC2=C(C=C1Cl)C=C(N2)C(=O)O C123333 [0,1,0,1,0,0|1,0,1]=4 594 B14R2.4529 C1=CC2=C(C=C1Cl)C=C(O2)C(=O)O C131843 [0,1,0,1,0,0|0,0,2]=4 595 B14R2.4529 C1=CC2=C(C=C1F)C=C(N2)C(=O)O F123372 [0,1,0,1,0,0|1,0,1]=4 596 B14R2.4529 C1=CC2=C(C=C1F)NC(=C2)C(=O)O F176073 [0,1,0,1,0,0|1,0,1]=4 597 B14R2.4529 C1=CC2=C(C=C1F)SC(=C2)C(=O)O F356779 [0,1,0,1,0,0|0,1,1]=4 598 B14R2.4529 C1=CC2=C(C=C1O)C=C(N2)C(=O)O H119318 [0,1,0,1,0,0|1,0,1]=4 599 B14R2.4529 CC1=CC2=C(C=C1)C=C(N2)C(=O)O M182288 [0,1,0,1,0,0|1,0,1]=4 600 B14R2.4529 CC1=CC2=C(C=C1)NC(=C2)C(=O)O M124813 [0,1,0,1,0,0|1,0,1]=4 601 B14R2.8239 CC1=CC2=C(C=C1)NC(=O)C(=O)N2 D155127 [0,1,0,1,0,0|2,0,0]=4 602 B14R2.972 COC(=O)C1=CC2=CC=CC=C2N1 M124780 [0,1,0,1,0,0|1,0,1]=4 603 B14R2.972 COC(=O)C1=CC2=CC=CC=C2O1 M181924 [0,1,0,1,0,0|0,0,2]=4 604 B14R2.972 COC(=O)C1=CC2=CC=CC=C2S1 M168796 [0,1,0,1,0,0|0,1,1]=4 605 B14R2.972 COC(=O)C1CC2=CC=CC=C2N1 I167213 [0,1,0,1,0,0|1,0,1]=4 606 B14R2.1128 C1=CC=C2C(=C1)C=C(C(=O)N2)C=O O188068 [0,1,0,1,0,0|1,0,1]=4 607 B14R2.1128 C1=CC=C2C=C(C(=CC2=C1)C=O)O H185354 [0,1,0,1,0,0|1,0,1]=4 608 B14R2.8188 C1C(C(=O)N(C2=CC=CC=C21)O)N P167978 [0,1,0,1,0,0|1,0,1]=4 609 B14R2.8188 C1C2=CC=CC=C2C(=O)N(C1=O)O H332991 [0,1,0,1,0,0|1,0,0]=3 610 B14R2.7969 C1=CC2=C(C(=C1)Br)NC(=C2)C(=O)O B124787 [0,1,0,1,0,0|1,0,1]=4 611 B14R2.7969 C1=CC2=C(C(=C1)Cl)NC(=C2)C(=O)O C183450 [0,1,0,1,0,0|1,0,1]=4 612 B14R2.7969 C1=CC2=C(C=C(S2)C(=O)O)C(=C1)Br B184938 [0,1,0,1,0,0|0,1,1]=4 613 B14R2.7969 C1=CC2=C(C=C(S2)C(=O)O)C(=C1)Cl C405516 [0,1,0,1,0,0|0,1,1]=4 614 B14R2.7969 CC1=C2C=C(NC2=CC=C1)C(=O)O M182287 [0,1,0,1,0,0|1,0,1]=4 615 B14R2.450 C1=CC=C2C(=C1)C(=C(N2)C(=O)O)Cl C405500 [0,1,0,1,0,0|1,0,1]=4 616 B14R2.450 C1=CC=C2C(=C1)C(=C(S2)C(=O)O)Br B469034 [0,1,0,1,0,0|0,1,1]=4 617 B14R2.450 C1=CC=C2C(=C1)C(=C(S2)C(=O)O)Cl C121050 [0,1,0,1,0,0|0,1,1]=4 618 B14R2.450 CC1=C(OC2=CC=CC=C12)C(=O)O M137129 [0,1,0,1,0,0|0,0,2]=4 619 B14R2.450 CC1=C(SC2=CC=CC=C12)C(=O)O M101867 [0,1,0,1,0,0|0,1,1]=4 620 B14R2.450 CN1C2=CC=CC=C2C=C1C(=O)O M131910 [0,1,0,1,0,0|1,0,1]=4 621 B10R1.15 C#CC(=O)C1=CC=CC=C1 P303550 [1,0,0,0,1,0|1,0,1]=4 622 B10R1.15 C1=CC=C(C=C1)C(=NO)N B139085 [1,0,0,0,1,0|2,0,0]=4 623 B10R1.15 C1=CC=C(C=C1)C(=O)C#N B101370 [1,0,0,0,1,0|1,0,1]=4 624 B10R1.15 C1=CC=C(C=C1)C(=O)C=O P165810 [1,0,0,0,1,0|0,0,0]=2 625 B10R1.15 C1=CC=C(C=C1)C(=O)CBr B103328 [1,0,0,0,1,0|1,0,1]=4 626 B10R1.15 C1=CC=C(C=C1)C(=O)CBr B131582 [1,0,0,0,1,0|1,0,1]=4 627 B10R1.15 C1=CC=C(C=C1)C(=O)CCl C475739 [1,0,0,0,1,0|1,0,1]=4 628 B10R1.15 C1=CC=C(C=C1)C(=O)CN A123237 [1,0,0,0,1,0|1,0,1]=4 629 B10R1.15 C1=CC=C(C=C1)C(=O)CO H102370 [1,0,0,0,1,0|0,0,1]=3 630 B10R1.15 C1=CC=C(C=C1)C(=O)NN B104697 [1,0,0,0,1,0|2,0,0]=4 631 B10R1.15 C1=CC=C(C=C1)C(=O)NO B152659 [1,0,0,0,1,0|1,0,0]=3 632 B10R1.15 C1=CC=C(C=C1)C(=O)N[O-] S161112 [1,0,0,0,1,0|1,0,1]=4 633 B10R1.15 C=CC(=O)C1=CC=CC=C1 P304587 [1,0,0,0,1,0|1,0,0]=3 634 B10R1.15 CC(=NO)C1=CC=CC=C1 A151383 [1,0,0,0,1,0|2,0,0]=4 635 B10R1.15 CC(=NO)C1=CC=CC=C1 A467913 [1,0,0,0,1,0|2,0,0]=4 636 B10R1.15 CC(C=O)C1=CC=CC=C1 P160754 [1,0,0,0,1,0|1,0,1]=4 637 B10R1.15 CN(C=O)C1=CC=CC=C1 M106700 [1,0,0,0,1,0|2,0,0]=4 638 B10R1.15 CNC(=O)C1=CC=CC=C1 N304144 [1,0,0,0,1,0|2,0,0]=4 639 B10R1.15 COC(=O)C1=CC=CC=C1 M108588 [1,0,0,0,1,0|2,0,0]=4 640 B10R1.15 COC(=O)C1=CC=CC=C1 M108589 [1,0,0,0,1,0|2,0,0]=4 641 B10R1.15 COC(=O)C1=CC=CC=C1 M108590 [1,0,0,0,1,0|2,0,0]=4 642 B10R1.15 COC(=O)C1=CC=CC=C1 M108591 [1,0,0,0,1,0|2,0,0]=4 643 B10R1.15 COC(=O)C1=CC=CC=C1 M282394 [1,0,0,0,1,0|2,0,0]=4 644 B10R1.15 C\C=C(\C)/C1=CC=CC=C1 C348081 [1,0,0,0,1,0|2,0,0]=4 645 B10R1.66 C1=CN(C=C1)CCC(=O)O D304839 [1,0,0,0,1,0|1,0,1]=4 646 B10R1.66 C1=COC(=C1)C=CC(=O)O F103094 [1,0,0,0,1,0|1,0,1]=4 647 B10R1.66 C1=COC(=C1)CCC(=O)O F188394 [1,0,0,0,1,0|1,0,1]=4 648 B10R1.66 C1=COC=C1C=CC(=O)O T341153 [1,0,0,0,1,0|1,0,1]=4 649 B10R1.66 C1=CSC(=C1)C=CC(=O)O T124452 [1,0,0,0,1,0|1,0,1]=4 650 B10R1.66 C1=CSC(=C1)C=CC(=O)O T162810 [1,0,0,0,1,0|1,0,1]=4 651 B10R1.66 C1=CSC(=C1)CCC(=O)O T472520 [1,0,0,0,1,0|1,0,1]=4 652 B10R1.66 C1=CSC=C1C=CC(=O)O E171720 [1,0,0,0,1,0|1,0,1]=4 653 B12R1.252 C1=CC=C(C=C1)C=CCC(=O)O I168223 [1,0,0,0,0,1|0,0,1]=3 654 B12R1.252 C1=CC=C(C=C1)CCCC(=O)O P132032 [1,0,0,0,0,1|0,0,1]=3 655 B12R1.252 C1=CC=C(C=C1)CCCC(=O)O P422236 [1,0,0,0,0,1|0,0,1]=3 656 B12R1.252 C1=CC=C(C=C1)CCCC(=O)[O-] S305161 [1,0,0,0,0,1|0,0,2]=4 657 B12R1.252 C1=CC=C(C=C1)CNCC(=O)O B116988 [1,0,0,0,0,1|0,0,1]=3 658 B12R1.252 C1=CC=C(C=C1)CNCC(=O)O N131794 [1,0,0,0,0,1|0,0,1]=3 659 B12R1.252 C1=CC=C(C=C1)COCC(=O)Cl B113756 [1,0,0,0,0,1|1,0,1]=4 660 B12R1.252 C1=CC=C(C=C1)COCC(=O)O B124198 [1,0,0,0,0,1|0,0,1]=3 661 B12R1.252 C1=CC=C(C=C1)OCCC(=O)O P136846 [1,0,0,0,0,1|0,0,1]=3 662 B12R1.252 CC(=O)COCC1=CC=CC=C1 B168757 [1,0,0,0,0,1|1,0,1]=4 663 B12R1.252 CC(=O)NCCC1=CC=CC=C1 N159423 [1,0,0,0,0,1|1,0,1]=4 664 B12R1.252 CC(=O)OCCC1=CC=CC=C1 P160150 [1,0,0,0,0,1|1,0,1]=4 665 B14R1.423 C1=CC=C(C=C1)CC(=O)NCC(=O)O N135929 [0,0,0,0,0,2|0,0,0]=2 666 B14R1.423 C1=CC=C(C=C1)CC(=O)NCC(=O)O P424317 [0,0,0,0,0,2|0,0,0]=2 667 B14R1.423 C1=CC=C(C=C1)CC(CCC(=O)O)N A342167 [0,0,0,0,0,2|1,0,1]=4 668 B14R1.423 C1=CC=C(C=C1)NC(=O)C=CC(=O)O N170968 [0,0,0,0,0,2|1,0,0]=3 669 B14R1.818 C1=CC=C(C=C1)COC(=O)CC(=O)O M341197 [0,0,0,0,0,2|0,0,0]=2 670 B14R1.818 CC(=O)CC(=O)NCC1=CC=CC=C1 B117238 [0,0,0,0,0,2|1,0,0]=3 671 B14R1.818 CC(=O)CC(=O)OCC1=CC=CC=C1 B151842 [0,0,0,0,0,2|1,0,0]=3 672 B14R1.818 CC(=O)CC(=O)OCC1=CC=CC=C1 B471282 [0,0,0,0,0,2|1,0,0]=3 673 B14R1.6449 C1=CC=C(C=C1)C=CCC(C(=O)O)N S352635 [0,0,0,0,0,2|1,0,1]=4 674 B14R1.6449 C1=CC=C(C=C1)COCC(C(=O)O)N B105978 [0,0,0,0,0,2|1,0,1]=4 675 B14R1.6449 C1=CC=C(C=C1)COCC(C(=O)O)N I137417 [0,0,0,0,0,2|1,0,1]=4 676 B14R1.6449 C1=CC=C(C=C1)COCC(C(=O)O)N O159916 [0,0,0,0,0,2|1,0,1]=4 677 B14R1.6449 C1=CC=C(C=C1)CSCC(C(=O)O)N B109016 [0,0,0,0,0,2|1,0,1]=4 678 B14R1.6449 CC(=C)C(=O)OCCC1=CC=CC=C1 P303565 [0,0,0,0,0,2|2,0,0]=4