0 B9R1.35 C1CC(=O)CC1C(=O)O H60414 [0,0,0,0,0,0|1,0,0]=1 1 B9R1.35 C1CC(=O)NC1C(=O)O L09424 [0,0,0,0,0,0|0,0,0]=0 2 B9R1.35 C1CC(=O)N[C@@H]1C(=O)O L11711 [0,0,0,0,0,0|0,0,0]=0 3 B9R1.35 C1CC(=O)N[C@H]1C(=O)O B24678 [0,0,0,0,0,0|0,0,0]=0 4 B9R1.35 C1C[C@@H](C[C@@H]1C(=O)O)N H52122 [0,0,0,0,0,0|2,0,1]=3 5 B9R1.35 C1C[C@H](C[C@H]1C(=O)O)N H52040 [0,0,0,0,0,0|2,0,1]=3 6 B9R1.35 C1[C@@H](CN[C@@H]1C(=O)O)O H27194 [0,0,0,0,0,0|2,0,2]=4 7 B9R1.35 C1[C@@H](CN[C@H]1C(=O)O)O H27421 [0,0,0,0,0,0|2,0,2]=4 8 B9R1.35 C1[C@H](CN[C@@H]1C(=O)O)O A11851 [0,0,0,0,0,0|2,0,2]=4 9 B9R1.35 C1[C@H](CN[C@H]1C(=O)O)O H27633 [0,0,0,0,0,0|2,0,2]=4 10 B9R1.35 C1[C@H](NCC1=O)C(=O)O H57691 [0,0,0,0,0,0|2,0,0]=2 11 B9R1.35 CC(C)[C@@H]1COC(=O)N1 L14518 [0,0,0,0,0,0|3,0,1]=4 12 B9R1.35 CC(C)[C@H]1COC(=O)N1 A14029 [0,0,0,0,0,0|3,0,1]=4 13 B8R1.1 C1CC(=O)N[C@@H]1CO L18359 [1,0,0,0,0,0|0,0,1]=2 14 B8R1.1 C1CC(=O)N[C@H]1CO L18358 [1,0,0,0,0,0|0,0,1]=2 15 B8R1.1 C=CC1COC(=O)O1 H60822 [1,0,0,0,0,0|3,0,0]=4 16 B8R1.1 CCC1CCC(=O)C1 B20432 [1,0,0,0,0,0|2,0,1]=4 17 B8R1.1 CCC1CCC(=O)O1 A19642 [1,0,0,0,0,0|2,0,1]=4 18 B8R1.7 C1C=CCC1C(=O)O B25456 [1,0,0,0,0,0|1,0,1]=3 19 B8R1.7 C1CC(NC1)C(=O)O A13137 [1,0,0,0,0,0|0,0,1]=2 20 B8R1.7 C1CC(OC1)C(=O)O B22927 [1,0,0,0,0,0|1,0,1]=3 21 B8R1.7 C1CC=C(C1)C(=O)O A13271 [1,0,0,0,0,0|1,0,2]=4 22 B8R1.7 C1CCC(C1)C(=O)Cl A14142 [1,0,0,0,0,0|2,0,1]=4 23 B8R1.7 C1CCC(C1)C(=O)O A12375 [1,0,0,0,0,0|1,0,1]=3 24 B8R1.7 C1CNCC1C(=O)O H57365 [1,0,0,0,0,0|2,0,0]=3 25 B8R1.7 C1CNC[C@@H]1C(=O)O H57356 [1,0,0,0,0,0|2,0,0]=3 26 B8R1.7 C1CNC[C@H]1C(=O)O H57895 [1,0,0,0,0,0|2,0,0]=3 27 B8R1.7 C1COC[C@H]1C(=O)O H66392 [1,0,0,0,0,0|2,0,0]=3 28 B8R1.7 C1CSC(N1)C(=O)O A11564 [1,0,0,0,0,0|1,0,1]=3 29 B8R1.7 C1CS[C@H](N1)C(=O)O A15033 [1,0,0,0,0,0|1,0,1]=3 30 B8R1.7 C1C[C@@H](NC1)C(=O)N H30901 [1,0,0,0,0,0|1,0,1]=3 31 B8R1.7 C1C[C@@H](NC1)C(=O)N H65690 [1,0,0,0,0,0|1,0,1]=3 32 B8R1.7 C1C[C@@H](NC1)C(=O)O A10682 [1,0,0,0,0,0|0,0,1]=2 33 B8R1.7 C1C[C@@H](OC1)C(=O)O L19410 [1,0,0,0,0,0|1,0,1]=3 34 B8R1.7 C1C[C@H](NC1)C(=O)N L20417 [1,0,0,0,0,0|1,0,1]=3 35 B8R1.7 C1C[C@H](NC1)C(=O)O A10199 [1,0,0,0,0,0|0,0,1]=2 36 B8R1.7 C1C[C@H](OC1)C(=O)O L19411 [1,0,0,0,0,0|1,0,1]=3 37 B8R1.7 CC(=O)C1CCCC1 H64744 [1,0,0,0,0,0|2,0,1]=4 38 B8R1.7 c1cc([nH]c1)C(=O)O L13756 [1,0,0,0,0,0|0,0,3]=4 39 B10R1.14 C1CN(NC1=O)C(=O)CCl H27829 [0,1,0,0,0,0|2,0,0]=3 40 B10R1.14 COC(=O)C1CCC(=O)N1 H64804 [0,1,0,0,0,0|0,0,0]=1 41 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 44638 [0,1,0,0,0,0|0,0,0]=1 42 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 H62543 [0,1,0,0,0,0|0,0,0]=1 43 B10R1.14 COC(=O)[C@H]1CCC(=O)N1 H31236 [0,1,0,0,0,0|0,0,0]=1 44 B10R1.31 CCC1NC(CS1)C(=O)O H62626 [0,1,0,0,0,0|2,0,1]=4 45 B8R0.8 C(CC(C(=O)O)N)CN A18173 [0,0,1,0,0,0|1,0,1]=3 46 B8R0.8 C(C[C@@H](C(=O)O)N)CN A12111 [0,0,1,0,0,0|1,0,1]=3 47 B8R0.8 C(C[C@H](C(=O)O)N)CN L00793 [0,0,1,0,0,0|1,0,1]=3 48 B8R0.8 CCCCC(C(=O)O)Br B24228 [0,0,1,0,0,0|2,0,1]=4 49 B8R0.8 CCCCC(C(=O)O)N A10791 [0,0,1,0,0,0|1,0,1]=3 50 B8R0.8 CCCCC(C)C(=O)O A11290 [0,0,1,0,0,0|2,0,1]=4 51 B8R0.8 CCCC[C@@H](C(=O)O)N L03913 [0,0,1,0,0,0|1,0,1]=3 52 B8R0.8 CCCC[C@H](C(=O)O)N L08257 [0,0,1,0,0,0|1,0,1]=3 53 B8R0.8 CSCCC(C(=O)O)N A11457 [0,0,1,0,0,0|2,0,0]=3 54 B8R0.8 CSCC[C@@H](C(=O)O)N A10318 [0,0,1,0,0,0|2,0,0]=3 55 B8R0.8 CSCC[C@@H](C(=O)O)N B21342 [0,0,1,0,0,0|2,0,0]=3 56 B8R0.8 CSCC[C@H](C(=O)O)N B21213 [0,0,1,0,0,0|2,0,0]=3 57 B8R0.9 C(C(=O)NCC(=O)O)N A10523 [0,0,1,0,0,0|1,0,0]=2 58 B8R0.9 C(C(=O)O)NC(=O)CCl L07651 [0,0,1,0,0,0|1,0,0]=2 59 B8R0.9 C(CC(=O)O)C(=O)CN A16942 [0,0,1,0,0,0|2,0,0]=3 60 B8R0.9 CC(=O)CCC(=O)OC 43397 [0,0,1,0,0,0|3,0,0]=4 61 B8R0.9 CNC(=O)\C=C/C(=O)O L00614 [0,0,1,0,0,0|2,0,1]=4 62 B8R0.9 COC(=O)CCC(=O)O H59722 [0,0,1,0,0,0|2,0,0]=3 63 B8R0.23 C(C(C(=O)O)Br)C(=O)O B22829 [0,0,1,0,0,0|3,0,0]=4 64 B8R0.23 C(C(C(=O)O)N)C(=O)N B20273 [0,0,1,0,0,0|3,0,0]=4 65 B8R0.23 C(C(C(=O)O)N)C(=O)O A13646 [0,0,1,0,0,0|3,0,0]=4 66 B8R0.23 C(C(C(=O)O)O)C(=O)O A17874 [0,0,1,0,0,0|3,0,0]=4 67 B8R0.23 C(C(C(=O)O)O)C(=O)[O-] A19428 [0,0,1,0,0,0|3,0,0]=4 68 B8R0.23 C(C(C(=O)O)S)C(=O)O B23301 [0,0,1,0,0,0|3,0,0]=4 69 B8R0.23 C([C@@H](C(=O)O)N)C(=O)N A15012 [0,0,1,0,0,0|3,0,0]=4 70 B8R0.23 C([C@@H](C(=O)O)N)C(=O)N B21473 [0,0,1,0,0,0|3,0,0]=4 71 B8R0.23 C([C@@H](C(=O)O)N)C(=O)O 43317 [0,0,1,0,0,0|3,0,0]=4 72 B8R0.23 C([C@@H](C(=O)O)N)C(=O)O A13520 [0,0,1,0,0,0|3,0,0]=4 73 B8R0.23 C([C@@H](C(=O)O)O)C(=O)O A13702 [0,0,1,0,0,0|3,0,0]=4 74 B8R0.23 C([C@H](C(=O)O)N)C(=O)N B24556 [0,0,1,0,0,0|3,0,0]=4 75 B8R0.23 C([C@H](C(=O)O)N)C(=O)O B21184 [0,0,1,0,0,0|3,0,0]=4 76 B8R0.23 C([C@H](C(=O)O)O)C(=O)O A11688 [0,0,1,0,0,0|3,0,0]=4 77 B8R0.23 CC(=O)NC(=C)C(=O)O L01649 [0,0,1,0,0,0|0,0,2]=3 78 B8R0.23 CC(C(=O)C)OC(=O)C L06927 [0,0,1,0,0,0|2,0,0]=3 79 B8R0.23 CC(C(=O)O)NC(=O)C L10329 [0,0,1,0,0,0|0,0,0]=1 80 B8R0.23 CC(CC(=O)O)C(=O)O H60967 [0,0,1,0,0,0|2,0,0]=3 81 B8R0.23 C[C@@H](C(=O)O)NC(=O)C L11811 [0,0,1,0,0,0|0,0,0]=1 82 B8R0.23 C[C@H](C(=O)O)NC(=O)C H63450 [0,0,1,0,0,0|0,0,0]=1 83 B8R0.23 C\C(=C\C(=O)O)\C(=O)O L04178 [0,0,1,0,0,0|2,0,1]=4 84 B8R0.28 C(C(=O)N)SCC(=O)N B25254 [0,0,1,0,0,0|2,0,0]=3 85 B8R0.28 C(C(=O)O)NCC(=O)O A11510 [0,0,1,0,0,0|2,0,0]=3 86 B8R0.28 C(C(=O)O)OCC(=O)O B23758 [0,0,1,0,0,0|2,0,0]=3 87 B8R0.28 C(C(=O)[O-])NCC(=O)[O-] 43809 [0,0,1,0,0,0|2,0,1]=4 88 B8R0.28 C(CC(=O)O)CC(=O)O A14595 [0,0,1,0,0,0|1,0,0]=2 89 B8R0.28 C(CC(=S)O)CC(=S)O A18154 [0,0,1,0,0,0|1,1,1]=4 90 B8R0.28 CC(=O)CCCC(=O)O L03978 [0,0,1,0,0,0|1,0,0]=2 91 B8R0.28 CC(=O)NCCC(=O)O H50208 [0,0,1,0,0,0|2,0,0]=3 92 B8R0.28 CC(C)CCCC(=O)O A19012 [0,0,1,0,0,0|2,0,1]=4 93 B8R0.28 CN(C)CCCC(=O)O A16610 [0,0,1,0,0,0|3,0,0]=4 94 B8R1.23 C1C(CC1=O)C(=O)O H64774 [0,0,0,0,1,0|1,0,0]=2 95 B10R1.13 C1CC(=O)CCC1C(=O)O H27294 [0,0,0,0,0,1|1,0,0]=2 96 B10R1.13 C1CC(=O)NN=C1C(=O)O B20289 [0,0,0,0,0,1|0,0,1]=2 97 B10R1.13 C1[C@@H](CC[C@@H](C1)N)C(=O)O H27567 [0,0,0,0,0,1|2,0,1]=4 98 B10R1.13 C1[C@@H](CC[C@H](C1)N)C(=O)O H27489 [0,0,0,0,0,1|2,0,1]=4 99 B10R1.13 C1[C@@H](CC[C@H](C1)N)C(=O)O H31114 [0,0,0,0,0,1|2,0,1]=4 100 B10R1.13 CC(=O)N1CCC(=O)CC1 A13512 [0,0,0,0,0,1|3,0,0]=4 101 B10R1.13 CN1CCC(CC1)C(=O)O H33083 [0,0,0,0,0,1|3,0,0]=4 102 B10R1.13 C[C@H]1CC[C@@H](CC1)C(=O)O H27455 [0,0,0,0,0,1|2,0,1]=4 103 B10R1.113 C1C[C@H](C[C@@H](C1)N)C(=O)O H62232 [0,0,0,0,0,1|2,0,1]=4 104 B7R0.3 CCC(=O)SCC=C B22532 [1,0,1,0,0,0|2,0,0]=4 105 B7R0.4 C#CCCCC(=O)O B25132 [1,0,1,0,0,0|1,0,1]=4 106 B7R0.4 C(CC#N)CC(=O)O H66674 [1,0,1,0,0,0|0,0,2]=4 107 B7R0.4 C(CCBr)CC(=O)O A11765 [1,0,1,0,0,0|1,0,1]=4 108 B7R0.4 C(CCN)CC(=O)O A15043 [1,0,1,0,0,0|0,0,1]=3 109 B7R0.4 C(CCN)CC(=O)O B24788 [1,0,1,0,0,0|0,0,1]=3 110 B7R0.4 C(COCC(=O)O)N H52289 [1,0,1,0,0,0|1,0,1]=4 111 B7R0.4 C=CCCCC(=O)O L12863 [1,0,1,0,0,0|1,0,0]=3 112 B7R0.4 CCCCCC(=O)N H25929 [1,0,1,0,0,0|1,0,1]=4 113 B7R0.4 CCCCCC(=O)O A13789 [1,0,1,0,0,0|1,0,1]=4 114 B7R0.4 CC\C=C\CC(=O)O A13428 [1,0,1,0,0,0|1,0,0]=3 115 B7R0.4 C\C=C\CCC(=O)O L02724 [1,0,1,0,0,0|1,0,1]=4 116 B7R0.5 C#CC[C@H](C(=O)O)N H65798 [1,0,1,0,0,0|0,0,2]=4 117 B7R0.5 C(CN)C(C(=O)O)N A15408 [1,0,1,0,0,0|1,0,0]=3 118 B7R0.5 C(CN)[C@@H](C(=O)O)N L10093 [1,0,1,0,0,0|1,0,0]=3 119 B7R0.5 C(CN)[C@@H](C(=O)O)O H28796 [1,0,1,0,0,0|2,0,0]=4 120 B7R0.5 C(CO)C(C(=O)O)N H63118 [1,0,1,0,0,0|0,0,1]=3 121 B7R0.5 C(CO)[C@@H](C(=O)O)N L12427 [1,0,1,0,0,0|0,0,1]=3 122 B7R0.5 C=CC[C@@H](C(=O)O)N H52097 [1,0,1,0,0,0|0,0,1]=3 123 B7R0.5 C=CC[C@H](C(=O)O)N H52112 [1,0,1,0,0,0|0,0,1]=3 124 B7R0.5 CC(CC=C)C(=O)O A11297 [1,0,1,0,0,0|1,0,1]=4 125 B7R0.5 CCCC(C(=O)O)Br L07047 [1,0,1,0,0,0|1,0,1]=4 126 B7R0.5 CCCC(C(=O)O)N A15900 [1,0,1,0,0,0|0,0,1]=3 127 B7R0.5 CCCC(C)C(=O)O A13873 [1,0,1,0,0,0|1,0,1]=4 128 B7R0.5 CCC[C@@H](C(=O)O)N L08658 [1,0,1,0,0,0|0,0,1]=3 129 B7R0.5 CCC[C@H](C(=O)O)N B23444 [1,0,1,0,0,0|0,0,1]=3 130 B7R0.5 COC[C@@H](C(=O)O)N H52562 [1,0,1,0,0,0|1,0,1]=4 131 B7R0.5 COC[C@H](C(=O)O)N H65884 [1,0,1,0,0,0|1,0,1]=4 132 B7R0.6 C(C(=O)O)NC(=N)N L16281 [1,0,1,0,0,0|2,0,0]=4 133 B7R0.6 C(CC(=O)O)C(=O)N L06539 [1,0,1,0,0,0|2,0,0]=4 134 B7R0.6 C(CC(=O)O)C(=O)O 33272 [1,0,1,0,0,0|2,0,0]=4 135 B7R0.6 C(CC(=O)O)C(=O)O A12084 [1,0,1,0,0,0|2,0,0]=4 136 B7R0.6 CC(=O)CCC(=O)C B25686 [1,0,1,0,0,0|2,0,0]=4 137 B7R0.6 CC(=O)CCC(=O)O A10813 [1,0,1,0,0,0|1,0,0]=3 138 B7R0.6 CC(=O)COC(=O)C H31346 [1,0,1,0,0,0|2,0,0]=4 139 B7R0.6 CC(=O)NCC(=O)N B24940 [1,0,1,0,0,0|1,0,0]=3 140 B7R0.6 CC(=O)NCC(=O)O B21887 [1,0,1,0,0,0|0,0,0]=2 141 B7R0.6 CC(=O)NNC(=O)C A13393 [1,0,1,0,0,0|2,0,0]=4 142 B7R0.6 CC(=O)OCC(=O)Cl H25797 [1,0,1,0,0,0|2,0,0]=4 143 B7R0.6 CC(=O)\C=C\C(=O)O L02185 [1,0,1,0,0,0|1,0,1]=4 144 B7R0.15 CCC(CC)C(=O)O A16989 [1,0,1,0,0,0|1,0,1]=4 145 B7R1.1 C1CC(NC1)CO H62322 [2,0,0,0,0,0|0,0,2]=4 146 B7R1.1 C1CCC(C1)C=O H56609 [2,0,0,0,0,0|1,0,1]=4 147 B7R1.1 C1C[C@@H](NC1)CO L11109 [2,0,0,0,0,0|0,0,2]=4 148 B7R1.1 C1C[C@H](NC1)CO L09779 [2,0,0,0,0,0|0,0,2]=4 149 B7R1.2 C1C(=O)NC(=O)N1 A12486 [2,0,0,0,0,0|1,0,1]=4 150 B7R1.2 C1C(=O)NC(=O)S1 A13496 [2,0,0,0,0,0|1,0,1]=4 151 B7R1.2 C1C(COC1=O)O L20257 [2,0,0,0,0,0|2,0,0]=4 152 B7R1.2 C1CC(=O)CC1=O L10336 [2,0,0,0,0,0|1,0,1]=4 153 B7R1.2 C1CC(=O)NC1=O A13503 [2,0,0,0,0,0|0,0,1]=3 154 B7R1.2 C1CC(=O)OC1=O A12245 [2,0,0,0,0,0|1,0,1]=4 155 B7R1.2 C1[C@@H](CNC1=O)O H66455 [2,0,0,0,0,0|2,0,0]=4 156 B7R1.2 C1[C@@H](COC1=O)O L20256 [2,0,0,0,0,0|2,0,0]=4 157 B7R1.2 C1[C@H](CNC1=O)O H66006 [2,0,0,0,0,0|2,0,0]=4 158 B7R1.2 C1[C@H](COC1=O)O L20255 [2,0,0,0,0,0|2,0,0]=4 159 B7R1.2 CC1CCC(=O)C1 L04940 [2,0,0,0,0,0|1,0,1]=4 160 B7R1.2 CC1CCC(=O)O1 A18872 [2,0,0,0,0,0|1,0,1]=4 161 B9R0.7 C(CC(=O)N)C(C(=O)O)N H62915 [0,1,1,0,0,0|0,0,0]=2 162 B9R0.7 C(CC(=O)N)[C@@H](C(=O)O)N A14201 [0,1,1,0,0,0|0,0,0]=2 163 B9R0.7 C(CC(=O)O)C(=O)C(=O)O A10256 [0,1,1,0,0,0|1,0,1]=4 164 B9R0.7 C(CC(=O)O)C(C(=O)O)N A17719 [0,1,1,0,0,0|0,0,0]=2 165 B9R0.7 C(CC(=O)O)C(C(=O)O)N H63075 [0,1,1,0,0,0|0,0,0]=2 166 B9R0.7 C(CC(=O)O)[C@@H](C(=O)O)N A12505 [0,1,1,0,0,0|0,0,0]=2 167 B9R0.7 C(CC(=O)O)[C@@H](C(=O)O)N A15031 [0,1,1,0,0,0|0,0,0]=2 168 B9R0.7 C(CC(=O)O)[C@@H](C(=O)[O-])N A12919 [0,1,1,0,0,0|0,0,1]=3 169 B9R0.7 C(CC(=O)O)[C@@H](C(=O)[O-])N A17232 [0,1,1,0,0,0|0,0,1]=3 170 B9R0.7 C(CC(=O)O)[C@H](C(=O)O)N A14191 [0,1,1,0,0,0|0,0,0]=2 171 B9R0.7 CC(CCC(=O)O)C(=O)O A11823 [0,1,1,0,0,0|1,0,0]=3 172 B9R0.7 CS(=O)CCC(C(=O)O)N A18081 [0,1,1,0,0,0|1,0,0]=3 173 B9R0.8 CCCC[C@@H](C(=O)OC)N H65873 [0,1,1,0,0,0|1,0,1]=4 174 B9R0.8 COC(=O)[C@@H](CCSC)N H63422 [0,1,1,0,0,0|2,0,0]=4 175 B9R0.8 COC(=O)[C@H](CCCN)N H63225 [0,1,1,0,0,0|1,0,1]=4 176 B9R0.8 COC(=O)[C@H](CCSC)N A15952 [0,1,1,0,0,0|2,0,0]=4 177 B9R0.47 C(CCN)CC(C(=O)O)N A11066 [0,1,1,0,0,0|1,0,1]=4 178 B9R0.47 C(CCN)CC(C(=O)O)N L07576 [0,1,1,0,0,0|1,0,1]=4 179 B9R0.47 C(CCN)C[C@@H](C(=O)O)N A13040 [0,1,1,0,0,0|1,0,1]=4 180 B9R0.47 C(CCN)C[C@@H](C(=O)O)N A16127 [0,1,1,0,0,0|1,0,1]=4 181 B9R0.47 C(CCN)C[C@@H](C(=O)O)N A16249 [0,1,1,0,0,0|1,0,1]=4 182 B9R0.47 C(CCN)C[C@H](C(=O)O)N L07710 [0,1,1,0,0,0|1,0,1]=4 183 B9R0.47 CCSCCC(C(=O)O)N A13154 [0,1,1,0,0,0|1,0,1]=4 184 B9R0.23 COC(=O)[C@@H](CC(=O)O)N H63658 [0,1,1,0,0,0|2,0,0]=4 185 B9R0.23 COC(=O)[C@H](CC(=O)O)N H63221 [0,1,1,0,0,0|2,0,0]=4 186 B9R0.24 COC(=O)CCC(=O)OC A12565 [0,1,1,0,0,0|2,0,0]=4 187 B9R0.48 CCNC(=O)\C=C/C(=O)O L00645 [0,1,1,0,0,0|1,0,1]=4 188 B9R0.48 CCOC(=O)CCC(=O)C A15001 [0,1,1,0,0,0|2,0,0]=4 189 B9R0.48 CCOC(=O)CCC(=O)C B20149 [0,1,1,0,0,0|2,0,0]=4 190 B9R0.48 CCOC(=O)CCC(=O)O H55116 [0,1,1,0,0,0|1,0,0]=3 191 B9R0.48 CCOC(=O)\C=C\C(=O)O A12545 [0,1,1,0,0,0|1,0,1]=4 192 B9R0.39 CC(=O)NC(CO)C(=O)O H27717 [0,1,1,0,0,0|1,0,0]=3 193 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O A15409 [0,1,1,0,0,0|1,0,0]=3 194 B9R0.39 CCC(CC(=O)Cl)C(=O)Cl A12734 [0,1,1,0,0,0|2,0,0]=4 195 B9R0.11 CC(=O)OC(C)(C)C(=O)Br L11592 [0,1,1,0,0,0|2,0,0]=4 196 B9R0.11 CC(=O)OC(C)(C)C(=O)Cl L00957 [0,1,1,0,0,0|2,0,0]=4 197 B9R0.11 CC(C)(CC(=O)O)C(=O)O B24394 [0,1,1,0,0,0|2,0,0]=4 198 B9R0.1 COC(=O)CCCC(=O)Cl B25141 [0,1,1,0,0,0|1,0,0]=3 199 B9R0.1 COC(=O)CCCC(=O)O L09196 [0,1,1,0,0,0|1,0,0]=3 200 B9R0.53 C(C(=O)CC(=O)O)C(=O)O A13742 [0,1,1,0,0,0|1,0,1]=4 201 B9R0.53 CC(CC(=O)O)CC(=O)O B24737 [0,1,1,0,0,0|1,0,0]=3 202 B9R0.53 CN(CC(=O)O)CC(=O)O L02589 [0,1,1,0,0,0|2,0,0]=4 203 B9R1.11 COC(=O)C1CCC=C1 H66743 [1,1,0,0,0,0|1,0,0]=3 204 B9R1.11 COC(=O)C1CCCC1 L00741 [1,1,0,0,0,0|1,0,1]=4 205 B9R1.11 COC(=O)C1NCCS1 L10740 [1,1,0,0,0,0|1,0,1]=4 206 B9R1.11 COC(=O)[C@@H]1CCCN1 L19290 [1,1,0,0,0,0|0,0,1]=3 207 B9R1.11 COC(=O)[C@H]1CCCN1 L17259 [1,1,0,0,0,0|0,0,1]=3 208 B9R1.41 CN1CCC[C@H]1C(=O)O H63241 [1,1,0,0,0,0|0,0,1]=3 209 B9R1.163 C1CCC(C1)(C(=O)O)N B22179 [1,1,0,0,0,0|1,0,1]=4 210 B9R1.82 COC(=O)C1CC(=O)C1 H62110 [0,1,0,0,1,0|1,0,0]=3 211 B11R1.645 C(C1C(=O)NC(=O)N1)C(=O)O A11731 [0,1,0,0,0,1|1,0,1]=4 212 B11R1.74 C1[C@H](NC(=O)NC1=O)C(=O)O H60429 [0,1,0,0,0,1|0,0,1]=3 213 B11R1.15 CCOC(=O)C1CC(=O)NC1 H66157 [0,2,0,0,0,0|2,0,0]=4 214 B11R1.15 CCOC(=O)[C@@H]1CCC(=O)N1 H56785 [0,2,0,0,0,0|0,0,0]=2 215 B11R1.226 CN1CC(CC1=O)C(=O)OC H63577 [0,2,0,0,0,0|2,0,0]=4 216 B11R1.175 C1C(NC(S1)C(=O)O)C(=O)O H62405 [0,2,0,0,0,0|1,0,1]=4 217 B9R1.6 C1CC(CC=C1)C(=O)O A15229 [0,0,1,1,0,0|2,0,0]=4 218 B9R1.6 C1CCNC(C1)C(=O)O B23541 [0,0,1,1,0,0|1,0,1]=4 219 B9R1.6 C1CCN[C@@H](C1)C(=O)O L15373 [0,0,1,1,0,0|1,0,1]=4 220 B9R1.6 C1CCN[C@H](C1)C(=O)O H63255 [0,0,1,1,0,0|1,0,1]=4 221 B9R2.39 C1C2C=CC1NC2=O H55812 [1,0,0,1,0,0|1,0,0]=3 222 B7R0.16 C(C(=O)O)(C(=O)O)O B21640 [0,0,1,0,1,0|2,0,0]=4 223 B7R0.16 CC(=O)N(C)C(=O)C B20291 [0,0,1,0,1,0|2,0,0]=4 224 B7R0.16 CC(C(=O)C)C(=O)C L01135 [0,0,1,0,1,0|1,0,0]=3 225 B7R0.16 CC(C(=O)Cl)C(=O)Cl 20823 [0,0,1,0,1,0|2,0,0]=4 226 B7R0.16 CC(C(=O)N)C(=O)N L09203 [0,0,1,0,1,0|2,0,0]=4 227 B7R1.18 C1C(CN1)C(=O)O H52294 [1,0,0,0,1,0|1,0,1]=4 228 B7R1.18 C1C(CO1)C(=O)O H57578 [1,0,0,0,1,0|1,0,1]=4 229 B7R1.18 C1CC(C1)C(=O)Cl B20317 [1,0,0,0,1,0|1,0,1]=4 230 B7R1.18 C1CC(C1)C(=O)O A14480 [1,0,0,0,1,0|0,0,1]=3 231 B7R1.18 C1CN[C@@H]1C(=O)O L09668 [1,0,0,0,1,0|0,0,0]=2 232 B7R1.18 CC(=O)C1CCC1 L03521 [1,0,0,0,1,0|1,0,1]=4 233 B7R1.12 CC1CC1C(=O)O H27815 [0,0,0,0,2,0|1,0,1]=4 234 B9R0.55 C(CCC(=O)Cl)CC(=O)Cl A13168 [0,0,1,0,0,1|2,0,0]=4 235 B9R0.55 C(CCC(=O)N)CC(=O)N B24252 [0,0,1,0,0,1|1,0,0]=3 236 B9R0.55 C(CCC(=O)O)CC(=O)O A13705 [0,0,1,0,0,1|1,0,0]=3 237 B9R0.55 CC(=O)CCCCC(=O)O A14810 [0,0,1,0,0,1|1,0,0]=3 238 B9R0.55 CC(=O)NCCCC(=O)O A11039 [0,0,1,0,0,1|1,0,0]=3 239 B9R1.13 C1CC(C=C1)CC(=O)O H27507 [1,0,0,0,0,1|1,0,0]=3 240 B9R1.13 C1CC(NC1)CC(=O)O H31749 [1,0,0,0,0,1|0,0,1]=3 241 B9R1.13 C1CCC(C1)CC(=O)O A15696 [1,0,0,0,0,1|1,0,1]=4 242 B9R1.13 C1C[C@@H](NC1)CC(=O)O H52085 [1,0,0,0,0,1|0,0,1]=3 243 B9R1.13 C1C[C@H](NC1)CC(=O)O H65110 [1,0,0,0,0,1|0,0,1]=3 244 B11R1.20 CC(=O)NC1CCC(=O)CC1 H64511 [0,0,0,0,0,2|2,0,0]=4