0 B9R1.35 C1CC(=O)CC1C(=O)O H60414 [1,0,0,0,0,0|0,0,0]=1 1 B9R1.35 C1CC(=O)NC1C(=O)O L09424 [1,0,0,0,0,0|1,0,0]=2 2 B9R1.35 C1CC(=O)N[C@@H]1C(=O)O L11711 [1,0,0,0,0,0|1,0,0]=2 3 B9R1.35 C1CC(=O)N[C@H]1C(=O)O B24678 [1,0,0,0,0,0|1,0,0]=2 4 B9R1.35 C1C[C@@H](C[C@@H]1C(=O)O)N H52122 [1,0,0,0,0,0|1,0,1]=3 5 B9R1.35 C1C[C@H](C[C@H]1C(=O)O)N H52040 [1,0,0,0,0,0|1,0,1]=3 6 B9R1.35 C1[C@@H](CN[C@@H]1C(=O)O)O H27194 [1,0,0,0,0,0|1,0,2]=4 7 B9R1.35 C1[C@@H](CN[C@H]1C(=O)O)O H27421 [1,0,0,0,0,0|1,0,2]=4 8 B9R1.35 C1[C@H](CN[C@@H]1C(=O)O)O A11851 [1,0,0,0,0,0|1,0,2]=4 9 B9R1.35 C1[C@H](CN[C@H]1C(=O)O)O H27633 [1,0,0,0,0,0|1,0,2]=4 10 B9R1.35 C1[C@H](NCC1=O)C(=O)O H57691 [1,0,0,0,0,0|1,0,0]=2 11 B9R1.41 CN1CCC[C@H]1C(=O)O H63241 [1,0,0,0,0,0|1,0,1]=3 12 B9R0.1 COC(=O)CCCC(=O)Cl B25141 [0,0,1,0,0,0|2,0,0]=3 13 B9R0.1 COC(=O)CCCC(=O)O L09196 [0,0,1,0,0,0|1,0,0]=2 14 B9R0.13 CCCCC(CC)C(=O)Cl L03181 [0,0,1,0,0,0|2,0,1]=4 15 B9R0.13 CCCCC(CC)C(=O)O A12644 [0,0,1,0,0,0|1,0,1]=3 16 B9R0.13 CCCCC(CC)C(=O)O H54406 [0,0,1,0,0,0|1,0,1]=3 17 B9R0.13 CCCCC(CC)C(=O)[O-] 18590 [0,0,1,0,0,0|1,0,2]=4 18 B9R0.13 CCCCC(CC)C(=O)[O-] 20539 [0,0,1,0,0,0|1,0,2]=4 19 B9R0.13 CCCCC(CC)C(=O)[O-] 36575 [0,0,1,0,0,0|1,0,2]=4 20 B9R0.13 CCCCC(CC)C(=O)[O-] 36657 [0,0,1,0,0,0|1,0,2]=4 21 B9R0.13 CCCCC(CC)C(=O)[O-] 36659 [0,0,1,0,0,0|1,0,2]=4 22 B9R0.13 CCCCC(CC)C(=O)[O-] 36661 [0,0,1,0,0,0|1,0,2]=4 23 B9R0.13 CCCCC(CC)C(=O)[O-] 36710 [0,0,1,0,0,0|1,0,2]=4 24 B9R0.13 CCCCC(CC)C(=O)[O-] 36711 [0,0,1,0,0,0|1,0,2]=4 25 B9R0.13 CCCCC(CC)C(=O)[O-] 38607 [0,0,1,0,0,0|1,0,2]=4 26 B9R0.13 CCCCC(CC)C(=O)[O-] 39148 [0,0,1,0,0,0|1,0,2]=4 27 B9R0.13 CCCCC(CC)C(=O)[O-] 39163 [0,0,1,0,0,0|1,0,2]=4 28 B9R0.13 CCCCC(CC)C(=O)[O-] 39169 [0,0,1,0,0,0|1,0,2]=4 29 B9R0.13 CCCCC(CC)C(=O)[O-] 39174 [0,0,1,0,0,0|1,0,2]=4 30 B9R0.13 CCCCC(CC)C(=O)[O-] 39330 [0,0,1,0,0,0|1,0,2]=4 31 B9R0.13 CCCCC(CC)C(=O)[O-] 39440 [0,0,1,0,0,0|1,0,2]=4 32 B9R0.13 CCCCC(CC)C(=O)[O-] 39543 [0,0,1,0,0,0|1,0,2]=4 33 B9R0.13 CCCCC(CC)C(=O)[O-] 39560 [0,0,1,0,0,0|1,0,2]=4 34 B9R0.13 CCCCC(CC)C(=O)[O-] 39561 [0,0,1,0,0,0|1,0,2]=4 35 B9R0.13 CCCCC(CC)C(=O)[O-] 40451 [0,0,1,0,0,0|1,0,2]=4 36 B9R0.13 CCCCC(CC)C(=O)[O-] 40583 [0,0,1,0,0,0|1,0,2]=4 37 B9R0.13 CCCCC(CC)C(=O)[O-] 40584 [0,0,1,0,0,0|1,0,2]=4 38 B9R0.13 CCCCC(CC)C(=O)[O-] 40719 [0,0,1,0,0,0|1,0,2]=4 39 B9R0.13 CCCCC(CC)C(=O)[O-] 41268 [0,0,1,0,0,0|1,0,2]=4 40 B9R0.13 CCCCC(CC)C(=O)[O-] 41521 [0,0,1,0,0,0|1,0,2]=4 41 B9R0.13 CCCCC(CC)C(=O)[O-] 42380 [0,0,1,0,0,0|1,0,2]=4 42 B9R0.13 CCCCC(CC)C(=O)[O-] 42381 [0,0,1,0,0,0|1,0,2]=4 43 B9R0.13 CCCCC(CC)C(=O)[O-] 43356 [0,0,1,0,0,0|1,0,2]=4 44 B9R0.13 CCCCC(CC)C(=O)[O-] 43893 [0,0,1,0,0,0|1,0,2]=4 45 B9R0.13 CCCCC(CC)C(=O)[O-] 44021 [0,0,1,0,0,0|1,0,2]=4 46 B9R0.13 CCCCC(CC)C(=O)[O-] 44602 [0,0,1,0,0,0|1,0,2]=4 47 B9R0.13 CCCCC(CC)C(=O)[O-] 44635 [0,0,1,0,0,0|1,0,2]=4 48 B9R0.13 CCCCC(CC)C(=O)[O-] 44847 [0,0,1,0,0,0|1,0,2]=4 49 B9R0.13 CCCCC(CC)C(=O)[O-] 45500 [0,0,1,0,0,0|1,0,2]=4 50 B9R0.13 CCCCC(CC)C(=O)[O-] 71126 [0,0,1,0,0,0|1,0,2]=4 51 B9R0.13 CCCCC(CC)C(=O)[O-] 89307 [0,0,1,0,0,0|1,0,2]=4 52 B9R0.13 CCCCC(CC)C(=O)[O-] A16560 [0,0,1,0,0,0|1,0,2]=4 53 B9R0.13 CCCCC(CC)C(=O)[O-] A18266 [0,0,1,0,0,0|1,0,2]=4 54 B9R0.13 CCCCC(CC)C(=O)[O-] B23612 [0,0,1,0,0,0|1,0,2]=4 55 B9R0.13 CCCCC(CC)C(=O)[O-] B24960 [0,0,1,0,0,0|1,0,2]=4 56 B9R0.23 COC(=O)[C@@H](CC(=O)O)N H63658 [0,0,1,0,0,0|2,0,0]=3 57 B9R0.23 COC(=O)[C@H](CC(=O)O)N H63221 [0,0,1,0,0,0|2,0,0]=3 58 B9R0.23 C[C@@H](C(=O)OC)NC(=O)C H66990 [0,0,1,0,0,0|3,0,0]=4 59 B9R0.29 CC[C@H](C)[C@@H](C(=O)O)NC H65979 [0,0,1,0,0,0|2,0,1]=4 60 B9R0.79 C(C(C(=O)O)Br)(C(=O)O)Br H60306 [0,0,1,0,0,0|3,0,0]=4 61 B9R0.79 C(C(C(=O)O)O)(C(=O)O)O A10683 [0,0,1,0,0,0|3,0,0]=4 62 B9R0.79 [C@@H]([C@@H](C(=O)O)Br)(C(=O)O)Br B24382 [0,0,1,0,0,0|3,0,0]=4 63 B9R0.79 [C@@H]([C@@H](C(=O)O)S)(C(=O)O)S A17909 [0,0,1,0,0,0|3,0,0]=4 64 B9R0.79 [C@@H]([C@H](C(=O)O)O)(C(=O)O)O 36405 [0,0,1,0,0,0|3,0,0]=4 65 B9R0.79 [C@@H]([C@H](C(=O)O)O)(C(=O)O)O A13668 [0,0,1,0,0,0|3,0,0]=4 66 B9R0.79 [C@@H]([C@H](C(=O)O)O)(C(=O)O)O H60172 [0,0,1,0,0,0|3,0,0]=4 67 B9R0.79 [C@@H]([C@H](C(=O)[O-])O)(C(=O)O)O A15281 [0,0,1,0,0,0|3,0,0]=4 68 B9R0.79 [C@@H]([C@H](C(=O)[O-])O)(C(=O)O)O L12469 [0,0,1,0,0,0|3,0,0]=4 69 B9R0.79 [C@H]([C@@H](C(=O)O)O)(C(=O)O)O A11264 [0,0,1,0,0,0|3,0,0]=4 70 B9R0.79 [C@H]([C@@H](C(=O)O)O)(C(=O)O)O H61201 [0,0,1,0,0,0|3,0,0]=4 71 B8R0.6 CCCCCC(=O)CC A12113 [1,0,1,0,0,0|1,0,1]=4 72 B8R0.7 C(CCC(=O)O)CCBr A15761 [1,0,1,0,0,0|1,0,1]=4 73 B8R0.7 C(CCC(=O)O)CCN A14719 [1,0,1,0,0,0|1,0,1]=4 74 B8R0.7 C(CCC(=O)O)CCO B24857 [1,0,1,0,0,0|1,0,1]=4 75 B8R0.7 CCCCCCC(=O)C A11643 [1,0,1,0,0,0|1,0,1]=4 76 B8R0.7 CCCCCCC(=O)Cl L03315 [1,0,1,0,0,0|1,0,1]=4 77 B8R0.7 CCCCCCC(=O)O A17704 [1,0,1,0,0,0|0,0,1]=3 78 B8R0.7 CCCCOCC(=O)O H50210 [1,0,1,0,0,0|1,0,1]=4 79 B8R0.28 C(C(=O)O)NCC(=O)O A11510 [1,0,1,0,0,0|2,0,0]=4 80 B8R0.28 C(C(=O)O)OCC(=O)O B23758 [1,0,1,0,0,0|2,0,0]=4 81 B8R0.28 C(CC(=O)O)CC(=O)O A14595 [1,0,1,0,0,0|1,0,0]=3 82 B8R0.28 CC(=O)CCCC(=O)O L03978 [1,0,1,0,0,0|0,0,0]=2 83 B8R0.28 CC(=O)NCCC(=O)O H50208 [1,0,1,0,0,0|1,0,0]=3 84 B8R0.28 CC(C)CCCC(=O)O A19012 [1,0,1,0,0,0|1,0,1]=4 85 B8R0.28 CN(C)CCCC(=O)O A16610 [1,0,1,0,0,0|2,0,0]=4 86 B8R0.8 CCCCC(C)C(=O)O A11290 [1,0,1,0,0,0|1,0,1]=4 87 B8R0.11 CCCCC(CC)C=O B23471 [1,0,1,0,0,0|1,0,1]=4 88 B8R0.9 C(C(=O)NCC(=O)O)N A10523 [1,0,1,0,0,0|2,0,0]=4 89 B8R0.9 C(C(=O)O)NC(=O)CCl L07651 [1,0,1,0,0,0|2,0,0]=4 90 B8R0.9 C(CC(=O)O)C(=O)CN A16942 [1,0,1,0,0,0|1,0,0]=3 91 B8R0.9 CC(=O)CCC(=O)OC 43397 [1,0,1,0,0,0|2,0,0]=4 92 B8R0.9 COC(=O)CCC(=O)O H59722 [1,0,1,0,0,0|1,0,0]=3 93 B8R0.23 C(C(C(=O)O)Br)C(=O)O B22829 [1,0,1,0,0,0|2,0,0]=4 94 B8R0.23 C(C(C(=O)O)N)C(=O)N B20273 [1,0,1,0,0,0|2,0,0]=4 95 B8R0.23 C(C(C(=O)O)N)C(=O)O A13646 [1,0,1,0,0,0|2,0,0]=4 96 B8R0.23 C(C(C(=O)O)O)C(=O)O A17874 [1,0,1,0,0,0|2,0,0]=4 97 B8R0.23 C(C(C(=O)O)O)C(=O)[O-] A19428 [1,0,1,0,0,0|2,0,0]=4 98 B8R0.23 C(C(C(=O)O)S)C(=O)O B23301 [1,0,1,0,0,0|2,0,0]=4 99 B8R0.23 C([C@@H](C(=O)O)N)C(=O)N A15012 [1,0,1,0,0,0|2,0,0]=4 100 B8R0.23 C([C@@H](C(=O)O)N)C(=O)N B21473 [1,0,1,0,0,0|2,0,0]=4 101 B8R0.23 C([C@@H](C(=O)O)N)C(=O)O 43317 [1,0,1,0,0,0|2,0,0]=4 102 B8R0.23 C([C@@H](C(=O)O)N)C(=O)O A13520 [1,0,1,0,0,0|2,0,0]=4 103 B8R0.23 C([C@@H](C(=O)O)O)C(=O)O A13702 [1,0,1,0,0,0|2,0,0]=4 104 B8R0.23 C([C@@H](C(=O)[O-])N)C(=O)O B22321 [1,0,1,0,0,0|2,0,0]=4 105 B8R0.23 C([C@H](C(=O)O)N)C(=O)N B24556 [1,0,1,0,0,0|2,0,0]=4 106 B8R0.23 C([C@H](C(=O)O)N)C(=O)O B21184 [1,0,1,0,0,0|2,0,0]=4 107 B8R0.23 C([C@H](C(=O)O)O)C(=O)O A11688 [1,0,1,0,0,0|2,0,0]=4 108 B8R0.23 CC(C(=O)C)OC(=O)C L06927 [1,0,1,0,0,0|2,0,0]=4 109 B8R0.23 CC(C(=O)O)NC(=O)C L10329 [1,0,1,0,0,0|1,0,0]=3 110 B8R0.23 CC(CC(=O)O)C(=O)O H60967 [1,0,1,0,0,0|1,0,0]=3 111 B8R0.23 C[C@@H](C(=O)O)NC(=O)C L11811 [1,0,1,0,0,0|1,0,0]=3 112 B8R0.23 C[C@H](C(=O)O)NC(=O)C H63450 [1,0,1,0,0,0|1,0,0]=3 113 B8R0.2 CC[C@@H](C)[C@H](C(=O)O)N H27488 [1,0,1,0,0,0|1,0,1]=4 114 B8R0.2 CC[C@H](C)[C@@H](C(=O)O)N A13699 [1,0,1,0,0,0|1,0,1]=4 115 B8R0.2 CC[C@H](C)[C@@H](C(=O)O)N A17521 [1,0,1,0,0,0|1,0,1]=4 116 B8R0.2 CC[C@H](C)[C@H](C(=O)O)N H27189 [1,0,1,0,0,0|1,0,1]=4 117 B8R0.18 CCC(C(=O)C)C(=O)[O-] 41489 [1,0,1,0,0,0|0,0,2]=4 118 B8R0.18 CCC(C(=O)C)C(=O)[O-] 89349 [1,0,1,0,0,0|0,0,2]=4 119 B8R0.18 CCC(C(=O)C)C(=O)[O-] 89350 [1,0,1,0,0,0|0,0,2]=4 120 B8R0.18 CCC(C(=O)O)C(=O)O B20715 [1,0,1,0,0,0|1,0,1]=4 121 B8R1.1 C1CC(=O)N[C@@H]1CO L18359 [2,0,0,0,0,0|1,0,1]=4 122 B8R1.1 C1CC(=O)N[C@H]1CO L18358 [2,0,0,0,0,0|1,0,1]=4 123 B8R1.1 CCC1CCC(=O)C1 B20432 [2,0,0,0,0,0|1,0,1]=4 124 B8R1.7 C1C=CCC1C(=O)O B25456 [2,0,0,0,0,0|0,0,1]=3 125 B8R1.7 C1CC(NC1)C(=O)O A13137 [2,0,0,0,0,0|1,0,1]=4 126 B8R1.7 C1CC(OC1)C(=O)O B22927 [2,0,0,0,0,0|1,0,1]=4 127 B8R1.7 C1CCC(C1)C(=O)Cl A14142 [2,0,0,0,0,0|1,0,1]=4 128 B8R1.7 C1CCC(C1)C(=O)O A12375 [2,0,0,0,0,0|0,0,1]=3 129 B8R1.7 C1CNCC1C(=O)O H57365 [2,0,0,0,0,0|1,0,0]=3 130 B8R1.7 C1CNC[C@@H]1C(=O)O H57356 [2,0,0,0,0,0|1,0,0]=3 131 B8R1.7 C1CNC[C@H]1C(=O)O H57895 [2,0,0,0,0,0|1,0,0]=3 132 B8R1.7 C1COC[C@H]1C(=O)O H66392 [2,0,0,0,0,0|1,0,0]=3 133 B8R1.7 C1C[C@@H](NC1)C(=O)O A10682 [2,0,0,0,0,0|1,0,1]=4 134 B8R1.7 C1C[C@@H](OC1)C(=O)O L19410 [2,0,0,0,0,0|1,0,1]=4 135 B8R1.7 C1C[C@H](NC1)C(=O)O A10199 [2,0,0,0,0,0|1,0,1]=4 136 B8R1.7 C1C[C@H](OC1)C(=O)O L19411 [2,0,0,0,0,0|1,0,1]=4 137 B8R1.7 CC(=O)C1CCCC1 H64744 [2,0,0,0,0,0|1,0,1]=4 138 B8R1.50 CC1C(=O)CCC1=O A13936 [2,0,0,0,0,0|0,0,1]=3 139 B8R1.50 CN1C(=O)CCC1=O A12956 [2,0,0,0,0,0|1,0,1]=4 140 B10R0.3 CCOC(=O)CCCC(=O)C L17848 [0,1,1,0,0,0|1,0,0]=3 141 B10R0.3 CCOC(=O)CCCC(=O)O L03941 [0,1,1,0,0,0|0,0,0]=2 142 B10R0.57 COC(=O)[C@H](CCC(=O)O)N H63279 [0,1,1,0,0,0|1,0,0]=3 143 B10R0.59 COC(=O)CCCC(=O)OC B24359 [0,1,1,0,0,0|1,0,0]=3 144 B10R0.59 COC(=O)CNCC(=O)OC B25729 [0,1,1,0,0,0|2,0,0]=4 145 B10R0.82 COC(=O)CC[C@@H](C(=O)O)N B24859 [0,1,1,0,0,0|1,0,0]=3 146 B10R0.84 CCC(CCC(=O)Cl)C(=O)Cl H59443 [0,1,1,0,0,0|1,0,0]=3 147 B10R0.46 COC(=O)C[C@H](C(=O)OC)N H63197 [0,1,1,0,0,0|2,0,0]=4 148 B10R1.14 COC(=O)C1CCC(=O)N1 H64804 [1,1,0,0,0,0|1,0,0]=3 149 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 44638 [1,1,0,0,0,0|1,0,0]=3 150 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 H62543 [1,1,0,0,0,0|1,0,0]=3 151 B10R1.14 COC(=O)[C@H]1CCC(=O)N1 H31236 [1,1,0,0,0,0|1,0,0]=3 152 B10R1.13 C1CC(=O)CCC1C(=O)O H27294 [0,0,1,1,0,0|0,0,0]=2 153 B10R1.13 C1[C@@H](CC[C@@H](C1)N)C(=O)O H27567 [0,0,1,1,0,0|1,0,1]=4 154 B10R1.13 C1[C@@H](CC[C@H](C1)N)C(=O)O H27489 [0,0,1,1,0,0|1,0,1]=4 155 B10R1.13 C1[C@@H](CC[C@H](C1)N)C(=O)O H31114 [0,0,1,1,0,0|1,0,1]=4 156 B10R1.13 CC(=O)N1CCC(=O)CC1 A13512 [0,0,1,1,0,0|2,0,0]=4 157 B10R1.13 CN1CCC(CC1)C(=O)O H33083 [0,0,1,1,0,0|2,0,0]=4 158 B10R1.13 C[C@H]1CC[C@@H](CC1)C(=O)O H27455 [0,0,1,1,0,0|1,0,1]=4 159 B10R1.64 C1CC(=O)N(C1)CC(=O)O H66260 [0,0,1,1,0,0|1,0,0]=3 160 B10R1.64 C1CC(C(=O)C1)CC(=O)O H26977 [0,0,1,1,0,0|0,0,0]=2 161 B8R1.23 C1C(CC1=O)C(=O)O H64774 [1,0,0,0,1,0|0,0,0]=2 162 B10R0.55 COC(=O)CCCCC(=O)Cl L04377 [0,0,1,0,0,1|2,0,0]=4 163 B10R0.55 COC(=O)CCCCC(=O)O L09061 [0,0,1,0,0,1|1,0,0]=3 164 B10R1.113 C1C[C@H](C[C@@H](C1)N)C(=O)O H62232 [1,0,0,0,0,1|1,0,1]=4