0 B7R0.1 C#CCCCCCC F10502 [0,0,0,0,0,0|2,0,1]=3 1 B7R0.1 C#CCNCCOC AT20722 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.1 C=CCCCCCC D91846 [0,0,0,0,0,0|2,0,1]=3 3 B7R0.1 C=CCSSCCC D88487 [0,0,0,0,0,0|2,1,1]=4 4 B7R0.1 CC#CCCCCC D91805 [0,0,0,0,0,0|2,0,2]=4 5 B7R0.1 CCC#CCCCC D91806 [0,0,0,0,0,0|2,0,1]=3 6 B7R0.1 CCCC#CCCC D91807 [0,0,0,0,0,0|2,0,1]=3 7 B7R0.1 CCCC#CCCO D90878 [0,0,0,0,0,0|1,0,1]=2 8 B7R0.1 CCCCC#CCO D90877 [0,0,0,0,0,0|1,0,1]=2 9 B7R0.1 CCCCCCC#N D90969 [0,0,0,0,0,0|2,0,1]=3 10 B7R0.1 CCCCCCCC A10542 [0,0,0,0,0,0|2,0,0]=2 11 B7R0.1 CCCCCCCN F17097 [0,0,0,0,0,0|2,0,0]=2 12 B7R0.1 CCCCCCOC D90977 [0,0,0,0,0,0|3,0,0]=3 13 B7R0.1 CCCCCON=O D88264 [0,0,0,0,0,0|3,0,1]=4 14 B7R0.1 CCCCNCCN A10255 [0,0,0,0,0,0|2,0,0]=2 15 B7R0.1 CCCCSCCO T71016 [0,0,0,0,0,0|0,1,0]=1 16 B7R0.1 CCCC\C=C\CO D90932 [0,0,0,0,0,0|1,0,1]=2 17 B7R0.1 CCCNCCOC D91418 [0,0,0,0,0,0|3,0,0]=3 18 B7R0.1 CCCOCCCN D92070 [0,0,0,0,0,0|2,0,0]=2 19 B7R0.1 CCC\C=C/CCC D91812 [0,0,0,0,0,0|2,0,1]=3 20 B7R0.1 CCC\C=C\CCC D91813 [0,0,0,0,0,0|2,0,1]=3 21 B7R0.1 CCNCCCCO D90525 [0,0,0,0,0,0|2,0,0]=2 22 B7R0.1 CCNCCNCC F15441 [0,0,0,0,0,0|4,0,0]=4 23 B7R0.1 CC\C=C/CCCC T71802 [0,0,0,0,0,0|2,0,1]=3 24 B7R0.1 CC\C=C/CCCO D90956 [0,0,0,0,0,0|1,0,2]=3 25 B7R0.1 CC\C=C\CCCC D91811 [0,0,0,0,0,0|2,0,1]=3 26 B7R0.1 CNCCCCOC AT13062 [0,0,0,0,0,0|4,0,0]=4 27 B7R0.1 C\C=C\CCCCC D91810 [0,0,0,0,0,0|2,0,2]=4 28 B7R0.1 NCCSSCCN D97659 [0,0,0,0,0,0|3,1,0]=4 29 B6R0.6 C#CCCCCC 75208 [1,0,0,0,0,0|1,0,1]=3 30 B6R0.6 C#CCCCCCl 79326 [1,0,0,0,0,0|1,0,2]=4 31 B6R0.6 C#CCOCCN AT12489 [1,0,0,0,0,0|1,0,2]=4 32 B6R0.6 C=CCCCCC D90784 [1,0,0,0,0,0|1,0,1]=3 33 B6R0.6 C=CCSCCC F13976 [1,0,0,0,0,0|1,1,1]=4 34 B6R0.6 CC#CCCCC D90868 [1,0,0,0,0,0|1,0,1]=3 35 B6R0.6 CCC#CCCBr D86950 [1,0,0,0,0,0|1,0,2]=4 36 B6R0.6 CCCCCC#N D90798 [1,0,0,0,0,0|1,0,1]=3 37 B6R0.6 CCCCCCN D91063 [1,0,0,0,0,0|1,0,0]=2 38 B6R0.6 CCCCCC[Mg+] D78455 [1,0,0,0,0,0|1,0,0]=2 39 B6R0.6 CCCCCNN AC4196 [1,0,0,0,0,0|2,0,0]=3 40 B6R0.6 CCCCCSC D88262 [1,0,0,0,0,0|2,0,0]=3 41 B6R0.6 CCCCOCC D88684 [1,0,0,0,0,0|0,0,0]=1 42 B6R0.6 CCCC\C=C\I AT25371 [1,0,0,0,0,0|1,0,2]=4 43 B6R0.6 CCCOCCC D91968 [1,0,0,0,0,0|1,0,0]=2 44 B6R0.6 CCCOCCN D88415 [1,0,0,0,0,0|1,0,0]=2 45 B6R0.6 CCCSCCC D91969 [1,0,0,0,0,0|1,1,0]=3 46 B6R0.6 CCCSCCO D92003 [1,0,0,0,0,0|0,1,0]=2 47 B6R0.6 CCC\C=C/CO D90941 [1,0,0,0,0,0|0,0,2]=3 48 B6R0.6 CC\C=C\CCC D90967 [1,0,0,0,0,0|1,0,1]=3 49 B6R0.6 COCCCNN AC7433 [1,0,0,0,0,0|3,0,0]=4 50 B6R0.6 COCCCOC D87951 [1,0,0,0,0,0|3,0,0]=4 51 B6R0.6 CSCCCC#N D86288 [1,0,0,0,0,0|2,0,1]=4 52 B6R0.6 C\C=C/CCCC D90859 [1,0,0,0,0,0|1,0,1]=3 53 B6R0.6 C\C=C/CCCO D90944 [1,0,0,0,0,0|0,0,2]=3 54 B6R0.6 C\C=C\CCCC D90785 [1,0,0,0,0,0|1,0,1]=3 55 B6R0.6 C\C=C\CCCO D71247 [1,0,0,0,0,0|0,0,2]=3 56 B6R0.6 ClCCCCCCl D89643 [1,0,0,0,0,0|2,0,0]=3 57 B6R0.6 N#CCCCCO D77640 [1,0,0,0,0,0|1,0,1]=3 58 B6R0.6 NCCCCCN 24563 [1,0,0,0,0,0|2,0,0]=3 59 B6R0.6 NCCSCCN AT25574 [1,0,0,0,0,0|2,1,0]=4 60 B6R0.6 SCCOCCS AT13657 [1,0,0,0,0,0|1,1,0]=3 61 B8R0.1 CCCCC(=O)CCC T72667 [0,1,0,0,0,0|2,0,0]=3 62 B8R0.1 CCCC[C@@H](O)CCC D91820 [0,1,0,0,0,0|2,0,0]=3 63 B8R0.1 CCOC(=O)NCCO AT13708 [0,1,0,0,0,0|2,0,1]=4 64 B8R0.4 C#CCCCCCCC D91672 [0,1,0,0,0,0|2,0,0]=3 65 B8R0.4 C=CCCCCCCC D91747 [0,1,0,0,0,0|2,0,0]=3 66 B8R0.4 C=CCCCCCCO F14752 [0,1,0,0,0,0|1,0,1]=3 67 B8R0.4 CCCCC#CCCO D91816 [0,1,0,0,0,0|1,0,0]=2 68 B8R0.4 CCCCCC#CCBr D94830 [0,1,0,0,0,0|2,0,1]=4 69 B8R0.4 CCCCCC#CCCl D89416 [0,1,0,0,0,0|2,0,1]=4 70 B8R0.4 CCCCCC#CCO D91880 [0,1,0,0,0,0|1,0,1]=3 71 B8R0.4 CCCCCCCSC D90918 [0,1,0,0,0,0|1,1,0]=3 72 B8R0.4 CCCCCCN=C=O D91170 [0,1,0,0,0,0|1,0,2]=4 73 B8R0.4 CCCCCC\C=C\I AT25372 [0,1,0,0,0,0|2,0,1]=4 74 B8R0.4 CCCCOCCCN 29096 [0,1,0,0,0,0|1,0,0]=2 75 B8R0.4 CCCC[SnH4+2]CCCC D90069 [0,1,0,0,0,0|2,0,0]=3 76 B8R0.4 CCCC\C=C\CCO D91844 [0,1,0,0,0,0|1,0,0]=2 77 B8R0.4 CCC\C=C/CCCC D91694 [0,1,0,0,0,0|2,0,0]=3 78 B8R0.4 CCC\C=C\CCCC D91695 [0,1,0,0,0,0|2,0,0]=3 79 B8R0.4 CC\C=C/CCCCO D91845 [0,1,0,0,0,0|1,0,1]=3 80 B8R0.4 COCCCCCOC D90119 [0,1,0,0,0,0|2,0,0]=3 81 B8R0.4 C\C=C\CCCCCC D91716 [0,1,0,0,0,0|2,0,1]=4 82 B8R0.4 ClCCCCCCCBr D89022 [0,1,0,0,0,0|2,0,0]=3 83 B8R0.4 N#CCCOCCC#N D88655 [0,1,0,0,0,0|2,0,1]=4 84 B8R0.4 [N-]=[N+]=NCCOCCN D87030 [0,1,0,0,0,0|3,0,0]=4 85 B8R0.6 C#C[C@@H](O)CCCCC 51066 [0,1,0,0,0,0|2,0,1]=4 86 B8R0.6 C#C[C@@H](O)CCCCC D91830 [0,1,0,0,0,0|2,0,1]=4 87 B8R0.6 CCCCC[C@@H](C)CC T72102 [0,1,0,0,0,0|2,0,0]=3 88 B8R0.6 CCCCC[C@H](O)CO D90979 [0,1,0,0,0,0|1,0,0]=2 89 B8R0.6 CCCCOC(=O)CCl D89195 [0,1,0,0,0,0|1,0,1]=3 90 B8R0.6 CCCCOC(=O)CF D90645 [0,1,0,0,0,0|1,0,1]=3 91 B8R0.6 COCCOC(=O)CCl D89396 [0,1,0,0,0,0|2,0,1]=4 92 B8R0.7 CCCCCCC(C)C D91311 [0,1,0,0,0,0|2,0,0]=3 93 B8R0.7 CCCCCC[C@H](C)N A12762 [0,1,0,0,0,0|2,0,0]=3 94 B8R0.7 CCC\C=C/CC(=O)O D90865 [0,1,0,0,0,0|1,0,2]=4 95 B8R0.7 NCCCNCC(=O)O D88391 [0,1,0,0,0,0|2,0,1]=4 96 B8R1.2 BrC[C@H]1CCCCO1 N11991 [0,0,0,1,0,0|1,0,0]=2 97 B8R1.2 CC[C@H]1CCCNC1 N10050 [0,0,0,1,0,0|2,0,0]=3 98 B8R1.2 CC[C@H]1CNCCN1 77624 [0,0,0,1,0,0|2,0,0]=3 99 B8R1.2 CC[C@H]1CNCCO1 S12054 [0,0,0,1,0,0|1,0,0]=2 100 B8R1.2 COC1CCCCC1 D91594 [0,0,0,1,0,0|3,0,0]=4 101 B8R1.2 CO[C@H]1CCCNC1 37170 [0,0,0,1,0,0|3,0,0]=4 102 B8R1.2 FC[C@H]1CCCNC1 D76585 [0,0,0,1,0,0|3,0,0]=4 103 B8R1.2 NC[C@H]1COCCO1 F10419 [0,0,0,1,0,0|1,0,0]=2 104 B8R1.2 NOC1CCCCC1 97660 [0,0,0,1,0,0|3,0,0]=4 105 B8R1.2 O=C[C@@H]1CCCCN1 D87999 [0,0,0,1,0,0|1,0,2]=4 106 B8R1.2 OCC1CCNCC1 P19521 [0,0,0,1,0,0|2,0,0]=3 107 B8R1.2 OC[C@H]1CNCCN1 D76640 [0,0,0,1,0,0|2,0,0]=3 108 B8R1.2 OC[C@H]1CNCCO1 F18491 [0,0,0,1,0,0|1,0,0]=2 109 B8R1.2 [C-]#[N+]C1CCCCC1 D89407 [0,0,0,1,0,0|3,0,0]=4 110 B8R1.2 [Mg+]CC1CCCCC1 F16672 [0,0,0,1,0,0|2,0,0]=3 111 B8R1.5 C[C@@H]1CCCC[C@@H]1O D91322 [0,0,0,1,0,0|1,0,0]=2 112 B8R1.5 C[C@H]1CCCC[C@@H]1C D89703 [0,0,0,1,0,0|2,0,0]=3 113 B8R1.5 C[C@H]1CCCC[C@@H]1O T72898 [0,0,0,1,0,0|1,0,0]=2 114 B8R1.5 Cl[C@H]1CCCC[C@@H]1Cl D90017 [0,0,0,1,0,0|3,0,0]=4 115 B8R1.5 N[C@H]1CCCC[C@H]1N C10627 [0,0,0,1,0,0|3,0,0]=4 116 B8R1.5 O=C1CCOC[C@@H]1Cl F13568 [0,0,0,1,0,0|2,0,1]=4 117 B8R1.5 O[C@H]1CCCC[C@H]1O D73189 [0,0,0,1,0,0|2,0,0]=3 118 B8R1.8 COC[C@H]1CCCN1 11151 [0,0,0,1,0,0|3,0,0]=4 119 B8R1.8 ClCCN1CCCC1 F13141 [0,0,0,1,0,0|2,0,0]=3 120 B8R1.8 N#CCC1OCCO1 T70683 [0,0,0,1,0,0|1,0,1]=3 121 B8R1.8 NCCN1CCCC1 65494 [0,0,0,1,0,0|2,0,0]=3 122 B8R1.10 C=CCOC1COC1 T71214 [0,0,0,1,0,0|2,0,1]=4 123 B8R1.11 CN1CCC[C@@H]1CN 37196 [0,0,0,1,0,0|3,0,0]=4 124 B8R1.22 C[C@H]1CCCNCC1 W10113 [0,0,0,1,0,0|2,0,0]=3 125 B8R1.22 NN1CCCCCC1 D88374 [0,0,0,1,0,0|3,0,0]=4 126 B8R1.22 O=C1CCCCCC1 D89253 [0,0,0,1,0,0|1,0,2]=4 127 B8R1.22 O=C1CCOCCO1 T70817 [0,0,0,1,0,0|1,0,1]=3 128 B8R1.22 O[C@H]1CNCCOC1 72606 [0,0,0,1,0,0|1,0,0]=2 129 B8R1.36 C#CCOC[C@H]1CO1 AC9320 [0,0,0,1,0,0|2,0,1]=4 130 B8R1.36 CCCNCC1CC1 Y11019 [0,0,0,1,0,0|2,0,0]=3 131 B8R1.49 C1CCCCCCC1 D89258 [0,0,0,1,0,0|2,0,0]=3 132 B8R1.49 C1CCCNCCC1 H10592 [0,0,0,1,0,0|2,0,0]=3 133 B5R0.2 C=CCOCC D88369 [2,0,0,0,0,0|0,0,2]=4 134 B5R0.2 C=COCCC A10930 [2,0,0,0,0,0|0,0,2]=4 135 B5R0.2 CC#CCCC D90866 [2,0,0,0,0,0|0,0,2]=4 136 B5R0.2 CC#CCCO D92016 [2,0,0,0,0,0|0,0,2]=4 137 B5R0.2 CCC#CCC D90867 [2,0,0,0,0,0|0,0,2]=4 138 B5R0.2 CCCCC#N 28441 [2,0,0,0,0,0|1,0,1]=4 139 B5R0.2 CCCCCI D91072 [2,0,0,0,0,0|1,0,0]=3 140 B5R0.2 CCCCOC D91343 [2,0,0,0,0,0|0,0,0]=2 141 B5R0.2 CCCCSC T71148 [2,0,0,0,0,0|0,1,0]=3 142 B5R0.2 CCCC[NH2+]C D91287 [2,0,0,0,0,0|1,0,0]=3 143 B5R0.2 CCCOCC D90426 [2,0,0,0,0,0|0,0,0]=2 144 B5R0.2 CCCSCC H10827 [2,0,0,0,0,0|0,1,0]=3 145 B5R0.2 CCCSSC D91531 [2,0,0,0,0,0|1,1,0]=4 146 B5R0.2 CCC\C=N/O D88680 [2,0,0,0,0,0|1,0,1]=4 147 B5R0.2 CCOCCBr D95434 [2,0,0,0,0,0|1,0,0]=3 148 B5R0.2 CCOCC[NH3+] D90462 [2,0,0,0,0,0|1,0,0]=3 149 B5R0.2 CC[Se][Se]CC T71152 [2,0,0,0,0,0|1,1,0]=4 150 B5R0.2 CC\C=C/CC D90855 [2,0,0,0,0,0|0,0,2]=4 151 B5R0.2 CC\C=C/CO 23141 [2,0,0,0,0,0|0,0,2]=4 152 B5R0.2 CC\C=C\CC D82999 [2,0,0,0,0,0|0,0,2]=4 153 B5R0.2 C\C=C/OCC D90589 [2,0,0,0,0,0|0,0,2]=4 154 B5R0.2 C\C=C\CCC D90853 [2,0,0,0,0,0|0,0,2]=4 155 B5R0.2 N#CCCCO D77639 [2,0,0,0,0,0|1,0,1]=4 156 B5R0.2 SCCCCS D88698 [2,0,0,0,0,0|1,1,0]=4 157 B7R0.3 C=C(CC)CCCC D90439 [1,1,0,0,0,0|1,0,0]=3 158 B7R0.3 CCC(=O)NCCO D90897 [1,1,0,0,0,0|1,0,1]=4 159 B7R0.3 CCCC[C@@H](Br)CC D88770 [1,1,0,0,0,0|1,0,0]=3 160 B7R0.3 CCCC[C@@H](C)CC D91318 [1,1,0,0,0,0|1,0,0]=3 161 B7R0.3 CCCN[C@@H](C)CC D88748 [1,1,0,0,0,0|2,0,0]=4 162 B7R0.3 CCCOC(=O)CN 77506 [1,1,0,0,0,0|1,0,1]=4 163 B7R0.3 CCC\C=C(/C)CC D91421 [1,1,0,0,0,0|1,0,1]=4 164 B7R0.3 CC[C@H](C)CCCO T71938 [1,1,0,0,0,0|0,0,0]=2 165 B7R0.3 CC\C=C\[C@@H](C)CC T71711 [1,1,0,0,0,0|1,0,1]=4 166 B7R0.3 CSCC[C@H](N)CO A10464 [1,1,0,0,0,0|1,0,0]=3 167 B7R0.3 CSCC[C@H](N)CO F11073 [1,1,0,0,0,0|1,0,0]=3 168 B7R0.4 C=C(C)CCCCC D91350 [1,1,0,0,0,0|1,0,1]=4 169 B7R0.4 CC(=O)NCCCO W12709 [1,1,0,0,0,0|1,0,1]=4 170 B7R0.4 CC(C)CSCCO D91112 [1,1,0,0,0,0|0,1,0]=3 171 B7R0.4 CC(C)NCCCN D91145 [1,1,0,0,0,0|2,0,0]=4 172 B7R0.4 CCC#CC[C@H](C)O D90879 [1,1,0,0,0,0|0,0,2]=4 173 B7R0.4 CCCCCC(C)C D91346 [1,1,0,0,0,0|1,0,0]=3 174 B7R0.4 CCCCC[C@H](C)Cl D89310 [1,1,0,0,0,0|1,0,0]=3 175 B7R0.4 CCCCC[C@H](C)N E70476 [1,1,0,0,0,0|1,0,0]=3 176 B7R0.4 CCCCC[C@H](C)O D97162 [1,1,0,0,0,0|0,0,0]=2 177 B7R0.4 CCCCOC(Cl)Cl D90026 [1,1,0,0,0,0|1,0,0]=3 178 B7R0.4 CCOCCC(=O)O F11739 [1,1,0,0,0,0|1,0,1]=4 179 B7R0.4 CCOCCC(C)=O D90475 [1,1,0,0,0,0|0,0,1]=3 180 B7R0.4 CN(C)CCCCN 77514 [1,1,0,0,0,0|2,0,0]=4 181 B7R0.4 CN(C)CCCCO O11091 [1,1,0,0,0,0|1,0,0]=3 182 B7R0.4 COCCNC(C)C D91419 [1,1,0,0,0,0|2,0,0]=4 183 B7R0.4 NCCCCC(=O)O T70410 [1,1,0,0,0,0|1,0,1]=4 184 B7R0.4 O=C(O)CCCCO C72352 [1,1,0,0,0,0|1,0,1]=4 185 B7R0.4 OCCOCC(F)F AT25469 [1,1,0,0,0,0|1,0,0]=3 186 B7R0.7 CCCC(C)CCC D91347 [1,1,0,0,0,0|1,0,0]=3 187 B7R0.7 CCOS(=O)OCC D95289 [1,1,0,0,0,0|2,0,0]=4 188 B7R0.7 CCO[Si](C)OCC D90057 [1,1,0,0,0,0|1,1,0]=4 189 B7R0.7 O=C(CCO)CCO 20750 [1,1,0,0,0,0|1,0,1]=4 190 B9R0.5 CCCCCC(=O)CCC D91706 [0,2,0,0,0,0|2,0,0]=4 191 B9R0.5 CCCCC[C@@H](O)CCC D91683 [0,2,0,0,0,0|2,0,0]=4 192 B9R0.18 CCCCS(=O)CCCC D89802 [0,2,0,0,0,0|1,1,0]=4 193 B9R0.18 CCCOS(=O)OCCC D89746 [0,2,0,0,0,0|2,0,0]=4 194 B9R0.34 CCCC(=O)O[C@@H](C)CC D89025 [0,2,0,0,0,0|1,0,1]=4 195 B9R0.66 CCCCC(C)(C)CCC D89813 [0,2,0,0,0,0|2,0,0]=4 196 B9R0.2 CCCCCCCC(C)C D91304 [0,2,0,0,0,0|2,0,0]=4 197 B9R0.2 CCCCCCC[13C](=O)O 41418 [0,2,0,0,0,0|1,0,0]=3 198 B9R0.2 CCCCCCC[13C](=O)[O-] 41397 [0,2,0,0,0,0|1,0,1]=4 199 B9R0.2 CCCCCCC[C@H](C)O D97855 [0,2,0,0,0,0|1,0,0]=3 200 B9R0.2 CCCC\C=C\CC(=O)O D84200 [0,2,0,0,0,0|1,0,1]=4 201 B9R0.2 CN(C)CCCCCCO D89905 [0,2,0,0,0,0|1,0,0]=3 202 B9R0.45 CCCC#CCCCCC D89808 [0,2,0,0,0,0|2,0,0]=4 203 B9R0.45 CCCCCC#CCCO D91697 [0,2,0,0,0,0|1,0,0]=3 204 B9R0.45 CCCCCCC#CCO D91780 [0,2,0,0,0,0|1,0,0]=3 205 B9R0.45 CCCCCCCCCC S11595 [0,2,0,0,0,0|2,0,0]=4 206 B9R0.45 CCCCCCCCCCl D89217 [0,2,0,0,0,0|2,0,0]=4 207 B9R0.45 CCCCCCCCCN D91670 [0,2,0,0,0,0|2,0,0]=4 208 B9R0.45 CCCCCCCCSC D91326 [0,2,0,0,0,0|1,1,0]=4 209 B9R0.45 CCCCCCCN=C=O D91173 [0,2,0,0,0,0|1,0,1]=4 210 B9R0.45 CCCCCC\C=C\CO D91737 [0,2,0,0,0,0|1,0,0]=3 211 B9R0.45 CCCCC\C=C/CCO D91738 [0,2,0,0,0,0|1,0,0]=3 212 B9R0.45 CCCC\C=C/CCCC T71292 [0,2,0,0,0,0|2,0,0]=4 213 B9R0.45 CC\C=C\C\C=C\CCO D91741 [0,2,0,0,0,0|1,0,1]=4 214 B9R0.45 OCCCCCCC#CI AT14269 [0,2,0,0,0,0|1,0,1]=4 215 B9R0.45 OCCNCCOCCO AT13064 [0,2,0,0,0,0|0,0,0]=2 216 B9R0.46 C=C[C@@H](O)CCCCCC D91710 [0,2,0,0,0,0|1,0,0]=3 217 B9R0.46 CCCCCCC(=O)CC D91660 [0,2,0,0,0,0|2,0,0]=4 218 B9R0.46 CCCCCC[C@@H](O)CC D91682 [0,2,0,0,0,0|1,0,0]=3 219 B9R0.46 CC[C@H](C)CCCCCO C74966 [0,2,0,0,0,0|1,0,0]=3 220 B9R0.46 COC(=O)COCCCBr AC2376 [0,2,0,0,0,0|1,0,1]=4 221 B9R0.20 CCCCCC(C)(C)CC D89812 [0,2,0,0,0,0|2,0,0]=4 222 B9R0.47 CCCCC[C@H](O)C(C)C D91351 [0,2,0,0,0,0|2,0,0]=4 223 B9R0.47 CCCCOC(=O)[C@H](C)Br D88736 [0,2,0,0,0,0|1,0,1]=4 224 B9R0.38 CCCCCCP(=O)(O)O T72503 [0,2,0,0,0,0|2,0,0]=4 225 B9R0.38 CCCCNCC(F)(F)F D84270 [0,2,0,0,0,0|2,0,0]=4 226 B9R0.55 CC(=O)CCOCC(C)C D91117 [0,2,0,0,0,0|1,0,1]=4 227 B7R1.1 CCC1=CCCC1 T72078 [1,0,0,1,0,0|1,0,1]=4 228 B7R1.1 CNC1CCCC1 35688 [1,0,0,1,0,0|2,0,0]=4 229 B7R1.1 CN[C@H]1CCNC1 C14693 [1,0,0,1,0,0|2,0,0]=4 230 B7R1.1 NC[C@H]1CCCO1 S10918 [1,0,0,1,0,0|1,0,0]=3 231 B7R1.1 OC[C@H]1CCCN1 11149 [1,0,0,1,0,0|1,0,0]=3 232 B7R1.3 C[C@@H]1C=CCCC1 D91429 [1,0,0,1,0,0|1,0,1]=4 233 B7R1.3 C[C@@H]1CC=CCC1 D91581 [1,0,0,1,0,0|1,0,1]=4 234 B7R1.3 C[C@H]1CCOCO1 D91290 [1,0,0,1,0,0|0,0,0]=2 235 B7R1.3 ClC1CCNCC1 F14708 [1,0,0,1,0,0|2,0,0]=4 236 B7R1.3 FC1CCCCC1 H10408 [1,0,0,1,0,0|1,0,0]=3 237 B7R1.3 F[C@H]1CCCNC1 P18988 [1,0,0,1,0,0|2,0,0]=4 238 B7R1.3 NC1CCCCC1 D89563 [1,0,0,1,0,0|1,0,0]=3 239 B7R1.3 N[C@H]1CCCNC1 C13585 [1,0,0,1,0,0|2,0,0]=4 240 B7R1.4 ClC1CCOC1Cl D89753 [1,0,0,1,0,0|2,0,0]=4 241 B7R1.4 N[C@@H]1COC[C@@H]1N P15642 [1,0,0,1,0,0|2,0,0]=4 242 B7R1.4 O[C@H]1CCC[C@@H]1O F52991 [1,0,0,1,0,0|1,0,0]=3 243 B7R1.4 O[C@H]1COC[C@H]1O P15622 [1,0,0,1,0,0|1,0,0]=3 244 B7R1.6 CNCC1CCC1 F20091 [1,0,0,1,0,0|2,0,0]=4 245 B7R1.6 COCC1CCN1 P15056 [1,0,0,1,0,0|2,0,0]=4 246 B7R1.7 CCCC[C@H]1CO1 D90517 [1,0,0,1,0,0|0,0,0]=2 247 B7R1.7 CCOC[C@H]1CO1 S11916 [1,0,0,1,0,0|1,0,0]=3 248 B7R1.24 C1=CCCCCC1 D89286 [1,0,0,1,0,0|1,0,1]=4 249 B7R1.24 C1CCCCCC1 D89252 [1,0,0,1,0,0|1,0,0]=3 250 B7R1.24 C1CCCOCC1 D90874 [1,0,0,1,0,0|0,0,0]=2 251 B9R1.2 CCC1CCCC(C)C1 D90512 [0,1,0,1,0,0|2,0,0]=4 252 B9R1.2 CCC1CCCC(O)C1 AC6164 [0,1,0,1,0,0|1,0,0]=3 253 B9R1.2 COC1CCCC(O)C1 P16568 [0,1,0,1,0,0|2,0,0]=4 254 B9R1.7 NCCN1CC[C@H](O)C1 S11096 [0,1,0,1,0,0|2,0,0]=4 255 B9R1.8 BrCCN1CCOCC1 75915 [0,1,0,1,0,0|2,0,0]=4 256 B9R1.8 C=CCC1CCCCC1 D88393 [0,1,0,1,0,0|2,0,0]=4 257 B9R1.8 C=CO[C@@H]1CCCCO1 92028 [0,1,0,1,0,0|1,0,1]=4 258 B9R1.8 CCCC1CCCCC1 D91999 [0,1,0,1,0,0|2,0,0]=4 259 B9R1.8 CCC[C@H]1CCCCN1 F16896 [0,1,0,1,0,0|2,0,0]=4 260 B9R1.8 CCO[C@H]1CCCNC1 61512 [0,1,0,1,0,0|2,0,0]=4 261 B9R1.8 ClCCN1CCCCC1 D87923 [0,1,0,1,0,0|2,0,0]=4 262 B9R1.8 NCCN1CCSCC1 H11857 [0,1,0,1,0,0|2,0,0]=4 263 B9R1.8 OCCC1SCCCS1 D80727 [0,1,0,1,0,0|1,1,0]=4 264 B9R1.8 OCC[C@H]1CNCCN1 F13481 [0,1,0,1,0,0|2,0,0]=4 265 B9R1.12 CNCCC1OCCO1 T71765 [0,1,0,1,0,0|0,0,0]=2 266 B9R1.12 CNCCN1CCCC1 F14222 [0,1,0,1,0,0|2,0,0]=4 267 B9R1.12 O=CCCC1CCCC1 F16152 [0,1,0,1,0,0|1,0,1]=4 268 B9R1.22 O=C1C[C@H](O)[C@@H](CO)O1 81442 [0,1,0,1,0,0|1,0,1]=4 269 B9R1.33 CN1CCC[C@@H]1CCCl D87704 [0,1,0,1,0,0|2,0,0]=4 270 B9R1.69 CC1CCC(O)CC1C F20428 [0,1,0,1,0,0|2,0,0]=4 271 B9R1.69 O[C@@H]1C[C@@H](O)[C@@H](O)CO1 S11335 [0,1,0,1,0,0|1,0,0]=3 272 B9R1.14 CN[C@H]1CNC[C@@H]1OC P12200 [0,1,0,1,0,0|2,0,0]=4 273 B9R1.89 NCC1CCCCCC1 C10073 [0,1,0,1,0,0|2,0,0]=4 274 B9R1.1 CC1CCC(CN)CC1 C78152 [0,1,0,1,0,0|2,0,0]=4 275 B9R1.1 CCC1CCC(C)CC1 T72381 [0,1,0,1,0,0|2,0,0]=4 276 B9R1.1 CCC1CCC(N)CC1 AT14233 [0,1,0,1,0,0|2,0,0]=4 277 B9R1.1 NCC1CCC(N)CC1 D88555 [0,1,0,1,0,0|2,0,0]=4 278 B9R1.3 CC1CCCC(C)C1O D89887 [0,1,0,1,0,0|1,0,0]=3 279 B9R1.3 OC1CCCC(O)C1O D89358 [0,1,0,1,0,0|2,0,0]=4 280 B9R1.118 C[C@]1(CO)CCCNC1 P10696 [0,1,0,1,0,0|2,0,0]=4 281 B9R1.118 NCC1(O)CCCCC1 D75568 [0,1,0,1,0,0|2,0,0]=4 282 B9R1.6 CC(C)[C@@H]1CCCCN1 N12427 [0,1,0,1,0,0|2,0,0]=4 283 B9R1.6 O=C(O)[C@@H]1CNCCO1 77637 [0,1,0,1,0,0|1,0,1]=4 284 B9R1.148 CC1(N)CCCCCC1 E72834 [0,1,0,1,0,0|2,0,0]=4 285 B9R2.39 NC1CC2CCC1C2 AT24386 [0,0,0,2,0,0|2,0,0]=4 286 B9R2.39 N[C@H]1C[C@H]2CC[C@@H]1C2 28297 [0,0,0,2,0,0|2,0,0]=4 287 B9R2.39 OC1CC2CCC1C2 AT23095 [0,0,0,2,0,0|1,0,0]=3 288 B9R2.39 O[C@H]1C[C@@H]2CC[C@H]1C2 D73283 [0,0,0,2,0,0|1,0,0]=3 289 B9R2.3 C1C[C@@H]2CNC[C@@H]2C1 H11457 [0,0,0,2,0,0|2,0,0]=4