0 B8R0.2 CCC(C)C(N)C(=O)O CS-1225312 [0,0,0,0,0,0|0,0,0]=0 1 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O CS-0011133 [0,0,0,0,0,0|0,0,0]=0 2 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O CS-W009266 [0,0,0,0,0,0|0,0,0]=0 3 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O CS-W013422 [0,0,0,0,0,0|0,0,0]=0 4 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O CS-W018502 [0,0,0,0,0,0|0,0,0]=0 5 B8R0.2 COC(=O)C(C)C(=O)O CS-0072824 [0,0,0,0,0,0|3,0,1]=4 6 B8R0.2 CO[C@@H](C)[C@@H](N)C(=O)O CS-0043555 [0,0,0,0,0,0|1,0,0]=1 7 B8R0.2 O=C(O)[C@H](O)[C@H](O)CO CS-0064614 [0,0,0,0,0,0|3,0,0]=3 8 B8R0.2 O=C([O-])[C@H](O)[C@@H](O)CO CS-0140508 [0,0,0,0,0,0|3,0,1]=4 9 B8R0.2 [C@@H](N)(C(=O)O)[C@@H](C)OC CS-W008464 [0,0,0,0,0,0|1,0,0]=1 10 B7R0.2 CCC(=O)CC(C)=O CS-W023089 [1,0,0,0,0,0|2,0,1]=4 11 B7R0.2 CCC(C)CC(=O)O CS-W011229 [1,0,0,0,0,0|0,0,0]=1 12 B7R0.2 CCC(C)CC(C)N CS-W016309 [1,0,0,0,0,0|2,0,1]=4 13 B7R0.2 CCC(C)OC(=S)S CS-0182625 [1,0,0,0,0,0|1,2,0]=4 14 B7R0.2 CCC(N)CC(=O)O CS-W021843 [1,0,0,0,0,0|1,0,0]=2 15 B7R0.2 CCN(C)CC(=O)O CS-0144155 [1,0,0,0,0,0|1,0,0]=2 16 B7R0.2 CC[C@H](C)CC(=O)O CS-W002937 [1,0,0,0,0,0|0,0,0]=1 17 B7R0.2 CNC(=O)CC(=O)O CS-0139438 [1,0,0,0,0,0|2,0,1]=4 18 B7R0.2 COC(=O)CC(=O)O CS-W007829 [1,0,0,0,0,0|2,0,1]=4 19 B7R0.2 N[C@@H](CO)CC(=O)O CS-W006063 [1,0,0,0,0,0|2,0,0]=3 20 B7R0.2 N[C@H](CO)CC(=O)O CS-W021172 [1,0,0,0,0,0|2,0,0]=3 21 B7R0.2 [C@H](O)(CN)CC(=O)O CS-W005749 [1,0,0,0,0,0|2,0,0]=3 22 B7R0.5 C#CCC(N)C(=O)O CS-W020864 [1,0,0,0,0,0|0,0,2]=3 23 B7R0.5 C#CC[C@@H](N)C(=O)O CS-W006437 [1,0,0,0,0,0|0,0,2]=3 24 B7R0.5 C#CC[C@H](N)C(=O)O CS-0101207 [1,0,0,0,0,0|0,0,2]=3 25 B7R0.5 C#CC[C@H](N)C(=O)O CS-W006064 [1,0,0,0,0,0|0,0,2]=3 26 B7R0.5 C=CCC(C)C(=O)O CS-W013638 [1,0,0,0,0,0|1,0,2]=4 27 B7R0.5 C=CCC(N)C(=O)O CS-0060001 [1,0,0,0,0,0|0,0,2]=3 28 B7R0.5 C=CC[C@H](N)C(=O)O CS-W013622 [1,0,0,0,0,0|0,0,2]=3 29 B7R0.5 C=CC[C@H](N)C(=O)O CS-W016311 [1,0,0,0,0,0|0,0,2]=3 30 B7R0.5 CCCC(=O)C(C)=O CS-0258819 [1,0,0,0,0,0|2,0,1]=4 31 B7R0.5 CCCC(C)C(=O)O CS-W011232 [1,0,0,0,0,0|1,0,0]=2 32 B7R0.5 CCCC(N)C(=O)O CS-W011226 [1,0,0,0,0,0|0,0,0]=1 33 B7R0.5 CCC[C@@H](N)C(=O)O CS-0015963 [1,0,0,0,0,0|0,0,0]=1 34 B7R0.5 CCC[C@H](N)C(=O)O CS-D1371 [1,0,0,0,0,0|0,0,0]=1 35 B7R0.5 CCC[C@H](O)C(=O)O CS-W007126 [1,0,0,0,0,0|1,0,0]=2 36 B7R0.5 CCOC(=O)C(=O)O CS-W018770 [1,0,0,0,0,0|2,0,1]=4 37 B7R0.5 CC\C=C(/C)C(=O)O CS-0031404 [1,0,0,0,0,0|1,0,2]=4 38 B7R0.5 CC\C=C(/C)C(=O)O CS-W011249 [1,0,0,0,0,0|1,0,2]=4 39 B7R0.5 CNC[C@H](N)C(=O)O CS-W016262 [1,0,0,0,0,0|1,0,0]=2 40 B7R0.5 CNC[C@H](O)C(=O)O CS-1135890 [1,0,0,0,0,0|2,0,0]=3 41 B7R0.5 COCC(Br)C(=O)O CS-0197352 [1,0,0,0,0,0|2,0,0]=3 42 B7R0.5 COCC(N)C(=O)O CS-W013587 [1,0,0,0,0,0|1,0,0]=2 43 B7R0.5 COC[C@@H](N)C(=O)O CS-0031341 [1,0,0,0,0,0|1,0,0]=2 44 B7R0.5 COC[C@@H](N)C(=O)O CS-M1253 [1,0,0,0,0,0|1,0,0]=2 45 B7R0.5 COC[C@H](N)C(=O)O CS-0031368 [1,0,0,0,0,0|1,0,0]=2 46 B7R0.5 COC[C@H](N)C(=O)O CS-W006151 [1,0,0,0,0,0|1,0,0]=2 47 B7R0.5 CSCC(N)C(=O)O CS-0071070 [1,0,0,0,0,0|1,0,0]=2 48 B7R0.5 CSC[C@@H](N)C(=O)O CS-0804731 [1,0,0,0,0,0|1,0,0]=2 49 B7R0.5 CSC[C@H](N)C(=O)O CS-7653 [1,0,0,0,0,0|1,0,0]=2 50 B7R0.5 C[Se]C[C@H](N)C(=O)O CS-0080570 [1,0,0,0,0,0|1,0,0]=2 51 B7R0.5 N#CC[C@H](N)C(=O)O CS-0099303 [1,0,0,0,0,0|1,0,1]=3 52 B7R0.5 NC(CCO)C(=O)O CS-W013586 [1,0,0,0,0,0|1,0,0]=2 53 B7R0.5 NC(CCS)C(=O)O CS-W021561 [1,0,0,0,0,0|1,0,0]=2 54 B7R0.5 NCCC(F)C(=O)O CS-0094454 [1,0,0,0,0,0|2,0,0]=3 55 B7R0.5 NCCC(N)C(=O)O CS-W010735 [1,0,0,0,0,0|1,0,0]=2 56 B7R0.5 NCC[C@H](N)C(=O)O CS-0169369 [1,0,0,0,0,0|1,0,0]=2 57 B7R0.5 NCC[C@H](N)C(=O)O CS-6314 [1,0,0,0,0,0|1,0,0]=2 58 B7R0.5 NCC[C@H](O)C(=O)O CS-W002667 [1,0,0,0,0,0|2,0,0]=3 59 B7R0.5 N[C@@H](CCO)C(=O)O CS-W002292 [1,0,0,0,0,0|1,0,0]=2 60 B7R0.5 N[C@@H](CCS)C(=O)O CS-W011063 [1,0,0,0,0,0|1,0,0]=2 61 B7R0.5 N[C@H](CCO)C(=O)O CS-W011215 [1,0,0,0,0,0|1,0,0]=2 62 B7R0.5 [C@@H](N)(CC=C)C(=O)O CS-W013623 [1,0,0,0,0,0|0,0,2]=3 63 B7R0.5 [C@H](N)(CCN)C(=O)O CS-W010734 [1,0,0,0,0,0|1,0,0]=2 64 B7R0.10 O=C[C@H](O)[C@H](O)CO CS-0066906 [1,0,0,0,0,0|3,0,0]=4 65 B7R0.10 [C@H](C)(CC)[C@H](N)CO CS-W016591 [1,0,0,0,0,0|0,0,1]=2 66 B7R0.16 CC(=O)C(N)C(C)=O CS-0216785 [1,0,0,0,0,0|2,0,1]=4 67 B7R0.16 CC(C)C(=O)C(=O)O CS-W006057 [1,0,0,0,0,0|1,0,1]=3 68 B7R0.16 CC(C)C(Br)C(=O)O CS-0498321 [1,0,0,0,0,0|1,0,0]=2 69 B7R0.16 CC(C)C(C)C(=O)O CS-0138076 [1,0,0,0,0,0|1,0,0]=2 70 B7R0.16 CC(C)C(Cl)C(=O)O CS-0343571 [1,0,0,0,0,0|1,0,0]=2 71 B7R0.16 CC(C)C(N)C(=O)O CS-W013605 [1,0,0,0,0,0|0,0,0]=1 72 B7R0.16 CC(C)C(O)C(=O)O CS-W008150 [1,0,0,0,0,0|1,0,0]=2 73 B7R0.16 CC(C)[C@@H](Br)C(=O)O CS-W017175 [1,0,0,0,0,0|1,0,0]=2 74 B7R0.16 CC(C)[C@@H](N)C(=O)O CS-0010218 [1,0,0,0,0,0|0,0,0]=1 75 B7R0.16 CC(C)[C@@H](N)C(N)=O CS-W002589 [1,0,0,0,0,0|1,0,0]=2 76 B7R0.16 CC(C)[C@@H](O)C(=O)O CS-B0167 [1,0,0,0,0,0|1,0,0]=2 77 B7R0.16 CC(C)[C@H](Cl)C(=O)O CS-0198767 [1,0,0,0,0,0|1,0,0]=2 78 B7R0.16 CC(C)[C@H](N)C(=O)O CS-W020706 [1,0,0,0,0,0|0,0,0]=1 79 B7R0.16 CC(C)[C@H](N)C(N)=O CS-W008135 [1,0,0,0,0,0|1,0,0]=2 80 B7R0.16 CC(C)[C@H](O)C(=O)O CS-0000171 [1,0,0,0,0,0|1,0,0]=2 81 B7R0.16 CC(O)C(C)C(=O)O CS-0116129 [1,0,0,0,0,0|2,0,0]=3 82 B7R0.16 C[C@@H](C(=O)O)N(C)C CS-0158278 [1,0,0,0,0,0|2,0,0]=3 83 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O CS-W001959 [1,0,0,0,0,0|1,0,0]=2 84 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O CS-W020046 [1,0,0,0,0,0|1,0,0]=2 85 B7R0.16 C[C@@H](O)[C@H](N)C(N)=O CS-W021072 [1,0,0,0,0,0|2,0,0]=3 86 B7R0.16 C[C@H](C(=O)O)N(C)C CS-0158218 [1,0,0,0,0,0|2,0,0]=3 87 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O CS-W013590 [1,0,0,0,0,0|1,0,0]=2 88 B7R0.16 [C@@H](C)(O)[C@H](N)C(=O)O CS-W008315 [1,0,0,0,0,0|1,0,0]=2 89 B9R0.6 CCC[C@@H](N)C(O)C(N)=O CS-M1863 [0,1,0,0,0,0|3,0,0]=4 90 B9R0.27 CCC(=O)C(F)C(=O)OC CS-M3568 [0,1,0,0,0,0|2,0,1]=4 91 B9R0.27 CCC(C)C(=O)C(=O)O[Na] CS-W018102 [0,1,0,0,0,0|1,0,1]=3 92 B9R0.27 CC[C@H](C)[C@H](N)C(=O)OC CS-W017139 [0,1,0,0,0,0|0,0,0]=1 93 B9R0.27 COC(=O)C(N)C(=O)OC CS-0132445 [0,1,0,0,0,0|2,0,1]=4 94 B9R0.27 COC(=O)[C@@H](Br)[C@H](O)CBr CS-0135565 [0,1,0,0,0,0|3,0,0]=4 95 B9R0.29 CC[C@H](C)[C@H](NC)C(=O)O CS-W018249 [0,1,0,0,0,0|0,0,0]=1 96 B9R0.79 CC(C(=O)O)C(C)C(=O)O CS-0217793 [0,1,0,0,0,0|2,0,1]=4 97 B9R0.79 C[C@H](C(=O)O)[C@@H](C)C(=O)O CS-0037182 [0,1,0,0,0,0|2,0,1]=4 98 B9R0.79 C[C@H](O)[C@H](C)[C@H](N)C(=O)O CS-W010987 [0,1,0,0,0,0|0,0,0]=1 99 B9R1.37 CC1=C(O)C(=O)OC1C CS-0035224 [0,0,0,1,0,0|1,0,2]=4 100 B9R1.41 CC1CCCC1C(=O)O CS-0047145 [0,0,0,1,0,0|1,0,0]=2 101 B9R1.41 CC1CNCC1C(=O)O CS-0460956 [0,0,0,1,0,0|2,0,0]=3 102 B9R1.41 CN1CCCC1C(=O)O CS-B1576 [0,0,0,1,0,0|2,0,0]=3 103 B9R1.41 CN1CCC[C@@H]1C(=O)O CS-W001861 [0,0,0,1,0,0|2,0,0]=3 104 B9R1.41 CN1CCC[C@@H]1C(=O)O CS-W001913 [0,0,0,1,0,0|2,0,0]=3 105 B9R1.41 CN1CCC[C@H]1C(=O)O CS-B1517 [0,0,0,1,0,0|2,0,0]=3 106 B9R1.41 CN1CCC[C@H]1C(N)=O CS-0162641 [0,0,0,1,0,0|3,0,0]=4 107 B9R1.41 CN1CSCC1C(=O)O CS-0597627 [0,0,0,1,0,0|3,0,0]=4 108 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O CS-0120592 [0,0,0,1,0,0|2,0,0]=3 109 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O CS-0130164 [0,0,0,1,0,0|2,0,0]=3 110 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O CS-0130633 [0,0,0,1,0,0|2,0,0]=3 111 B9R1.41 O=C(O)C1NCCC1O CS-0465857 [0,0,0,1,0,0|1,0,0]=2 112 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O CS-0058698 [0,0,0,1,0,0|1,0,0]=2 113 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O CS-0184644 [0,0,0,1,0,0|1,0,0]=2 114 B9R1.41 [C@H]1(O)CCN[C@@H]1C(=O)O CS-W006575 [0,0,0,1,0,0|1,0,0]=2 115 B9R1.110 NC(C(=O)O)C1CCC1 CS-D0010 [0,0,0,1,0,0|0,0,0]=1 116 B9R1.110 N[C@@H](C(=O)O)C1CCC1 CS-0053495 [0,0,0,1,0,0|0,0,0]=1 117 B9R1.110 N[C@@H](C(=O)O)C1COC1 CS-0043570 [0,0,0,1,0,0|1,0,0]=2 118 B9R1.110 N[C@H](C(=O)O)C1CCC1 CS-W021160 [0,0,0,1,0,0|0,0,0]=1 119 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O CS-W017140 [0,0,0,0,0,1|0,0,0]=1 120 B9R0.23 COC(=O)C(N)CC(=O)O CS-0101210 [0,0,0,0,0,1|2,0,1]=4 121 B9R0.23 COC(=O)[C@@H](N)CC(=O)O CS-W018215 [0,0,0,0,0,1|2,0,1]=4 122 B9R0.23 COC(=O)[C@H](N)CC(=O)O CS-0128336 [0,0,0,0,0,1|2,0,1]=4 123 B9R0.42 CNC(=O)CC(N)C(=O)O CS-0151055 [0,0,0,0,0,1|2,0,1]=4 124 B9R0.42 CNC(=O)C[C@H](N)C(=O)O CS-0151060 [0,0,0,0,0,1|2,0,1]=4 125 B9R0.42 COC(=O)CC(N)C(=O)O CS-0079863 [0,0,0,0,0,1|2,0,1]=4 126 B9R0.42 COC(=O)C[C@@H](N)C(=O)O CS-0135221 [0,0,0,0,0,1|2,0,1]=4 127 B9R0.42 COC(=O)C[C@H](N)C(=O)O CS-0019407 [0,0,0,0,0,1|2,0,1]=4 128 B9R0.42 COC(=O)C[C@H](N)C(=O)O CS-0131131 [0,0,0,0,0,1|2,0,1]=4 129 B6R0.1 CC(CO)CCO CS-0517219 [2,0,0,0,0,0|1,0,1]=4 130 B6R0.1 CCCC(N)C#N CS-0255763 [2,0,0,0,0,0|1,0,1]=4 131 B6R0.1 CCCC(O)CO CS-0017222 [2,0,0,0,0,0|1,0,1]=4 132 B6R0.1 CCC[C@H](N)CO CS-M1841 [2,0,0,0,0,0|0,0,1]=3 133 B6R0.1 CCC[C@H](N)CO CS-M2256 [2,0,0,0,0,0|0,0,1]=3 134 B6R0.1 COC(C)CCO CS-W013686 [2,0,0,0,0,0|1,0,1]=4 135 B6R0.1 COCC(N)CO CS-0106469 [2,0,0,0,0,0|1,0,1]=4 136 B6R0.2 CC(=O)CN(C)C CS-0204530 [2,0,0,0,0,0|2,0,0]=4 137 B6R0.2 CC(=O)C[C@@H](C)N CS-0434876 [2,0,0,0,0,0|2,0,0]=4 138 B6R0.2 CC(=O)NC(C)C CS-M3536 [2,0,0,0,0,0|2,0,0]=4 139 B6R0.2 CC(C)=CC(=O)O CS-W011327 [2,0,0,0,0,0|0,0,2]=4 140 B6R0.2 CC(C)CB(O)O CS-W000978 [2,0,0,0,0,0|1,0,1]=4 141 B6R0.2 CC(C)CC(=O)O CS-0881782 [2,0,0,0,0,0|0,0,0]=2 142 B6R0.2 CC(C)CC(=O)O CS-W013696 [2,0,0,0,0,0|0,0,0]=2 143 B6R0.2 CC(C)CC(N)=S CS-0642935 [2,0,0,0,0,0|1,1,0]=4 144 B6R0.2 CC(C)C[C@H](C)O CS-0237477 [2,0,0,0,0,0|1,0,1]=4 145 B6R0.2 CC(C)NC(N)=O CS-0162822 [2,0,0,0,0,0|2,0,0]=4 146 B6R0.2 CC(C)OC(N)=O CS-0119929 [2,0,0,0,0,0|2,0,0]=4 147 B6R0.2 CC(N)CC(=O)O CS-W009549 [2,0,0,0,0,0|1,0,0]=3 148 B6R0.2 CC(O)CC(=O)O CS-0062335 [2,0,0,0,0,0|1,0,0]=3 149 B6R0.2 CC(O)CC(N)=O CS-0435186 [2,0,0,0,0,0|2,0,0]=4 150 B6R0.2 CN(C)CC(=O)O CS-D1391 [2,0,0,0,0,0|1,0,0]=3 151 B6R0.2 CN(C)CC(=O)O CS-W001158 [2,0,0,0,0,0|1,0,0]=3 152 B6R0.2 C[C@H](N)CC(=O)O CS-0031371 [2,0,0,0,0,0|1,0,0]=3 153 B6R0.2 C[C@H](N)CC(=O)O CS-W001210 [2,0,0,0,0,0|1,0,0]=3 154 B6R0.2 C[C@H](O)CC(=O)O CS-0031375 [2,0,0,0,0,0|1,0,0]=3 155 B6R0.2 [C@H](C)(N)CC(=O)O CS-0044025 [2,0,0,0,0,0|1,0,0]=3 156 B6R0.2 [C@H](C)(N)CC(=O)O CS-W005235 [2,0,0,0,0,0|1,0,0]=3 157 B6R0.2 [C@H](C)(O)CC(=O)O CS-0044101 [2,0,0,0,0,0|1,0,0]=3 158 B6R0.4 C#CCCC(=O)O CS-W008784 [2,0,0,0,0,0|0,0,2]=4 159 B6R0.4 C=CCCC(=O)O CS-W009138 [2,0,0,0,0,0|0,0,2]=4 160 B6R0.4 CC(=O)CCCCl CS-W013569 [2,0,0,0,0,0|2,0,0]=4 161 B6R0.4 CC(=O)CCCO CS-0020001 [2,0,0,0,0,0|2,0,0]=4 162 B6R0.4 CCC#CC(=O)O CS-W013726 [2,0,0,0,0,0|0,0,2]=4 163 B6R0.4 CCCCB(O)O CS-W000932 [2,0,0,0,0,0|1,0,1]=4 164 B6R0.4 CCCCC(=N)N CS-0122242 [2,0,0,0,0,0|2,0,0]=4 165 B6R0.4 CCCCC(N)=S CS-0248646 [2,0,0,0,0,0|1,1,0]=4 166 B6R0.4 CCCCS(=O)[O-] CS-0851776 [2,0,0,0,0,0|1,0,1]=4 167 B6R0.4 CCCC[C@@H](C)O CS-0179419 [2,0,0,0,0,0|1,0,1]=4 168 B6R0.4 CCCC[C@H](C)O CS-0179420 [2,0,0,0,0,0|1,0,1]=4 169 B6R0.4 CCCNC(C)=O CS-0246738 [2,0,0,0,0,0|2,0,0]=4 170 B6R0.4 CCCOC(N)=O CS-W019060 [2,0,0,0,0,0|2,0,0]=4 171 B6R0.4 CCNCC(=O)O CS-0201673 [2,0,0,0,0,0|1,0,0]=3 172 B6R0.4 CCOCC(=O)O CS-0071579 [2,0,0,0,0,0|1,0,0]=3 173 B6R0.4 CCSCC(=O)O CS-0197336 [2,0,0,0,0,0|1,0,0]=3 174 B6R0.4 CC\C=C\C(=O)O CS-0053528 [2,0,0,0,0,0|0,0,2]=4 175 B6R0.4 CNCCC(=O)O CS-0112815 [2,0,0,0,0,0|1,0,0]=3 176 B6R0.4 CNCCC(=O)O CS-0169148 [2,0,0,0,0,0|1,0,0]=3 177 B6R0.4 CNCCC(N)=O CS-0214971 [2,0,0,0,0,0|2,0,0]=4 178 B6R0.4 COCCC(=O)O CS-W009112 [2,0,0,0,0,0|1,0,0]=3 179 B6R0.4 CSCCC(=O)O CS-6296 [2,0,0,0,0,0|1,0,0]=3 180 B6R0.4 CSCCC(C)=O CS-0206726 [2,0,0,0,0,0|2,0,0]=4 181 B6R0.4 C\C=C\CC(=O)O CS-0129103 [2,0,0,0,0,0|0,0,2]=4 182 B6R0.4 N#CCCC(=O)O CS-W018565 [2,0,0,0,0,0|1,0,1]=4 183 B6R0.4 NCCCC(=O)O CS-W020704 [2,0,0,0,0,0|1,0,0]=3 184 B6R0.4 NCCCC(N)=O CS-0103894 [2,0,0,0,0,0|2,0,0]=4 185 B6R0.4 O=C(O)CCCBr CS-W016047 [2,0,0,0,0,0|1,0,0]=3 186 B6R0.4 O=C(O)CCCCl CS-W013545 [2,0,0,0,0,0|1,0,0]=3 187 B6R0.3 C=C[C@@H](N)C(=O)O CS-0131608 [2,0,0,0,0,0|0,0,2]=4 188 B6R0.3 C=C[C@H](N)C(=O)O CS-D0476 [2,0,0,0,0,0|0,0,2]=4 189 B6R0.3 CC(C)C(N)C#N CS-0255764 [2,0,0,0,0,0|1,0,1]=4 190 B6R0.3 CC(C)C(N)CO CS-W004906 [2,0,0,0,0,0|0,0,1]=3 191 B6R0.3 CC(C)[C@@H](N)CO CS-D0610 [2,0,0,0,0,0|0,0,1]=3 192 B6R0.3 CC(C)[C@H](N)CO CS-W020370 [2,0,0,0,0,0|0,0,1]=3 193 B6R0.3 CC(CBr)C(=O)O CS-W016048 [2,0,0,0,0,0|2,0,0]=4 194 B6R0.3 CC(CN)C(=O)O CS-W013690 [2,0,0,0,0,0|2,0,0]=4 195 B6R0.3 CCC(=O)C(=O)O CS-W007926 [2,0,0,0,0,0|1,0,1]=4 196 B6R0.3 CCC(Br)C(N)=O CS-0152635 [2,0,0,0,0,0|1,0,1]=4 197 B6R0.3 CCC(C)B(O)O CS-W011315 [2,0,0,0,0,0|2,0,0]=4 198 B6R0.3 CCC(N)C(=O)O CS-W011306 [2,0,0,0,0,0|0,0,0]=2 199 B6R0.3 CCC(N)C(N)=O CS-0197483 [2,0,0,0,0,0|1,0,0]=3 200 B6R0.3 CCC(O)C(N)=O CS-0232591 [2,0,0,0,0,0|1,0,1]=4 201 B6R0.3 CC[C@@H](Br)C(=O)O CS-0142640 [2,0,0,0,0,0|1,0,0]=3 202 B6R0.3 CC[C@@H](C)C(=O)O CS-0130653 [2,0,0,0,0,0|1,0,0]=3 203 B6R0.3 CC[C@@H](N)C(=O)O CS-D1130 [2,0,0,0,0,0|0,0,0]=2 204 B6R0.3 CC[C@@H](N)C(N)=O CS-0011806 [2,0,0,0,0,0|1,0,0]=3 205 B6R0.3 CC[C@@H](O)C(=O)O CS-0107851 [2,0,0,0,0,0|1,0,0]=3 206 B6R0.3 CC[C@H](Br)C(=O)O CS-0188297 [2,0,0,0,0,0|1,0,0]=3 207 B6R0.3 CC[C@H](C)C(=O)O CS-0120626 [2,0,0,0,0,0|1,0,0]=3 208 B6R0.3 CC[C@H](N)C(=O)O CS-0044026 [2,0,0,0,0,0|0,0,0]=2 209 B6R0.3 CC[C@H](N)C(N)=O CS-0011803 [2,0,0,0,0,0|1,0,0]=3 210 B6R0.3 CC[C@H](N)C(N)=O CS-B0864 [2,0,0,0,0,0|1,0,0]=3 211 B6R0.3 CC[C@H](N)[C@@H](C)O CS-0183871 [2,0,0,0,0,0|1,0,1]=4 212 B6R0.3 CC[C@H](O)C(=O)O CS-W019285 [2,0,0,0,0,0|1,0,0]=3 213 B6R0.3 CNC(C)C(=O)O CS-W011307 [2,0,0,0,0,0|2,0,0]=4 214 B6R0.3 CN[C@H](C)C(=O)O CS-0094542 [2,0,0,0,0,0|2,0,0]=4 215 B6R0.3 COC(C)C(=O)O CS-W004806 [2,0,0,0,0,0|2,0,0]=4 216 B6R0.3 CO[C@@H](C)C(=O)O CS-D0537 [2,0,0,0,0,0|2,0,0]=4 217 B6R0.3 C[C@@H](CN)C(=O)O CS-0059829 [2,0,0,0,0,0|2,0,0]=4 218 B6R0.3 C[C@@H](CN)C(=O)O CS-0062338 [2,0,0,0,0,0|2,0,0]=4 219 B6R0.3 C[C@H](CN)C(=O)O CS-0059837 [2,0,0,0,0,0|2,0,0]=4 220 B6R0.3 C[C@H](CN)C(=O)O CS-0444634 [2,0,0,0,0,0|2,0,0]=4 221 B6R0.3 NC(=O)[C@@H](N)CO CS-W008254 [2,0,0,0,0,0|2,0,0]=4 222 B6R0.3 NC(=O)[C@H](N)CO CS-0158516 [2,0,0,0,0,0|2,0,0]=4 223 B6R0.3 NC(CO)C(=O)O CS-0015292 [2,0,0,0,0,0|1,0,0]=3 224 B6R0.3 NC(CS)C(=O)O CS-0201576 [2,0,0,0,0,0|1,0,0]=3 225 B6R0.3 NC(CS)C(=O)O CS-W013566 [2,0,0,0,0,0|1,0,0]=3 226 B6R0.3 NC(CS)C(=O)O CS-W014367 [2,0,0,0,0,0|1,0,0]=3 227 B6R0.3 NC(CS)C(=O)O CS-W017432 [2,0,0,0,0,0|1,0,0]=3 228 B6R0.3 NCC(F)C(=O)O CS-W011291 [2,0,0,0,0,0|2,0,0]=4 229 B6R0.3 NCC(N)C(=O)O CS-0130703 [2,0,0,0,0,0|1,0,0]=3 230 B6R0.3 NCC(N)C(=O)O CS-W014390 [2,0,0,0,0,0|1,0,0]=3 231 B6R0.3 NCC(O)C(=O)O CS-W013682 [2,0,0,0,0,0|2,0,0]=4 232 B6R0.3 NC[C@@H](N)C(=O)O CS-0311806 [2,0,0,0,0,0|1,0,0]=3 233 B6R0.3 NC[C@@H](N)C(=O)O CS-W011028 [2,0,0,0,0,0|1,0,0]=3 234 B6R0.3 NC[C@@H](O)C(=O)O CS-0105320 [2,0,0,0,0,0|2,0,0]=4 235 B6R0.3 NC[C@H](N)C(=O)O CS-W014389 [2,0,0,0,0,0|1,0,0]=3 236 B6R0.3 N[C@@H](CCl)C(=O)O CS-7792 [2,0,0,0,0,0|1,0,0]=3 237 B6R0.3 N[C@@H](CO)C(=O)O CS-0201873 [2,0,0,0,0,0|1,0,0]=3 238 B6R0.3 N[C@@H](CO)C(=O)O CS-W020136 [2,0,0,0,0,0|1,0,0]=3 239 B6R0.3 N[C@@H](CS)C(=O)O CS-W009027 [2,0,0,0,0,0|1,0,0]=3 240 B6R0.3 N[C@@H](CS)C(=O)O CS-W017431 [2,0,0,0,0,0|1,0,0]=3 241 B6R0.3 N[C@@H](CS)C(=O)O CS-W018517 [2,0,0,0,0,0|1,0,0]=3 242 B6R0.3 N[C@H](CCl)C(=O)O CS-0100201 [2,0,0,0,0,0|1,0,0]=3 243 B6R0.3 N[C@H](CCl)C(=O)O CS-W016173 [2,0,0,0,0,0|1,0,0]=3 244 B6R0.3 N[C@H](CO)C(=O)O CS-D1751 [2,0,0,0,0,0|1,0,0]=3 245 B6R0.3 N[C@H](CS)C(=O)O CS-W002074 [2,0,0,0,0,0|1,0,0]=3 246 B6R0.3 N[C@H](CS)C(=O)O CS-W019341 [2,0,0,0,0,0|1,0,0]=3 247 B6R0.3 O=C(O)C(O)CCl CS-0186802 [2,0,0,0,0,0|2,0,0]=4 248 B6R0.3 O=C(O)C(O)CO CS-W018821 [2,0,0,0,0,0|2,0,0]=4 249 B6R0.3 [C@@H](C)(NC)C(=O)O CS-W016642 [2,0,0,0,0,0|2,0,0]=4 250 B6R0.3 [C@@H](C)(O)[C@@H](N)CO CS-W008521 [2,0,0,0,0,0|1,0,1]=4 251 B6R0.3 [C@H](C)(O)[C@H](N)CO CS-W013681 [2,0,0,0,0,0|1,0,1]=4 252 B6R0.3 [C@H](C)(OC)C(=O)O CS-0044100 [2,0,0,0,0,0|2,0,0]=4 253 B6R0.3 [C@H](N)(CC)C(=O)O CS-W011305 [2,0,0,0,0,0|0,0,0]=2 254 B6R0.3 [C@H](O)(CN)C(=O)O CS-W013683 [2,0,0,0,0,0|2,0,0]=4 255 B8R0.5 CCC[C@H](N)CC(=O)O CS-0152590 [1,1,0,0,0,0|1,0,0]=3 256 B8R0.5 CCC[C@H](N)CC(=O)O CS-0678068 [1,1,0,0,0,0|1,0,0]=3 257 B8R0.5 CCC\C(C)=C\C(=O)O CS-0072967 [1,1,0,0,0,0|0,0,2]=4 258 B8R0.5 CCOC(=O)CC(=O)O CS-0016016 [1,1,0,0,0,0|1,0,1]=4 259 B8R0.5 COCC(C)OC(C)=O CS-0198137 [1,1,0,0,0,0|2,0,0]=4 260 B8R0.16 CCN(CC)CC(=O)O CS-0044402 [1,1,0,0,0,0|1,0,0]=3 261 B8R0.16 COC(CC(=O)O)OC CS-0372688 [1,1,0,0,0,0|1,0,0]=3 262 B8R0.16 COC(CC(C)=O)OC CS-0008327 [1,1,0,0,0,0|2,0,0]=4 263 B8R0.19 CCC(=O)CC(=O)OC CS-W011110 [1,1,0,0,0,0|1,0,1]=4 264 B8R0.19 CC[C@@H](O)CC(=O)OC CS-0852565 [1,1,0,0,0,0|1,0,0]=3 265 B8R0.19 CNC(C)CC(=O)OC CS-0124917 [1,1,0,0,0,0|1,0,0]=3 266 B8R0.19 COC(=O)N[C@@H](C)CN CS-0010956 [1,1,0,0,0,0|2,0,0]=4 267 B8R0.23 CC(=O)N(C)CC(=O)O CS-0169319 [1,1,0,0,0,0|1,0,1]=4 268 B8R0.23 CC(C)C(N)CC(=O)O CS-W013424 [1,1,0,0,0,0|1,0,0]=3 269 B8R0.23 CC(C)[C@@H](N)CC(=O)O CS-0038681 [1,1,0,0,0,0|1,0,0]=3 270 B8R0.23 CC(C)[C@H](N)CC(=O)O CS-0039103 [1,1,0,0,0,0|1,0,0]=3 271 B8R0.23 CC(CC(=O)O)C(=O)O CS-W011097 [1,1,0,0,0,0|1,0,1]=4 272 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O CS-0201887 [1,1,0,0,0,0|1,0,0]=3 273 B8R0.23 [C@H](N)(CC(=O)O)C(C)C CS-W005787 [1,1,0,0,0,0|1,0,0]=3 274 B8R0.34 CSC(C)(C)CC(C)=O CS-0199050 [1,1,0,0,0,0|2,0,0]=4 275 B8R0.3 C#CC[C@H](N)C(=O)OC CS-0180948 [1,1,0,0,0,0|0,0,2]=4 276 B8R0.3 CCCC(N)C(=O)OC CS-0152454 [1,1,0,0,0,0|0,0,0]=2 277 B8R0.3 CCC[C@H](N)C(=O)OC CS-0152592 [1,1,0,0,0,0|0,0,0]=2 278 B8R0.3 COC(=O)C(C)CCCl CS-0205287 [1,1,0,0,0,0|2,0,0]=4 279 B8R0.3 COC(=O)[C@@H](N)CSC CS-0654810 [1,1,0,0,0,0|1,0,0]=3 280 B8R0.3 COC[C@@H](N)C(=O)OC CS-0162497 [1,1,0,0,0,0|1,0,0]=3 281 B8R0.8 C=CCC[C@@H](N)C(=O)O CS-0100555 [1,1,0,0,0,0|0,0,1]=3 282 B8R0.8 C=CCC[C@H](N)C(=O)O CS-0100618 [1,1,0,0,0,0|0,0,1]=3 283 B8R0.8 CCCCC(=O)C(=O)O CS-0069654 [1,1,0,0,0,0|1,0,1]=4 284 B8R0.8 CCCCC(N)C(=O)O CS-W013425 [1,1,0,0,0,0|0,0,0]=2 285 B8R0.8 CCCCC(O)C(=O)O CS-M0542 [1,1,0,0,0,0|1,0,0]=3 286 B8R0.8 CCCC[C@@H](N)C(=O)O CS-0019200 [1,1,0,0,0,0|0,0,0]=2 287 B8R0.8 CCCC[C@H](N)C(=O)O CS-W020710 [1,1,0,0,0,0|0,0,0]=2 288 B8R0.8 CSCCC(N)C(=O)O CS-0008889 [1,1,0,0,0,0|0,0,0]=2 289 B8R0.8 CSCCC(O)C(=O)O CS-0066284 [1,1,0,0,0,0|1,0,0]=3 290 B8R0.8 CSCC[C@@H](N)C(=O)O CS-7880 [1,1,0,0,0,0|0,0,0]=2 291 B8R0.8 CSCC[C@H](N)C(=O)O CS-W020566 [1,1,0,0,0,0|0,0,0]=2 292 B8R0.8 CSCC[C@H](N)C(N)=O CS-W016972 [1,1,0,0,0,0|1,0,0]=3 293 B8R0.8 C[Se]CCC(N)C(=O)O CS-4494 [1,1,0,0,0,0|0,0,0]=2 294 B8R0.8 C[Se]CC[C@H](N)C(=O)O CS-5178 [1,1,0,0,0,0|0,0,0]=2 295 B8R0.8 NCCCC(N)C(=O)O CS-0136494 [1,1,0,0,0,0|0,0,0]=2 296 B8R0.8 NCCC[C@@H](N)C(=O)O CS-0020076 [1,1,0,0,0,0|0,0,0]=2 297 B8R0.8 NCCC[C@H](N)C(=O)O CS-0159620 [1,1,0,0,0,0|0,0,0]=2 298 B8R0.8 NCCC[C@H](N)C(=O)O CS-4817 [1,1,0,0,0,0|0,0,0]=2 299 B8R0.8 [C@H](N)(CCCN)C(=O)O CS-W017734 [1,1,0,0,0,0|0,0,0]=2 300 B8R0.12 C=CC[C@](C)(N)C(=O)O CS-0089888 [1,1,0,0,0,0|0,0,2]=4 301 B8R0.12 CCCC(C)(C)C(=O)O CS-0205424 [1,1,0,0,0,0|1,0,0]=3 302 B8R0.15 CCCC(CC)C(=O)O CS-0152450 [1,1,0,0,0,0|1,0,0]=3 303 B8R0.15 CCCC(CN)C(=O)O CS-0259298 [1,1,0,0,0,0|0,0,0]=2 304 B8R0.18 CC(C)[C@@H](CN)C(=O)O CS-0095544 [1,1,0,0,0,0|0,0,0]=2 305 B8R0.18 CC(C)[C@@H](CN)C(=O)O CS-0143434 [1,1,0,0,0,0|0,0,0]=2 306 B8R0.18 CC(C)[C@H](CN)C(=O)O CS-0061014 [1,1,0,0,0,0|0,0,0]=2 307 B8R0.18 CC(C)[C@H](CN)C(=O)O CS-0143436 [1,1,0,0,0,0|0,0,0]=2 308 B8R0.18 CN[C@@H](C(=O)O)C(C)C CS-0010220 [1,1,0,0,0,0|0,0,0]=2 309 B8R0.18 CN[C@H](C(=O)O)C(C)C CS-0010219 [1,1,0,0,0,0|0,0,0]=2 310 B8R0.18 CN[C@H](C(=O)O)[C@@H](C)O CS-W011082 [1,1,0,0,0,0|1,0,0]=3 311 B8R0.27 CC(C)(C)C(=O)C(=O)O CS-W005305 [1,1,0,0,0,0|1,0,1]=4 312 B8R0.27 CC(C)(C)C(N)C(=O)O CS-W002302 [1,1,0,0,0,0|0,0,0]=2 313 B8R0.27 CC(C)(C)C(O)C(=O)O CS-0378432 [1,1,0,0,0,0|1,0,0]=3 314 B8R0.27 CC(C)(C)[C@@H](N)C(=O)O CS-W001954 [1,1,0,0,0,0|0,0,0]=2 315 B8R0.27 CC(C)(C)[C@@H](O)C(=O)O CS-0436719 [1,1,0,0,0,0|1,0,0]=3 316 B8R0.27 CC(C)(C)[C@H](N)C(=O)O CS-D0917 [1,1,0,0,0,0|0,0,0]=2 317 B8R0.27 CC(C)(C)[C@H](N)C(N)=O CS-0619018 [1,1,0,0,0,0|1,0,0]=3 318 B8R0.27 CC(C)(O)[C@@H](N)C(=O)O CS-0036468 [1,1,0,0,0,0|0,0,0]=2 319 B8R0.27 CC(C)(O)[C@H](N)C(=O)O CS-W006998 [1,1,0,0,0,0|0,0,0]=2 320 B8R0.27 CC(C)(S)C(N)C(=O)O CS-W018173 [1,1,0,0,0,0|0,0,0]=2 321 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O CS-2334 [1,1,0,0,0,0|0,0,0]=2 322 B8R0.27 CC(C)(S)[C@H](N)C(=O)O CS-0063723 [1,1,0,0,0,0|0,0,0]=2 323 B8R0.27 NC(C(=O)O)C(F)(F)F CS-0059723 [1,1,0,0,0,0|2,0,0]=4 324 B8R0.27 NC(C(=O)O)C(F)(F)F CS-W018267 [1,1,0,0,0,0|2,0,0]=4 325 B8R0.37 CC(C)C(C)(N)C(=O)O CS-0154330 [1,1,0,0,0,0|0,0,0]=2 326 B8R0.37 CC(C)C(C)(N)C(N)=O CS-0019531 [1,1,0,0,0,0|1,0,0]=3 327 B8R0.37 CC(C)[C@@](C)(N)C(=O)O CS-W011102 [1,1,0,0,0,0|0,0,0]=2 328 B8R0.37 CN(C)C(C)(C)C(=O)O CS-0166674 [1,1,0,0,0,0|2,0,0]=4 329 B10R0.32 CCOC(=O)[C@@H](N)CC(=O)O CS-0671031 [0,1,0,0,0,1|1,0,1]=4 330 B10R0.39 CC(C)(CO)[C@@H](O)C(=O)O[Na] CS-0620389 [0,2,0,0,0,0|2,0,0]=4 331 B10R0.38 COC(=O)C(Br)C(OC)OC CS-0197831 [0,2,0,0,0,0|2,0,0]=4 332 B8R1.1 C=CC1COC(=O)C1 CS-B0698 [1,0,0,1,0,0|0,0,2]=4 333 B8R1.1 C=C[C@H]1COC(=O)C1 CS-0001483 [1,0,0,1,0,0|0,0,2]=4 334 B8R1.1 CCC1CCC(=O)N1 CS-0046651 [1,0,0,1,0,0|2,0,0]=4 335 B8R1.1 CCC1COC(=O)N1 CS-0447690 [1,0,0,1,0,0|1,0,0]=3 336 B8R1.1 CCC1COC(=O)O1 CS-0187002 [1,0,0,1,0,0|1,0,0]=3 337 B8R1.1 CC[C@H]1COC(=O)N1 CS-0093963 [1,0,0,1,0,0|1,0,0]=3 338 B8R1.1 NCC1CNC(=O)C1 CS-0051184 [1,0,0,1,0,0|2,0,0]=4 339 B8R1.1 O=C1CC(CO)CN1 CS-0046664 [1,0,0,1,0,0|2,0,0]=4 340 B8R1.1 O=C1CC(CO)CO1 CS-0037642 [1,0,0,1,0,0|1,0,0]=3 341 B8R1.1 O=C1CCC(CO)C1 CS-0315717 [1,0,0,1,0,0|2,0,0]=4 342 B8R1.1 O=C1NC(CO)CO1 CS-0309754 [1,0,0,1,0,0|2,0,0]=4 343 B8R1.1 O=C1N[C@@H](CF)CO1 CS-0256092 [1,0,0,1,0,0|2,0,0]=4 344 B8R1.1 O=C1N[C@@H](CI)CO1 CS-0149725 [1,0,0,1,0,0|2,0,0]=4 345 B8R1.1 O=C1N[C@@H](CO)CO1 CS-0067476 [1,0,0,1,0,0|2,0,0]=4 346 B8R1.1 O=C1N[C@H](CO)CO1 CS-0216909 [1,0,0,1,0,0|2,0,0]=4 347 B8R1.1 O=C1OCC(CO)O1 CS-0158426 [1,0,0,1,0,0|2,0,0]=4 348 B8R1.4 CC1CC(=O)CCN1 CS-0012636 [1,0,0,1,0,0|2,0,0]=4 349 B8R1.4 CC1CC(=O)CCO1 CS-W004274 [1,0,0,1,0,0|2,0,0]=4 350 B8R1.4 CC1CCCC(=O)N1 CS-0009358 [1,0,0,1,0,0|2,0,0]=4 351 B8R1.4 CC1CCCC(=O)O1 CS-0015920 [1,0,0,1,0,0|2,0,0]=4 352 B8R1.4 CN1CCNC(=O)C1 CS-W003814 [1,0,0,1,0,0|2,0,0]=4 353 B8R1.4 CN1CCOC(=O)C1 CS-W001837 [1,0,0,1,0,0|1,0,0]=3 354 B8R1.4 C[C@@H]1CC(=O)CCN1 CS-0053488 [1,0,0,1,0,0|2,0,0]=4 355 B8R1.4 C[C@@H]1CCCC(=O)N1 CS-0312406 [1,0,0,1,0,0|2,0,0]=4 356 B8R1.4 C[C@H]1CC(=O)CCN1 CS-0053435 [1,0,0,1,0,0|2,0,0]=4 357 B8R1.4 NC1CCNC(=O)C1 CS-0051036 [1,0,0,1,0,0|2,0,0]=4 358 B8R1.4 O=C1CC(O)CCN1 CS-W003628 [1,0,0,1,0,0|2,0,0]=4 359 B8R1.4 O=C1C[C@@H](O)CCN1 CS-W021175 [1,0,0,1,0,0|2,0,0]=4 360 B8R1.4 O=C1C[C@H](O)CCN1 CS-0105946 [1,0,0,1,0,0|2,0,0]=4 361 B8R1.18 CC1CC(=O)OC1=O CS-Z0015 [1,0,0,1,0,0|1,0,1]=4 362 B8R1.34 O=C(O)C=C1CCC1 CS-0045555 [1,0,0,1,0,0|0,0,2]=4 363 B8R1.34 O=C(O)CC1CCC1 CS-D0460 [1,0,0,1,0,0|0,0,0]=2 364 B8R1.34 O=C(O)CC1COC1 CS-0045509 [1,0,0,1,0,0|1,0,0]=3 365 B8R1.42 CC1(CC(=O)O)CC1 CS-0029552 [1,0,0,1,0,0|0,0,0]=2 366 B8R1.43 N#C[C@@H]1C[C@H]1C(=O)O CS-0047826 [1,0,0,1,0,0|1,0,1]=4 367 B8R1.5 CC1CCCNC1=O CS-0186670 [1,0,0,1,0,0|2,0,0]=4 368 B8R1.5 NC1CCCCC1=O CS-0099232 [1,0,0,1,0,0|1,0,0]=3 369 B8R1.5 NC1CCCCC1O CS-0128497 [1,0,0,1,0,0|1,0,1]=4 370 B8R1.5 NC1CCCCC1O CS-0330487 [1,0,0,1,0,0|1,0,1]=4 371 B8R1.5 NC1CCCN=C1O CS-W005854 [1,0,0,1,0,0|1,0,0]=3 372 B8R1.5 NC1CCCNC1=O CS-D0182 [1,0,0,1,0,0|1,0,0]=3 373 B8R1.5 N[C@@H]1CCCC[C@@H]1O CS-W008418 [1,0,0,1,0,0|1,0,1]=4 374 B8R1.5 N[C@@H]1CCCC[C@H]1O CS-0062471 [1,0,0,1,0,0|1,0,1]=4 375 B8R1.5 N[C@@H]1CCCC[C@H]1O CS-0096323 [1,0,0,1,0,0|1,0,1]=4 376 B8R1.5 N[C@@H]1CCCC[C@H]1O CS-W003455 [1,0,0,1,0,0|1,0,1]=4 377 B8R1.5 N[C@@H]1CCCC[C@H]1O CS-W005443 [1,0,0,1,0,0|1,0,1]=4 378 B8R1.5 N[C@@H]1CCCNC1=O CS-0102181 [1,0,0,1,0,0|1,0,0]=3 379 B8R1.5 N[C@H]1CCCC[C@@H]1O CS-D0607 [1,0,0,1,0,0|1,0,1]=4 380 B8R1.5 N[C@H]1CCCC[C@@H]1O CS-W019691 [1,0,0,1,0,0|1,0,1]=4 381 B8R1.5 N[C@H]1CCCC[C@H]1O CS-0134767 [1,0,0,1,0,0|1,0,1]=4 382 B8R1.5 N[C@H]1CCCC[C@H]1O CS-W008152 [1,0,0,1,0,0|1,0,1]=4 383 B8R1.5 N[C@H]1CCCNC1=O CS-0112427 [1,0,0,1,0,0|1,0,0]=3 384 B8R1.5 O=C1CCCCC1Cl CS-W013402 [1,0,0,1,0,0|2,0,0]=4 385 B8R1.5 O=C1CCCCC1O CS-0262973 [1,0,0,1,0,0|2,0,0]=4 386 B8R1.5 O=C1NCCCC1O CS-W008630 [1,0,0,1,0,0|2,0,0]=4 387 B8R1.7 CC(=O)C1CCCC1 CS-W020214 [1,0,0,1,0,0|2,0,0]=4 388 B8R1.7 NC(=O)C1CCCC1 CS-0205277 [1,0,0,1,0,0|2,0,0]=4 389 B8R1.7 NC(=O)C1CCCN1 CS-0450473 [1,0,0,1,0,0|1,0,0]=3 390 B8R1.7 NC(=O)C1CCCN1 CS-W005850 [1,0,0,1,0,0|1,0,0]=3 391 B8R1.7 NC(=O)[C@@H]1CCCN1 CS-D1209 [1,0,0,1,0,0|1,0,0]=3 392 B8R1.7 NC(=O)[C@@H]1CCCN1 CS-W018129 [1,0,0,1,0,0|1,0,0]=3 393 B8R1.7 NC(=O)[C@H]1CCCN1 CS-W013637 [1,0,0,1,0,0|1,0,0]=3 394 B8R1.7 O=C(O)C1=CCCC1 CS-W005540 [1,0,0,1,0,0|1,0,1]=4 395 B8R1.7 O=C(O)C1CCCC1 CS-W007448 [1,0,0,1,0,0|1,0,0]=3 396 B8R1.7 O=C(O)C1CCCN1 CS-W013624 [1,0,0,1,0,0|0,0,0]=2 397 B8R1.7 O=C(O)C1CCCO1 CS-W018496 [1,0,0,1,0,0|1,0,0]=3 398 B8R1.7 O=C(O)C1CCCS1 CS-W000375 [1,0,0,1,0,0|1,0,0]=3 399 B8R1.7 O=C(O)C1CCNC1 CS-0040176 [1,0,0,1,0,0|2,0,0]=4 400 B8R1.7 O=C(O)C1CCNC1 CS-W019683 [1,0,0,1,0,0|2,0,0]=4 401 B8R1.7 O=C(O)C1CCOC1 CS-W004096 [1,0,0,1,0,0|2,0,0]=4 402 B8R1.7 O=C(O)C1CSCN1 CS-8024 [1,0,0,1,0,0|1,0,0]=3 403 B8R1.7 O=C(O)C1NCCS1 CS-0204253 [1,0,0,1,0,0|1,0,0]=3 404 B8R1.7 O=C(O)[C@@H]1C=CCN1 CS-0171023 [1,0,0,1,0,0|0,0,2]=4 405 B8R1.7 O=C(O)[C@@H]1C=CCN1 CS-W016613 [1,0,0,1,0,0|0,0,2]=4 406 B8R1.7 O=C(O)[C@@H]1CCCN1 CS-W019861 [1,0,0,1,0,0|0,0,0]=2 407 B8R1.7 O=C(O)[C@@H]1CCCN1 CS-WAA0253 [1,0,0,1,0,0|0,0,0]=2 408 B8R1.7 O=C(O)[C@@H]1CCCO1 CS-W004117 [1,0,0,1,0,0|1,0,0]=3 409 B8R1.7 O=C(O)[C@@H]1CCNC1 CS-0053309 [1,0,0,1,0,0|2,0,0]=4 410 B8R1.7 O=C(O)[C@@H]1CCNC1 CS-D1771 [1,0,0,1,0,0|2,0,0]=4 411 B8R1.7 O=C(O)[C@@H]1CSCN1 CS-W013392 [1,0,0,1,0,0|1,0,0]=3 412 B8R1.7 O=C(O)[C@H]1CCCN1 CS-W020557 [1,0,0,1,0,0|0,0,0]=2 413 B8R1.7 O=C(O)[C@H]1CCCO1 CS-W005223 [1,0,0,1,0,0|1,0,0]=3 414 B8R1.7 O=C(O)[C@H]1CCNC1 CS-0053243 [1,0,0,1,0,0|2,0,0]=4 415 B8R1.7 O=C(O)[C@H]1CCNC1 CS-D0752 [1,0,0,1,0,0|2,0,0]=4 416 B8R1.7 O=C(O)[C@H]1CCOC1 CS-0053249 [1,0,0,1,0,0|2,0,0]=4 417 B8R1.7 O=C(O)[C@H]1CSCN1 CS-0097362 [1,0,0,1,0,0|1,0,0]=3 418 B8R1.7 [C@@H]1(C(=O)O)CCOC1 CS-W006196 [1,0,0,1,0,0|2,0,0]=4 419 B8R1.19 C[C@@]1(O)CCC[C@H]1N CS-0105761 [1,0,0,1,0,0|1,0,1]=4 420 B8R1.23 CC1CC(C(=O)O)C1 CS-W006107 [1,0,0,1,0,0|1,0,0]=3 421 B8R1.23 CN1CC(C(=O)O)C1 CS-W004004 [1,0,0,1,0,0|2,0,0]=4 422 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 CS-0043980 [1,0,0,1,0,0|2,0,0]=4 423 B8R1.23 O=C(O)C1CC(Cl)C1 CS-0051401 [1,0,0,1,0,0|2,0,0]=4 424 B8R1.23 O=C(O)C1CC(F)C1 CS-0036337 [1,0,0,1,0,0|2,0,0]=4 425 B8R1.23 O=C(O)[C@H]1C[C@H](Br)C1 CS-0179205 [1,0,0,1,0,0|2,0,0]=4 426 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 CS-W018750 [1,0,0,1,0,0|2,0,0]=4 427 B8R1.23 O=C1CC(C(=O)O)N1 CS-W019929 [1,0,0,1,0,0|1,0,1]=4 428 B8R1.23 O=C1C[C@@H](C(=O)O)N1 CS-W013626 [1,0,0,1,0,0|1,0,1]=4 429 B8R1.23 [C@H]1(O)C[C@@H](C(=O)O)C1 CS-W005391 [1,0,0,1,0,0|2,0,0]=4 430 B8R1.54 N[C@@H](C(=O)O)C1CC1 CS-0054153 [1,0,0,1,0,0|0,0,0]=2 431 B8R1.54 N[C@H](C(=O)O)C1CC1 CS-W005759 [1,0,0,1,0,0|0,0,0]=2 432 B8R1.54 O=C(O)C(=O)C1CC1 CS-W006124 [1,0,0,1,0,0|1,0,1]=4 433 B8R1.54 O=C(O)C(O)C1CC1 CS-0142965 [1,0,0,1,0,0|1,0,0]=3 434 B8R1.78 CC1(C(=O)O)CCC1 CS-W005411 [1,0,0,1,0,0|1,0,0]=3 435 B8R1.78 CC1(C(=O)O)COC1 CS-W007834 [1,0,0,1,0,0|2,0,0]=4 436 B8R1.78 NC1(C(=O)O)CCC1 CS-B0092 [1,0,0,1,0,0|0,0,0]=2 437 B8R1.78 NC1(C(=O)O)CCC1 CS-D0209 [1,0,0,1,0,0|0,0,0]=2 438 B8R1.78 O=C(O)C1(Br)CCC1 CS-0040826 [1,0,0,1,0,0|1,0,0]=3 439 B8R1.78 O=C(O)C1(O)CCC1 CS-0052945 [1,0,0,1,0,0|1,0,0]=3 440 B8R1.78 O=C(O)C1(O)COC1 CS-0051333 [1,0,0,1,0,0|2,0,0]=4 441 B8R1.38 CCC(N)C1CCC1 CS-0655543 [1,0,0,1,0,0|1,0,1]=4 442 B8R1.50 CC1CCC(=O)C1=O CS-W011271 [1,0,0,1,0,0|1,0,1]=4 443 B8R1.77 CC1(C)CC1C(=O)O CS-W005115 [1,0,0,1,0,0|1,0,0]=3 444 B8R1.77 CC1(C)C[C@@H]1C(N)=O CS-W013652 [1,0,0,1,0,0|2,0,0]=4 445 B10R1.113 CC1CCCC(C(=O)O)C1 CS-0204578 [0,0,0,1,0,1|1,0,0]=3 446 B10R1.113 CC1CCCC(C(=O)O)N1 CS-0039203 [0,0,0,1,0,1|1,0,0]=3 447 B10R1.113 CN1CCCC(C(=O)O)C1 CS-0052422 [0,0,0,1,0,1|2,0,0]=4 448 B10R1.113 CN1CCOC(C(=O)O)C1 CS-0151064 [0,0,0,1,0,1|2,0,0]=4 449 B10R1.113 NC1CCCC(C(=O)O)C1 CS-W016417 [0,0,0,1,0,1|2,0,0]=4 450 B10R1.113 NC1CCCC(C(=O)O)C1 CS-W022616 [0,0,0,1,0,1|2,0,0]=4 451 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 CS-0049713 [0,0,0,1,0,1|2,0,0]=4 452 B10R1.113 O=C(O)C1CCCC(O)C1 CS-0155422 [0,0,0,1,0,1|2,0,0]=4 453 B10R1.204 N[C@@H](CC1CCC1)C(=O)O CS-D0035 [0,0,0,1,0,1|0,0,0]=2 454 B10R1.204 N[C@H](CC1CCC1)C(=O)O CS-D0034 [0,0,0,1,0,1|0,0,0]=2 455 B10R1.470 CN1CCC(C)(C(=O)O)C1 CS-0172046 [0,0,0,1,0,1|2,0,0]=4 456 B10R1.23 CC(C(=O)O)C1CCCC1 CS-0137663 [0,1,0,1,0,0|1,0,0]=3 457 B10R1.23 CC(C(=O)O)N1CCCC1 CS-0154982 [0,1,0,1,0,0|2,0,0]=4 458 B10R1.23 NC(C(=O)O)C1CCCC1 CS-W021543 [0,1,0,1,0,0|0,0,0]=2 459 B10R1.23 N[C@@H](C(=O)O)C1CCCC1 CS-D0303 [0,1,0,1,0,0|0,0,0]=2 460 B10R1.23 O=C(O)C(Br)C1CCCC1 CS-0029561 [0,1,0,1,0,0|1,0,0]=3 461 B10R1.23 [C@@H](N)(C(=O)O)C1CCCC1 CS-W008530 [0,1,0,1,0,0|0,0,0]=2 462 B10R1.34 O=C1O[C@H](CO)[C@@H](O)[C@H]1O CS-M1132 [0,1,0,1,0,0|2,0,0]=4 463 B10R1.59 CN1C[C@H](O)C[C@H]1C(=O)O CS-0151198 [0,1,0,1,0,0|2,0,0]=4 464 B10R1.61 CC1CCCCC1C(=O)O CS-W018286 [0,1,0,1,0,0|1,0,0]=3 465 B10R1.61 CC1NCCCC1C(=O)O CS-0196596 [0,1,0,1,0,0|1,0,0]=3 466 B10R1.61 CN1CCCCC1C(=O)O CS-W021361 [0,1,0,1,0,0|2,0,0]=4 467 B10R1.61 CN1CCCC[C@@H]1C(=O)O CS-0030802 [0,1,0,1,0,0|2,0,0]=4 468 B10R1.61 CN1CCCC[C@H]1C(=O)O CS-W021154 [0,1,0,1,0,0|2,0,0]=4 469 B10R1.61 N[C@@H]1CCCC[C@@H]1C(=O)O CS-0131300 [0,1,0,1,0,0|2,0,0]=4 470 B10R1.61 N[C@@H]1CCCC[C@H]1C(=O)O CS-0130250 [0,1,0,1,0,0|2,0,0]=4 471 B10R1.61 N[C@@H]1CCCC[C@H]1C(=O)O CS-0131302 [0,1,0,1,0,0|2,0,0]=4 472 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O CS-0130601 [0,1,0,1,0,0|2,0,0]=4 473 B10R1.61 O=C(O)C1CCCCC1O CS-W006852 [0,1,0,1,0,0|2,0,0]=4 474 B10R1.61 [C@H]1(C(=O)O)NCCO[C@@H]1C CS-W007307 [0,1,0,1,0,0|0,0,0]=2 475 B10R1.149 COC(=O)[C@@H]1CCCN1C CS-0450221 [0,1,0,1,0,0|2,0,0]=4 476 B10R1.149 COC(=O)[C@@H]1CCC[C@@H]1N CS-0375992 [0,1,0,1,0,0|2,0,0]=4 477 B10R1.149 COC(=O)[C@@H]1NCC[C@@H]1O CS-0049292 [0,1,0,1,0,0|1,0,0]=3 478 B10R1.149 COC(=O)[C@H]1CNC[C@@H]1C CS-0645794 [0,1,0,1,0,0|2,0,0]=4 479 B10R1.175 O=C(O[Na])C1CCC1CO CS-0433319 [0,1,0,1,0,0|2,0,0]=4 480 B10R1.182 COC(=O)[C@@H](N)C1CCC1 CS-D0197 [0,1,0,1,0,0|0,0,0]=2 481 B10R1.128 CC1(C)CNC[C@@H]1C(=O)O CS-0341689 [0,1,0,1,0,0|2,0,0]=4 482 B10R1.128 CC1(C)CNC[C@H]1C(=O)O CS-0187896 [0,1,0,1,0,0|2,0,0]=4 483 B10R1.128 C[N+]1(C)CCC[C@H]1C(=O)O CS-W020707 [0,1,0,1,0,0|2,0,0]=4 484 B10R2.355 O=C(O)C1NCC2CC21 CS-0051525 [0,0,0,2,0,0|0,0,0]=2 485 B10R2.638 O=C(O)C1CC12CCC2 CS-0048697 [0,0,0,2,0,0|1,0,0]=3 486 B8R0.9 CCC(=O)NCC(=O)O CS-0643654 [1,0,0,0,0,1|1,0,1]=4 487 B10R0.82 NCC(O)CCC(N)C(=O)O CS-W015646 [0,0,0,0,0,2|2,0,0]=4