0 B9R1.35 CC(=O)N1CC[C@H](N)C1 30699 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.35 CC(=O)N1CC[C@H](O)C1 AB3001 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.35 CC(=O)N1CC[C@H](O)C1 AB3002 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.35 CC(=O)N1CC[C@H](O)C1 AB3003 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.35 CN1CC[C@H](C(=O)O)C1 25139 [0,0,0,0,0,0|3,0,0]=3 5 B9R1.35 CN1CC[C@H](C(=O)O)C1 28355 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.35 CN1CC[C@H](C(=O)O)C1 38444 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.35 NC(=O)[C@@H]1C[C@@H](O)CN1 32602 [0,0,0,0,0,0|1,0,0]=1 8 B9R1.35 NC(=O)[C@@H]1C[C@@H](O)CN1 P11754 [0,0,0,0,0,0|1,0,0]=1 9 B9R1.35 NC(=O)[C@@H]1C[C@H](F)CN1 80487 [0,0,0,0,0,0|2,0,0]=2 10 B9R1.35 NC1CCC(C(=O)O)C1 31351 [0,0,0,0,0,0|2,0,0]=2 11 B9R1.35 NC1CCC(C(=O)O)C1 38978 [0,0,0,0,0,0|2,0,0]=2 12 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 73672 [0,0,0,0,0,0|2,0,0]=2 13 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 F16405 [0,0,0,0,0,0|2,0,0]=2 14 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 61228 [0,0,0,0,0,0|1,0,0]=1 15 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 BL003740 [0,0,0,0,0,0|1,0,0]=1 16 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 62349 [0,0,0,0,0,0|0,0,0]=0 17 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 62350 [0,0,0,0,0,0|0,0,0]=0 18 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 62351 [0,0,0,0,0,0|0,0,0]=0 19 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 P17905 [0,0,0,0,0,0|0,0,0]=0 20 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 28866 [0,0,0,0,0,0|1,0,0]=1 21 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 37923 [0,0,0,0,0,0|1,0,0]=1 22 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 62301 [0,0,0,0,0,0|0,0,0]=0 23 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 62310 [0,0,0,0,0,0|0,0,0]=0 24 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 62487 [0,0,0,0,0,0|0,0,0]=0 25 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 62488 [0,0,0,0,0,0|0,0,0]=0 26 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 36689 [0,0,0,0,0,0|2,0,2]=4 27 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 D77751 [0,0,0,0,0,0|2,0,2]=4 28 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 P17107 [0,0,0,0,0,0|2,0,2]=4 29 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 60501 [0,0,0,0,0,0|2,0,2]=4 30 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 78331 [0,0,0,0,0,0|2,0,2]=4 31 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 86330 [0,0,0,0,0,0|2,0,2]=4 32 B9R1.35 O=C1CC[C@H](C(=O)O)C1 24489 [0,0,0,0,0,0|1,0,2]=3 33 B9R1.35 O=C1CC[C@H](C(=O)O)C1 P12600 [0,0,0,0,0,0|1,0,2]=3 34 B9R1.35 O=C1CC[C@H](C(=O)O)C1 P12601 [0,0,0,0,0,0|1,0,2]=3 35 B9R1.35 O=C1CN[C@H](C(=O)O)C1 D87765 [0,0,0,0,0,0|0,0,2]=2 36 B9R1.35 O=C1C[C@H](C(=O)O)CN1 P10333 [0,0,0,0,0,0|2,0,2]=4 37 B8R1.1 N#C[C@@H]1C[C@H](F)CN1 AC1068 [1,0,0,0,0,0|2,0,1]=4 38 B8R1.1 OC[C@@H]1C[C@H](F)CN1 72275 [1,0,0,0,0,0|1,0,1]=3 39 B8R1.1 OC[C@@H]1C[C@H](O)CN1 P18712 [1,0,0,0,0,0|0,0,1]=2 40 B8R1.1 OC[C@H]1C[C@H](O)CN1 62331 [1,0,0,0,0,0|0,0,1]=2 41 B8R1.1 OC[C@H]1C[C@H](O)CN1 P17328 [1,0,0,0,0,0|0,0,1]=2 42 B8R1.7 CC(=O)C1CCCC1 83754 [1,0,0,0,0,0|2,0,0]=3 43 B8R1.7 CC(=O)N1CCCC1 A12496 [1,0,0,0,0,0|3,0,0]=4 44 B8R1.7 CC(C)[C@@H]1CCCN1 AR1076 [1,0,0,0,0,0|2,0,1]=4 45 B8R1.7 C[C@H](O)C1CCCC1 W16248 [1,0,0,0,0,0|2,0,1]=4 46 B8R1.7 NC(=O)C1CCCC1 20928 [1,0,0,0,0,0|2,0,0]=3 47 B8R1.7 NC(=O)[C@@H]1CCCN1 59577 [1,0,0,0,0,0|1,0,0]=2 48 B8R1.7 NC(=O)[C@@H]1CCCN1 59579 [1,0,0,0,0,0|1,0,0]=2 49 B8R1.7 NC(=O)[C@@H]1CCCN1 59581 [1,0,0,0,0,0|1,0,0]=2 50 B8R1.7 NC(=O)[C@@H]1CCCN1 AC8100 [1,0,0,0,0,0|1,0,0]=2 51 B8R1.7 NC(=O)[C@@H]1CCCN1 F10562 [1,0,0,0,0,0|1,0,0]=2 52 B8R1.7 NC(=O)[C@@H]1CCCN1 P10052 [1,0,0,0,0,0|1,0,0]=2 53 B8R1.7 NC(=O)[C@@H]1CCCO1 30997 [1,0,0,0,0,0|2,0,0]=3 54 B8R1.7 NC(=O)[C@H]1CCNC1 37189 [1,0,0,0,0,0|3,0,0]=4 55 B8R1.7 NC(=O)[C@H]1CCNC1 83250 [1,0,0,0,0,0|3,0,0]=4 56 B8R1.7 O=C(Cl)C1CCCC1 D89509 [1,0,0,0,0,0|2,0,0]=3 57 B8R1.7 O=C(O)C1=CCCC1 C10074 [1,0,0,0,0,0|1,0,1]=3 58 B8R1.7 O=C(O)C1=COCC1 60301 [1,0,0,0,0,0|2,0,1]=4 59 B8R1.7 O=C(O)C1CC=CC1 68357 [1,0,0,0,0,0|1,0,2]=4 60 B8R1.7 O=C(O)C1CCCC1 34069 [1,0,0,0,0,0|1,0,0]=2 61 B8R1.7 O=C(O)[C@@H]1C=CCN1 60104 [1,0,0,0,0,0|0,0,2]=3 62 B8R1.7 O=C(O)[C@@H]1C=CCN1 60105 [1,0,0,0,0,0|0,0,2]=3 63 B8R1.7 O=C(O)[C@@H]1CCCN1 30759 [1,0,0,0,0,0|0,0,0]=1 64 B8R1.7 O=C(O)[C@@H]1CCCN1 69586 [1,0,0,0,0,0|0,0,0]=1 65 B8R1.7 O=C(O)[C@@H]1CCCN1 P17692 [1,0,0,0,0,0|0,0,0]=1 66 B8R1.7 O=C(O)[C@@H]1CCCO1 30805 [1,0,0,0,0,0|1,0,0]=2 67 B8R1.7 O=C(O)[C@@H]1CCCO1 66521 [1,0,0,0,0,0|1,0,0]=2 68 B8R1.7 O=C(O)[C@@H]1CCCO1 74188 [1,0,0,0,0,0|1,0,0]=2 69 B8R1.7 O=C(O)[C@@H]1CCCS1 72166 [1,0,0,0,0,0|1,0,0]=2 70 B8R1.7 O=C(O)[C@@H]1CSCN1 26064 [1,0,0,0,0,0|1,0,0]=2 71 B8R1.7 O=C(O)[C@@H]1CSCN1 D97373 [1,0,0,0,0,0|1,0,0]=2 72 B8R1.7 O=C(O)[C@@H]1CSCN1 O10231 [1,0,0,0,0,0|1,0,0]=2 73 B8R1.7 O=C(O)[C@H]1CCNC1 27256 [1,0,0,0,0,0|2,0,0]=3 74 B8R1.7 O=C(O)[C@H]1CCNC1 65300 [1,0,0,0,0,0|2,0,0]=3 75 B8R1.7 O=C(O)[C@H]1CCNC1 65301 [1,0,0,0,0,0|2,0,0]=3 76 B8R1.7 O=C(O)[C@H]1CCNC1 65434 [1,0,0,0,0,0|2,0,0]=3 77 B8R1.7 O=C(O)[C@H]1CCOC1 66518 [1,0,0,0,0,0|2,0,0]=3 78 B8R1.7 O=C(O)[C@H]1NCCS1 F10465 [1,0,0,0,0,0|1,0,0]=2 79 B8R1.7 OB(O)C1CCCC1 32725 [1,0,0,0,0,0|2,0,1]=4 80 B10R1.14 COC(=O)C1CCC(N)C1 31701 [0,1,0,0,0,0|2,0,0]=3 81 B10R1.14 COC(=O)[C@@H]1CC[C@H](N)C1 P15683 [0,1,0,0,0,0|2,0,0]=3 82 B10R1.14 COC(=O)[C@@H]1C[C@@H](O)CN1 21005 [0,1,0,0,0,0|0,0,0]=1 83 B10R1.14 COC(=O)[C@@H]1C[C@@H](O)CN1 28347 [0,1,0,0,0,0|0,0,0]=1 84 B10R1.14 COC(=O)[C@@H]1C[C@H](O)CN1 23840 [0,1,0,0,0,0|0,0,0]=1 85 B10R1.14 COC(=O)[C@@H]1C[C@H](O)CN1 62580 [0,1,0,0,0,0|0,0,0]=1 86 B10R1.14 COC(=O)[C@H]1CCC(=O)C1 80143 [0,1,0,0,0,0|1,0,2]=4 87 B10R1.359 NC(=O)[C@@H]1CC(F)(F)CN1 29483 [0,1,0,0,0,0|2,0,0]=3 88 B10R1.359 O=C(O)[C@@H]1CC(F)(F)CN1 P10977 [0,1,0,0,0,0|1,0,0]=2 89 B10R1.359 O=C(O)[C@H]1CCC(F)(F)C1 80098 [0,1,0,0,0,0|2,0,0]=3 90 B10R1.359 O=C(O)[C@H]1CCS(=O)(=O)C1 F12823 [0,1,0,0,0,0|2,0,1]=4 91 B10R1.470 CN1CC[C@](C)(C(=O)O)C1 78872 [0,1,0,0,0,0|3,0,0]=4 92 B8R0.8 CCCC[C@H](Br)C(=O)O H11951 [0,0,1,0,0,0|3,0,0]=4 93 B8R0.8 CCCC[C@H](C)C(=O)O D91409 [0,0,1,0,0,0|2,0,0]=3 94 B8R0.8 CCCC[C@H](N)C(=O)O 73275 [0,0,1,0,0,0|3,0,0]=4 95 B8R0.8 CCCC[C@H](N)C(=O)O FD3031 [0,0,1,0,0,0|3,0,0]=4 96 B8R0.8 CCCC[C@H](N)C(=O)O FD3085 [0,0,1,0,0,0|3,0,0]=4 97 B8R0.8 NCCC[C@H](N)C(=O)O 28202 [0,0,1,0,0,0|3,0,0]=4 98 B8R0.8 NCCC[C@H](N)C(=O)O 28697 [0,0,1,0,0,0|3,0,0]=4 99 B8R0.8 NCCC[C@H](N)C(=O)O AC1496 [0,0,1,0,0,0|3,0,0]=4 100 B8R0.8 NCCC[C@H](N)C(=O)O D70545 [0,0,1,0,0,0|3,0,0]=4 101 B8R0.8 NCCC[C@H](N)C(=O)O D91796 [0,0,1,0,0,0|3,0,0]=4 102 B8R0.8 NCCC[C@H](N)C(=O)O F17224 [0,0,1,0,0,0|3,0,0]=4 103 B8R0.9 CC(=O)OC[C@H](O)CCl CS1164 [0,0,1,0,0,0|3,0,0]=4 104 B8R0.9 CCC(=O)CCC(=O)O D93322 [0,0,1,0,0,0|1,0,2]=4 105 B8R0.9 NCC(=O)CCC(=O)O 22878 [0,0,1,0,0,0|0,0,2]=3 106 B8R0.9 NCC(=O)NCC(=O)O F17229 [0,0,1,0,0,0|1,0,2]=4 107 B8R0.9 NNC(=O)CCC(=O)O D92947 [0,0,1,0,0,0|1,0,2]=4 108 B8R0.23 C=C(Br)C[C@H](N)C(=O)O D97319 [0,0,1,0,0,0|1,0,2]=4 109 B8R0.23 CC(=O)C[C@H](C)C(=O)O P10084 [0,0,1,0,0,0|1,0,2]=4 110 B8R0.23 CC(C)CC(=O)C(=O)O D82408 [0,0,1,0,0,0|2,0,1]=4 111 B8R0.23 CC(C)C[C@H](Br)C(=O)O 36197 [0,0,1,0,0,0|2,0,0]=3 112 B8R0.23 CC(C)C[C@H](Br)C(=O)O C74469 [0,0,1,0,0,0|2,0,0]=3 113 B8R0.23 CC(C)C[C@H](N)C(=O)O 29890 [0,0,1,0,0,0|1,0,0]=2 114 B8R0.23 CC(C)C[C@H](N)C(=O)O AC7886 [0,0,1,0,0,0|1,0,0]=2 115 B8R0.23 CC(C)C[C@H](N)C(N)=O 20044 [0,0,1,0,0,0|2,0,0]=3 116 B8R0.23 CC(C)C[C@H](N)C(N)=O FD21869 [0,0,1,0,0,0|2,0,0]=3 117 B8R0.23 CC(C)C[C@H](N)C(N)=O FD21910 [0,0,1,0,0,0|2,0,0]=3 118 B8R0.23 CC(C)C[C@H](N)C(N)=O FD3059 [0,0,1,0,0,0|2,0,0]=3 119 B8R0.23 CC(C)C[C@H](O)C(=O)O D87748 [0,0,1,0,0,0|2,0,0]=3 120 B8R0.23 CC(C)C[C@H](O)C(=O)O F14883 [0,0,1,0,0,0|2,0,0]=3 121 B8R0.23 CC(C)C[C@H](O)C(=O)O S10037 [0,0,1,0,0,0|2,0,0]=3 122 B8R0.23 CS(=O)C[C@H](N)C(=O)O D87103 [0,0,1,0,0,0|1,0,1]=3 123 B8R0.23 C[C@@H](CC(=O)O)C(=O)O 65400 [0,0,1,0,0,0|2,0,1]=4 124 B8R0.23 C[C@@H](CC(=O)O)C(=O)O 65402 [0,0,1,0,0,0|2,0,1]=4 125 B8R0.23 C[C@@H](CC(=O)O)C(=O)O H11814 [0,0,1,0,0,0|2,0,1]=4 126 B8R0.23 NC(=O)C[C@H](N)C(=O)O 20146 [0,0,1,0,0,0|1,0,2]=4 127 B8R0.23 NC(=O)C[C@H](N)C(=O)O 68743 [0,0,1,0,0,0|1,0,2]=4 128 B8R0.23 NC(=O)C[C@H](N)C(=O)O D70834 [0,0,1,0,0,0|1,0,2]=4 129 B8R0.23 NC(=O)C[C@H](N)C(=O)O F10838 [0,0,1,0,0,0|1,0,2]=4 130 B8R0.23 NC(=O)C[C@H](N)C(=O)O FD20027 [0,0,1,0,0,0|1,0,2]=4 131 B8R0.23 N[C@@H](CC(=O)O)C(=O)O 26084 [0,0,1,0,0,0|1,0,1]=3 132 B8R0.23 N[C@@H](CC(=O)O)C(=O)O D70832 [0,0,1,0,0,0|1,0,1]=3 133 B8R0.23 N[C@@H](CC(=O)O)C(=O)O D77793 [0,0,1,0,0,0|1,0,1]=3 134 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] D97789 [0,0,1,0,0,0|1,0,2]=4 135 B8R0.23 O=C(O)C[C@H](Br)C(=O)O 67225 [0,0,1,0,0,0|2,0,1]=4 136 B8R0.23 O=C(O)C[C@H](O)C(=O)O 29313 [0,0,1,0,0,0|2,0,1]=4 137 B8R0.23 O=C(O)C[C@H](O)C(=O)O 68744 [0,0,1,0,0,0|2,0,1]=4 138 B8R0.23 O=C(O)C[C@H](S)C(=O)O D70319 [0,0,1,0,0,0|2,0,1]=4 139 B8R0.28 CC(=O)CCCC(=O)O TD8115 [0,0,1,0,0,0|1,0,2]=4 140 B8R0.28 CC(=O)CCCC(C)C D81757 [0,0,1,0,0,0|3,0,0]=4 141 B8R0.28 CC(C)COCC(=O)O D79193 [0,0,1,0,0,0|2,0,0]=3 142 B8R0.28 CC(O)COCC(C)O D78446 [0,0,1,0,0,0|2,0,1]=4 143 B8R0.28 CN(C)CCCC(=O)O F14882 [0,0,1,0,0,0|3,0,0]=4 144 B8R0.28 O=C(O)CCCC(=O)O D70283 [0,0,1,0,0,0|2,0,1]=4 145 B8R0.28 O=C(O)COCC(=O)O 73725 [0,0,1,0,0,0|2,0,1]=4 146 B8R0.28 O=C(O)CSCC(=O)O AT13116 [0,0,1,0,0,0|2,0,1]=4 147 B8R1.23 C=C1CC(C(=O)O)C1 66669 [0,0,0,0,1,0|1,0,1]=3 148 B8R1.23 CC(=O)N1CC(N)C1 38350 [0,0,0,0,1,0|3,0,0]=4 149 B8R1.23 CC(=O)N1CC(O)C1 AB7308 [0,0,0,0,1,0|2,0,0]=3 150 B8R1.23 CC1CC(C(=O)O)C1 84166 [0,0,0,0,1,0|1,0,0]=2 151 B8R1.23 CN1CC(C(=O)O)C1 26233 [0,0,0,0,1,0|2,0,0]=3 152 B8R1.23 O=C(O)C1CC(Cl)C1 P10434 [0,0,0,0,1,0|1,0,0]=2 153 B8R1.23 O=C(O)C1CC(O)C1 25649 [0,0,0,0,1,0|0,0,0]=1 154 B8R1.23 O=C(O)[C@H]1C[C@@H](O)C1 38898 [0,0,0,0,1,0|0,0,0]=1 155 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 P12186 [0,0,0,0,1,0|0,0,0]=1 156 B8R1.23 O=C1CC(C(=O)O)C1 64806 [0,0,0,0,1,0|0,0,2]=3 157 B8R1.23 O=C1C[C@@H](C(=O)O)N1 31388 [0,0,0,0,1,0|0,0,2]=3 158 B10R1.13 CC(=O)N1CCC(O)CC1 AB7343 [0,0,0,0,0,1|3,0,0]=4 159 B10R1.13 CC1CCC(C(=O)O)CC1 S12052 [0,0,0,0,0,1|2,0,0]=3 160 B10R1.13 CN1CCC(C(=O)O)CC1 64217 [0,0,0,0,0,1|3,0,0]=4 161 B10R1.13 CN1CCC(C(=O)O)CC1 AB1543 [0,0,0,0,0,1|3,0,0]=4 162 B10R1.13 C[C@H]1CC[C@H](C(=O)O)CC1 71079 [0,0,0,0,0,1|2,0,0]=3 163 B10R1.13 NC1CCC(C(=O)O)CC1 20592 [0,0,0,0,0,1|2,0,0]=3 164 B10R1.13 N[C@H]1CC[C@@H](C(=O)O)CC1 51515 [0,0,0,0,0,1|2,0,0]=3 165 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 51510 [0,0,0,0,0,1|2,0,0]=3 166 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 51511 [0,0,0,0,0,1|2,0,0]=3 167 B10R1.13 O=C(O)C1CCC(O)CC1 85341 [0,0,0,0,0,1|1,0,0]=2 168 B10R1.13 O=C(O)[C@H]1CC[C@@H](O)CC1 P10288 [0,0,0,0,0,1|1,0,0]=2 169 B10R1.13 O=C(O)[C@H]1CC[C@H](O)CC1 P10217 [0,0,0,0,0,1|1,0,0]=2 170 B10R1.13 O=C1CCC(C(=O)O)CC1 50103 [0,0,0,0,0,1|1,0,2]=4 171 B10R1.13 O=C1CC[C@H](C(=O)O)CN1 37581 [0,0,0,0,0,1|1,0,2]=4 172 B10R1.54 CC(=O)O[C@@H]1C=C[C@H](O)C1 62220 [0,0,0,0,0,1|2,0,1]=4 173 B10R1.113 CC1CCCC(C(=O)O)N1 D81681 [0,0,0,0,0,1|3,0,0]=4 174 B10R1.113 CN1CCC[C@H](C(=O)O)C1 29837 [0,0,0,0,0,1|3,0,0]=4 175 B10R1.113 CN1CCC[C@H](C(=O)O)C1 AB1542 [0,0,0,0,0,1|3,0,0]=4 176 B10R1.113 NC(=O)C1CCCC(N)C1 D95138 [0,0,0,0,0,1|3,0,0]=4 177 B10R1.113 NC1CCCC(C(=O)O)C1 O10942 [0,0,0,0,0,1|2,0,0]=3 178 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 P11018 [0,0,0,0,0,1|2,0,0]=3 179 B10R1.113 O=C(O)C1CNCC(O)C1 30497 [0,0,0,0,0,1|0,0,0]=1 180 B10R1.113 O=C(O)C1CNCC(O)C1 69575 [0,0,0,0,0,1|0,0,0]=1 181 B10R1.113 O=C1C[C@@H](C(=O)O)CCN1 26238 [0,0,0,0,0,1|1,0,2]=4 182 B7R0.3 OCCC[C@H](O)CO T71793 [1,0,1,0,0,0|1,0,1]=4 183 B7R0.4 C#CCCCC(=O)O F14123 [1,0,1,0,0,0|1,0,1]=4 184 B7R0.4 C=CCCCC(=O)O D86337 [1,0,1,0,0,0|1,0,1]=4 185 B7R0.4 C=CCNCC(=O)O 54025 [1,0,1,0,0,0|0,0,2]=4 186 B7R0.4 CC(=O)CCCCCl D89394 [1,0,1,0,0,0|2,0,0]=4 187 B7R0.4 CCCCCC(=O)[O-] D82015 [1,0,1,0,0,0|1,0,1]=4 188 B7R0.4 CCCCCC(N)=O D89187 [1,0,1,0,0,0|2,0,0]=4 189 B7R0.4 CCC\C=C\C(=O)O C10700 [1,0,1,0,0,0|1,0,1]=4 190 B7R0.4 CC\C=C\CC(=O)O D82088 [1,0,1,0,0,0|1,0,1]=4 191 B7R0.4 CNCCCC(=O)O 20515 [1,0,1,0,0,0|2,0,0]=4 192 B7R0.4 CNCCCC(=O)O AB7427 [1,0,1,0,0,0|2,0,0]=4 193 B7R0.4 C[C@H](O)CNCCN D90833 [1,0,1,0,0,0|1,0,1]=4 194 B7R0.4 C[C@H](O)CNCCO C13406 [1,0,1,0,0,0|0,0,1]=3 195 B7R0.4 N#CCCCC(=O)O RB3314 [1,0,1,0,0,0|0,0,2]=4 196 B7R0.4 NCCCCC(=O)O 76219 [1,0,1,0,0,0|0,0,0]=2 197 B7R0.4 NCCCCC(=O)O D78140 [1,0,1,0,0,0|0,0,0]=2 198 B7R0.4 NCCOCC(=O)O AT23391 [1,0,1,0,0,0|1,0,0]=3 199 B7R0.4 O=C(Cl)CCCCBr H11319 [1,0,1,0,0,0|2,0,0]=4 200 B7R0.4 O=C(Cl)CCCCCl D89459 [1,0,1,0,0,0|2,0,0]=4 201 B7R0.4 O=C(O)CCCCBr 76255 [1,0,1,0,0,0|1,0,0]=3 202 B7R0.4 O=C(O)CCCCCl C10667 [1,0,1,0,0,0|1,0,0]=3 203 B7R0.4 O=C(O)CNCCO AB10154 [1,0,1,0,0,0|0,0,0]=2 204 B7R0.4 O=C(O)COCCCl 29961 [1,0,1,0,0,0|2,0,0]=4 205 B7R0.4 O=C([O-])CCCCO F13839 [1,0,1,0,0,0|1,0,1]=4 206 B7R0.5 C#CC[C@H](N)C(=O)O 23587 [1,0,1,0,0,0|0,0,2]=4 207 B7R0.5 C#CC[C@H](N)C(=O)O A50291 [1,0,1,0,0,0|0,0,2]=4 208 B7R0.5 C#CC[C@H](N)C(=O)O O10166 [1,0,1,0,0,0|0,0,2]=4 209 B7R0.5 C#CC[C@H](N)C(=O)O S10337 [1,0,1,0,0,0|0,0,2]=4 210 B7R0.5 C=CC[C@H](C)C(=O)O P20511 [1,0,1,0,0,0|1,0,1]=4 211 B7R0.5 C=CC[C@H](N)C(=O)O 67600 [1,0,1,0,0,0|0,0,2]=4 212 B7R0.5 C=CC[C@H](N)C(=O)O H10160 [1,0,1,0,0,0|0,0,2]=4 213 B7R0.5 C=CC[C@H](N)C(=O)O O10661 [1,0,1,0,0,0|0,0,2]=4 214 B7R0.5 C=CC[C@H](N)C(=O)O T70065 [1,0,1,0,0,0|0,0,2]=4 215 B7R0.5 CCC[C@H](C)C(=O)O D78086 [1,0,1,0,0,0|1,0,0]=3 216 B7R0.5 CCC[C@H](N)C(=O)O 27282 [1,0,1,0,0,0|0,0,0]=2 217 B7R0.5 CCC[C@H](N)C(=O)O 73286 [1,0,1,0,0,0|0,0,0]=2 218 B7R0.5 CCC[C@H](N)C(=O)O D70899 [1,0,1,0,0,0|0,0,0]=2 219 B7R0.5 CC\C=C(/C)C(=O)O D78175 [1,0,1,0,0,0|1,0,1]=4 220 B7R0.5 COC[C@H](N)C(=O)O 23000 [1,0,1,0,0,0|1,0,0]=3 221 B7R0.5 COC[C@H](N)C(=O)O 23621 [1,0,1,0,0,0|1,0,0]=3 222 B7R0.5 COC[C@H](N)C(=O)O 25149 [1,0,1,0,0,0|1,0,0]=3 223 B7R0.5 COC[C@H](N)C(=O)O 52228 [1,0,1,0,0,0|1,0,0]=3 224 B7R0.5 COC[C@H](N)C(=O)O F10843 [1,0,1,0,0,0|1,0,0]=3 225 B7R0.5 CSC[C@H](N)C(=O)O FD21238 [1,0,1,0,0,0|1,0,0]=3 226 B7R0.5 C[C@H](NC=O)C(=O)O T72666 [1,0,1,0,0,0|0,0,2]=4 227 B7R0.5 NCC[C@H](N)C(=O)O 71083 [1,0,1,0,0,0|1,0,0]=3 228 B7R0.5 NCC[C@H](N)C(=O)O FD1067 [1,0,1,0,0,0|1,0,0]=3 229 B7R0.5 NCC[C@H](N)C(=O)O FD1073 [1,0,1,0,0,0|1,0,0]=3 230 B7R0.5 NCC[C@H](O)C(=O)O 28622 [1,0,1,0,0,0|2,0,0]=4 231 B7R0.5 NCC[C@H](O)C(=O)O O11154 [1,0,1,0,0,0|2,0,0]=4 232 B7R0.5 N[C@@H](CCBr)C(=O)O FD1268 [1,0,1,0,0,0|1,0,0]=3 233 B7R0.5 N[C@@H](CCO)C(=O)O 27335 [1,0,1,0,0,0|0,0,0]=2 234 B7R0.5 N[C@@H](CCO)C(=O)O FD1121 [1,0,1,0,0,0|0,0,0]=2 235 B7R0.5 N[C@@H](CCO)C(=O)O FD1124 [1,0,1,0,0,0|0,0,0]=2 236 B7R0.6 C=C(C)CCC(=O)O 80208 [1,0,1,0,0,0|1,0,1]=4 237 B7R0.6 CC(=O)CCC(=O)O D70802 [1,0,1,0,0,0|0,0,2]=4 238 B7R0.6 CC(C)CCC(=O)O 28835 [1,0,1,0,0,0|1,0,0]=3 239 B7R0.6 CC(O)CCC(C)O F17534 [1,0,1,0,0,0|1,0,1]=4 240 B7R0.6 CN(C)CCC(=O)O 30383 [1,0,1,0,0,0|2,0,0]=4 241 B7R0.6 CN(C)CCC(=O)O 35949 [1,0,1,0,0,0|2,0,0]=4 242 B7R0.6 C[C@H](O)CC[C@H](C)O T71918 [1,0,1,0,0,0|1,0,1]=4 243 B7R0.6 C[S+](C)CCC(=O)O 74954 [1,0,1,0,0,0|2,0,0]=4 244 B7R0.6 O=C(O)CCC(=O)O AB7710 [1,0,1,0,0,0|1,0,1]=4 245 B7R0.6 O=C(O)CCC(=O)O D80729 [1,0,1,0,0,0|1,0,1]=4 246 B7R0.15 CCC(CC)C(=O)[O-] RB3137 [1,0,1,0,0,0|1,0,1]=4 247 B7R0.15 CCC(CC)C(C)=O N12324 [1,0,1,0,0,0|2,0,0]=4 248 B7R0.15 CN[C@@H](CO)C(=O)O D97539 [1,0,1,0,0,0|0,0,0]=2 249 B7R0.2 CC(C)C[C@H](N)CO 34445 [1,0,1,0,0,0|1,0,1]=4 250 B7R0.2 CC(C)C[C@H](N)CO 39403 [1,0,1,0,0,0|1,0,1]=4 251 B7R0.2 CC(C)C[C@H](N)CO A10467 [1,0,1,0,0,0|1,0,1]=4 252 B7R1.1 N#C[C@@H]1CCCN1 37677 [2,0,0,0,0,0|1,0,1]=4 253 B7R1.1 N#C[C@@H]1CCCN1 37679 [2,0,0,0,0,0|1,0,1]=4 254 B7R1.1 NC[C@H]1CCCN1 36336 [2,0,0,0,0,0|1,0,1]=4 255 B7R1.1 NC[C@H]1CCCN1 38156 [2,0,0,0,0,0|1,0,1]=4 256 B7R1.1 O=CC1CCCC1 H11353 [2,0,0,0,0,0|1,0,0]=3 257 B7R1.1 O=CN1CCCC1 D83491 [2,0,0,0,0,0|2,0,0]=4 258 B7R1.1 O=C[C@H]1CCOC1 I10170 [2,0,0,0,0,0|2,0,0]=4 259 B7R1.1 OCC1CCCC1 23321 [2,0,0,0,0,0|1,0,1]=4 260 B7R1.1 OC[C@H]1CCCN1 11146 [2,0,0,0,0,0|0,0,1]=3 261 B7R1.1 OC[C@H]1CCCN1 11148 [2,0,0,0,0,0|0,0,1]=3 262 B7R1.1 OC[C@H]1CCCN1 F10903 [2,0,0,0,0,0|0,0,1]=3 263 B7R1.1 OC[C@H]1CCCO1 D77646 [2,0,0,0,0,0|1,0,1]=4 264 B7R1.1 OC[C@H]1CCCO1 W18447 [2,0,0,0,0,0|1,0,1]=4 265 B7R1.2 C[C@@H]1CNC(=O)C1 P10078 [2,0,0,0,0,0|1,0,1]=4 266 B7R1.2 N[C@@H]1CNC(=O)C1 38799 [2,0,0,0,0,0|1,0,1]=4 267 B7R1.2 N[C@@H]1CNC(=O)C1 SC5061 [2,0,0,0,0,0|1,0,1]=4 268 B7R1.2 O=C1C[C@H](O)CN1 26280 [2,0,0,0,0,0|0,0,1]=3 269 B7R1.2 O=C1C[C@H](O)CN1 62393 [2,0,0,0,0,0|0,0,1]=3 270 B7R1.2 O=C1C[C@H](O)CN1 62394 [2,0,0,0,0,0|0,0,1]=3 271 B7R1.2 O=C1C[C@H](O)CO1 H11711 [2,0,0,0,0,0|1,0,1]=4 272 B7R1.2 OC1CCC(O)C1 P10003 [2,0,0,0,0,0|1,0,0]=3 273 B9R0.7 C[C@@H](CCC(=O)O)C(=O)O T71598 [0,1,1,0,0,0|1,0,1]=4 274 B9R0.42 C[C@H](NC(=O)CN)C(=O)O D90712 [0,1,1,0,0,0|1,0,1]=4 275 B9R0.47 CCCCC[C@H](C)C(=O)O D91473 [0,1,1,0,0,0|2,0,0]=4 276 B9R0.51 CCCCC(C)(C)C(=O)O T71346 [0,1,1,0,0,0|2,0,0]=4 277 B9R0.24 COC(=O)CCC(=O)CN A11122 [0,1,1,0,0,0|0,0,2]=4 278 B9R0.15 CCCC(CCC)C(=O)O 28955 [0,1,1,0,0,0|2,0,0]=4 279 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O AC2467 [0,1,1,0,0,0|0,0,1]=3 280 B9R0.39 CN[C@@H](CC(C)C)C(=O)O 32589 [0,1,1,0,0,0|1,0,0]=3 281 B9R0.39 CN[C@@H](CC(C)C)C(=O)O F11181 [0,1,1,0,0,0|1,0,0]=3 282 B9R0.39 CN[C@@H](CC(C)C)C(=O)O FD21865 [0,1,1,0,0,0|1,0,0]=3 283 B9R0.57 CC(C)(C)C[C@H](N)C(=O)O 51153 [0,1,1,0,0,0|1,0,0]=3 284 B9R0.57 CC(C)(C)C[C@H](N)C(=O)O 51154 [0,1,1,0,0,0|1,0,0]=3 285 B9R0.57 N[C@@H](CS(=O)(=O)O)C(=O)O D81957 [0,1,1,0,0,0|2,0,0]=4 286 B9R0.79 CC(C(=O)O)C(N)C(=O)O D83126 [0,1,1,0,0,0|1,0,1]=4 287 B9R0.79 CC(O)[C@H](C)[C@H](N)C(=O)O D97437 [0,1,1,0,0,0|0,0,0]=2 288 B9R0.53 CC(C)C[C@H](N)CC(=O)O 52004 [0,1,1,0,0,0|2,0,0]=4 289 B9R0.53 CC(C)C[C@H](N)CC(=O)O 52005 [0,1,1,0,0,0|2,0,0]=4 290 B9R0.53 CC(C)C[C@H](N)CC(=O)O 52006 [0,1,1,0,0,0|2,0,0]=4 291 B9R0.53 CN(CC(=O)O)CC(=O)O 50927 [0,1,1,0,0,0|1,0,1]=4 292 B9R0.56 O=C(O)CNCP(=O)(O)O H10288 [0,1,1,0,0,0|2,0,0]=4 293 B9R1.132 OC[C@H]1OC[C@H](O)[C@H]1O D70723 [1,1,0,0,0,0|1,0,1]=4 294 B9R1.11 COC(=O)C1=CCCC1 23248 [1,1,0,0,0,0|1,0,1]=4 295 B9R1.11 COC(=O)C1CCCC1 71026 [1,1,0,0,0,0|1,0,0]=3 296 B9R1.11 COC(=O)[C@@H]1CCCN1 35748 [1,1,0,0,0,0|0,0,0]=2 297 B9R1.11 COC(=O)[C@@H]1CCCN1 F10761 [1,1,0,0,0,0|0,0,0]=2 298 B9R1.11 COC(=O)[C@@H]1CCCN1 F10972 [1,1,0,0,0,0|0,0,0]=2 299 B9R1.11 COC(=O)[C@@H]1CCCO1 D94760 [1,1,0,0,0,0|1,0,0]=3 300 B9R1.11 COC(=O)[C@H]1CCNC1 30340 [1,1,0,0,0,0|2,0,0]=4 301 B9R1.11 COC(=O)[C@H]1CCNC1 63827 [1,1,0,0,0,0|2,0,0]=4 302 B9R1.11 COC(=O)[C@H]1CCNC1 63831 [1,1,0,0,0,0|2,0,0]=4 303 B9R1.11 COC(=O)[C@H]1CCOC1 37312 [1,1,0,0,0,0|2,0,0]=4 304 B9R1.41 CC1CCCC1C(=O)O 33416 [1,1,0,0,0,0|1,0,0]=3 305 B9R1.41 CN1CCC[C@H]1C(=O)O 28869 [1,1,0,0,0,0|0,0,0]=2 306 B9R1.41 CN1CCC[C@H]1C(=O)O 32214 [1,1,0,0,0,0|0,0,0]=2 307 B9R1.41 CN1CCC[C@H]1C(=O)O 32659 [1,1,0,0,0,0|0,0,0]=2 308 B9R1.41 CN1CCC[C@H]1C(=O)O 35836 [1,1,0,0,0,0|0,0,0]=2 309 B9R1.41 CN1CCC[C@H]1C(=O)O 74862 [1,1,0,0,0,0|0,0,0]=2 310 B9R1.41 CN1CCC[C@H]1C(=O)O 93283 [1,1,0,0,0,0|0,0,0]=2 311 B9R1.41 CN1CCC[C@H]1C(N)=O D83037 [1,1,0,0,0,0|1,0,0]=3 312 B9R1.41 CN1CCC[C@H]1C(N)=O P20756 [1,1,0,0,0,0|1,0,0]=3 313 B9R1.41 NC1CCCC1C(=O)O D94461 [1,1,0,0,0,0|1,0,0]=3 314 B9R1.41 O=C(O)[C@@H]1CCNC1=O P11852 [1,1,0,0,0,0|2,0,0]=4 315 B9R1.163 C[C@@]1(C(=O)O)CCCN1 38428 [1,1,0,0,0,0|0,0,0]=2 316 B9R1.163 C[C@@]1(C(=O)O)CCCN1 85143 [1,1,0,0,0,0|0,0,0]=2 317 B9R1.163 C[C@@]1(C(=O)O)CCCN1 F14122 [1,1,0,0,0,0|0,0,0]=2 318 B9R1.163 C[C@@]1(C(=O)O)CCCN1 S10668 [1,1,0,0,0,0|0,0,0]=2 319 B9R1.163 C[C@@]1(C(=O)O)CCCO1 30852 [1,1,0,0,0,0|1,0,0]=3 320 B9R1.163 NC(=O)C1(N)CCCC1 21133 [1,1,0,0,0,0|2,0,0]=4 321 B9R1.163 NC(=O)C1(N)CCCC1 F10420 [1,1,0,0,0,0|2,0,0]=4 322 B9R1.163 NC1(C(=O)O)CCCC1 FD1031 [1,1,0,0,0,0|1,0,0]=3 323 B9R1.163 O=C(O)C1(O)CCCC1 RB3239 [1,1,0,0,0,0|1,0,0]=3 324 B9R1.82 C=C1CC(C(=O)OC)C1 84767 [0,1,0,0,1,0|1,0,1]=4 325 B9R1.82 COC(=O)C1CC(=O)C1 82646 [0,1,0,0,1,0|0,0,2]=4 326 B9R1.82 COC(=O)C1CC(Cl)C1 38985 [0,1,0,0,1,0|1,0,0]=3 327 B9R1.82 COC(=O)C1CC(I)C1 P19841 [0,1,0,0,1,0|1,0,0]=3 328 B9R1.82 COC(=O)C1CC(O)C1 87718 [0,1,0,0,1,0|0,0,0]=2 329 B9R1.82 COC(=O)[C@H]1C[C@@H](N)C1 FD7143 [0,1,0,0,1,0|1,0,0]=3 330 B9R1.82 COC(=O)[C@H]1C[C@@H](O)C1 38533 [0,1,0,0,1,0|0,0,0]=2 331 B9R1.82 COC(=O)[C@H]1C[C@H](N)C1 37458 [0,1,0,0,1,0|1,0,0]=3 332 B9R1.164 CC1(O)CC(C(=O)O)C1 D79169 [0,1,0,0,1,0|0,0,0]=2 333 B9R1.164 NC(=O)C1CC(F)(F)C1 D84805 [0,1,0,0,1,0|2,0,0]=4 334 B9R1.164 O=C(O)C1CC(F)(F)C1 84107 [0,1,0,0,1,0|1,0,0]=3 335 B11R1.3 CCC1CCC(C(=O)O)CC1 F16511 [0,1,0,0,0,1|2,0,0]=4 336 B11R1.3 CC[C@H]1CC[C@H](C(=O)O)CC1 F16564 [0,1,0,0,0,1|2,0,0]=4 337 B11R1.3 COC1CCC(C(=O)O)CC1 P10061 [0,1,0,0,0,1|1,0,0]=3 338 B11R1.3 NC[C@H]1CC[C@H](C(=O)O)CC1 P15619 [0,1,0,0,0,1|2,0,0]=4 339 B11R1.3 O=C(O)[C@H]1CC[C@H](CO)CC1 P10923 [0,1,0,0,0,1|1,0,0]=3 340 B11R1.22 COC(=O)C1CCC(N)CC1 AB9597 [0,1,0,0,0,1|2,0,0]=4 341 B11R1.22 COC(=O)C1CCC(O)CC1 24694 [0,1,0,0,0,1|1,0,0]=3 342 B11R1.22 COC(=O)[C@H]1CC[C@@H](O)CC1 37809 [0,1,0,0,0,1|1,0,0]=3 343 B11R1.22 COC(=O)[C@H]1CC[C@H](N)CC1 63486 [0,1,0,0,0,1|2,0,0]=4 344 B11R1.22 COC(=O)[C@H]1CC[C@H](N)CC1 W13338 [0,1,0,0,0,1|2,0,0]=4 345 B11R1.22 COC(=O)[C@H]1CC[C@H](O)CC1 P12760 [0,1,0,0,0,1|1,0,0]=3 346 B11R1.727 O=C(O)C1CCC(F)(F)CC1 83101 [0,1,0,0,0,1|2,0,0]=4 347 B11R1.645 O=C(O)CN1C[C@@H](O)CC1=O 49172 [0,1,0,0,0,1|2,0,0]=4 348 B11R1.23 COC(=O)C1CNCC(O)C1 31809 [0,1,0,0,0,1|0,0,0]=2 349 B11R1.167 CN1CCN(C)[C@H](C(=O)O)C1 AB9142 [0,1,0,0,0,1|2,0,0]=4 350 B11R1.15 CCOC(=O)[C@@H]1C[C@@H](F)CN1 37993 [0,2,0,0,0,0|1,0,0]=3 351 B11R1.15 CCOC(=O)[C@@H]1C[C@@H](O)CN1 FD21744 [0,2,0,0,0,0|0,0,0]=2 352 B11R1.44 COC(=O)C1CCC(CBr)C1 P19892 [0,2,0,0,0,0|2,0,0]=4 353 B11R1.225 COC(=O)[C@@H]1C[C@@H](O)CN1C 32501 [0,2,0,0,0,0|0,0,0]=2 354 B11R1.866 COC(=O)[C@@H]1CC(F)(F)CN1 38909 [0,2,0,0,0,0|1,0,0]=3 355 B11R1.866 COC(=O)[C@H]1CCC(F)(F)C1 80104 [0,2,0,0,0,0|2,0,0]=4 356 B11R1.175 O=C(O)C1CCC(C(=O)O)C1 25647 [0,2,0,0,0,0|1,0,0]=3 357 B11R1.175 O=C(O)C1CCC(C(=O)O)O1 D93524 [0,2,0,0,0,0|2,0,0]=4 358 B11R1.175 O=C(O)C1CSC(C(=O)O)N1 W17240 [0,2,0,0,0,0|2,0,0]=4 359 B11R1.175 O=C(O)[C@H]1CC[C@@H](C(=O)O)C1 33475 [0,2,0,0,0,0|1,0,0]=3 360 B9R1.6 CC(=O)[C@@H]1CCCCN1 W15841 [0,0,1,1,0,0|2,0,0]=4 361 B9R1.6 NC(=O)[C@@H]1CCCCN1 39419 [0,0,1,1,0,0|2,0,0]=4 362 B9R1.6 O=C(O)C1CCCCC1 P17799 [0,0,1,1,0,0|2,0,0]=4 363 B9R1.6 O=C(O)[C@@H]1CCCCN1 24951 [0,0,1,1,0,0|1,0,0]=3 364 B9R1.6 O=C(O)[C@@H]1CCCCN1 39420 [0,0,1,1,0,0|1,0,0]=3 365 B9R1.6 O=C(O)[C@@H]1CCCCN1 65236 [0,0,1,1,0,0|1,0,0]=3 366 B9R1.6 O=C(O)[C@@H]1CCCCN1 69549 [0,0,1,1,0,0|1,0,0]=3 367 B9R1.6 O=C(O)[C@@H]1CCCCN1 69551 [0,0,1,1,0,0|1,0,0]=3 368 B9R1.6 O=C(O)[C@@H]1CCCCN1 78208 [0,0,1,1,0,0|1,0,0]=3 369 B9R1.6 O=C(O)[C@@H]1CCCCO1 29454 [0,0,1,1,0,0|2,0,0]=4 370 B9R1.6 O=C(O)[C@@H]1CNCCN1 65130 [0,0,1,1,0,0|1,0,0]=3 371 B9R1.6 O=C(O)[C@@H]1CNCCN1 65131 [0,0,1,1,0,0|1,0,0]=3 372 B9R1.6 O=C(O)[C@@H]1CNCCN1 65134 [0,0,1,1,0,0|1,0,0]=3 373 B9R1.6 O=C(O)[C@@H]1CNCCN1 65232 [0,0,1,1,0,0|1,0,0]=3 374 B9R1.6 O=C(O)[C@@H]1CNCCO1 29628 [0,0,1,1,0,0|2,0,0]=4 375 B9R1.6 O=C(O)[C@@H]1CNCCO1 50551 [0,0,1,1,0,0|2,0,0]=4 376 B9R1.6 O=C(O)[C@@H]1COCCN1 25382 [0,0,1,1,0,0|0,0,0]=2 377 B9R1.6 O=C(O)[C@@H]1COCCN1 36698 [0,0,1,1,0,0|0,0,0]=2 378 B9R1.6 O=C(O)[C@@H]1COCCN1 63498 [0,0,1,1,0,0|0,0,0]=2 379 B9R1.6 O=C(O)[C@@H]1COCCO1 F16389 [0,0,1,1,0,0|1,0,0]=3 380 B9R1.6 O=C(O)[C@@H]1CSCCN1 66698 [0,0,1,1,0,0|0,1,0]=3 381 B9R1.6 O=C(O)[C@H]1CCCNC1 24456 [0,0,1,1,0,0|2,0,0]=4 382 B9R1.6 O=C(O)[C@H]1CCCNC1 29863 [0,0,1,1,0,0|2,0,0]=4 383 B9R1.6 O=C(O)[C@H]1CCCNC1 64551 [0,0,1,1,0,0|2,0,0]=4 384 B9R1.6 O=C(O)[C@H]1CCCNC1 64552 [0,0,1,1,0,0|2,0,0]=4 385 B9R1.6 O=C(O)[C@H]1CCCNC1 64555 [0,0,1,1,0,0|2,0,0]=4 386 B9R1.6 O=C(O)[C@H]1CCCOC1 85695 [0,0,1,1,0,0|1,0,0]=3 387 B9R2.39 OC1CC2C=CC1C2 FD14040 [1,0,0,1,0,0|2,0,0]=4 388 B11R2.845 O=C(O)C1CC2CCC1C2 C10102 [0,0,0,1,0,1|2,0,0]=4 389 B11R2.914 COC(=O)C1CC2OC2C1 P12781 [0,1,0,1,0,0|1,0,0]=3 390 B7R0.16 CC(C)[C@H](Br)C(=O)O A10761 [0,0,1,0,1,0|2,0,0]=4 391 B7R0.16 CC(C)[C@H](Br)C(=O)O FD1208 [0,0,1,0,1,0|2,0,0]=4 392 B7R0.16 CC(C)[C@H](N)C(=O)O AC7511 [0,0,1,0,1,0|1,0,0]=3 393 B7R0.16 CC(C)[C@H](N)C(N)=O 35750 [0,0,1,0,1,0|2,0,0]=4 394 B7R0.16 CC(C)[C@H](N)C(N)=O F14574 [0,0,1,0,1,0|2,0,0]=4 395 B7R0.16 CC(C)[C@H](O)C(=O)O C10550 [0,0,1,0,1,0|2,0,0]=4 396 B7R0.16 CC(C)[C@H](O)C(=O)O F19720 [0,0,1,0,1,0|2,0,0]=4 397 B7R0.16 CC(C)[C@H](O)C(=O)O S12088 [0,0,1,0,1,0|2,0,0]=4 398 B7R0.16 CC(O)C(N)C(=O)O 39304 [0,0,1,0,1,0|0,0,0]=2 399 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O 73726 [0,0,1,0,1,0|0,0,0]=2 400 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O AC7878 [0,0,1,0,1,0|0,0,0]=2 401 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O D95822 [0,0,1,0,1,0|0,0,0]=2 402 B7R0.16 C[C@@H](O)[C@H](N)C(N)=O AC8031 [0,0,1,0,1,0|1,0,0]=3 403 B7R0.16 C[C@H](O)[C@H](N)C(=O)O 20600 [0,0,1,0,1,0|0,0,0]=2 404 B7R0.16 C[C@H](O)[C@H](N)C(=O)O CX1250 [0,0,1,0,1,0|0,0,0]=2 405 B7R0.16 NC(C(=O)O)C(=O)O F20577 [0,0,1,0,1,0|1,0,1]=4 406 B7R1.10 N#CC1CC(O)C1 P15374 [1,0,0,0,1,0|1,0,1]=4 407 B7R1.10 NC1CC(CO)C1 37213 [1,0,0,0,1,0|1,0,1]=4 408 B7R1.10 NC[C@H]1C[C@@H](O)C1 37658 [1,0,0,0,1,0|1,0,1]=4 409 B7R1.10 OCC1CC(Cl)C1 38986 [1,0,0,0,1,0|1,0,1]=4 410 B7R1.18 CC(=O)C1CCC1 P15299 [1,0,0,0,1,0|1,0,0]=3 411 B7R1.18 C[C@H](O)C1CCC1 24983 [1,0,0,0,1,0|1,0,1]=4 412 B7R1.18 C[C@H](O)C1CCC1 P18048 [1,0,0,0,1,0|1,0,1]=4 413 B7R1.18 N=C(N)C1CCC1 29597 [1,0,0,0,1,0|2,0,0]=4 414 B7R1.18 NC(=O)C1CNC1 27669 [1,0,0,0,1,0|2,0,0]=4 415 B7R1.18 NC(=O)C1CNC1 37074 [1,0,0,0,1,0|2,0,0]=4 416 B7R1.18 O=C(Cl)C1CCC1 D87747 [1,0,0,0,1,0|1,0,0]=3 417 B7R1.18 O=C(O)C1CCC1 59526 [1,0,0,0,1,0|0,0,0]=2 418 B7R1.18 O=C(O)C1CNC1 56245 [1,0,0,0,1,0|1,0,0]=3 419 B7R1.18 O=C(O)C1CNC1 67857 [1,0,0,0,1,0|1,0,0]=3 420 B7R1.18 O=C(O)[C@@H]1CCN1 20950 [1,0,0,0,1,0|0,0,0]=2 421 B7R1.18 O=C(O)[C@@H]1CCN1 20951 [1,0,0,0,1,0|0,0,0]=2 422 B7R1.18 O=C(O)[C@@H]1CCN1 24715 [1,0,0,0,1,0|0,0,0]=2 423 B7R1.18 O=C(O)[C@@H]1CCN1 57406 [1,0,0,0,1,0|0,0,0]=2 424 B7R1.18 O=C(O)[C@@H]1CCN1 66104 [1,0,0,0,1,0|0,0,0]=2 425 B7R1.18 OB(O)C1CCC1 35984 [1,0,0,0,1,0|1,0,1]=4 426 B7R1.12 O=C(O)C1CC1F CS2163 [0,0,0,0,2,0|1,0,0]=3 427 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F CS1221 [0,0,0,0,2,0|1,0,0]=3 428 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F CS1224 [0,0,0,0,2,0|1,0,0]=3 429 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F CS2019 [0,0,0,0,2,0|1,0,0]=3 430 B7R1.12 O=C(O)[C@H]1C[C@@H]1F CS1503 [0,0,0,0,2,0|1,0,0]=3 431 B9R1.13 CC(=O)NC1CCCC1 20635 [1,0,0,0,0,1|2,0,0]=4 432 B9R1.13 O=C(Cl)OC1CCCC1 35687 [1,0,0,0,0,1|2,0,0]=4 433 B9R1.13 O=C(O)CC1CCCC1 70862 [1,0,0,0,0,1|1,0,0]=3 434 B9R1.13 O=C(O)CN1CCCC1 71481 [1,0,0,0,0,1|2,0,0]=4 435 B9R1.13 O=C(O)CN1CCCC1 F21166 [1,0,0,0,0,1|2,0,0]=4 436 B9R1.13 O=C(O)C[C@H]1CCCN1 22918 [1,0,0,0,0,1|0,0,0]=2 437 B9R1.13 O=C(O)C[C@H]1CCCN1 62961 [1,0,0,0,0,1|0,0,0]=2 438 B9R1.13 O=C(O)C[C@H]1CCNC1 37360 [1,0,0,0,0,1|2,0,0]=4 439 B9R1.13 O=C(O)C[C@H]1CCNC1 50101 [1,0,0,0,0,1|2,0,0]=4 440 B9R1.13 O=C(O)C[C@H]1CCNC1 65588 [1,0,0,0,0,1|2,0,0]=4 441 B9R1.13 O=C(O)C[C@H]1CCOC1 25150 [1,0,0,0,0,1|2,0,0]=4 442 B11R1.20 CC(=O)N[C@H]1CC[C@H](O)CC1 D76040 [0,0,0,0,0,2|2,0,0]=4