0 B8R0.5 C(=O)(NC(C)C)CCC AK-95275 [0,0,0,0,0,0|3,0,1]=4 1 B8R0.5 C(C(OCC)=O)C(C)O AK-73006 [0,0,0,0,0,0|0,0,2]=2 2 B8R0.5 CCC[C@H](N)CC(O)=O AK131282 [0,0,0,0,0,0|3,0,1]=4 3 B8R0.5 CCOC(=O)OC(C)Cl AK109787 [0,0,0,0,0,0|2,0,1]=3 4 B8R0.5 O=C(OCC)CC(N)=O AK-44357 [0,0,0,0,0,0|1,0,0]=1 5 B8R0.5 O=C(OCC)CC(N)=S AK109338 [0,0,0,0,0,0|1,1,0]=2 6 B8R0.5 O=C([O-])CC(OCC)=O AK-88661 [0,0,0,0,0,0|1,0,0]=1 7 B8R0.5 O[C@@H](CC(=O)OCC)C AK-44441 [0,0,0,0,0,0|0,0,2]=2 8 B7R0.2 CCC(N)CC(O)=O AK-45971 [1,0,0,0,0,0|2,0,1]=4 9 B7R0.2 CC[C@@H](N)CC(O)=O AK131267 [1,0,0,0,0,0|2,0,1]=4 10 B7R0.2 CC[C@H](N)CC(O)=O AK548217 [1,0,0,0,0,0|2,0,1]=4 11 B7R0.2 C[C@@H](N)CC(OC)=O AK175410 [1,0,0,0,0,0|1,0,1]=3 12 B7R0.2 C[C@@H](O)CC(OC)=O AK-54453 [1,0,0,0,0,0|0,0,2]=3 13 B7R0.2 C[C@H](O)CC(OC)=O AK-48318 [1,0,0,0,0,0|0,0,2]=3 14 B7R0.2 O=C(O)CC(OC)=O AK-77136 [1,0,0,0,0,0|1,0,0]=2 15 B7R0.2 O=C(OC)CC(N)=O AK127795 [1,0,0,0,0,0|1,0,0]=2 16 B7R0.4 O=C(O)\C=C\OCC AK-46090 [1,0,0,0,0,0|1,0,1]=3 17 B7R0.7 C(C)OC(CCI)=O AK-46570 [1,0,0,0,0,0|1,0,1]=3 18 B7R0.7 CC#CC(OCC)=O AK-44989 [1,0,0,0,0,0|0,0,2]=3 19 B7R0.7 CCOC(=O)CCBr AK-76993 [1,0,0,0,0,0|1,0,1]=3 20 B7R0.7 CCOC(=O)CCO AK-41251 [1,0,0,0,0,0|0,0,2]=3 21 B7R0.7 O=C(COC)COC AK116819 [1,0,0,0,0,0|3,0,0]=4 22 B7R0.7 O=C(NCC)NCC AK116700 [1,0,0,0,0,0|2,0,1]=4 23 B7R0.7 O=C(OCC)C#CBr AK127753 [1,0,0,0,0,0|1,0,2]=4 24 B7R0.7 O=C(OCC)CCN AK-49791 [1,0,0,0,0,0|1,0,1]=3 25 B7R0.7 O=C(OCC)CNC AK-44190 [1,0,0,0,0,0|1,0,0]=2 26 B7R0.7 O=C(OCC)CNN AK-50556 [1,0,0,0,0,0|2,0,0]=3 27 B7R0.7 O=C(OCC)OCCl AK128867 [1,0,0,0,0,0|2,0,1]=4 28 B7R0.7 O=C(OCC)\C=C\I AK117013 [1,0,0,0,0,0|1,0,1]=3 29 B9R0.6 CC(Br)C(C(OCC)=O)=O AK-50500 [0,1,0,0,0,0|1,0,2]=4 30 B9R0.6 CC(C(C)C(OCC)=O)=O AK-72552 [0,1,0,0,0,0|0,0,0]=1 31 B9R0.6 CC(C)C(N)C(OCC)=O AK117096 [0,1,0,0,0,0|1,0,1]=3 32 B9R0.6 N[C@H](C(C)C)C(OCC)=O AK-50082 [0,1,0,0,0,0|1,0,1]=3 33 B9R0.6 [C@H](C)(O)[C@@H](N)C(=O)OCC AK-89761 [0,1,0,0,0,0|0,0,2]=3 34 B9R0.6 [C@H](N)(C(C)C)C(=O)OCC AK-46082 [0,1,0,0,0,0|1,0,1]=3 35 B9R0.34 CCC(CC(OCC)=O)=O AK-49828 [0,1,0,0,0,0|0,0,0]=1 36 B9R0.34 CCCC(CC(OC)=O)=O AK-93760 [0,1,0,0,0,0|1,0,0]=2 37 B9R0.34 O=C(OC)CC(COC)=O AK-76878 [0,1,0,0,0,0|2,0,0]=3 38 B9R0.34 O=C(OCC)CC(NN)=O AK-81585 [0,1,0,0,0,0|1,0,0]=2 39 B9R0.34 O=C(OCC)C[C@H](O)CCl AK-50772 [0,1,0,0,0,0|0,0,2]=3 40 B9R0.34 O=C(OCC)\C=C(C)\C=O AK-45194 [0,1,0,0,0,0|0,0,1]=2 41 B9R0.44 C(C)OC(CC(C)(C)N)=O AK-39600 [0,1,0,0,0,0|1,0,1]=3 42 B9R0.44 CCOC(=O)CC(C)(C)O AK-78216 [0,1,0,0,0,0|0,0,2]=3 43 B9R0.44 CCOC(=O)CS(C)(=O)=O AK-48256 [0,1,0,0,0,0|1,0,0]=2 44 B9R0.44 O=C(OCC)C[Si](C)(C)C AK106228 [0,1,0,0,0,0|1,1,0]=3 45 B9R0.53 O=C(OC(Cl)C)OC(C)C AK114647 [0,1,0,0,0,0|2,0,1]=4 46 B9R0.53 O=C(OC(Cl)C)OC(Cl)C AK402194 [0,1,0,0,0,0|2,0,1]=4 47 B9R1.41 CC(=O)N1C=COC1=O AK-82187 [0,0,0,1,0,0|1,0,2]=4 48 B9R1.41 CC(=O)N1CCNC1=O AK-81684 [0,0,0,1,0,0|2,0,0]=3 49 B9R1.48 C1(CCCCC(C1)=O)=O AK-49302 [0,0,0,1,0,0|1,0,0]=2 50 B9R1.48 O=C1CC(CCCN1)=O AK163792 [0,0,0,1,0,0|1,0,0]=2 51 B9R1.48 O=C1NCCCC(N)C1 AK132100 [0,0,0,1,0,0|2,0,1]=4 52 B9R1.66 O=C1CC(C)(C)CCC1 AK-77355 [0,0,0,1,0,0|2,0,1]=4 53 B9R1.137 CC(CC(C1CC1)=O)=O AK-84405 [0,0,0,1,0,0|1,0,0]=2 54 B7R0.5 CC(C)C(OCCl)=O AK163215 [0,0,0,0,1,0|2,0,1]=4 55 B7R0.5 CCOC(=O)C(C)N AK-46063 [0,0,0,0,1,0|1,0,1]=3 56 B7R0.5 CCOC(=O)C(N)=O AK-45440 [0,0,0,0,1,0|1,0,0]=2 57 B7R0.5 CCOC([C@@H](C)O)=O AK-46630 [0,0,0,0,1,0|0,0,2]=3 58 B7R0.5 C[C@H](N)C(OCC)=O AK-49256 [0,0,0,0,1,0|1,0,1]=3 59 B7R0.5 N[C@H](C)C(OCC)=O AK-49997 [0,0,0,0,1,0|1,0,1]=3 60 B7R0.5 O=C(OCC)C(N)=S AK-45462 [0,0,0,0,1,0|1,1,0]=3 61 B9R0.48 CC(CCC(OCC)=O)=O AK109266 [0,0,0,0,0,1|0,0,0]=1 62 B9R0.48 CCOC(=O)/C=C/C(O)=O AK-48066 [0,0,0,0,0,1|1,0,1]=3 63 B9R0.48 CCOC(=O)/C=C/N(C)C AK110935 [0,0,0,0,0,1|2,0,1]=4 64 B9R0.48 CCOC(=O)C=CN(C)C AK-51660 [0,0,0,0,0,1|2,0,1]=4 65 B9R0.48 O=C(O)CCC(OCC)=O AK130461 [0,0,0,0,0,1|1,0,0]=2 66 B6R0.1 C#CCC(OC)=O AK-93397 [2,0,0,0,0,0|0,0,2]=4 67 B6R0.1 O=C(NCC)CN AK-65785 [2,0,0,0,0,0|2,0,0]=4 68 B6R0.1 O=C(OC)CCBr AK-91613 [2,0,0,0,0,0|1,0,1]=4 69 B6R0.1 O=C(OC)CCN AK-46776 [2,0,0,0,0,0|1,0,1]=4 70 B6R0.1 O=C(OC)CCO AK-83355 [2,0,0,0,0,0|0,0,2]=4 71 B6R0.1 O=C(OC)CNC AK-58375 [2,0,0,0,0,0|1,0,0]=3 72 B6R0.1 O=C(OC)OCC AK397345 [2,0,0,0,0,0|1,0,0]=3 73 B6R0.1 O=C(OC)\C=C\I AK-49986 [2,0,0,0,0,0|1,0,1]=4 74 B6R0.1 O=C(OCC)CO AK-98662 [2,0,0,0,0,0|0,0,1]=3 75 B6R0.2 C(C(=O)O)N(C)C AK-41194 [2,0,0,0,0,0|2,0,0]=4 76 B6R0.2 CC(\C=C(N)\C)=O AK-39642 [2,0,0,0,0,0|1,0,1]=4 77 B6R0.2 C[C@@H](N)CC(O)=O AK-44656 [2,0,0,0,0,0|1,0,1]=4 78 B6R0.2 C[C@@H](N)CC(O)=O AK112818 [2,0,0,0,0,0|1,0,1]=4 79 B6R0.2 C[C@@H](O)CC(O)=O AK-89074 [2,0,0,0,0,0|0,0,2]=4 80 B6R0.2 C[C@H](N)CC(O)=O AK-34921 [2,0,0,0,0,0|1,0,1]=4 81 B6R0.2 C[C@H](N)CC(O)=O AK-75919 [2,0,0,0,0,0|1,0,1]=4 82 B6R0.2 C\C(C)=C\C(O)=O AK-65194 [2,0,0,0,0,0|1,0,1]=4 83 B6R0.2 OC(=O)CC(O)=O AK-98172 [2,0,0,0,0,0|1,0,0]=3 84 B6R0.4 CC(CCCCl)=O AK-48368 [2,0,0,0,0,0|1,0,1]=4 85 B6R0.4 CCCCC([O-])=O AK163205 [2,0,0,0,0,0|1,0,1]=4 86 B6R0.4 O=C(O)CCOC AK-88477 [2,0,0,0,0,0|1,0,1]=4 87 B8R0.2 CC(C(C(OC)=O)N)C AK-41529 [1,1,0,0,0,0|1,0,1]=4 88 B8R0.2 CC(C(N)C(OC)=O)=O AK100204 [1,1,0,0,0,0|0,0,0]=2 89 B8R0.2 CC(C)C(N)C(OC)=O AK133088 [1,1,0,0,0,0|1,0,1]=4 90 B8R0.2 CC(C)[C@H](O)C(OC)=O AK146226 [1,1,0,0,0,0|1,0,1]=4 91 B8R0.2 CC(O)C(N)C(OC)=O AK-77084 [1,1,0,0,0,0|0,0,2]=4 92 B8R0.2 C[C@@H](O)[C@@H](N)C(OC)=O AK162652 [1,1,0,0,0,0|0,0,2]=4 93 B8R0.2 C[C@H](O)[C@H](N)C(OC)=O AK-90375 [1,1,0,0,0,0|0,0,2]=4 94 B8R0.2 N[C@@H](C(C)C)C(OC)=O AK-47574 [1,1,0,0,0,0|1,0,1]=4 95 B8R0.2 N[C@@H]([C@H](O)C)C(OC)=O AK-49761 [1,1,0,0,0,0|0,0,2]=4 96 B8R0.19 CCC(=O)CC(=O)OC AK-53853 [1,1,0,0,0,0|0,0,0]=2 97 B8R0.19 CCC(CC(CC)=O)=O AK-88511 [1,1,0,0,0,0|0,0,0]=2 98 B8R0.19 CC[C@H](N)CC(OC)=O AK608037 [1,1,0,0,0,0|1,0,1]=4 99 B8R0.19 CNC(C)=CC(=O)OC AK-89549 [1,1,0,0,0,0|1,0,1]=4 100 B8R0.23 CC(CC(N(C)C)=O)=O AK129044 [1,1,0,0,0,0|1,0,0]=3 101 B8R0.24 O=C(OC)CS(=O)(C)=O AK307503 [1,1,0,0,0,0|1,0,0]=3 102 B8R0.9 CC\C(C)=C\CC(O)=O AK146168 [1,1,0,0,0,0|2,0,0]=4 103 B8R0.1 CCOC(=O)CCCI AK102411 [1,1,0,0,0,0|0,0,1]=3 104 B8R0.1 CCOC(=O)CCCN AK-47111 [1,1,0,0,0,0|0,0,1]=3 105 B8R0.1 O=C(OCC)CCCBr AK-41609 [1,1,0,0,0,0|0,0,1]=3 106 B8R0.3 CC(C#N)C(OCC)=O AK-98818 [1,1,0,0,0,0|1,0,1]=4 107 B8R0.3 CCC(C(OCC)=O)=O AK-75904 [1,1,0,0,0,0|0,0,2]=4 108 B8R0.3 CCOC(=O)C(N)CO AK-81620 [1,1,0,0,0,0|0,0,2]=4 109 B8R0.3 CCOC([C@@H](CO)N)=O AK-49218 [1,1,0,0,0,0|0,0,2]=4 110 B8R0.3 CC[C@H](N)C(OCC)=O AK342326 [1,1,0,0,0,0|0,0,1]=3 111 B8R0.3 N[C@@H](CS)C(OCC)=O AK-49182 [1,1,0,0,0,0|0,1,1]=4 112 B8R0.3 [C@H](N)(CO)C(=O)OCC AK-49623 [1,1,0,0,0,0|0,0,2]=4 113 B8R0.14 CCOC(=O)C(C)(C)N AK-54013 [0,1,0,0,1,0|1,0,1]=4 114 B10R0.26 C(=O)(CC(=O)C(C)C)OCC AK-73120 [0,1,0,0,0,1|1,0,1]=4 115 B10R0.26 O=C(OCC)CN(C)C(N)=N AK129324 [0,1,0,0,0,1|2,0,0]=4 116 B10R0.32 CC(C)CC(N)C(OCC)=O AK153054 [0,1,0,0,0,1|1,0,1]=4 117 B10R0.32 CC(CC(C(OCC)=O)=O)=O AK-49984 [0,1,0,0,0,1|0,0,0]=2 118 B10R0.32 [C@H](N)(CC(C)C)C(=O)OCC AK-49643 [0,1,0,0,0,1|1,0,1]=4 119 B10R0.78 O=C(C)CCC(OCCC)=O AK326213 [0,1,0,0,0,1|0,0,0]=2 120 B10R0.96 O=C(O)CNC(CC(C)C)=O AK-61155 [0,1,0,0,0,1|2,0,0]=4 121 B10R0.108 O=C(OCC)CNC(OC)=O AK-93553 [0,1,0,0,0,1|0,0,0]=2 122 B10R0.18 CCCCC(CC(OC)=O)=O AK105368 [0,2,0,0,0,0|1,0,0]=3 123 B10R0.18 O=C(OC)CC(CCOC)=O AK-78860 [0,2,0,0,0,0|1,0,0]=3 124 B10R0.44 CC(C)CC(CC(OC)=O)=O AK153459 [0,2,0,0,0,0|1,0,0]=3 125 B10R0.44 CC(CC(CC(OC)=O)=O)=O AK-89583 [0,2,0,0,0,0|1,0,1]=4 126 B10R0.36 C(C)OC(=O)C(C(O)=O)(C)C AK-26109 [0,2,0,0,0,0|1,0,0]=3 127 B10R0.100 CCOC(=O)C(Br)C(C)(C)Br AK-90034 [0,2,0,0,0,0|1,0,1]=4 128 B10R0.101 CC(C(CC)C(OCC)=O)=O AK-46785 [0,2,0,0,0,0|0,0,0]=2 129 B10R0.2 O=C(OCC)CC(OCC)=O AK120896 [0,2,0,0,0,0|0,0,0]=2 130 B10R0.2 O=C(OCC)C[C@H](O)CC#N AK-50683 [0,2,0,0,0,0|0,0,2]=4 131 B10R0.2 O=C(OCC)\C=C(N)\OCC AK116519 [0,2,0,0,0,0|1,0,1]=4 132 B10R0.31 C(C)(C)(C)OC(C[C@H](C)O)=O AK-49010 [0,2,0,0,0,0|0,0,2]=4 133 B10R0.31 CC(C)(C)OC(=O)CC(O)=O AK-44842 [0,2,0,0,0,0|1,0,0]=3 134 B10R0.31 CC(CC(OC(C)(C)C)=O)=O AK106196 [0,2,0,0,0,0|0,0,0]=2 135 B8R1.4 CN1CCOC(=O)C1 AK-33826 [1,0,0,1,0,0|2,0,0]=4 136 B8R1.4 N1CCC(CC1=O)=O AK-23571 [1,0,0,1,0,0|1,0,0]=3 137 B8R1.4 NC=1CCCC(C1)=O AK-49851 [1,0,0,1,0,0|1,0,1]=4 138 B8R1.4 O=C1CC(C)NCC1 AK-45778 [1,0,0,1,0,0|1,0,1]=4 139 B8R1.4 O=C1CC(CCC1)=O AK-44688 [1,0,0,1,0,0|0,0,0]=2 140 B8R1.4 O=C1CC(COC1)=O AK-32470 [1,0,0,1,0,0|1,0,0]=3 141 B8R1.4 O=C1CSCC(=O)C1 AK-32471 [1,0,0,1,0,0|1,0,0]=3 142 B8R1.4 O=C1CSCC(O1)=O AK307186 [1,0,0,1,0,0|2,0,0]=4 143 B8R1.4 O=C1NC(=O)CNC1 AK-26011 [1,0,0,1,0,0|2,0,0]=4 144 B8R1.4 O=C1[CH-]C(COC1)=O AK-42250 [1,0,0,1,0,0|1,0,1]=4 145 B8R1.18 CN1C(=O)CC(=N1)C AK-72987 [1,0,0,1,0,0|2,0,0]=4 146 B8R1.18 O=C1C(C)CC(O1)=O AK113612 [1,0,0,1,0,0|1,0,0]=3 147 B8R1.18 O=C1N[C@@H](C)C(O1)=O AK109319 [1,0,0,1,0,0|2,0,0]=4 148 B8R1.7 O=C(C1COCC1)O AK-44786 [1,0,0,1,0,0|1,0,1]=4 149 B8R1.7 O=C([C@H]1COCC1)O AK-30108 [1,0,0,1,0,0|1,0,1]=4 150 B8R1.22 N1CCCC(CC1)=O AK-26041 [1,0,0,1,0,0|1,0,1]=4 151 B8R1.22 O=C1C=CCCCC1 AK-88461 [1,0,0,1,0,0|1,0,1]=4 152 B8R1.22 O=C1NCCOCC1 AK158455 [1,0,0,1,0,0|1,0,1]=4 153 B8R1.11 O=C1C(CC)CCC1 AK112291 [1,0,0,1,0,0|1,0,1]=4 154 B8R1.11 O=C1N(CC)CCC1 AK106210 [1,0,0,1,0,0|1,0,1]=4 155 B8R1.5 O=C1C(CCCC1)=O AK-46655 [0,0,0,1,1,0|1,0,0]=3 156 B8R1.54 OC(=O)C(=O)C1CC1 AK110685 [0,0,0,1,1,0|2,0,0]=4 157 B10R1.64 CC(OC1C(NCC1)=O)=O AK146052 [0,0,0,1,0,1|1,0,0]=3 158 B10R1.64 O=C(O)CN1CCNC1=O AK-89601 [0,0,0,1,0,1|2,0,0]=4 159 B10R1.64 O=C1CCCN1CC(=O)O AK-35555 [0,0,0,1,0,1|2,0,0]=4 160 B10R1.64 O=C1N(CCC1)CC(N)=O AK326212 [0,0,0,1,0,1|2,0,0]=4 161 B10R1.113 O=C(C1CC(NCC1)=O)O AK-51685 [0,0,0,1,0,1|2,0,0]=4 162 B10R1.113 O=C1N[C@H]([C@@](O)=O)CCC1 AK-44820 [0,0,0,1,0,1|2,0,0]=4 163 B10R1.113 OC(=O)C1CCCC(=O)C1 AK-64002 [0,0,0,1,0,1|2,0,0]=4 164 B10R1.140 O=C(C1CC(C1)=O)OCC AK-68248 [0,0,0,1,0,1|0,0,0]=2 165 B10R1.140 O=C(C1CC(O)C1)OCC AK-51687 [0,0,0,1,0,1|0,0,2]=4 166 B10R1.140 O=C([C@H]1C[C@@H](N)C1)OCC AK132734 [0,0,0,1,0,1|1,0,1]=4 167 B10R1.25 C(C)C1CNC(CC1=O)=O AK-24496 [0,1,0,1,0,0|1,0,0]=3 168 B10R1.134 C1(CC1)C(CC(=O)OC)=O AK-34681 [0,1,0,1,0,0|1,0,0]=3 169 B10R1.135 O=C(C1C(C=O)C1)OCC AK159087 [0,1,0,1,0,0|0,0,1]=3 170 B10R1.137 O=C(OCC)\C=C/1COC1 AK-80577 [0,1,0,1,0,0|0,0,2]=4 171 B10R1.149 COC(=O)C1CCNC1=O AK101744 [0,1,0,1,0,0|1,0,0]=3 172 B10R1.149 COC(=O)C1CCOC1=O AK-72749 [0,1,0,1,0,0|0,0,0]=2 173 B10R1.149 COC(=O)C1COCC1=O AK-67873 [0,1,0,1,0,0|2,0,0]=4 174 B10R1.149 COC(=O)C1SCCC1=O AK-79090 [0,1,0,1,0,0|2,0,0]=4 175 B10R1.149 O=C(C1C(CCC1)=O)OC AK-39183 [0,1,0,1,0,0|1,0,0]=3 176 B10R1.329 CC1(C)CC(=O)NC(=O)C1 AK-80204 [0,1,0,1,0,0|2,0,0]=4 177 B10R1.329 O=C1CC(CC(C)(C)C1)=O AK-33057 [0,1,0,1,0,0|1,0,0]=3 178 B6R0.3 CC(N(CC)C)=O AK149250 [1,0,0,0,1,0|2,0,0]=4 179 B6R0.3 CC(N)C(OC)=O AK-48822 [1,0,0,0,1,0|1,0,1]=4 180 B6R0.3 CCC(=O)C(O)=O AK-48379 [1,0,0,0,1,0|1,0,0]=3 181 B6R0.3 CCC(N(C)C)=O AK105976 [1,0,0,0,1,0|2,0,0]=4 182 B6R0.3 N[C@@H](C)C(OC)=O AK-46616 [1,0,0,0,1,0|1,0,1]=4 183 B6R0.3 N[C@H](C)C(OC)=O AK-49396 [1,0,0,0,1,0|1,0,1]=4 184 B6R0.3 O=C([O-])C(OC)=O AK670985 [1,0,0,0,1,0|1,0,0]=3 185 B10R0.3 CCOC(=O)CCCC(C)=C AK103346 [0,0,0,0,0,2|1,0,0]=3 186 B10R0.3 O=C(O)CCCC(OCC)=O AK486985 [0,0,0,0,0,2|1,0,0]=3