0 B7R0.12 C#CCN(CC)CC 28713 [0,0,0,0,0,0|1,0,1]=2 1 B7R0.12 CCN(CC)CCBr 30292 [0,0,0,0,0,0|1,0,0]=1 2 B7R0.12 CCN(CC)CCS D89920 [0,0,0,0,0,0|0,1,0]=1 3 B7R0.12 COC(CCBr)OC 28799 [0,0,0,0,0,0|4,0,0]=4 4 B6R0.1 CCCC(=O)CC D90801 [1,0,0,0,0,0|3,0,0]=4 5 B6R0.1 CCC[C@@H](Cl)CC D76318 [1,0,0,0,0,0|3,0,0]=4 6 B6R0.1 CCC[C@H](C)CCl D89415 [1,0,0,0,0,0|3,0,0]=4 7 B6R0.1 CCO[C@@H](C)CC D88933 [1,0,0,0,0,0|3,0,0]=4 8 B6R0.1 CN(C=O)CCO AC2477 [1,0,0,0,0,0|1,0,1]=3 9 B6R0.1 COC(=O)CCO 29940 [1,0,0,0,0,0|3,0,0]=4 10 B6R0.1 CO[C@@H](C)CCO D77758 [1,0,0,0,0,0|2,0,0]=3 11 B6R0.1 C[C@H](CO)CCN 78036 [1,0,0,0,0,0|3,0,0]=4 12 B6R0.1 C[C@H](CO)CCO 63982 [1,0,0,0,0,0|2,0,0]=3 13 B6R0.1 C[C@H](CO)CCO 70021 [1,0,0,0,0,0|2,0,0]=3 14 B6R0.1 OCC[C@H](O)CCl D94503 [1,0,0,0,0,0|3,0,0]=4 15 B6R0.1 OCC[C@H](O)CO 56159 [1,0,0,0,0,0|3,0,0]=4 16 B6R0.1 OCC[C@H](O)CO 56160 [1,0,0,0,0,0|3,0,0]=4 17 B6R0.1 OCC[C@H](O)CO AC2226 [1,0,0,0,0,0|3,0,0]=4 18 B6R0.9 CCC(CC)CBr D88873 [1,0,0,0,0,0|2,0,0]=3 19 B6R0.9 CCC(CC)CO D78539 [1,0,0,0,0,0|1,0,0]=2 20 B6R0.9 CCC(CC)NC 30677 [1,0,0,0,0,0|2,0,0]=3 21 B6R0.9 CCC(CC)NN AB9880 [1,0,0,0,0,0|3,0,0]=4 22 B6R0.9 CCC(CO)CO AB3752 [1,0,0,0,0,0|2,0,0]=3 23 B6R0.9 CCN(C=O)CC A10832 [1,0,0,0,0,0|0,0,2]=3 24 B6R0.9 CCN(CC)CC D78014 [1,0,0,0,0,0|0,0,0]=1 25 B6R0.9 CCN(CC)CC D92579 [1,0,0,0,0,0|0,0,0]=1 26 B6R0.9 CCN(CC)CC D94937 [1,0,0,0,0,0|0,0,0]=1 27 B6R0.9 CCN(CC)N=O F14922 [1,0,0,0,0,0|1,0,1]=3 28 B6R0.9 CCP(CC)CC D94529 [1,0,0,0,0,0|0,1,0]=2 29 B6R0.9 CC[O+](CC)CC 67663 [1,0,0,0,0,0|1,0,0]=2 30 B6R0.9 CC[SiH](CC)CC S12352 [1,0,0,0,0,0|1,0,0]=2 31 B6R0.9 COC(CO)OC 36713 [1,0,0,0,0,0|3,0,0]=4 32 B6R0.9 OCC(CO)CO 59936 [1,0,0,0,0,0|3,0,0]=4 33 B8R0.11 CCCCN(CC)CC D94767 [0,1,0,0,0,0|1,0,0]=2 34 B8R0.11 CCCC[C@H](CC)CBr D77662 [0,1,0,0,0,0|3,0,0]=4 35 B8R0.11 CCCC[C@H](CC)CCl D89423 [0,1,0,0,0,0|3,0,0]=4 36 B8R0.11 CCCC[C@H](CC)CN D90440 [0,1,0,0,0,0|3,0,0]=4 37 B8R0.11 CCCC[C@H](CC)CO D72516 [0,1,0,0,0,0|3,0,0]=4 38 B8R0.11 CCCC[C@H](CC)CS D90586 [0,1,0,0,0,0|3,0,0]=4 39 B8R0.11 CCN(CC)CCCCl F20381 [0,1,0,0,0,0|1,0,0]=2 40 B8R0.11 CCN(CC)CCCO F11356 [0,1,0,0,0,0|0,0,0]=1 41 B8R0.11 CCN(CC)CCNC D89828 [0,1,0,0,0,0|1,0,0]=2 42 B8R0.16 CCN(CC)CC(=O)O D82173 [0,1,0,0,0,0|0,0,1]=2 43 B8R0.16 CCN(CC)CC(=O)[O-] D72528 [0,1,0,0,0,0|0,0,2]=3 44 B8R0.16 CCN(CC)C[C@H](C)O S11919 [0,1,0,0,0,0|0,0,0]=1 45 B8R0.16 CC[C@H](CO)CC(C)C A10715 [0,1,0,0,0,0|3,0,0]=4 46 B8R0.16 COC(C[C@H](C)O)OC AC1866 [0,1,0,0,0,0|3,0,0]=4 47 B8R0.20 CCN(CC)C(=O)CCl F14859 [0,1,0,0,0,0|1,0,1]=3 48 B8R0.20 CCN(CC)C(=O)CO W17359 [0,1,0,0,0,0|0,0,1]=2 49 B8R0.22 CCCN(C=O)CCC D70355 [0,1,0,0,0,0|2,0,1]=4 50 B8R0.22 CCCN(CCC)N=O D91709 [0,1,0,0,0,0|3,0,0]=4 51 B8R0.22 CCC[C@@H](CCO)SC D91575 [0,1,0,0,0,0|2,0,0]=3 52 B8R0.22 CCOC(CC)OCC D97857 [0,1,0,0,0,0|3,0,0]=4 53 B8R1.1 CCN1CC[C@H](Cl)C1 D82602 [0,0,0,1,0,0|1,0,0]=2 54 B8R1.1 CCN1CC[C@H](N)C1 P17207 [0,0,0,1,0,0|1,0,0]=2 55 B8R1.1 CCN1CC[C@H](O)C1 F13254 [0,0,0,1,0,0|0,0,0]=1 56 B8R1.1 OC[C@@H]1C[C@H](O)CN1 P18712 [0,0,0,1,0,0|3,0,0]=4 57 B8R1.1 OC[C@H]1C[C@H](O)CN1 62331 [0,0,0,1,0,0|3,0,0]=4 58 B8R1.1 OC[C@H]1C[C@H](O)CN1 P17328 [0,0,0,1,0,0|3,0,0]=4 59 B8R1.2 BrCC1CCCCC1 81459 [0,0,0,1,0,0|3,0,0]=4 60 B8R1.2 BrCC1CCNCC1 54450 [0,0,0,1,0,0|3,0,0]=4 61 B8R1.2 BrCC1CCOCC1 54616 [0,0,0,1,0,0|2,0,0]=3 62 B8R1.2 CCN1CCNCC1 P17082 [0,0,0,1,0,0|1,0,0]=2 63 B8R1.2 CC[C@H]1CCCCN1 D90478 [0,0,0,1,0,0|3,0,0]=4 64 B8R1.2 CNC1CCOCC1 32360 [0,0,0,1,0,0|2,0,0]=3 65 B8R1.2 CNC1CCOCC1 AB1551 [0,0,0,1,0,0|2,0,0]=3 66 B8R1.2 COC1CCNCC1 29503 [0,0,0,1,0,0|3,0,0]=4 67 B8R1.2 COC1CCNCC1 30319 [0,0,0,1,0,0|3,0,0]=4 68 B8R1.2 ICC1CCOCC1 62810 [0,0,0,1,0,0|2,0,0]=3 69 B8R1.2 N#CC1CCOCC1 AB2989 [0,0,0,1,0,0|2,0,1]=4 70 B8R1.2 NCC1CCCCC1 FD10556 [0,0,0,1,0,0|3,0,0]=4 71 B8R1.2 NCC1CCNCC1 20503 [0,0,0,1,0,0|3,0,0]=4 72 B8R1.2 NCC1CCOCC1 51888 [0,0,0,1,0,0|2,0,0]=3 73 B8R1.2 NCC1CCOCC1 AB1593 [0,0,0,1,0,0|2,0,0]=3 74 B8R1.2 NNC1CCOCC1 20334 [0,0,0,1,0,0|3,0,0]=4 75 B8R1.2 NNC1CCOCC1 BL010345 [0,0,0,1,0,0|3,0,0]=4 76 B8R1.2 O=CC1CCOCC1 61400 [0,0,0,1,0,0|2,0,1]=4 77 B8R1.2 O=CN1CCNCC1 77876 [0,0,0,1,0,0|2,0,1]=4 78 B8R1.2 O=CN1CCOCC1 S12160 [0,0,0,1,0,0|1,0,1]=3 79 B8R1.2 O=NN1CCCCC1 D92816 [0,0,0,1,0,0|3,0,0]=4 80 B8R1.2 OCC1CCCCC1 73723 [0,0,0,1,0,0|3,0,0]=4 81 B8R1.2 OCC1CCNCC1 25838 [0,0,0,1,0,0|3,0,0]=4 82 B8R1.2 OCC1CCOCC1 66550 [0,0,0,1,0,0|2,0,0]=3 83 B8R1.2 OCC1CCSCC1 30719 [0,0,0,1,0,0|2,1,0]=4 84 B8R1.2 ON=C1CCOCC1 H10065 [0,0,0,1,0,0|3,0,0]=4 85 B8R1.8 BrCCN1CCCC1 54542 [0,0,0,1,0,0|1,0,0]=2 86 B8R1.8 ClCCN1CCCC1 27886 [0,0,0,1,0,0|1,0,0]=2 87 B8R1.8 N#CCC1CCCC1 97394 [0,0,0,1,0,0|2,0,1]=4 88 B8R1.8 N#CCN1CCCC1 29506 [0,0,0,1,0,0|1,0,1]=3 89 B8R1.8 N#CCN1CCCC1 77828 [0,0,0,1,0,0|1,0,1]=3 90 B8R1.8 NCCC1CCCC1 23538 [0,0,0,1,0,0|2,0,0]=3 91 B8R1.8 NCCN1CCCC1 AC1468 [0,0,0,1,0,0|1,0,0]=2 92 B8R1.8 OCCC1CCCC1 P10032 [0,0,0,1,0,0|1,0,0]=2 93 B8R1.8 OCCN1CCCC1 F14228 [0,0,0,1,0,0|0,0,0]=1 94 B8R1.8 OCC[C@H]1CCNC1 38792 [0,0,0,1,0,0|2,0,0]=3 95 B8R1.11 CCN1CCCC1=O A10865 [0,0,0,1,0,0|2,0,1]=4 96 B8R1.12 OCC1CCC1CO P19699 [0,0,0,1,0,0|2,0,0]=3 97 B5R0.1 C=CCN(C)C D89797 [2,0,0,0,0,0|1,0,1]=4 98 B5R0.1 CC(=O)CCO 55787 [2,0,0,0,0,0|2,0,0]=4 99 B5R0.1 CC(C)=CCO F20316 [2,0,0,0,0,0|1,0,1]=4 100 B5R0.1 CN(C)CC=O O10521 [2,0,0,0,0,0|0,0,2]=4 101 B5R0.1 CN(C)CCBr O10701 [2,0,0,0,0,0|1,0,0]=3 102 B5R0.1 CN(C)CCCl D77997 [2,0,0,0,0,0|1,0,0]=3 103 B5R0.1 CN(C)CCN S12293 [2,0,0,0,0,0|1,0,0]=3 104 B5R0.1 CN(C)CCS 35911 [2,0,0,0,0,0|0,1,0]=3 105 B5R0.1 C[C@H](N)CCO 36141 [2,0,0,0,0,0|2,0,0]=4 106 B5R0.1 C[C@H](N)CCO 36142 [2,0,0,0,0,0|2,0,0]=4 107 B5R0.1 C[C@H](N)CCO F11725 [2,0,0,0,0,0|2,0,0]=4 108 B5R0.1 C[C@H](O)CCO 55765 [2,0,0,0,0,0|2,0,0]=4 109 B5R0.1 C[C@H](O)CCO O10183 [2,0,0,0,0,0|2,0,0]=4 110 B5R0.2 CCC#CCO F19221 [2,0,0,0,0,0|1,0,1]=4 111 B5R0.2 CCCNCC F21346 [2,0,0,0,0,0|1,0,0]=3 112 B5R0.2 CCNCCN AB11316 [2,0,0,0,0,0|1,0,0]=3 113 B5R0.2 CCNCCO 20098 [2,0,0,0,0,0|0,0,0]=2 114 B5R0.2 CCOCCCl 29431 [2,0,0,0,0,0|2,0,0]=4 115 B5R0.2 CCSCCCl D89330 [2,0,0,0,0,0|2,0,0]=4 116 B5R0.2 CNCCCO 36133 [2,0,0,0,0,0|2,0,0]=4 117 B5R0.2 CSCCCO 79218 [2,0,0,0,0,0|2,0,0]=4 118 B5R0.2 NCCCCO 51530 [2,0,0,0,0,0|2,0,0]=4 119 B5R0.2 OCCCCBr 54526 [2,0,0,0,0,0|2,0,0]=4 120 B5R0.2 OCCCCCl F11085 [2,0,0,0,0,0|2,0,0]=4 121 B5R0.2 OCCCCI D81265 [2,0,0,0,0,0|2,0,0]=4 122 B5R0.2 OCCNCO D91013 [2,0,0,0,0,0|1,0,0]=3 123 B5R0.3 CC(CO)CO D71170 [2,0,0,0,0,0|2,0,0]=4 124 B5R0.3 CCC(=O)CO C75383 [2,0,0,0,0,0|2,0,0]=4 125 B5R0.3 CCC(Br)CC H11324 [2,0,0,0,0,0|2,0,0]=4 126 B5R0.3 CCC(N)CC S12161 [2,0,0,0,0,0|2,0,0]=4 127 B5R0.3 CCN(C)CC D97580 [2,0,0,0,0,0|0,0,0]=2 128 B5R0.3 CCS(=O)CC D81870 [2,0,0,0,0,0|1,0,1]=4 129 B5R0.3 CC[C@H](C)CBr A10884 [2,0,0,0,0,0|2,0,0]=4 130 B5R0.3 CC[C@H](C)CCl D89411 [2,0,0,0,0,0|2,0,0]=4 131 B5R0.3 CC[C@H](C)CI D80608 [2,0,0,0,0,0|2,0,0]=4 132 B5R0.3 CC[C@H](C)CN F16114 [2,0,0,0,0,0|2,0,0]=4 133 B5R0.3 CC[C@H](C)CO 88664 [2,0,0,0,0,0|1,0,0]=3 134 B5R0.3 CC[C@H](C)CS D91431 [2,0,0,0,0,0|1,1,0]=4 135 B5R0.3 CC[C@H](C)NC D95752 [2,0,0,0,0,0|2,0,0]=4 136 B5R0.3 CC[C@H](N)CO 23160 [2,0,0,0,0,0|2,0,0]=4 137 B5R0.3 CC[C@H](N)CO D87517 [2,0,0,0,0,0|2,0,0]=4 138 B5R0.3 CC[C@H](N)CO F14569 [2,0,0,0,0,0|2,0,0]=4 139 B5R0.3 CC[C@H](O)CN D97409 [2,0,0,0,0,0|2,0,0]=4 140 B5R0.3 CC[C@H](O)CO C10640 [2,0,0,0,0,0|2,0,0]=4 141 B5R0.3 CC[C@H](O)CO O10222 [2,0,0,0,0,0|2,0,0]=4 142 B5R0.3 CO[C@@H](C)CO 29137 [2,0,0,0,0,0|2,0,0]=4 143 B5R0.3 CO[C@@H](C)CO 35966 [2,0,0,0,0,0|2,0,0]=4 144 B5R0.3 C[C@@H](CN)CO 78445 [2,0,0,0,0,0|2,0,0]=4 145 B5R0.3 C[C@@H](CN)CO AB10326 [2,0,0,0,0,0|2,0,0]=4 146 B7R0.2 CCC(C)CC(C)N 40016 [1,1,0,0,0,0|2,0,0]=4 147 B7R0.2 CCC(C)CC(C)N D88161 [1,1,0,0,0,0|2,0,0]=4 148 B7R0.2 CCN(C)CC(=O)O D97398 [1,1,0,0,0,0|0,0,1]=3 149 B7R0.2 CC[C@H](C)CC(=O)O 63956 [1,1,0,0,0,0|1,0,1]=4 150 B7R0.2 CC[C@H](C)CC(=O)O 63972 [1,1,0,0,0,0|1,0,1]=4 151 B7R0.5 CC(C)[C@@H](N)CCO 29776 [1,1,0,0,0,0|2,0,0]=4 152 B7R0.7 C=CCN(C)CCO D83705 [1,1,0,0,0,0|0,0,1]=3 153 B7R0.7 CCCN(C)CCC D95729 [1,1,0,0,0,0|1,0,0]=3 154 B7R0.7 CCC[C@H](C)CCO T71716 [1,1,0,0,0,0|1,0,0]=3 155 B7R0.7 CCC[C@H](S)CCO D84193 [1,1,0,0,0,0|2,0,0]=4 156 B7R0.7 CCOC(=O)CCO 30936 [1,1,0,0,0,0|2,0,0]=4 157 B7R0.7 CN(CCCl)CCCl F11444 [1,1,0,0,0,0|1,0,0]=3 158 B7R0.7 CN(CCN)CCN E10179 [1,1,0,0,0,0|1,0,0]=3 159 B7R0.10 CCC(S)C(C)CO A10541 [1,1,0,0,0,0|2,0,0]=4 160 B7R0.10 CC[C@@H](C)[C@@H](N)CO AC7563 [1,1,0,0,0,0|1,0,0]=3 161 B7R0.10 CC[C@@H](C)[C@@H](N)CO FD21812 [1,1,0,0,0,0|1,0,0]=3 162 B7R0.11 CC(C)(CO)CCO W19543 [1,1,0,0,0,0|2,0,0]=4 163 B7R0.15 CCC(CC)C(C)=O N12324 [1,1,0,0,0,0|1,0,1]=4 164 B7R0.15 CCN(CC)C(=S)S D89664 [1,1,0,0,0,0|0,1,1]=4 165 B7R0.15 CCN(CC)C(=S)[S-] D78053 [1,1,0,0,0,0|0,1,1]=4 166 B7R0.15 CCN(CC)C(=S)[S-] D89663 [1,1,0,0,0,0|0,1,1]=4 167 B7R0.15 CCN(CC)C(=S)[S-] D95253 [1,1,0,0,0,0|0,1,1]=4 168 B7R0.15 CCN(CC)C(C)=O H11276 [1,1,0,0,0,0|0,0,1]=3 169 B7R0.15 CCN(CC)C(N)=O D89884 [1,1,0,0,0,0|0,0,2]=4 170 B7R0.15 CCN(CC)P(Cl)Cl F20420 [1,1,0,0,0,0|2,0,0]=4 171 B7R0.15 CCN(N=O)C(C)C D80853 [1,1,0,0,0,0|1,0,1]=4 172 B7R0.18 CCC(Br)(CC)CC A11322 [1,1,0,0,0,0|1,0,0]=3 173 B7R0.18 CCC(N)(CO)CO D71113 [1,1,0,0,0,0|2,0,0]=4 174 B7R0.18 CC[N+](C)(CC)CC AC2499 [1,1,0,0,0,0|0,0,1]=3 175 B7R0.18 CC[N+](C)(CC)CC C93503 [1,1,0,0,0,0|0,0,1]=3 176 B7R0.18 CC[Si](Br)(CC)CC D89174 [1,1,0,0,0,0|1,0,0]=3 177 B7R0.18 CC[Si](Cl)(CC)CC H10691 [1,1,0,0,0,0|1,0,0]=3 178 B7R0.18 CC[Si](F)(CC)CC 32353 [1,1,0,0,0,0|1,0,0]=3 179 B7R0.18 CC[Si](O)(CC)CC D92567 [1,1,0,0,0,0|1,0,0]=3 180 B9R0.26 CCN(CC)CC(=O)OC D89857 [0,2,0,0,0,0|0,0,1]=3 181 B9R0.37 CCN(CC)C(=O)CC#N F11682 [0,2,0,0,0,0|1,0,1]=4 182 B9R0.43 CCN(CC)CCC(=O)O 79793 [0,2,0,0,0,0|0,0,0]=2 183 B9R0.50 CCN(CC)CC#CCO 68283 [0,2,0,0,0,0|0,0,0]=2 184 B9R0.50 CCN(CC)CCCCN 76938 [0,2,0,0,0,0|1,0,0]=3 185 B9R0.33 CC(C)N(CCN)C(C)C F11441 [0,2,0,0,0,0|1,0,0]=3 186 B9R0.17 CCOC(CCCl)OCC A11035 [0,2,0,0,0,0|2,0,0]=4 187 B9R0.17 CCOC(CCN)OCC A51079 [0,2,0,0,0,0|2,0,0]=4 188 B9R0.17 CCOC(CCO)OCC 30283 [0,2,0,0,0,0|1,0,0]=3 189 B9R0.17 NCCN(CCN)CCN E70306 [0,2,0,0,0,0|1,0,0]=3 190 B9R0.17 OCCN(CCO)CCO A11467 [0,2,0,0,0,0|0,0,0]=2 191 B9R0.62 CC[N+](CC)(CC)CCO D90858 [0,2,0,0,0,0|0,0,1]=3 192 B9R0.62 CC[N+](CC)(CC)CCO D93278 [0,2,0,0,0,0|0,0,1]=3 193 B7R1.1 CCN1CCCC1 F17079 [1,0,0,1,0,0|1,0,0]=3 194 B7R1.1 CN[C@H]1CCOC1 P10528 [1,0,0,1,0,0|2,0,0]=4 195 B7R1.1 CN[C@H]1CCOC1 P10858 [1,0,0,1,0,0|2,0,0]=4 196 B7R1.1 IC[C@H]1CCOC1 P10359 [1,0,0,1,0,0|2,0,0]=4 197 B7R1.1 NC[C@H]1CCOC1 37315 [1,0,0,1,0,0|2,0,0]=4 198 B7R1.1 NC[C@H]1CCOC1 SC2551 [1,0,0,1,0,0|2,0,0]=4 199 B7R1.1 OC[C@H]1CCOC1 83670 [1,0,0,1,0,0|2,0,0]=4 200 B7R1.2 CN1CC[C@H](N)C1 25845 [1,0,0,1,0,0|1,0,0]=3 201 B7R1.2 CN1CC[C@H](N)C1 72398 [1,0,0,1,0,0|1,0,0]=3 202 B7R1.2 CN1CC[C@H](O)C1 62204 [1,0,0,1,0,0|0,0,0]=2 203 B7R1.2 CN1CC[C@H](O)C1 62205 [1,0,0,1,0,0|0,0,0]=2 204 B7R1.2 CN1CC[C@H](O)C1 62206 [1,0,0,1,0,0|0,0,0]=2 205 B7R1.2 OC1CCC(O)C1 P10003 [1,0,0,1,0,0|2,0,0]=4 206 B7R1.3 BrC1CCOCC1 34656 [1,0,0,1,0,0|2,0,0]=4 207 B7R1.3 CN1CCNCC1 D70771 [1,0,0,1,0,0|1,0,0]=3 208 B7R1.3 CN1CCOCC1 AB7556 [1,0,0,1,0,0|0,0,0]=2 209 B7R1.3 ClC1CCOCC1 F17652 [1,0,0,1,0,0|2,0,0]=4 210 B7R1.3 IC1CCOCC1 25900 [1,0,0,1,0,0|2,0,0]=4 211 B7R1.3 NC1CCOCC1 66544 [1,0,0,1,0,0|2,0,0]=4 212 B7R1.3 NC1CCOCC1 83442 [1,0,0,1,0,0|2,0,0]=4 213 B7R1.3 NC1CCOCC1 D95622 [1,0,0,1,0,0|2,0,0]=4 214 B7R1.3 NN1CCCCC1 77856 [1,0,0,1,0,0|2,0,0]=4 215 B7R1.3 NN1CCCCC1 78303 [1,0,0,1,0,0|2,0,0]=4 216 B7R1.3 NN1CCOCC1 28683 [1,0,0,1,0,0|1,0,0]=3 217 B7R1.3 O=C1CCOCC1 28100 [1,0,0,1,0,0|2,0,0]=4 218 B7R1.3 OC1CCOCC1 67293 [1,0,0,1,0,0|2,0,0]=4 219 B7R1.3 ON1CCCCC1 65654 [1,0,0,1,0,0|2,0,0]=4 220 B7R1.4 CC1OCCC1S AT13652 [1,0,0,1,0,0|2,0,0]=4 221 B7R1.4 CN1CCOC1=O 70761 [1,0,0,1,0,0|1,0,1]=4 222 B7R1.4 C[C@@H]1OCCC1=O O10840 [1,0,0,1,0,0|2,0,0]=4 223 B7R1.6 N#CCN1CCC1 D79160 [1,0,0,1,0,0|1,0,1]=4 224 B7R1.6 NCCN1CCC1 P15319 [1,0,0,1,0,0|1,0,0]=3 225 B7R1.10 CCN1CC(N)C1 P20448 [1,0,0,1,0,0|1,0,0]=3 226 B7R1.10 CCN1CC(O)C1 32510 [1,0,0,1,0,0|0,0,0]=2 227 B7R1.10 CCN1CC(O)C1 P11466 [1,0,0,1,0,0|0,0,0]=2 228 B7R1.10 NC[C@H]1C[C@@H](O)C1 37658 [1,0,0,1,0,0|2,0,0]=4 229 B7R1.29 NCC1(CO)CC1 F20219 [1,0,0,1,0,0|2,0,0]=4 230 B7R1.29 OCC1(CO)CC1 87294 [1,0,0,1,0,0|2,0,0]=4 231 B9R1.1 CCC1CCC(=O)CC1 N10368 [0,1,0,1,0,0|1,0,1]=4 232 B9R1.1 CCC1CCC(O)CC1 D71246 [0,1,0,1,0,0|1,0,0]=3 233 B9R1.1 CCN1CCC(=O)CC1 77862 [0,1,0,1,0,0|0,0,1]=3 234 B9R1.1 CCN1CCC(O)CC1 24837 [0,1,0,1,0,0|0,0,0]=2 235 B9R1.1 CCN1CCN(C)CC1 D81391 [0,1,0,1,0,0|1,0,0]=3 236 B9R1.1 CNC1CCC(O)CC1 AB3908 [0,1,0,1,0,0|2,0,0]=4 237 B9R1.1 CN[C@H]1CC[C@H](O)CC1 AB3909 [0,1,0,1,0,0|2,0,0]=4 238 B9R1.1 COC1CCC(O)CC1 32564 [0,1,0,1,0,0|2,0,0]=4 239 B9R1.1 OCC1CCC(O)CC1 T72324 [0,1,0,1,0,0|2,0,0]=4 240 B9R1.12 CCCCN1CCCC1 D94689 [0,1,0,1,0,0|1,0,0]=3 241 B9R1.12 ClCCCN1CCCC1 30437 [0,1,0,1,0,0|1,0,0]=3 242 B9R1.12 ClCCCN1CCCC1 D70826 [0,1,0,1,0,0|1,0,0]=3 243 B9R1.12 ClCCCN1CCCC1 P17466 [0,1,0,1,0,0|1,0,0]=3 244 B9R1.12 NCCCC1CCCC1 P17748 [0,1,0,1,0,0|2,0,0]=4 245 B9R1.12 NCCCN1CCCC1 35113 [0,1,0,1,0,0|1,0,0]=3 246 B9R1.12 NCCOC1CCCC1 31471 [0,1,0,1,0,0|2,0,0]=4 247 B9R1.12 OCCCC1CCCC1 AB3609 [0,1,0,1,0,0|1,0,0]=3 248 B9R1.12 OCCCN1CCCC1 29105 [0,1,0,1,0,0|0,0,0]=2 249 B9R1.21 OC[C@@H]1CC[C@H](CO)O1 54020 [0,1,0,1,0,0|2,0,0]=4 250 B9R1.89 CCN1CCCNCC1 72395 [0,1,0,1,0,0|1,0,0]=3 251 B9R1.6 CC(=O)C1CCOCC1 53199 [0,1,0,1,0,0|1,0,1]=4 252 B9R1.6 CC(=O)N1CCCCC1 S12042 [0,1,0,1,0,0|1,0,1]=4 253 B9R1.6 CC(=O)N1CCNCC1 75167 [0,1,0,1,0,0|1,0,1]=4 254 B9R1.6 CC(=O)N1CCOCC1 C10101 [0,1,0,1,0,0|0,0,1]=3 255 B9R1.6 CC(C)N1CCNCC1 D97776 [0,1,0,1,0,0|1,0,0]=3 256 B9R1.6 CC(C)N1CCNCC1 P10089 [0,1,0,1,0,0|1,0,0]=3 257 B9R1.6 C[C@H](N)C1CCCCC1 79906 [0,1,0,1,0,0|2,0,0]=4 258 B9R1.6 C[C@H](N)C1CCCCC1 79909 [0,1,0,1,0,0|2,0,0]=4 259 B9R1.6 C[C@H](N)C1CCCCC1 N12504 [0,1,0,1,0,0|2,0,0]=4 260 B9R1.6 C[C@H](O)C1CCCCC1 F11489 [0,1,0,1,0,0|2,0,0]=4 261 B9R1.6 C[C@H](O)C1CCNCC1 AC1242 [0,1,0,1,0,0|2,0,0]=4 262 B9R1.6 N=C(N)N1CCOCC1 50802 [0,1,0,1,0,0|1,0,1]=4 263 B9R1.6 N=C(N)N1CCOCC1 F16705 [0,1,0,1,0,0|1,0,1]=4 264 B9R1.6 NC(=S)N1CCOCC1 74114 [0,1,0,1,0,0|1,0,1]=4 265 B9R1.6 O=C(Cl)N1CCOCC1 FD10526 [0,1,0,1,0,0|1,0,1]=4 266 B9R1.33 CCCN1CCCC1=O 65466 [0,1,0,1,0,0|1,0,1]=4 267 B9R1.33 CN1CCC[C@@H]1CCO 28910 [0,1,0,1,0,0|2,0,0]=4 268 B9R1.33 NCCN1CCCC1=O 60045 [0,1,0,1,0,0|1,0,1]=4 269 B9R1.33 O=C1CCCN1CCCl 71142 [0,1,0,1,0,0|1,0,1]=4 270 B9R1.33 O=C1CCCN1CCO AT12426 [0,1,0,1,0,0|0,0,1]=3 271 B9R1.33 O=C1NCCN1CCO AT18735 [0,1,0,1,0,0|1,0,1]=4 272 B9R1.33 O=C1OCCN1CCCl W16070 [0,1,0,1,0,0|1,0,1]=4 273 B9R1.33 OCCC1CCCC1O D80870 [0,1,0,1,0,0|1,0,0]=3 274 B9R1.35 CC(=O)N1CC[C@H](N)C1 30699 [0,1,0,1,0,0|1,0,1]=4 275 B9R1.35 CC(=O)N1CC[C@H](O)C1 AB3001 [0,1,0,1,0,0|0,0,1]=3 276 B9R1.35 CC(=O)N1CC[C@H](O)C1 AB3002 [0,1,0,1,0,0|0,0,1]=3 277 B9R1.35 CC(=O)N1CC[C@H](O)C1 AB3003 [0,1,0,1,0,0|0,0,1]=3 278 B9R1.35 CC(C)N1CC[C@H](N)C1 23935 [0,1,0,1,0,0|1,0,0]=3 279 B9R1.35 CC(C)N1CC[C@H](N)C1 P15246 [0,1,0,1,0,0|1,0,0]=3 280 B9R1.35 CC(C)N1CC[C@H](N)C1 P15829 [0,1,0,1,0,0|1,0,0]=3 281 B9R1.2 CCN1CCC[C@H](O)C1 77860 [0,1,0,1,0,0|0,0,0]=2 282 B9R1.2 CNC1CCCC(O)C1 AB7429 [0,1,0,1,0,0|2,0,0]=4 283 B9R1.2 NCC1CCCC(O)C1 31886 [0,1,0,1,0,0|2,0,0]=4 284 B9R1.13 O=C(O)CC1CCCC1 70862 [0,1,0,1,0,0|1,0,1]=4 285 B9R1.13 O=C(O)CN1CCCC1 71481 [0,1,0,1,0,0|0,0,1]=3 286 B9R1.13 O=C(O)CN1CCCC1 F21166 [0,1,0,1,0,0|0,0,1]=3 287 B9R1.11 O=C(CCl)N1CCCC1 71285 [0,1,0,1,0,0|1,0,1]=4 288 B9R1.14 CCN1CCC[C@@H]1CN 23003 [0,1,0,1,0,0|1,0,0]=3 289 B9R1.14 CCN1CCC[C@@H]1CN 51604 [0,1,0,1,0,0|1,0,0]=3 290 B9R1.14 CCN1CCC[C@@H]1CN 51605 [0,1,0,1,0,0|1,0,0]=3 291 B9R1.14 CCN1CCC[C@@H]1CN P10007 [0,1,0,1,0,0|1,0,0]=3 292 B9R1.14 CCN1CCC[C@@H]1CN P10140 [0,1,0,1,0,0|1,0,0]=3 293 B9R1.14 O=NN1CCS[C@H]1CO D95068 [0,1,0,1,0,0|2,0,0]=4 294 B9R1.8 BrCCC1CCCCC1 O10764 [0,1,0,1,0,0|2,0,0]=4 295 B9R1.8 BrCCN1CCOCC1 RB3348 [0,1,0,1,0,0|0,0,0]=2 296 B9R1.8 C#CCN1CCNCC1 A10418 [0,1,0,1,0,0|1,0,1]=4 297 B9R1.8 C#CCN1CCOCC1 32642 [0,1,0,1,0,0|0,0,1]=3 298 B9R1.8 C#CCN1CCSCC1 D84398 [0,1,0,1,0,0|0,1,1]=4 299 B9R1.8 C=CCN1CCOCC1 D88315 [0,1,0,1,0,0|0,0,1]=3 300 B9R1.8 CCCN1CCNCC1 22995 [0,1,0,1,0,0|1,0,0]=3 301 B9R1.8 CCC[C@H]1CCCCN1 Y10685 [0,1,0,1,0,0|2,0,0]=4 302 B9R1.8 CCNC1CCOCC1 20751 [0,1,0,1,0,0|1,0,0]=3 303 B9R1.8 CCOC1CCNCC1 D95786 [0,1,0,1,0,0|2,0,0]=4 304 B9R1.8 CNCC1CCOCC1 28114 [0,1,0,1,0,0|1,0,0]=3 305 B9R1.8 COCC1CCNCC1 64129 [0,1,0,1,0,0|2,0,0]=4 306 B9R1.8 COCC1CCNCC1 P10350 [0,1,0,1,0,0|2,0,0]=4 307 B9R1.8 ClCCN1CCOCC1 35035 [0,1,0,1,0,0|0,0,0]=2 308 B9R1.8 ClCCN1CCOCC1 P16570 [0,1,0,1,0,0|0,0,0]=2 309 B9R1.8 N#CCN1CCOCC1 C78324 [0,1,0,1,0,0|0,0,1]=3 310 B9R1.8 NCCC1=CCCCC1 D87820 [0,1,0,1,0,0|2,0,0]=4 311 B9R1.8 NCCC1CCOCC1 51287 [0,1,0,1,0,0|1,0,0]=3 312 B9R1.8 NCCN1CCCCC1 65590 [0,1,0,1,0,0|1,0,0]=3 313 B9R1.8 NCCN1CCCCC1 P10019 [0,1,0,1,0,0|1,0,0]=3 314 B9R1.8 NCCN1CCOCC1 F13469 [0,1,0,1,0,0|0,0,0]=2 315 B9R1.8 O=CCC1CCOCC1 30303 [0,1,0,1,0,0|1,0,1]=4 316 B9R1.8 OCCC1CCCCC1 AC8984 [0,1,0,1,0,0|1,0,0]=3 317 B9R1.8 OCCC1CCNCC1 F11198 [0,1,0,1,0,0|1,0,0]=3 318 B9R1.8 OCCC1CCNCC1 S11476 [0,1,0,1,0,0|1,0,0]=3 319 B9R1.8 OCCN1CCCCC1 D70541 [0,1,0,1,0,0|0,0,0]=2 320 B9R1.8 OCCN1CCNCC1 P16516 [0,1,0,1,0,0|0,0,0]=2 321 B9R1.8 OCCN1CCOCC1 D77715 [0,1,0,1,0,0|0,0,0]=2 322 B9R1.8 OCC[C@H]1CCCCN1 36636 [0,1,0,1,0,0|1,0,0]=3 323 B9R1.8 OCC[C@H]1CCCCN1 62346 [0,1,0,1,0,0|1,0,0]=3 324 B9R1.8 OCC[C@H]1CCCCN1 P10605 [0,1,0,1,0,0|1,0,0]=3 325 B9R1.8 OCC[C@H]1CCCCO1 F20608 [0,1,0,1,0,0|1,0,0]=3 326 B9R1.8 OCC[C@H]1CCCNC1 65598 [0,1,0,1,0,0|1,0,0]=3 327 B9R1.8 OCC[C@H]1CNCCN1 53864 [0,1,0,1,0,0|2,0,0]=4 328 B9R1.118 CC1(CN)CCOCC1 65992 [0,1,0,1,0,0|2,0,0]=4 329 B9R1.118 CCC1(O)CCCCC1 I11478 [0,1,0,1,0,0|2,0,0]=4 330 B9R1.118 CCC1(O)CCNCC1 38113 [0,1,0,1,0,0|2,0,0]=4 331 B9R1.118 CCC1(O)CCNCC1 P11595 [0,1,0,1,0,0|2,0,0]=4 332 B9R1.118 CC[N+]1(C)CCOCC1 D90597 [0,1,0,1,0,0|0,0,1]=3 333 B9R1.118 NC1(CO)CCOCC1 38678 [0,1,0,1,0,0|2,0,0]=4 334 B9R1.118 NCC1(O)CCOCC1 26524 [0,1,0,1,0,0|2,0,0]=4 335 B9R1.134 CCC[N+]1(C)CCCC1 T72998 [0,1,0,1,0,0|1,0,1]=4 336 B9R2.39 BrC1CC2CCC1C2 D84065 [0,0,0,2,0,0|2,0,0]=4 337 B9R2.39 Br[C@H]1C[C@@H]2CC[C@H]1C2 39383 [0,0,0,2,0,0|2,0,0]=4 338 B9R2.39 N[C@H]1C[C@@H]2CC[C@H]1C2 77740 [0,0,0,2,0,0|2,0,0]=4 339 B9R2.49 C1CN2CCC1CC2 29107 [0,0,0,2,0,0|1,0,0]=3 340 B9R2.49 C1CN2CCN1CC2 D70975 [0,0,0,2,0,0|1,0,0]=3 341 B9R2.174 C1CC2(CCN1)CC2 51771 [0,0,0,2,0,0|2,0,0]=4 342 B9R2.174 C1CC2(CCN1)CC2 80116 [0,0,0,2,0,0|2,0,0]=4 343 B9R2.174 C1CC2(CCO1)CO2 26956 [0,0,0,2,0,0|2,0,0]=4