0 B8R0.6 C#C[C@@H](O)CCCCC 51066 [0,0,0,0,0,0|0,0,2]=2 1 B8R0.6 C#C[C@@H](O)CCCCC D91830 [0,0,0,0,0,0|0,0,2]=2 2 B8R0.6 CCCCC[C@@H](C)CC T72102 [0,0,0,0,0,0|1,0,0]=1 3 B8R0.6 CCCCC[C@H](O)CO D90979 [0,0,0,0,0,0|1,0,0]=1 4 B8R0.6 CCCCOC(=O)CCl D89195 [0,0,0,0,0,0|2,0,2]=4 5 B8R0.6 CCCCOC(=O)CF D90645 [0,0,0,0,0,0|2,0,2]=4 6 B8R0.6 CCCSCC(=O)OC 35926 [0,0,0,0,0,0|2,0,2]=4 7 B7R0.1 C#CCCCCCC F10502 [1,0,0,0,0,0|0,0,2]=3 8 B7R0.1 C=CCCCCCC D91846 [1,0,0,0,0,0|0,0,2]=3 9 B7R0.1 CC#CCCCCC D91805 [1,0,0,0,0,0|0,0,2]=3 10 B7R0.1 CCC#CCCCC D91806 [1,0,0,0,0,0|0,0,2]=3 11 B7R0.1 CCCC#CCCC D91807 [1,0,0,0,0,0|0,0,2]=3 12 B7R0.1 CCCC#CCCO D90878 [1,0,0,0,0,0|1,0,2]=4 13 B7R0.1 CCCCC#CCO D90877 [1,0,0,0,0,0|1,0,2]=4 14 B7R0.1 CCCCCCC#N D90969 [1,0,0,0,0,0|1,0,1]=3 15 B7R0.1 CCCCCCCC A10542 [1,0,0,0,0,0|0,0,0]=1 16 B7R0.1 CCCCCCCN F17097 [1,0,0,0,0,0|1,0,0]=2 17 B7R0.1 CCCCCCOC D90977 [1,0,0,0,0,0|1,0,0]=2 18 B7R0.1 CCCCCON=O D88264 [1,0,0,0,0,0|3,0,0]=4 19 B7R0.1 CCCCNCCN A10255 [1,0,0,0,0,0|2,0,0]=3 20 B7R0.1 CCCCSCCO T71016 [1,0,0,0,0,0|2,0,0]=3 21 B7R0.1 CCCC\C=C\CO D90932 [1,0,0,0,0,0|1,0,2]=4 22 B7R0.1 CCCNCCOC D91418 [1,0,0,0,0,0|2,0,0]=3 23 B7R0.1 CCCOCCCN D92070 [1,0,0,0,0,0|2,0,0]=3 24 B7R0.1 CCC\C=C/CCC D91812 [1,0,0,0,0,0|0,0,2]=3 25 B7R0.1 CCC\C=C\CCC D91813 [1,0,0,0,0,0|0,0,2]=3 26 B7R0.1 CCNCCCCO D90525 [1,0,0,0,0,0|2,0,0]=3 27 B7R0.1 CCNCCNCC F15441 [1,0,0,0,0,0|2,0,0]=3 28 B7R0.1 CC\C=C/CCCC T71802 [1,0,0,0,0,0|0,0,2]=3 29 B7R0.1 CC\C=C/CCCO D90956 [1,0,0,0,0,0|1,0,2]=4 30 B7R0.1 CC\C=C\CCCC D91811 [1,0,0,0,0,0|0,0,2]=3 31 B7R0.1 CNCCCCOC AT13062 [1,0,0,0,0,0|2,0,0]=3 32 B7R0.1 C\C=C\CCCCC D91810 [1,0,0,0,0,0|0,0,2]=3 33 B7R0.3 C=C(CC)CCCC D90439 [1,0,0,0,0,0|1,0,1]=3 34 B7R0.3 CCCC[C@@H](Br)CC D88770 [1,0,0,0,0,0|1,0,0]=2 35 B7R0.3 CCCC[C@@H](C)CC D91318 [1,0,0,0,0,0|1,0,0]=2 36 B7R0.3 CCCN[C@@H](C)CC D88748 [1,0,0,0,0,0|2,0,0]=3 37 B7R0.3 CCC\C=C(/C)CC D91421 [1,0,0,0,0,0|1,0,2]=4 38 B7R0.3 CC[C@H](C)CCCO T71938 [1,0,0,0,0,0|2,0,0]=3 39 B7R0.3 CC\C=C\[C@@H](C)CC T71711 [1,0,0,0,0,0|1,0,2]=4 40 B7R0.3 CSCC[C@H](N)CO A10464 [1,0,0,0,0,0|3,0,0]=4 41 B7R0.3 CSCC[C@H](N)CO F11073 [1,0,0,0,0,0|3,0,0]=4 42 B7R0.4 C=C(C)CCCCC D91350 [1,0,0,0,0,0|1,0,1]=3 43 B7R0.4 CC(C)CSCCO D91112 [1,0,0,0,0,0|3,0,0]=4 44 B7R0.4 CC(C)NCCCN D91145 [1,0,0,0,0,0|3,0,0]=4 45 B7R0.4 CCC#CC[C@H](C)O D90879 [1,0,0,0,0,0|0,0,2]=3 46 B7R0.4 CCCCCC(C)C D91346 [1,0,0,0,0,0|1,0,0]=2 47 B7R0.4 CCCCC[C@H](C)Cl D89310 [1,0,0,0,0,0|1,0,0]=2 48 B7R0.4 CCCCC[C@H](C)N E70476 [1,0,0,0,0,0|1,0,0]=2 49 B7R0.4 CCCCC[C@H](C)O D97162 [1,0,0,0,0,0|0,0,0]=1 50 B7R0.4 CCCCOC(Cl)Cl D90026 [1,0,0,0,0,0|3,0,0]=4 51 B7R0.4 CCOCCC(=O)O F11739 [1,0,0,0,0,0|2,0,1]=4 52 B7R0.4 CCOCCC(C)=O D90475 [1,0,0,0,0,0|1,0,2]=4 53 B7R0.4 CN(C)CCCCN 77514 [1,0,0,0,0,0|3,0,0]=4 54 B7R0.4 CN(C)CCCCO O11091 [1,0,0,0,0,0|3,0,0]=4 55 B7R0.4 COCCNC(C)C D91419 [1,0,0,0,0,0|3,0,0]=4 56 B7R0.4 NCCCCC(=O)O T70410 [1,0,0,0,0,0|2,0,1]=4 57 B7R0.4 O=C(O)CCCCO C72352 [1,0,0,0,0,0|2,0,1]=4 58 B9R0.1 CC[C@H](C)CCOC(C)=O D88426 [0,1,0,0,0,0|2,0,1]=4 59 B9R0.5 CCCCCC(=O)CCC D91706 [0,1,0,0,0,0|0,0,2]=3 60 B9R0.5 CCCCC[C@@H](O)CCC D91683 [0,1,0,0,0,0|0,0,0]=1 61 B9R0.20 CCCCCC(C)(C)CC D89812 [0,1,0,0,0,0|1,0,0]=2 62 B9R0.34 CCCC(=O)O[C@@H](C)CC D89025 [0,1,0,0,0,0|2,0,1]=4 63 B9R0.46 C=C[C@@H](O)CCCCCC D91710 [0,1,0,0,0,0|0,0,2]=3 64 B9R0.46 CCCCCCC(=O)CC D91660 [0,1,0,0,0,0|0,0,2]=3 65 B9R0.46 CCCCCC[C@@H](O)CC D91682 [0,1,0,0,0,0|0,0,0]=1 66 B9R0.46 CC[C@H](C)CCCCCO C74966 [0,1,0,0,0,0|1,0,0]=2 67 B9R0.47 CCCCC[C@H](O)C(C)C D91351 [0,1,0,0,0,0|0,0,0]=1 68 B9R0.47 CCCCOC(=O)[C@H](C)Br D88736 [0,1,0,0,0,0|1,0,2]=4 69 B9R0.50 CCNCCN(CC)CC D92386 [0,1,0,0,0,0|3,0,0]=4 70 B9R0.50 COC(CCCCN)OC C10469 [0,1,0,0,0,0|2,0,0]=3 71 B9R1.1 CC1CCC(CN)CC1 C78152 [0,0,0,1,0,0|2,0,0]=3 72 B9R1.1 CCC1CCC(C)CC1 T72381 [0,0,0,1,0,0|1,0,0]=2 73 B9R1.1 CCC1CCC(N)CC1 AT14233 [0,0,0,1,0,0|1,0,0]=2 74 B9R1.1 CNC1CCC(=O)CC1 25123 [0,0,0,1,0,0|1,0,2]=4 75 B9R1.1 CNC1CCN(C)CC1 C78640 [0,0,0,1,0,0|3,0,0]=4 76 B9R1.1 NCC1CCC(N)CC1 D88555 [0,0,0,1,0,0|2,0,0]=3 77 B9R1.2 CCC1CCCC(C)C1 D90512 [0,0,0,1,0,0|1,0,0]=2 78 B9R1.2 CCC1CCCC(O)C1 AC6164 [0,0,0,1,0,0|2,0,0]=3 79 B9R1.2 COC1CCCC(O)C1 P16568 [0,0,0,1,0,0|3,0,0]=4 80 B9R1.3 CC1CCCC(C)C1=O D89826 [0,0,0,1,0,0|2,0,1]=4 81 B9R1.3 CC1CCCC(C)C1O D89887 [0,0,0,1,0,0|2,0,0]=3 82 B9R1.3 C[C@H]1CNC[C@@H](C)N1C E72327 [0,0,0,1,0,0|3,0,0]=4 83 B9R1.3 OC1CCCC(O)C1O D89358 [0,0,0,1,0,0|2,0,0]=3 84 B9R1.7 NCCN1CC[C@H](O)C1 S11096 [0,0,0,1,0,0|2,0,0]=3 85 B9R1.11 CNC(=O)C1CCCC1 D76478 [0,0,0,1,0,0|1,0,2]=4 86 B9R1.49 CN1CCCC(=O)CC1 25775 [0,0,0,1,0,0|1,0,2]=4 87 B9R1.89 NCC1CCCCCC1 C10073 [0,0,0,1,0,0|2,0,0]=3 88 B9R1.118 C#CC1(N)CCCCC1 E72550 [0,0,0,1,0,0|1,0,2]=4 89 B9R1.118 C[C@]1(CO)CCCNC1 P10696 [0,0,0,1,0,0|3,0,0]=4 90 B9R1.118 N#CC1(N)CCCCC1 20141 [0,0,0,1,0,0|2,0,1]=4 91 B9R1.118 N#CC1(O)CCCCC1 F53384 [0,0,0,1,0,0|1,0,1]=3 92 B9R1.118 N#CC1(O)CCOCC1 C78260 [0,0,0,1,0,0|2,0,1]=4 93 B9R1.118 NCC1(O)CCCCC1 D75568 [0,0,0,1,0,0|1,0,0]=2 94 B6R0.6 C#CCCCCC 75208 [2,0,0,0,0,0|0,0,2]=4 95 B6R0.6 C=CCCCCC D90784 [2,0,0,0,0,0|0,0,2]=4 96 B6R0.6 CC#CCCCC D90868 [2,0,0,0,0,0|0,0,2]=4 97 B6R0.6 CCCCCC#N D90798 [2,0,0,0,0,0|1,0,1]=4 98 B6R0.6 CCCCCCN D91063 [2,0,0,0,0,0|1,0,0]=3 99 B6R0.6 CCCCCC[Mg+] D78455 [2,0,0,0,0,0|1,0,0]=3 100 B6R0.6 CCCCCNN AC4196 [2,0,0,0,0,0|2,0,0]=4 101 B6R0.6 CCCCCSC D88262 [2,0,0,0,0,0|1,0,0]=3 102 B6R0.6 CCCCOCC D88684 [2,0,0,0,0,0|1,0,0]=3 103 B6R0.6 CCCOCCC D91968 [2,0,0,0,0,0|1,0,0]=3 104 B6R0.6 CCCOCCN D88415 [2,0,0,0,0,0|2,0,0]=4 105 B6R0.6 CCCSCCC D91969 [2,0,0,0,0,0|1,0,0]=3 106 B6R0.6 CCCSCCO D92003 [2,0,0,0,0,0|1,0,0]=3 107 B6R0.6 CCC\C=C/CO D90941 [2,0,0,0,0,0|0,0,2]=4 108 B6R0.6 CC\C=C\CCC D90967 [2,0,0,0,0,0|0,0,2]=4 109 B6R0.6 COCCCOC D87951 [2,0,0,0,0,0|2,0,0]=4 110 B6R0.6 C\C=C/CCCC D90859 [2,0,0,0,0,0|0,0,2]=4 111 B6R0.6 C\C=C/CCCO D90944 [2,0,0,0,0,0|0,0,2]=4 112 B6R0.6 C\C=C\CCCC D90785 [2,0,0,0,0,0|0,0,2]=4 113 B6R0.6 C\C=C\CCCO D71247 [2,0,0,0,0,0|0,0,2]=4 114 B6R0.6 ClCCCCCCl D89643 [2,0,0,0,0,0|2,0,0]=4 115 B6R0.6 N#CCCCCO D77640 [2,0,0,0,0,0|1,0,1]=4 116 B6R0.6 NCCCCCN 24563 [2,0,0,0,0,0|2,0,0]=4 117 B6R0.1 C#CC[C@@H](O)CC D90880 [2,0,0,0,0,0|0,0,2]=4 118 B6R0.1 C#C[C@@H](O)CCC D90806 [2,0,0,0,0,0|0,0,2]=4 119 B6R0.1 CCC[C@@H](C)CC D91320 [2,0,0,0,0,0|1,0,0]=3 120 B6R0.1 CCC[C@@H](O)CC F16582 [2,0,0,0,0,0|0,0,0]=2 121 B6R0.1 CCC[C@H](N)CO A10465 [2,0,0,0,0,0|2,0,0]=4 122 B6R0.1 CCC[C@H](N)CO A10469 [2,0,0,0,0,0|2,0,0]=4 123 B6R0.1 CC[C@H](C)CCO D91364 [2,0,0,0,0,0|2,0,0]=4 124 B6R0.1 CC[C@H](C)CCO T72450 [2,0,0,0,0,0|2,0,0]=4 125 B6R0.4 C=C(C)CCCC D91349 [2,0,0,0,0,0|1,0,1]=4 126 B6R0.4 CCCCC(C)C D91294 [2,0,0,0,0,0|1,0,0]=3 127 B6R0.4 CCCC[C@H](C)Br D88771 [2,0,0,0,0,0|1,0,0]=3 128 B6R0.4 CCCC[C@H](C)Cl D89320 [2,0,0,0,0,0|1,0,0]=3 129 B6R0.4 CCCC[C@H](C)N A12776 [2,0,0,0,0,0|1,0,0]=3 130 B6R0.4 CCCC[C@H](C)O D97165 [2,0,0,0,0,0|0,0,0]=2 131 B6R0.4 CCCC[C@H](C)O D97166 [2,0,0,0,0,0|0,0,0]=2 132 B6R0.4 CCCSC(C)C D92018 [2,0,0,0,0,0|2,0,0]=4 133 B6R0.4 CCNC[C@H](C)O D90604 [2,0,0,0,0,0|1,0,0]=3 134 B6R0.4 CNCCC(C)C D72652 [2,0,0,0,0,0|2,0,0]=4 135 B8R0.1 CCCCC(=O)CCC T72667 [1,1,0,0,0,0|0,0,1]=3 136 B8R0.1 CCCC[C@@H](O)CCC D91820 [1,1,0,0,0,0|0,0,0]=2 137 B8R0.4 C#CCCCCCCC D91672 [1,1,0,0,0,0|0,0,1]=3 138 B8R0.4 C=CCCCCCCC D91747 [1,1,0,0,0,0|0,0,1]=3 139 B8R0.4 C=CCCCCCCO F14752 [1,1,0,0,0,0|0,0,2]=4 140 B8R0.4 CCCCC#CCCO D91816 [1,1,0,0,0,0|0,0,2]=4 141 B8R0.4 CCCCCC#CCBr D94830 [1,1,0,0,0,0|0,0,2]=4 142 B8R0.4 CCCCCC#CCCl D89416 [1,1,0,0,0,0|0,0,2]=4 143 B8R0.4 CCCCCC#CCO D91880 [1,1,0,0,0,0|0,0,2]=4 144 B8R0.4 CCCCCCCSC D90918 [1,1,0,0,0,0|0,0,0]=2 145 B8R0.4 CCCCCCN=C=O D91170 [1,1,0,0,0,0|1,0,1]=4 146 B8R0.4 CCCCCC\C=C\I AT25372 [1,1,0,0,0,0|0,0,2]=4 147 B8R0.4 CCCCOCCCN 29096 [1,1,0,0,0,0|1,0,0]=3 148 B8R0.4 CCCC[SnH4+2]CCCC D90069 [1,1,0,0,0,0|0,0,0]=2 149 B8R0.4 CCCC\C=C\CCO D91844 [1,1,0,0,0,0|0,0,2]=4 150 B8R0.4 CCC\C=C/CCCC D91694 [1,1,0,0,0,0|0,0,1]=3 151 B8R0.4 CCC\C=C\CCCC D91695 [1,1,0,0,0,0|0,0,1]=3 152 B8R0.4 CC\C=C/CCCCO D91845 [1,1,0,0,0,0|0,0,2]=4 153 B8R0.4 COCCCCCOC D90119 [1,1,0,0,0,0|1,0,0]=3 154 B8R0.4 C\C=C\CCCCCC D91716 [1,1,0,0,0,0|0,0,1]=3 155 B8R0.4 ClCCCCCCCBr D89022 [1,1,0,0,0,0|1,0,0]=3 156 B8R0.7 CCCCCCC(C)C D91311 [1,1,0,0,0,0|0,0,0]=2 157 B8R0.7 CCCCCC[C@H](C)N A12762 [1,1,0,0,0,0|0,0,0]=2 158 B8R0.3 CCCC(=O)[C@@H](C)CC D91475 [1,1,0,0,0,0|1,0,1]=4 159 B8R0.9 CC(C)NC[C@H](O)CO AT17752 [1,1,0,0,0,0|2,0,0]=4 160 B8R0.9 CC(C)NC[C@H](O)CO AT17755 [1,1,0,0,0,0|2,0,0]=4 161 B8R0.9 CCC(C)CCC(C)O D91466 [1,1,0,0,0,0|1,0,0]=3 162 B8R0.9 CC[C@H](C)CCC(C)C T70586 [1,1,0,0,0,0|1,0,0]=3 163 B8R0.11 CCCCC(CO)CO 36758 [1,1,0,0,0,0|1,0,0]=3 164 B8R0.19 CCC(C)CC(O)CC D91467 [1,1,0,0,0,0|0,0,0]=2 165 B8R0.19 CCC(C)OC(C)CC D89852 [1,1,0,0,0,0|2,0,0]=4 166 B8R0.19 CCC(C)SC(C)CC F11357 [1,1,0,0,0,0|2,0,0]=4 167 B8R0.19 CC[C@H](O)C[C@@H](O)CC D97167 [1,1,0,0,0,0|0,0,0]=2 168 B8R0.25 CCCCC(C)(C)CC D89811 [1,1,0,0,0,0|1,0,0]=3 169 B8R0.25 CCCC[C@@](C)(O)CC D91413 [1,1,0,0,0,0|0,0,0]=2 170 B8R0.5 C=C(C)C[C@@H](C)CCC D89821 [1,1,0,0,0,0|1,0,1]=4 171 B8R0.28 CC(C)CCCC(=O)O D91448 [1,1,0,0,0,0|1,0,1]=4 172 B8R0.28 CC(C)CCC[C@H](C)N C10809 [1,1,0,0,0,0|1,0,0]=3 173 B8R0.28 CC(C)CCC[C@H](C)N F20422 [1,1,0,0,0,0|1,0,0]=3 174 B8R0.28 CC(C)CCC[C@H](C)O D91384 [1,1,0,0,0,0|0,0,0]=2 175 B8R0.28 CC(C)COCC(C)C D89882 [1,1,0,0,0,0|2,0,0]=4 176 B8R0.28 CC(C)CSCC(C)C D91079 [1,1,0,0,0,0|2,0,0]=4 177 B10R0.1 CCCCCCC(=O)CCC D89875 [0,2,0,0,0,0|0,0,2]=4 178 B10R0.1 CCCCCC[C@@H](O)CCC D89845 [0,2,0,0,0,0|0,0,0]=2 179 B10R0.41 CCN(CC)CCCCCO D90342 [0,2,0,0,0,0|2,0,0]=4 180 B10R0.74 C=C[C@@H](O)CCCCCCC D90165 [0,2,0,0,0,0|0,0,2]=4 181 B10R0.74 CCCCCCCC(=O)CC D89798 [0,2,0,0,0,0|0,0,2]=4 182 B10R0.74 CCCCCCC[C@@H](O)CC D89804 [0,2,0,0,0,0|0,0,0]=2 183 B8R1.2 BrC[C@H]1CCCCO1 N11991 [1,0,0,1,0,0|2,0,0]=4 184 B8R1.2 CC[C@H]1CCCNC1 N10050 [1,0,0,1,0,0|1,0,0]=3 185 B8R1.2 CC[C@H]1CNCCN1 77624 [1,0,0,1,0,0|2,0,0]=4 186 B8R1.2 CC[C@H]1CNCCO1 S12054 [1,0,0,1,0,0|2,0,0]=4 187 B8R1.2 COC1CCCCC1 D91594 [1,0,0,1,0,0|1,0,0]=3 188 B8R1.2 CO[C@H]1CCCNC1 37170 [1,0,0,1,0,0|2,0,0]=4 189 B8R1.2 FC[C@H]1CCCNC1 D76585 [1,0,0,1,0,0|2,0,0]=4 190 B8R1.2 NOC1CCCCC1 97660 [1,0,0,1,0,0|2,0,0]=4 191 B8R1.2 OCC1CCNCC1 P19521 [1,0,0,1,0,0|2,0,0]=4 192 B8R1.2 [C-]#[N+]C1CCCCC1 D89407 [1,0,0,1,0,0|1,0,1]=4 193 B8R1.2 [Mg+]CC1CCCCC1 F16672 [1,0,0,1,0,0|1,0,0]=3 194 B8R1.5 C[C@@H]1CCCC[C@@H]1O D91322 [1,0,0,1,0,0|1,0,0]=3 195 B8R1.5 C[C@H]1CCCC[C@@H]1C D89703 [1,0,0,1,0,0|0,0,0]=2 196 B8R1.5 C[C@H]1CCCC[C@@H]1O T72898 [1,0,0,1,0,0|1,0,0]=3 197 B8R1.5 Cl[C@H]1CCCC[C@@H]1Cl D90017 [1,0,0,1,0,0|2,0,0]=4 198 B8R1.5 N[C@H]1CCCC[C@H]1N C10627 [1,0,0,1,0,0|2,0,0]=4 199 B8R1.5 O[C@H]1CCCC[C@H]1O D73189 [1,0,0,1,0,0|2,0,0]=4 200 B8R1.8 CNC[C@H]1CCOC1 P10682 [1,0,0,1,0,0|2,0,0]=4 201 B8R1.8 COC[C@H]1CCCN1 11151 [1,0,0,1,0,0|2,0,0]=4 202 B8R1.8 ClCCN1CCCC1 F13141 [1,0,0,1,0,0|2,0,0]=4 203 B8R1.8 NCCN1CCCC1 65494 [1,0,0,1,0,0|2,0,0]=4 204 B8R1.11 CN1CCC[C@@H]1CN 37196 [1,0,0,1,0,0|2,0,0]=4 205 B8R1.22 C[C@H]1CCCNCC1 W10113 [1,0,0,1,0,0|1,0,0]=3 206 B8R1.22 NN1CCCCCC1 D88374 [1,0,0,1,0,0|2,0,0]=4 207 B8R1.22 O=C1CCCCCC1 D89253 [1,0,0,1,0,0|1,0,1]=4 208 B8R1.36 CCCNCC1CC1 Y11019 [1,0,0,1,0,0|1,0,0]=3 209 B8R1.49 C1CCCCCCC1 D89258 [1,0,0,1,0,0|0,0,0]=2 210 B8R1.49 C1CCCNCCC1 H10592 [1,0,0,1,0,0|1,0,0]=3 211 B8R1.3 CC1CCC(C)CC1 D89704 [1,0,0,1,0,0|1,0,0]=3 212 B8R1.3 CC1CCC(N)CC1 D91414 [1,0,0,1,0,0|1,0,0]=3 213 B8R1.3 CC1CCC(N)CC1 W10116 [1,0,0,1,0,0|1,0,0]=3 214 B8R1.3 C[C@H]1CC[C@@H](C)CC1 D89914 [1,0,0,1,0,0|1,0,0]=3 215 B8R1.3 C[C@H]1CC[C@@H](O)CC1 D91323 [1,0,0,1,0,0|0,0,0]=2 216 B8R1.3 NC1CCC(O)CC1 AB1056 [1,0,0,1,0,0|1,0,0]=3 217 B8R1.3 N[C@H]1CC[C@@H](O)CC1 N11961 [1,0,0,1,0,0|1,0,0]=3 218 B8R1.52 NCC1(O)CCCC1 W10015 [1,0,0,1,0,0|1,0,0]=3 219 B8R1.4 CC1CCOC(C)O1 D89707 [1,0,0,1,0,0|1,0,0]=3 220 B8R1.4 CC1CNCC(C)O1 F17632 [1,0,0,1,0,0|1,0,0]=3 221 B8R1.4 C[C@H]1CCCC(=O)C1 94623 [1,0,0,1,0,0|0,0,2]=4 222 B8R1.4 C[C@H]1CCC[C@@H](C)C1 D89772 [1,0,0,1,0,0|1,0,0]=3 223 B8R1.4 C[C@H]1CCC[C@H](C)C1 D89771 [1,0,0,1,0,0|1,0,0]=3 224 B8R1.4 C[C@H]1CNC[C@@H](C)N1 H10755 [1,0,0,1,0,0|2,0,0]=4 225 B8R1.4 C[C@H]1CNC[C@H](C)O1 P20445 [1,0,0,1,0,0|1,0,0]=3 226 B8R1.4 NC1CCCC(O)C1 O10943 [1,0,0,1,0,0|1,0,0]=3 227 B8R1.4 N[C@H]1CCC[C@@H](N)C1 F20603 [1,0,0,1,0,0|2,0,0]=4 228 B8R1.7 CC(C)[C@@H]1CCCN1 P10190 [1,0,0,1,0,0|2,0,0]=4 229 B8R1.72 OC1(O)CCNCC1 A10297 [1,0,0,1,0,0|2,0,0]=4 230 B10R1.13 CC(C)C1CCC(N)CC1 D91207 [0,1,0,1,0,0|1,0,0]=3 231 B10R1.13 CC(C)N1CCC(N)CC1 F13672 [0,1,0,1,0,0|2,0,0]=4 232 B10R1.10 CCC[C@H]1CCO[C@@H](C)S1 AC1065 [0,1,0,1,0,0|1,1,0]=4 233 B10R1.21 CCCCCC1CCCC1 T72384 [0,1,0,1,0,0|1,0,0]=3 234 B10R1.85 ClCCN1CCCCCC1 H11734 [0,1,0,1,0,0|2,0,0]=4 235 B10R1.85 NCCC1CCCCCC1 F10354 [0,1,0,1,0,0|1,0,0]=3 236 B10R1.85 NCCN1CCCCCC1 C11319 [0,1,0,1,0,0|2,0,0]=4 237 B10R1.3 CCN1CCC(=NO)CC1 V10026 [0,1,0,1,0,0|1,0,1]=4 238 B10R1.3 CCN1CCC(NC)CC1 F13255 [0,1,0,1,0,0|2,0,0]=4 239 B10R1.473 CN1CCC(O)(CN)CC1 P10553 [0,1,0,1,0,0|2,0,0]=4 240 B10R1.27 NC[C@H](O)CN1CCCC1 F17608 [0,1,0,1,0,0|1,0,0]=3 241 B10R1.1 CC1CCN(CCO)CC1 L10075 [0,1,0,1,0,0|2,0,0]=4 242 B10R1.1 CCNC1CCN(C)CC1 38280 [0,1,0,1,0,0|2,0,0]=4 243 B10R1.1 NC1CCN(CCO)CC1 AT21839 [0,1,0,1,0,0|2,0,0]=4 244 B10R1.487 COC1(OC)CCOCC1 92531 [0,1,0,1,0,0|2,0,0]=4 245 B10R2.409 C1CN2CCC(CC2)N1 H11754 [0,0,0,2,0,0|2,0,0]=4 246 B10R2.25 BrC1C2CCC(C2)C1Br 71470 [0,0,0,2,0,0|2,0,0]=4 247 B10R2.18 C1CCCC2OC2CC1 D90535 [0,0,0,2,0,0|0,0,0]=2