0 B8R0.9 CCC(=O)CCC(=O)O D93322 [0,0,0,0,0,0|1,0,3]=4 1 B8R0.9 COC(=O)CCC(=O)O 73736 [0,0,0,0,0,0|2,0,2]=4 2 B8R0.9 NCC(=O)CCC(=O)O 22878 [0,0,0,0,0,0|2,0,2]=4 3 B8R0.9 NNC(=O)CCC(=O)O D92947 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.4 C#CCCCC(=O)O F14123 [1,0,0,0,0,0|0,0,2]=3 5 B7R0.4 C=CCCCB(O)O I12040 [1,0,0,0,0,0|1,0,1]=3 6 B7R0.4 C=CCCCC(=O)O D86337 [1,0,0,0,0,0|0,0,0]=1 7 B7R0.4 C=CCCOC(C)=O 74074 [1,0,0,0,0,0|2,0,0]=3 8 B7R0.4 C=CCNCC(=O)O 54025 [1,0,0,0,0,0|1,0,0]=2 9 B7R0.4 CC(=O)CCCC#N D91224 [1,0,0,0,0,0|2,0,1]=4 10 B7R0.4 CC(=O)CCCCCl D89394 [1,0,0,0,0,0|2,0,1]=4 11 B7R0.4 CCCCCC(=O)[O-] D82015 [1,0,0,0,0,0|0,0,3]=4 12 B7R0.4 CCCCCC(N)=O D89187 [1,0,0,0,0,0|1,0,2]=4 13 B7R0.4 CNCCCC(=O)O 20515 [1,0,0,0,0,0|1,0,1]=3 14 B7R0.4 CNCCCC(=O)O AB7427 [1,0,0,0,0,0|1,0,1]=3 15 B7R0.4 N#CCCCC(=O)O RB3314 [1,0,0,0,0,0|1,0,1]=3 16 B7R0.4 NCCCCC(=O)O 76219 [1,0,0,0,0,0|1,0,1]=3 17 B7R0.4 NCCCCC(=O)O D78140 [1,0,0,0,0,0|1,0,1]=3 18 B7R0.4 NCCOCC(=O)O AT23391 [1,0,0,0,0,0|2,0,1]=4 19 B7R0.4 O=C(Cl)CCCCBr H11319 [1,0,0,0,0,0|2,0,1]=4 20 B7R0.4 O=C(Cl)CCCCCl D89459 [1,0,0,0,0,0|2,0,1]=4 21 B7R0.4 O=C(O)CCCCBr 76255 [1,0,0,0,0,0|1,0,1]=3 22 B7R0.4 O=C(O)CCCCCl C10667 [1,0,0,0,0,0|1,0,1]=3 23 B7R0.4 O=C(O)CNCCO AB10154 [1,0,0,0,0,0|2,0,1]=4 24 B7R0.4 O=C(O)COCCCl 29961 [1,0,0,0,0,0|2,0,1]=4 25 B7R0.4 O=C([O-])CCCCO F13839 [1,0,0,0,0,0|1,0,2]=4 26 B7R0.6 C=C(C)CCC(=O)O 80208 [1,0,0,0,0,0|1,0,1]=3 27 B7R0.6 CC(=O)CCC(=O)O D70802 [1,0,0,0,0,0|1,0,2]=4 28 B7R0.6 CC(C)CCC(=O)O 28835 [1,0,0,0,0,0|1,0,1]=3 29 B7R0.6 CN(C)CCC(=O)O 30383 [1,0,0,0,0,0|2,0,1]=4 30 B7R0.6 CN(C)CCC(=O)O 35949 [1,0,0,0,0,0|2,0,1]=4 31 B7R0.6 C[S+](C)CCC(=O)O 74954 [1,0,0,0,0,0|2,0,1]=4 32 B7R0.6 N=C(N)NCC(=O)O AC2229 [1,0,0,0,0,0|2,0,1]=4 33 B7R0.6 NC(=O)CCC(N)=O H12055 [1,0,0,0,0,0|2,0,1]=4 34 B7R0.6 NC(=O)NCC(=O)O AT23074 [1,0,0,0,0,0|2,0,1]=4 35 B7R0.6 O=C(O)CCC(=O)O AB7710 [1,0,0,0,0,0|2,0,1]=4 36 B7R0.6 O=C(O)CCC(=O)O D80729 [1,0,0,0,0,0|2,0,1]=4 37 B7R0.6 O=C(O)CC[N+](=O)[O-] F17743 [1,0,0,0,0,0|3,0,0]=4 38 B9R0.7 CC(=O)N(C)CCC(=O)O W18893 [0,1,0,0,0,0|2,0,1]=4 39 B9R0.7 CC(=O)OC[C@H](N)C(=O)O 50435 [0,1,0,0,0,0|3,0,0]=4 40 B9R0.7 CS(=O)CC[C@H](N)C(=O)O F10841 [0,1,0,0,0,0|3,0,0]=4 41 B9R0.7 C[C@@H](CCC(=O)O)C(=O)O T71598 [0,1,0,0,0,0|2,0,0]=3 42 B9R0.7 NC(=O)CC[C@H](N)C(=O)O 23178 [0,1,0,0,0,0|2,0,0]=3 43 B9R0.7 NC(=O)CC[C@H](N)C(=O)O 28640 [0,1,0,0,0,0|2,0,0]=3 44 B9R0.7 NC(=O)CC[C@H](N)C(=O)O D70833 [0,1,0,0,0,0|2,0,0]=3 45 B9R0.7 NC(=O)NC[C@H](N)C(=O)O C90278 [0,1,0,0,0,0|3,0,0]=4 46 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O FD21440 [0,1,0,0,0,0|1,0,0]=2 47 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O 28645 [0,1,0,0,0,0|1,0,0]=2 48 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O AC7831 [0,1,0,0,0,0|1,0,0]=2 49 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O D70530 [0,1,0,0,0,0|1,0,0]=2 50 B9R0.7 O=C(O)CCC(=O)C(=O)O D70548 [0,1,0,0,0,0|2,0,1]=4 51 B9R0.7 O=C([O-])CC[C@H](O)C(=O)[O-] D87674 [0,1,0,0,0,0|2,0,1]=4 52 B9R0.7 O=C([O-])CC[C@H](O)C(=O)[O-] O12071 [0,1,0,0,0,0|2,0,1]=4 53 B9R1.35 NC1CCC(C(=O)O)C1 31351 [0,0,0,1,0,0|0,0,2]=3 54 B9R1.35 NC1CCC(C(=O)O)C1 38978 [0,0,0,1,0,0|0,0,2]=3 55 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 73672 [0,0,0,1,0,0|0,0,2]=3 56 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 F16405 [0,0,0,1,0,0|0,0,2]=3 57 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 61228 [0,0,0,1,0,0|2,0,1]=4 58 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 BL003740 [0,0,0,1,0,0|2,0,1]=4 59 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 62349 [0,0,0,1,0,0|2,0,1]=4 60 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 62350 [0,0,0,1,0,0|2,0,1]=4 61 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 62351 [0,0,0,1,0,0|2,0,1]=4 62 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 P17905 [0,0,0,1,0,0|2,0,1]=4 63 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 28866 [0,0,0,1,0,0|2,0,1]=4 64 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 37923 [0,0,0,1,0,0|2,0,1]=4 65 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 62301 [0,0,0,1,0,0|2,0,1]=4 66 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 62310 [0,0,0,1,0,0|2,0,1]=4 67 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 62487 [0,0,0,1,0,0|2,0,1]=4 68 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 62488 [0,0,0,1,0,0|2,0,1]=4 69 B9R1.69 N[C@H]1CCC(=O)NC1=O 29616 [0,0,0,1,0,0|2,0,0]=3 70 B9R1.69 N[C@H]1CCC(=O)NC1=O 68699 [0,0,0,1,0,0|2,0,0]=3 71 B9R1.69 N[C@H]1CCC(=O)NC1=O D71109 [0,0,0,1,0,0|2,0,0]=3 72 B9R1.69 N[C@H]1CCC(=O)NC1=O D78527 [0,0,0,1,0,0|2,0,0]=3 73 B9R1.69 O=C1CC[C@H](Br)C(=O)N1 27955 [0,0,0,1,0,0|3,0,0]=4 74 B7R0.2 C=C[C@H](C)OC(C)=O D88608 [0,0,0,0,1,0|3,0,0]=4 75 B7R0.2 CC[C@H](C)CC(=O)O 63956 [0,0,0,0,1,0|1,0,2]=4 76 B7R0.2 CC[C@H](C)CC(=O)O 63972 [0,0,0,0,1,0|1,0,2]=4 77 B7R0.2 CC[C@H](N)CC(=O)O 52001 [0,0,0,0,1,0|0,0,2]=3 78 B7R0.2 CC[C@H](N)CC(=O)O 52002 [0,0,0,0,1,0|0,0,2]=3 79 B7R0.2 CC[C@H](N)CC(=O)O Y10914 [0,0,0,0,1,0|0,0,2]=3 80 B7R0.2 CC[C@H](N)CC(=O)O Y11199 [0,0,0,0,1,0|0,0,2]=3 81 B7R0.2 NC[C@@H](N)CC(=O)O D82928 [0,0,0,0,1,0|1,0,1]=3 82 B7R0.2 NC[C@@H](O)CC(=O)O 52129 [0,0,0,0,1,0|2,0,1]=4 83 B7R0.2 NC[C@@H](O)CC(=O)O 52130 [0,0,0,0,1,0|2,0,1]=4 84 B7R0.2 NC[C@@H](O)CC(=O)O AB3028 [0,0,0,0,1,0|2,0,1]=4 85 B7R0.2 N[C@H](CO)CC(=O)O 27226 [0,0,0,0,1,0|1,0,1]=3 86 B6R0.1 C=C[C@@H](O)CCC D90922 [2,0,0,0,0,0|1,0,1]=4 87 B6R0.4 C#CCCC(=O)O 90045 [2,0,0,0,0,0|0,0,2]=4 88 B6R0.4 C=CCCC(=O)O O12040 [2,0,0,0,0,0|0,0,0]=2 89 B6R0.4 C=CCOC(=O)Cl D87847 [2,0,0,0,0,0|2,0,0]=4 90 B6R0.4 C=CCOC(N)=O D97550 [2,0,0,0,0,0|2,0,0]=4 91 B6R0.4 CC(=O)CCCCl D77754 [2,0,0,0,0,0|2,0,0]=4 92 B6R0.4 CC(=O)CCCO 24602 [2,0,0,0,0,0|2,0,0]=4 93 B6R0.4 CC(=O)NCCN D70867 [2,0,0,0,0,0|2,0,0]=4 94 B6R0.4 CCCCC(=O)[O-] F16484 [2,0,0,0,0,0|0,0,2]=4 95 B6R0.4 CCCCC(N)=O A10835 [2,0,0,0,0,0|1,0,1]=4 96 B6R0.4 CCSCC(=O)O D95699 [2,0,0,0,0,0|1,0,1]=4 97 B6R0.4 CNCCC(=O)O 29150 [2,0,0,0,0,0|1,0,1]=4 98 B6R0.4 CNCCC(=O)O C76064 [2,0,0,0,0,0|1,0,1]=4 99 B6R0.4 COCCC(=O)O F14687 [2,0,0,0,0,0|1,0,1]=4 100 B6R0.4 CSCCC(=O)O D87669 [2,0,0,0,0,0|1,0,1]=4 101 B6R0.4 C\C=C\CC(=O)O D92067 [2,0,0,0,0,0|0,0,2]=4 102 B6R0.4 N#CCCC(=O)O 81998 [2,0,0,0,0,0|0,0,2]=4 103 B6R0.4 NCCCC(=O)O D70585 [2,0,0,0,0,0|0,0,0]=2 104 B6R0.4 NCCNC(N)=O D83060 [2,0,0,0,0,0|2,0,0]=4 105 B6R0.4 O=C(Cl)CCCBr P19996 [2,0,0,0,0,0|2,0,0]=4 106 B6R0.4 O=C(O)CCCBr 20498 [2,0,0,0,0,0|1,0,0]=3 107 B6R0.4 O=C(O)CCCCl F19286 [2,0,0,0,0,0|1,0,0]=3 108 B6R0.4 O=C(O)CCCS F20547 [2,0,0,0,0,0|1,0,0]=3 109 B6R0.4 O=CNCC(=O)O AC8948 [2,0,0,0,0,0|2,0,0]=4 110 B6R0.6 C=CCCCCBr F14895 [2,0,0,0,0,0|1,0,1]=4 111 B6R0.6 C=CCCCCCl N11935 [2,0,0,0,0,0|1,0,1]=4 112 B6R0.6 C=CCCCCO 35574 [2,0,0,0,0,0|0,0,1]=3 113 B6R0.6 C=CCNCC=C AC7931 [2,0,0,0,0,0|2,0,0]=4 114 B6R0.6 C=CCOCC=C D88230 [2,0,0,0,0,0|2,0,0]=4 115 B6R0.6 O=CCCCCCl C10094 [2,0,0,0,0,0|1,0,1]=4 116 B6R0.6 O=CCCCCO F19841 [2,0,0,0,0,0|1,0,1]=4 117 B8R0.7 C#CCCCCC(=O)O 76366 [1,1,0,0,0,0|0,0,2]=4 118 B8R0.7 C=CCCCCB(O)O I12043 [1,1,0,0,0,0|1,0,1]=4 119 B8R0.7 C=CCCCCC(=O)O I11996 [1,1,0,0,0,0|0,0,0]=2 120 B8R0.7 CCCCOCC(=O)O AC1559 [1,1,0,0,0,0|0,0,2]=4 121 B8R0.7 COCCOCC(=O)O D74540 [1,1,0,0,0,0|1,0,1]=4 122 B8R0.7 N#CCCNCC(=O)O AB6918 [1,1,0,0,0,0|1,0,1]=4 123 B8R0.7 O=C(O)CCCCCBr F11242 [1,1,0,0,0,0|0,0,2]=4 124 B8R0.7 O=C(O)CCCCCCl D77823 [1,1,0,0,0,0|0,0,2]=4 125 B8R0.7 O=C(O)CCCCCO S10488 [1,1,0,0,0,0|0,0,2]=4 126 B8R0.7 O=C(O)CCNCCO D94998 [1,1,0,0,0,0|1,0,1]=4 127 B8R0.28 CC(=O)CCCC(=O)O TD8115 [1,1,0,0,0,0|0,0,1]=3 128 B8R0.28 CC(=O)NCCC(=O)O 50398 [1,1,0,0,0,0|1,0,1]=4 129 B8R0.28 CC(=O)SCCC(=O)O N12196 [1,1,0,0,0,0|1,0,1]=4 130 B8R0.28 CN(C)CCCC(=O)O F14882 [1,1,0,0,0,0|1,0,1]=4 131 B8R0.28 N=C(N)NCCC(=O)O H10255 [1,1,0,0,0,0|2,0,0]=4 132 B8R0.28 N=C(N)SCCC(=O)O C15948 [1,1,0,0,0,0|2,0,0]=4 133 B8R0.28 O=C(O)CCCC(=O)O D70283 [1,1,0,0,0,0|1,0,0]=3 134 B8R0.28 O=C(O)COCC(=O)O 73725 [1,1,0,0,0,0|2,0,0]=4 135 B8R0.28 O=C(O)CSCC(=O)O AT13116 [1,1,0,0,0,0|2,0,0]=4 136 B8R0.23 C=C(Br)C[C@H](N)C(=O)O D97319 [1,1,0,0,0,0|1,0,1]=4 137 B8R0.23 CC(C)C[C@H](Br)C(=O)O 36197 [1,1,0,0,0,0|1,0,1]=4 138 B8R0.23 CC(C)C[C@H](Br)C(=O)O C74469 [1,1,0,0,0,0|1,0,1]=4 139 B8R0.23 CC(C)C[C@H](N)C(=O)O 29890 [1,1,0,0,0,0|1,0,1]=4 140 B8R0.23 CC(C)C[C@H](N)C(=O)O AC7886 [1,1,0,0,0,0|1,0,1]=4 141 B8R0.23 CC(C)C[C@H](O)C(=O)O D87748 [1,1,0,0,0,0|1,0,1]=4 142 B8R0.23 CC(C)C[C@H](O)C(=O)O F14883 [1,1,0,0,0,0|1,0,1]=4 143 B8R0.23 CC(C)C[C@H](O)C(=O)O S10037 [1,1,0,0,0,0|1,0,1]=4 144 B8R0.23 CC(C)[C@@H](N)CC(=O)O 28879 [1,1,0,0,0,0|1,0,1]=4 145 B8R0.23 CC(C)[C@@H](N)CC(=O)O 62352 [1,1,0,0,0,0|1,0,1]=4 146 B8R0.23 CC(C)[C@@H](N)CC(=O)O 62354 [1,1,0,0,0,0|1,0,1]=4 147 B8R0.23 C[C@H](O)[C@@H](N)CC(=O)O 25533 [1,1,0,0,0,0|1,0,1]=4 148 B8R0.23 NC(=O)C[C@H](N)C(=O)O 20146 [1,1,0,0,0,0|1,0,1]=4 149 B8R0.23 NC(=O)C[C@H](N)C(=O)O 68743 [1,1,0,0,0,0|1,0,1]=4 150 B8R0.23 NC(=O)C[C@H](N)C(=O)O D70834 [1,1,0,0,0,0|1,0,1]=4 151 B8R0.23 NC(=O)C[C@H](N)C(=O)O F10838 [1,1,0,0,0,0|1,0,1]=4 152 B8R0.23 NC(=O)C[C@H](N)C(=O)O FD20027 [1,1,0,0,0,0|1,0,1]=4 153 B8R0.29 CC(C)(C)CCC(=O)O AB7068 [1,1,0,0,0,0|1,0,1]=4 154 B8R0.29 NS(=O)(=O)CCC(=O)O 24587 [1,1,0,0,0,0|2,0,0]=4 155 B8R0.29 O=C(O)CCC(Cl)(Cl)Cl D95675 [1,1,0,0,0,0|2,0,0]=4 156 B8R0.29 O=C(O)CCC(F)(F)F 69294 [1,1,0,0,0,0|2,0,0]=4 157 B10R0.98 N[C@@H](CCCC(=O)O)C(=O)O 46018 [0,1,0,0,0,1|1,0,0]=3 158 B10R0.98 N[C@@H](CCCC(=O)O)C(=O)O 46020 [0,1,0,0,0,1|1,0,0]=3 159 B10R0.98 N[C@@H](CCCC(=O)O)C(=O)O 51942 [0,1,0,0,0,1|1,0,0]=3 160 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O H11928 [0,1,0,0,0,1|1,0,0]=3 161 B10R0.43 CC(C)(CCC(=O)O)C(=O)O D79772 [0,2,0,0,0,0|2,0,0]=4 162 B10R0.84 CN[C@@H](CCC(=O)O)C(=O)O F15110 [0,2,0,0,0,0|1,0,0]=3 163 B10R0.92 CP(=O)(O)CCC(N)C(=O)O F20360 [0,2,0,0,0,0|2,0,0]=4 164 B10R0.96 C[C@@H](CCC(=O)O)CC(=O)O D91380 [0,2,0,0,0,0|1,0,1]=4 165 B8R1.1 C=C[C@@H]1COC(=O)O1 D92787 [1,0,0,1,0,0|2,0,0]=4 166 B8R1.1 NC[C@H]1CCC(=O)N1 29046 [1,0,0,1,0,0|1,0,1]=4 167 B8R1.1 N[C@@H]1C=C[C@H](CO)C1 D70763 [1,0,0,1,0,0|0,0,1]=3 168 B8R1.1 O=C1CC[C@H](CBr)N1 54799 [1,0,0,1,0,0|1,0,1]=4 169 B8R1.1 O=C1CC[C@H](CBr)N1 FD1199 [1,0,0,1,0,0|1,0,1]=4 170 B8R1.1 O=C1CC[C@H](CO)N1 65450 [1,0,0,1,0,0|1,0,1]=4 171 B8R1.1 O=C1CC[C@H](CO)N1 65451 [1,0,0,1,0,0|1,0,1]=4 172 B8R1.1 O=C1CC[C@H](CO)N1 78078 [1,0,0,1,0,0|1,0,1]=4 173 B8R1.3 NC1CCC(=O)CC1 24439 [1,0,0,1,0,0|0,0,2]=4 174 B8R1.3 N[C@H]1CCC(=O)NC1 P10247 [1,0,0,1,0,0|1,0,1]=4 175 B8R1.4 CC1=CC(=O)CCC1 S10448 [1,0,0,1,0,0|1,0,1]=4 176 B8R1.4 C[C@H]1CCCC(=O)O1 D90945 [1,0,0,1,0,0|0,0,2]=4 177 B8R1.4 NC1=CC(=O)CCC1 30084 [1,0,0,1,0,0|2,0,0]=4 178 B8R1.4 O=C1C=C(O)CCC1 D81514 [1,0,0,1,0,0|2,0,0]=4 179 B8R1.4 O=C1CCCC(=O)C1 70018 [1,0,0,1,0,0|2,0,0]=4 180 B8R1.4 O=C1CCCC(=O)N1 F11946 [1,0,0,1,0,0|2,0,0]=4 181 B8R1.4 O=C1COCC(=O)O1 D90041 [1,0,0,1,0,0|2,0,0]=4 182 B8R1.4 O=C1CSCC(=O)O1 H10798 [1,0,0,1,0,0|2,0,0]=4 183 B8R1.7 O=C(O)C1=CCC=C1 36684 [1,0,0,1,0,0|0,0,2]=4 184 B8R1.7 O=C(O)C1=CCCC1 C10074 [1,0,0,1,0,0|0,0,2]=4 185 B8R1.7 O=C(O)C1=COCC1 60301 [1,0,0,1,0,0|1,0,1]=4 186 B8R1.7 O=C(O)C1CC=CC1 68357 [1,0,0,1,0,0|0,0,2]=4 187 B8R1.7 O=C(O)C1CCCC1 34069 [1,0,0,1,0,0|0,0,2]=4 188 B8R1.7 O=C(O)[C@@H]1C=CCN1 60104 [1,0,0,1,0,0|1,0,0]=3 189 B8R1.7 O=C(O)[C@@H]1C=CCN1 60105 [1,0,0,1,0,0|1,0,0]=3 190 B8R1.7 O=C(O)[C@@H]1CCCN1 30759 [1,0,0,1,0,0|1,0,1]=4 191 B8R1.7 O=C(O)[C@@H]1CCCN1 69586 [1,0,0,1,0,0|1,0,1]=4 192 B8R1.7 O=C(O)[C@@H]1CCCN1 P17692 [1,0,0,1,0,0|1,0,1]=4 193 B8R1.7 O=C(O)[C@@H]1CCCO1 30805 [1,0,0,1,0,0|1,0,1]=4 194 B8R1.7 O=C(O)[C@@H]1CCCO1 66521 [1,0,0,1,0,0|1,0,1]=4 195 B8R1.7 O=C(O)[C@@H]1CCCO1 74188 [1,0,0,1,0,0|1,0,1]=4 196 B8R1.7 O=C(O)[C@@H]1CCCS1 72166 [1,0,0,1,0,0|1,0,1]=4 197 B8R1.7 O=C(O)[C@H]1CCNC1 27256 [1,0,0,1,0,0|1,0,1]=4 198 B8R1.7 O=C(O)[C@H]1CCNC1 65300 [1,0,0,1,0,0|1,0,1]=4 199 B8R1.7 O=C(O)[C@H]1CCNC1 65301 [1,0,0,1,0,0|1,0,1]=4 200 B8R1.7 O=C(O)[C@H]1CCNC1 65434 [1,0,0,1,0,0|1,0,1]=4 201 B8R1.7 O=C(O)[C@H]1CCOC1 66518 [1,0,0,1,0,0|1,0,1]=4 202 B8R1.34 O=C(O)CC1CCC1 AB3606 [1,0,0,1,0,0|0,0,2]=4 203 B8R1.35 O=C(O)CCC1CC1 68386 [1,0,0,1,0,0|0,0,2]=4 204 B8R1.23 C=C1CC(C(=O)O)C1 66669 [1,0,0,1,0,0|1,0,1]=4 205 B8R1.23 CC1CC(C(=O)O)C1 84166 [1,0,0,1,0,0|1,0,1]=4 206 B8R1.23 O=C(O)C1CC(Cl)C1 P10434 [1,0,0,1,0,0|1,0,1]=4 207 B8R1.23 O=C(O)C1CC(O)C1 25649 [1,0,0,1,0,0|1,0,1]=4 208 B8R1.23 O=C(O)[C@H]1C[C@@H](O)C1 38898 [1,0,0,1,0,0|1,0,1]=4 209 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 P12186 [1,0,0,1,0,0|1,0,1]=4 210 B8R1.23 O=C1C[C@@H](C(=O)O)N1 31388 [1,0,0,1,0,0|1,0,1]=4 211 B8R1.77 CC1(C)C[C@@H]1C(=O)O CL4550 [1,0,0,1,0,0|1,0,1]=4 212 B8R1.77 CC1(C)C[C@@H]1C(=O)O P17495 [1,0,0,1,0,0|1,0,1]=4 213 B8R1.77 O=C(O)[C@H]1CC1(F)F 71486 [1,0,0,1,0,0|2,0,0]=4 214 B8R1.18 C[C@H]1CC(=O)OC1=O C10641 [0,0,0,1,1,0|2,0,0]=4 215 B10R1.13 NC1CCC(C(=O)O)CC1 20592 [0,0,0,1,0,1|0,0,2]=4 216 B10R1.13 N[C@H]1CC[C@@H](C(=O)O)CC1 51515 [0,0,0,1,0,1|0,0,2]=4 217 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 51510 [0,0,0,1,0,1|0,0,2]=4 218 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 51511 [0,0,0,1,0,1|0,0,2]=4 219 B10R1.54 CC(=O)O[C@@H]1C=C[C@H](O)C1 62220 [0,0,0,1,0,1|2,0,0]=4 220 B10R1.63 CC1(C)CCC(=O)OC1=O D89834 [0,1,0,1,0,0|2,0,0]=4 221 B10R1.113 NC1CCCC(C(=O)O)C1 O10942 [0,1,0,1,0,0|0,0,2]=4 222 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 P11018 [0,1,0,1,0,0|0,0,2]=4 223 B10R1.118 C[C@H]1C[C@@H](C)C(=O)OC1=O AC1086 [0,1,0,1,0,0|2,0,0]=4 224 B10R1.66 O=C(O)CCC1=CC=CO1 68597 [0,1,0,1,0,0|1,0,1]=4 225 B10R1.66 O=C(O)CCC1=CNC=N1 78777 [0,1,0,1,0,0|0,0,2]=4 226 B10R1.66 O=C(O)CCC1=CSC=C1 W13262 [0,1,0,1,0,0|1,0,1]=4 227 B10R1.66 O=C(O)CCN1C=CC=C1 30775 [0,1,0,1,0,0|2,0,0]=4 228 B10R1.66 O=C(O)CCN1C=CN=C1 25902 [0,1,0,1,0,0|1,0,1]=4 229 B10R1.66 O=C(O)CCN1C=CN=C1 D83559 [0,1,0,1,0,0|1,0,1]=4 230 B10R1.66 O=C(O)CCN1C=NC=N1 30242 [0,1,0,1,0,0|1,0,1]=4 231 B6R0.2 CC(C)CC(=O)O D78213 [1,0,0,0,1,0|1,0,1]=4 232 B6R0.2 C[C@H](Cl)CC(=O)O D89206 [1,0,0,0,1,0|1,0,1]=4 233 B6R0.2 C[C@H](N)CC(=O)O 62356 [1,0,0,0,1,0|0,0,1]=3 234 B6R0.2 C[C@H](N)CC(=O)O 62357 [1,0,0,0,1,0|0,0,1]=3 235 B6R0.2 C[C@H](N)CC(=O)O 62358 [1,0,0,0,1,0|0,0,1]=3 236 B6R0.2 C[C@H](N)CC(=O)O 62359 [1,0,0,0,1,0|0,0,1]=3 237 B6R0.2 C[C@H](N)CC(=O)O 62363 [1,0,0,0,1,0|0,0,1]=3 238 B6R0.2 C[C@H](O)CC(=O)O D84191 [1,0,0,0,1,0|1,0,1]=4 239 B6R0.2 C[C@H](O)CC(=O)O O10175 [1,0,0,0,1,0|1,0,1]=4 240 B6R0.3 CC[C@H](N)C(=O)O 11781 [0,0,0,0,2,0|0,0,2]=4 241 B6R0.3 CC[C@H](N)C(=O)O 23105 [0,0,0,0,2,0|0,0,2]=4 242 B6R0.3 CC[C@H](N)C(=O)O 25309 [0,0,0,0,2,0|0,0,2]=4 243 B6R0.3 CC[C@H](N)C(=O)O 80046 [0,0,0,0,2,0|0,0,2]=4 244 B6R0.3 NC[C@H](N)C(=O)O 22838 [0,0,0,0,2,0|1,0,1]=4 245 B6R0.3 NC[C@H](N)C(=O)O 51944 [0,0,0,0,2,0|1,0,1]=4 246 B6R0.3 NC[C@H](N)C(=O)O 51945 [0,0,0,0,2,0|1,0,1]=4 247 B6R0.3 NC[C@H](N)C(=O)O FD1046 [0,0,0,0,2,0|1,0,1]=4 248 B6R0.3 N[C@@H](CCl)C(=O)O 77992 [0,0,0,0,2,0|1,0,1]=4 249 B6R0.3 N[C@@H](CCl)C(=O)O F11547 [0,0,0,0,2,0|1,0,1]=4 250 B6R0.3 N[C@@H](CCl)C(=O)O FD21123 [0,0,0,0,2,0|1,0,1]=4 251 B6R0.3 N[C@@H](CO)C(=O)O 29580 [0,0,0,0,2,0|1,0,1]=4 252 B6R0.3 N[C@@H](CO)C(=O)O 30744 [0,0,0,0,2,0|1,0,1]=4 253 B6R0.3 N[C@@H](CO)C(=O)O D70822 [0,0,0,0,2,0|1,0,1]=4 254 B6R0.3 N[C@@H](CS)C(=O)O 22868 [0,0,0,0,2,0|1,0,1]=4 255 B6R0.3 N[C@@H](CS)C(=O)O 24506 [0,0,0,0,2,0|1,0,1]=4 256 B6R0.3 N[C@@H](CS)C(=O)O 37900 [0,0,0,0,2,0|1,0,1]=4 257 B6R0.3 N[C@@H](CS)C(=O)O AC8040 [0,0,0,0,2,0|1,0,1]=4 258 B6R0.3 N[C@@H](CS)C(=O)O E72644 [0,0,0,0,2,0|1,0,1]=4 259 B6R0.3 N[C@@H](CS)C(=O)O FD21265 [0,0,0,0,2,0|1,0,1]=4 260 B6R0.3 N[C@@H](CS)C(=O)O FD21267 [0,0,0,0,2,0|1,0,1]=4 261 B6R0.3 N[C@@H](CS)C(=O)O FD21272 [0,0,0,0,2,0|1,0,1]=4 262 B6R0.3 N[C@@H](CS)C(=O)O FD3010 [0,0,0,0,2,0|1,0,1]=4