0 B8R0.7 CC(=O)OCCCC=C P160540 [0,0,0,0,0,0|3,0,1]=4 1 B8R0.7 CC(C)NCCCCO I157483 [0,0,0,0,0,0|1,0,2]=3 2 B8R0.7 CC(C)OCCC[N+]#[C-] I300374 [0,0,0,0,0,0|3,0,0]=3 3 B8R0.7 CCCCCCC(=O)C O111186 [0,0,0,0,0,0|2,0,2]=4 4 B8R0.7 CCCCCCC(=O)C O111187 [0,0,0,0,0,0|2,0,2]=4 5 B8R0.7 CCCCCCC(C)Br B152446 [0,0,0,0,0,0|2,0,1]=3 6 B8R0.7 CCCCCCC(C)C M158524 [0,0,0,0,0,0|1,0,1]=2 7 B8R0.7 CCCCCCC(C)N A151716 [0,0,0,0,0,0|2,0,1]=3 8 B8R0.7 CCCCCCC(C)N I169738 [0,0,0,0,0,0|2,0,1]=3 9 B8R0.7 CCCCCCC(C)O O111525 [0,0,0,0,0,0|2,0,1]=3 10 B8R0.7 CCCCCCC(C)O O111526 [0,0,0,0,0,0|2,0,1]=3 11 B8R0.7 CCCCCCC(C)O O111527 [0,0,0,0,0,0|2,0,1]=3 12 B8R0.7 CCCCCCC(C)O O111528 [0,0,0,0,0,0|2,0,1]=3 13 B8R0.7 CCCCCCC(C)O R160889 [0,0,0,0,0,0|2,0,1]=3 14 B8R0.7 CCCCCCC(C)O S161171 [0,0,0,0,0,0|2,0,1]=3 15 B8R0.7 CCCCCCN(C)C N303722 [0,0,0,0,0,0|2,0,1]=3 16 B8R0.7 CCCCOCC(C)O B151801 [0,0,0,0,0,0|3,0,1]=4 17 B8R0.7 CN(C)CCOCCO D124510 [0,0,0,0,0,0|2,0,2]=4 18 B7R0.1 C#CCCCCCO H135241 [1,0,0,0,0,0|2,0,1]=4 19 B7R0.1 C(CCC#N)CCN A303171 [1,0,0,0,0,0|2,0,1]=4 20 B7R0.1 C(CCC=O)CC=O A302164 [1,0,0,0,0,0|1,0,1]=3 21 B7R0.1 C(CCCBr)CCBr D106541 [1,0,0,0,0,0|2,0,1]=4 22 B7R0.1 C(CCCBr)CCCl B111196 [1,0,0,0,0,0|2,0,1]=4 23 B7R0.1 C(CCCBr)CCF B405383 [1,0,0,0,0,0|2,0,1]=4 24 B7R0.1 C(CCCBr)CCO B138834 [1,0,0,0,0,0|1,0,2]=4 25 B7R0.1 C(CCCBr)CCO S304692 [1,0,0,0,0,0|1,0,2]=4 26 B7R0.1 C(CCCCl)CCCl D110131 [1,0,0,0,0,0|2,0,1]=4 27 B7R0.1 C(CCCCl)CCO C109454 [1,0,0,0,0,0|1,0,2]=4 28 B7R0.1 C(CCCI)CCCl C153665 [1,0,0,0,0,0|2,0,1]=4 29 B7R0.1 C(CCCI)CCI D119377 [1,0,0,0,0,0|2,0,1]=4 30 B7R0.1 C(CCCN)CCN D134228 [1,0,0,0,0,0|2,0,1]=4 31 B7R0.1 C(CCCN)CCN H103908 [1,0,0,0,0,0|2,0,1]=4 32 B7R0.1 C(CCCN)CCN H103909 [1,0,0,0,0,0|2,0,1]=4 33 B7R0.1 C(CCCN)CCN H103910 [1,0,0,0,0,0|2,0,1]=4 34 B7R0.1 C(CCCO)CCN A101232 [1,0,0,0,0,0|1,0,2]=4 35 B7R0.1 C(CCCO)CCO H103707 [1,0,0,0,0,0|1,0,2]=4 36 B7R0.1 C(CCCO)CCO H103708 [1,0,0,0,0,0|1,0,2]=4 37 B7R0.1 C(CCCS)CCN A487010 [1,0,0,0,0,0|1,1,1]=4 38 B7R0.1 C(CCCS)CCO M123042 [1,0,0,0,0,0|1,0,2]=4 39 B7R0.1 C(CCCS)CCO M299208 [1,0,0,0,0,0|1,0,2]=4 40 B7R0.1 C(CCCS)CCS H106695 [1,0,0,0,0,0|1,1,1]=4 41 B7R0.1 C(CCC[NH3+])CC[NH3+] H292837 [1,0,0,0,0,0|2,0,1]=4 42 B7R0.1 C(CCC[NH3+])CC[NH3+] H292848 [1,0,0,0,0,0|2,0,1]=4 43 B7R0.1 C(CCC[NH3+])CC[NH3+] H492699 [1,0,0,0,0,0|2,0,1]=4 44 B7R0.1 C=CCCCCC=C O159998 [1,0,0,0,0,0|1,0,2]=4 45 B7R0.1 C=CCCCCCBr B134159 [1,0,0,0,0,0|2,0,0]=3 46 B7R0.1 C=CCCCCCO H156869 [1,0,0,0,0,0|2,0,0]=3 47 B7R0.1 C=COCCCCO T161688 [1,0,0,0,0,0|3,0,0]=4 48 B7R0.1 C=COCCCCO T299067 [1,0,0,0,0,0|3,0,0]=4 49 B7R0.1 CCC=CCCC=O C154040 [1,0,0,0,0,0|0,0,2]=3 50 B7R0.1 CCCCC=CC=O T161484 [1,0,0,0,0,0|0,0,2]=3 51 B7R0.1 CCCCCC=CC C153583 [1,0,0,0,0,0|1,0,1]=3 52 B7R0.1 CCCCCC=CC O159996 [1,0,0,0,0,0|1,0,1]=3 53 B7R0.1 CCCCCC=CC T161814 [1,0,0,0,0,0|1,0,1]=3 54 B7R0.1 CCCCCCC#C O109633 [1,0,0,0,0,0|1,0,1]=3 55 B7R0.1 CCCCCCC#N H156965 [1,0,0,0,0,0|1,0,1]=3 56 B7R0.1 CCCCCCC=C O108659 [1,0,0,0,0,0|1,0,0]=2 57 B7R0.1 CCCCCCC=C O108660 [1,0,0,0,0,0|1,0,0]=2 58 B7R0.1 CCCCCCC=O H105934 [1,0,0,0,0,0|0,0,0]=1 59 B7R0.1 CCCCCCC=O H105935 [1,0,0,0,0,0|0,0,0]=1 60 B7R0.1 CCCCCCCBr B109258 [1,0,0,0,0,0|1,0,1]=3 61 B7R0.1 CCCCCCCC O100577 [1,0,0,0,0,0|1,0,1]=3 62 B7R0.1 CCCCCCCC O100578 [1,0,0,0,0,0|1,0,1]=3 63 B7R0.1 CCCCCCCC O100580 [1,0,0,0,0,0|1,0,1]=3 64 B7R0.1 CCCCCCCC O100581 [1,0,0,0,0,0|1,0,1]=3 65 B7R0.1 CCCCCCCC O119714 [1,0,0,0,0,0|1,0,1]=3 66 B7R0.1 CCCCCCCCl C153657 [1,0,0,0,0,0|1,0,1]=3 67 B7R0.1 CCCCCCCI I157581 [1,0,0,0,0,0|1,0,1]=3 68 B7R0.1 CCCCCCCN H113175 [1,0,0,0,0,0|1,0,1]=3 69 B7R0.1 CCCCCCCO H108210 [1,0,0,0,0,0|0,0,2]=3 70 B7R0.1 CCCCCCCO H108211 [1,0,0,0,0,0|0,0,2]=3 71 B7R0.1 CCCCCCCO H108212 [1,0,0,0,0,0|0,0,2]=3 72 B7R0.1 CCCCCCCS H102322 [1,0,0,0,0,0|0,1,1]=3 73 B7R0.1 CCCCCCNC N341547 [1,0,0,0,0,0|2,0,0]=3 74 B7R0.1 CCCCCCOC H157292 [1,0,0,0,0,0|2,0,0]=3 75 B7R0.1 CCCCCN=C=O P352487 [1,0,0,0,0,0|1,0,1]=3 76 B7R0.1 CCCCCOC=O A151451 [1,0,0,0,0,0|1,0,0]=2 77 B7R0.1 CCCCCON=O A151126 [1,0,0,0,0,0|2,0,0]=3 78 B7R0.1 CCCCNCCN N159361 [1,0,0,0,0,0|2,0,1]=4 79 B7R0.1 CCCCNCCO B140397 [1,0,0,0,0,0|1,0,2]=4 80 B7R0.1 CCCCNCCO B299088 [1,0,0,0,0,0|1,0,2]=4 81 B7R0.1 CCCCNCCS B469395 [1,0,0,0,0,0|1,1,1]=4 82 B7R0.1 CCCCOCC=C A151096 [1,0,0,0,0,0|2,0,0]=3 83 B7R0.1 CCCCOCCCl B152831 [1,0,0,0,0,0|2,0,1]=4 84 B7R0.1 CCCCOCCN B357161 [1,0,0,0,0,0|2,0,1]=4 85 B7R0.1 CCCCOCCO E110823 [1,0,0,0,0,0|1,0,2]=4 86 B7R0.1 CCCCOCCO E110827 [1,0,0,0,0,0|1,0,2]=4 87 B7R0.1 CCCNCCCN I168897 [1,0,0,0,0,0|2,0,1]=4 88 B7R0.1 CCCNCCOC N158962 [1,0,0,0,0,0|3,0,0]=4 89 B7R0.1 CCCSSCC=C A103096 [1,0,0,0,0,0|3,0,0]=4 90 B7R0.4 CC(=O)CCCCCl C108058 [1,0,0,0,0,0|2,0,1]=4 91 B7R0.4 CC(C)CCOC=O I117534 [1,0,0,0,0,0|1,0,0]=2 92 B7R0.4 CC(C)CCOC=O I137773 [1,0,0,0,0,0|1,0,0]=2 93 B7R0.4 CC(C)CCON=O I106092 [1,0,0,0,0,0|2,0,0]=3 94 B7R0.4 CC(C)CCON=O I106093 [1,0,0,0,0,0|2,0,0]=3 95 B7R0.4 CC(C)COCCO E156429 [1,0,0,0,0,0|1,0,1]=3 96 B7R0.4 CC(C)CSCCO I157607 [1,0,0,0,0,0|1,0,1]=3 97 B7R0.4 CC(C)NCCCO I157484 [1,0,0,0,0,0|1,0,1]=3 98 B7R0.4 CC(C)NCCOC N158963 [1,0,0,0,0,0|2,0,1]=4 99 B7R0.4 CC(C)OCCC#N I165912 [1,0,0,0,0,0|2,0,1]=4 100 B7R0.4 CC(C)OCCCN A133357 [1,0,0,0,0,0|2,0,0]=3 101 B7R0.4 CC(CCCCO)O H474422 [1,0,0,0,0,0|1,0,1]=3 102 B7R0.4 CC(CNCCN)O N159095 [1,0,0,0,0,0|3,0,0]=4 103 B7R0.4 CCCCCC(=C)C M158504 [1,0,0,0,0,0|0,0,3]=4 104 B7R0.4 CCCCCC(=O)C H103803 [1,0,0,0,0,0|1,0,2]=4 105 B7R0.4 CCCCCC(=O)C H103827 [1,0,0,0,0,0|1,0,2]=4 106 B7R0.4 CCCCCC(C)C M113649 [1,0,0,0,0,0|0,0,1]=2 107 B7R0.4 CCCCCC(C)C M406726 [1,0,0,0,0,0|0,0,1]=2 108 B7R0.4 CCCCCC(C)N A166657 [1,0,0,0,0,0|1,0,1]=3 109 B7R0.4 CCCCCC(C)N A421028 [1,0,0,0,0,0|1,0,1]=3 110 B7R0.4 CCCCCC(C)N S474322 [1,0,0,0,0,0|1,0,1]=3 111 B7R0.4 CCCCCC(C)O H100747 [1,0,0,0,0,0|1,0,1]=3 112 B7R0.4 CCCCCC(C)O I137289 [1,0,0,0,0,0|1,0,1]=3 113 B7R0.4 CCCOCC(C)O P160113 [1,0,0,0,0,0|2,0,1]=4 114 B7R0.4 CCNCCN(C)C I166658 [1,0,0,0,0,0|2,0,1]=4 115 B7R0.4 CN(C)CCCC#N D154664 [1,0,0,0,0,0|2,0,1]=4 116 B7R0.4 CN(C)CCCCN B301211 [1,0,0,0,0,0|2,0,0]=3 117 B7R0.4 CNCCCN(C)C I170434 [1,0,0,0,0,0|2,0,1]=4 118 B9R0.1 CC(C)CCOC(=O)C=C I157701 [0,1,0,0,0,0|2,0,1]=4 119 B9R0.1 CC(CCC=C(C)C)C=O M102621 [0,1,0,0,0,0|0,0,2]=3 120 B9R0.1 CCC(C)CCCC(C)C D154774 [0,1,0,0,0,0|1,0,1]=3 121 B9R0.2 CC(=O)OCCCCC=C H157305 [0,1,0,0,0,0|2,0,1]=4 122 B9R0.2 CC(C)CCCCCC=O M333901 [0,1,0,0,0,0|0,0,0]=1 123 B9R0.2 CC(C)NCCCCCO I157485 [0,1,0,0,0,0|0,0,2]=3 124 B9R0.2 CCCCCCCC(C)C M158518 [0,1,0,0,0,0|1,0,1]=3 125 B9R0.2 CCCCCCCC(C)C M406711 [0,1,0,0,0,0|1,0,1]=3 126 B9R0.2 CCCCCCCC(C)O N159697 [0,1,0,0,0,0|2,0,1]=4 127 B9R0.2 CCCCCCCC(C)O N298586 [0,1,0,0,0,0|2,0,1]=4 128 B9R0.2 CCCNCCCN(C)C D587926 [0,1,0,0,0,0|2,0,1]=4 129 B9R0.2 CN(C)CCCCCCO D133261 [0,1,0,0,0,0|1,0,2]=4 130 B9R0.38 CC(C)(C)CCCCC=O G110311 [0,1,0,0,0,0|0,0,0]=1 131 B9R0.38 CCCCCC[N+](C)(C)C H157080 [0,1,0,0,0,0|2,0,1]=4 132 B9R0.38 CCCCCC[Si](C)(C)Cl C405518 [0,1,0,0,0,0|1,1,1]=4 133 B9R0.46 CCCCCCC(C)CC M158519 [0,1,0,0,0,0|1,0,1]=3 134 B9R0.46 CCCCCCC(CC)O N159698 [0,1,0,0,0,0|2,0,1]=4 135 B9R0.46 CCCCCCC(CO)O O108069 [0,1,0,0,0,0|2,0,1]=4 136 B9R0.55 C(CCC(=O)Cl)CC(=O)Cl A109761 [0,1,0,0,0,0|2,0,1]=4 137 B9R0.55 C(CCC(=O)N)CC(=O)N A151413 [0,1,0,0,0,0|2,0,1]=4 138 B9R0.55 C(CCC(=O)O)CC(=O)O A108264 [0,1,0,0,0,0|2,0,1]=4 139 B9R0.55 C(CCC(=O)O)CC(=O)O A108265 [0,1,0,0,0,0|2,0,1]=4 140 B9R0.55 C(CCC(=O)O)CC(=O)O A108266 [0,1,0,0,0,0|2,0,1]=4 141 B9R0.55 C(CCC(=O)O)CC(=O)O A119540 [0,1,0,0,0,0|2,0,1]=4 142 B9R0.55 C(CCC(=O)O)CC(=O)O A421037 [0,1,0,0,0,0|2,0,1]=4 143 B9R0.55 C(CCC(=O)O)CC(=O)O A431648 [0,1,0,0,0,0|2,0,1]=4 144 B9R0.55 C(CCC(=O)O)CC(=O)O P160731 [0,1,0,0,0,0|2,0,1]=4 145 B9R0.55 C(CCC(=O)O)CC(=O)O P341826 [0,1,0,0,0,0|2,0,1]=4 146 B9R0.55 C(CCC(=O)O)CC(=O)O P421581 [0,1,0,0,0,0|2,0,1]=4 147 B9R0.55 C(CCC(=O)[O-])CC(=O)[O-] A299362 [0,1,0,0,0,0|2,0,1]=4 148 B9R0.55 C(CCC(=O)[O-])CC(=O)[O-] D154297 [0,1,0,0,0,0|2,0,1]=4 149 B9R0.55 CC(=O)CCCCC(=O)O O135071 [0,1,0,0,0,0|1,0,1]=3 150 B9R0.55 CC(=O)NCCCC(=O)O A169398 [0,1,0,0,0,0|2,0,1]=4 151 B9R0.55 CC(C)CCCCC(=O)O M304994 [0,1,0,0,0,0|0,0,0]=1 152 B9R0.55 CN(C)CCCCN(C)C N159138 [0,1,0,0,0,0|3,0,0]=4 153 B9R0.55 CN(C)CCCSC(=N)N D275181 [0,1,0,0,0,0|3,0,0]=4 154 B9R1.2 C1CC(CC(C1)N)C#N C587158 [0,0,0,1,0,0|2,0,1]=4 155 B9R1.2 CCC1CCCC(C1)C E156078 [0,0,0,1,0,0|1,0,1]=3 156 B9R1.2 CN1CCCC(C1)CO M158768 [0,0,0,1,0,0|1,0,2]=4 157 B9R1.6 CC(C)C1CCCCC1 I157551 [0,0,0,1,0,0|1,0,1]=3 158 B9R1.6 CC(C)C1CCNCC1 I157674 [0,0,0,1,0,0|2,0,1]=4 159 B9R1.6 CC(C1CCCCC1)N R160854 [0,0,0,1,0,0|2,0,1]=4 160 B9R1.6 CC(C1CCCCC1)N S161320 [0,0,0,1,0,0|2,0,1]=4 161 B9R1.6 CC(C1CCCCC1)O C166344 [0,0,0,1,0,0|2,0,1]=4 162 B9R1.6 CN(C)C1CCCCC1 D103895 [0,0,0,1,0,0|2,0,1]=4 163 B9R1.40 CC1(C(=O)NCCN1)C D175799 [0,0,0,1,0,0|2,0,0]=3 164 B9R1.40 CC1(CCCCC1=O)C D166342 [0,0,0,1,0,0|0,0,0]=1 165 B9R1.41 CC(=O)C1CCCC1=O A100983 [0,0,0,1,0,0|1,0,1]=3 166 B9R1.41 CC(=O)C1CCCC1=O A489643 [0,0,0,1,0,0|1,0,1]=3 167 B9R1.41 CC(=O)C1CCOC1=O A108065 [0,0,0,1,0,0|2,0,1]=4 168 B9R1.41 CC(=O)N1CCCC1=O A151305 [0,0,0,1,0,0|2,0,1]=4 169 B9R1.41 CC(C)N1CCNC1=O I168666 [0,0,0,1,0,0|2,0,0]=3 170 B9R1.48 C1CCC(=O)CC(=O)C1 W134267 [0,0,0,1,0,0|1,0,1]=3 171 B9R1.48 C1CCC(=O)OC(=O)C1 O588008 [0,0,0,1,0,0|2,0,1]=4 172 B9R1.50 C1CC=CCCC(C1)O C193374 [0,0,0,1,0,0|2,0,1]=4 173 B9R1.50 C1CC=CCCC(C1)O E487313 [0,0,0,1,0,0|2,0,1]=4 174 B9R1.50 C1CCCC(CCC1)N C153969 [0,0,0,1,0,0|2,0,1]=4 175 B9R1.50 C1CCCC(CCC1)O C153307 [0,0,0,1,0,0|2,0,1]=4 176 B9R1.83 CCCCCCC1CO1 E113793 [0,0,0,1,0,0|2,0,1]=4 177 B6R0.6 C(CC=O)CC=O G105905 [2,0,0,0,0,0|1,0,1]=4 178 B6R0.6 C(CC=O)CC=O G105906 [2,0,0,0,0,0|1,0,1]=4 179 B6R0.6 C(CC=O)CC=O G105907 [2,0,0,0,0,0|1,0,1]=4 180 B6R0.6 C(CC=O)CC=O G105908 [2,0,0,0,0,0|1,0,1]=4 181 B6R0.6 C(CC=O)CC=O G359127 [2,0,0,0,0,0|1,0,1]=4 182 B6R0.6 C(CC=O)CC=O G598815 [2,0,0,0,0,0|1,0,1]=4 183 B6R0.6 C(CC=O)CC=O G639768 [2,0,0,0,0,0|1,0,1]=4 184 B6R0.6 C(CCBr)CCBr D106538 [2,0,0,0,0,0|2,0,0]=4 185 B6R0.6 C(CCCl)CCBr B109691 [2,0,0,0,0,0|2,0,0]=4 186 B6R0.6 C(CCCl)CCCl D105687 [2,0,0,0,0,0|2,0,0]=4 187 B6R0.6 C(CCF)CCBr B303673 [2,0,0,0,0,0|2,0,0]=4 188 B6R0.6 C(CCI)CCI D155300 [2,0,0,0,0,0|2,0,0]=4 189 B6R0.6 C(CCN)CCN D111805 [2,0,0,0,0,0|2,0,0]=4 190 B6R0.6 C(CCN)CCN D121817 [2,0,0,0,0,0|2,0,0]=4 191 B6R0.6 C(CCN)CCN D283638 [2,0,0,0,0,0|2,0,0]=4 192 B6R0.6 C(CCN)CCN D421724 [2,0,0,0,0,0|2,0,0]=4 193 B6R0.6 C(CCN)CCO A107210 [2,0,0,0,0,0|1,0,1]=4 194 B6R0.6 C(CCN)CCO A565375 [2,0,0,0,0,0|1,0,1]=4 195 B6R0.6 C(CCO)CCBr B135090 [2,0,0,0,0,0|1,0,1]=4 196 B6R0.6 C(CCO)CCCl C153897 [2,0,0,0,0,0|1,0,1]=4 197 B6R0.6 C(CCO)CCO P105588 [2,0,0,0,0,0|1,0,1]=4 198 B6R0.6 C(CCS)CCS P102332 [2,0,0,0,0,0|1,1,0]=4 199 B6R0.6 C=CCCCCBr B122541 [2,0,0,0,0,0|1,0,1]=4 200 B6R0.6 C=CCCCCCl C115790 [2,0,0,0,0,0|1,0,1]=4 201 B6R0.6 C=CCCCCO H113637 [2,0,0,0,0,0|1,0,1]=4 202 B6R0.6 CCCC=CC=O H107633 [2,0,0,0,0,0|0,0,2]=4 203 B6R0.6 CCCC=CC=O T425385 [2,0,0,0,0,0|0,0,2]=4 204 B6R0.6 CCCCCC#C H100842 [2,0,0,0,0,0|0,0,2]=4 205 B6R0.6 CCCCCC#N H157040 [2,0,0,0,0,0|1,0,1]=4 206 B6R0.6 CCCCCC=C H110653 [2,0,0,0,0,0|0,0,1]=3 207 B6R0.6 CCCCCC=C H110654 [2,0,0,0,0,0|0,0,1]=3 208 B6R0.6 CCCCCC=C H110655 [2,0,0,0,0,0|0,0,1]=3 209 B6R0.6 CCCCCC=O C109199 [2,0,0,0,0,0|0,0,0]=2 210 B6R0.6 CCCCCC=O C109200 [2,0,0,0,0,0|0,0,0]=2 211 B6R0.6 CCCCCCBr B105244 [2,0,0,0,0,0|1,0,0]=3 212 B6R0.6 CCCCCCBr B471923 [2,0,0,0,0,0|1,0,0]=3 213 B6R0.6 CCCCCCC H108102 [2,0,0,0,0,0|0,0,1]=3 214 B6R0.6 CCCCCCC H108103 [2,0,0,0,0,0|0,0,1]=3 215 B6R0.6 CCCCCCC H108105 [2,0,0,0,0,0|0,0,1]=3 216 B6R0.6 CCCCCCC H108108 [2,0,0,0,0,0|0,0,1]=3 217 B6R0.6 CCCCCCC H108111 [2,0,0,0,0,0|0,0,1]=3 218 B6R0.6 CCCCCCC H108112 [2,0,0,0,0,0|0,0,1]=3 219 B6R0.6 CCCCCCC H118382 [2,0,0,0,0,0|0,0,1]=3 220 B6R0.6 CCCCCCC H119701 [2,0,0,0,0,0|0,0,1]=3 221 B6R0.6 CCCCCCCl C109280 [2,0,0,0,0,0|1,0,0]=3 222 B6R0.6 CCCCCCCl C109281 [2,0,0,0,0,0|1,0,0]=3 223 B6R0.6 CCCCCCI I157578 [2,0,0,0,0,0|1,0,0]=3 224 B6R0.6 CCCCCCN H105333 [2,0,0,0,0,0|1,0,0]=3 225 B6R0.6 CCCCCCN H157035 [2,0,0,0,0,0|1,0,0]=3 226 B6R0.6 CCCCCCN H292813 [2,0,0,0,0,0|1,0,0]=3 227 B6R0.6 CCCCCCN H491868 [2,0,0,0,0,0|1,0,0]=3 228 B6R0.6 CCCCCCO H103420 [2,0,0,0,0,0|0,0,1]=3 229 B6R0.6 CCCCCCO H103421 [2,0,0,0,0,0|0,0,1]=3 230 B6R0.6 CCCCCCO H103422 [2,0,0,0,0,0|0,0,1]=3 231 B6R0.6 CCCCCCO H103423 [2,0,0,0,0,0|0,0,1]=3 232 B6R0.6 CCCCCCO H119678 [2,0,0,0,0,0|0,0,1]=3 233 B6R0.6 CCCCCCS H100786 [2,0,0,0,0,0|0,1,0]=3 234 B6R0.6 CCCCCCS H299109 [2,0,0,0,0,0|0,1,0]=3 235 B6R0.6 CCCCCC[NH3+] H292817 [2,0,0,0,0,0|1,0,0]=3 236 B6R0.6 CCCCCC[NH3+] H492547 [2,0,0,0,0,0|1,0,0]=3 237 B6R0.6 CCCCCC[Si] H357381 [2,0,0,0,0,0|0,1,0]=3 238 B6R0.6 CCCCCNC M124210 [2,0,0,0,0,0|1,0,1]=4 239 B6R0.6 CCCCCSC A151354 [2,0,0,0,0,0|1,0,1]=4 240 B6R0.6 CCCCNCC N158928 [2,0,0,0,0,0|1,0,1]=4 241 B6R0.6 CCCCOC=C B123186 [2,0,0,0,0,0|1,0,1]=4 242 B6R0.6 CCCCOC=C B123187 [2,0,0,0,0,0|1,0,1]=4 243 B6R0.6 CCCCOC=O B109260 [2,0,0,0,0,0|1,0,0]=3 244 B6R0.6 CCCCOC=O B109261 [2,0,0,0,0,0|1,0,0]=3 245 B6R0.6 CCCCON=O B134686 [2,0,0,0,0,0|2,0,0]=4 246 B6R0.6 CCCCSCC B152507 [2,0,0,0,0,0|1,0,1]=4 247 B6R0.6 CCCNCCC D100329 [2,0,0,0,0,0|1,0,1]=4 248 B6R0.6 CCCNCCC D100330 [2,0,0,0,0,0|1,0,1]=4 249 B6R0.6 CCCNCCC D154684 [2,0,0,0,0,0|1,0,1]=4 250 B6R0.6 CCCNCCC D404364 [2,0,0,0,0,0|1,0,1]=4 251 B6R0.6 CCCNCCN N336391 [2,0,0,0,0,0|2,0,0]=4 252 B6R0.6 CCCOCCC P160596 [2,0,0,0,0,0|1,0,1]=4 253 B6R0.6 CCCOCCCl C137234 [2,0,0,0,0,0|2,0,0]=4 254 B6R0.6 CCCOCCN P160362 [2,0,0,0,0,0|2,0,0]=4 255 B6R0.6 CCCOCCO P107659 [2,0,0,0,0,0|1,0,1]=4 256 B6R0.6 CCCOCCO P299319 [2,0,0,0,0,0|1,0,1]=4 257 B6R0.6 CCCSCC=C A135608 [2,0,0,0,0,0|1,0,1]=4 258 B6R0.6 CCCSCCC D102909 [2,0,0,0,0,0|1,0,1]=4 259 B6R0.6 CCNCCCO E300231 [2,0,0,0,0,0|1,0,1]=4 260 B6R0.6 CCOCCCN E156297 [2,0,0,0,0,0|2,0,0]=4 261 B6R0.6 CCOCCCO E108059 [2,0,0,0,0,0|1,0,1]=4 262 B6R0.6 CCSCCCO E300079 [2,0,0,0,0,0|1,0,1]=4 263 B6R0.6 CNCCCCO M193351 [2,0,0,0,0,0|1,0,1]=4 264 B6R0.6 COCCCCBr B152834 [2,0,0,0,0,0|2,0,0]=4 265 B6R0.6 COCCCCO B152046 [2,0,0,0,0,0|1,0,1]=4 266 B6R0.6 CSCCCCO M468928 [2,0,0,0,0,0|1,0,1]=4 267 B6R0.4 CC(C)CCC#N I157667 [2,0,0,0,0,0|1,0,1]=4 268 B6R0.4 CC(C)CCC=O M586390 [2,0,0,0,0,0|0,0,0]=2 269 B6R0.4 CC(C)CCCBr B152440 [2,0,0,0,0,0|1,0,0]=3 270 B6R0.4 CC(C)CCCO I136441 [2,0,0,0,0,0|0,0,1]=3 271 B6R0.4 CC(C)COC=C I109049 [2,0,0,0,0,0|1,0,1]=4 272 B6R0.4 CC(C)COC=C I109050 [2,0,0,0,0,0|1,0,1]=4 273 B6R0.4 CC(C)COC=O I141415 [2,0,0,0,0,0|1,0,0]=3 274 B6R0.4 CC(C)COC=O I432878 [2,0,0,0,0,0|1,0,0]=3 275 B6R0.4 CC(C)CON=O I157486 [2,0,0,0,0,0|2,0,0]=4 276 B6R0.4 CC(C)NCC=C N339371 [2,0,0,0,0,0|1,0,1]=4 277 B6R0.4 CC(C)NCCN N159348 [2,0,0,0,0,0|2,0,0]=4 278 B6R0.4 CC(C)NCCO I157482 [2,0,0,0,0,0|1,0,1]=4 279 B6R0.4 CC(C)NCCO I431393 [2,0,0,0,0,0|1,0,1]=4 280 B6R0.4 CC(C)OCCO I106814 [2,0,0,0,0,0|1,0,1]=4 281 B6R0.4 CC(CCCBr)Br D155307 [2,0,0,0,0,0|2,0,0]=4 282 B6R0.4 CC(CCCO)O P171240 [2,0,0,0,0,0|1,0,1]=4 283 B6R0.4 CCCCC(=O)C H105743 [2,0,0,0,0,0|1,0,1]=4 284 B6R0.4 CCCCC(=O)C H105744 [2,0,0,0,0,0|1,0,1]=4 285 B6R0.4 CCCCC(=O)C H111491 [2,0,0,0,0,0|1,0,1]=4 286 B6R0.4 CCCCC(=O)C H141140 [2,0,0,0,0,0|1,0,1]=4 287 B6R0.4 CCCCC(C)C M158516 [2,0,0,0,0,0|0,0,0]=2 288 B6R0.4 CCCCC(C)Cl C153661 [2,0,0,0,0,0|1,0,0]=3 289 B6R0.4 CCCCC(C)N B301374 [2,0,0,0,0,0|1,0,0]=3 290 B6R0.4 CCCCC(C)O H105565 [2,0,0,0,0,0|1,0,0]=3 291 B6R0.4 CCCCC(C)O I170762 [2,0,0,0,0,0|1,0,0]=3 292 B6R0.4 CCCCC(C)O R588494 [2,0,0,0,0,0|1,0,0]=3 293 B6R0.4 CCCCN(C)C D108036 [2,0,0,0,0,0|1,0,0]=3 294 B6R0.4 CCCSC(C)C I157608 [2,0,0,0,0,0|1,0,0]=3 295 B6R0.4 CCOCC(C)O E110143 [2,0,0,0,0,0|2,0,0]=4 296 B6R0.4 CN(C)CCCBr B194072 [2,0,0,0,0,0|2,0,0]=4 297 B6R0.4 CN(C)CCCCl C353600 [2,0,0,0,0,0|2,0,0]=4 298 B6R0.4 CN(C)CCCCl D154697 [2,0,0,0,0,0|2,0,0]=4 299 B6R0.4 CN(C)CCCN D110909 [2,0,0,0,0,0|2,0,0]=4 300 B6R0.4 CN(C)CCCN N493682 [2,0,0,0,0,0|2,0,0]=4 301 B6R0.4 CN(C)CCCN N494190 [2,0,0,0,0,0|2,0,0]=4 302 B6R0.4 CN(C)CCCO D106344 [2,0,0,0,0,0|1,0,1]=4 303 B6R0.4 CNCCN(C)C N159374 [2,0,0,0,0,0|2,0,0]=4 304 B6R0.4 CNCCN(C)C N192745 [2,0,0,0,0,0|2,0,0]=4 305 B8R0.1 CCCC(C)COC=O M158009 [1,1,0,0,0,0|1,0,0]=3 306 B8R0.1 CCCCC(CCC)O O159906 [1,1,0,0,0,0|1,0,1]=4 307 B8R0.4 C#CCCCCCCBr B590235 [1,1,0,0,0,0|1,0,1]=4 308 B8R0.4 C#CCCCCCCN O587273 [1,1,0,0,0,0|1,0,1]=4 309 B8R0.4 C#CCCCCCCO O136501 [1,1,0,0,0,0|1,0,1]=4 310 B8R0.4 C(CCCBr)CCC#N B354089 [1,1,0,0,0,0|1,0,1]=4 311 B8R0.4 C(CCCBr)CCCBr D106496 [1,1,0,0,0,0|1,0,1]=4 312 B8R0.4 C(CCCN)CCCN D111099 [1,1,0,0,0,0|1,0,1]=4 313 B8R0.4 C(CCCN)CCCO A493194 [1,1,0,0,0,0|0,0,2]=4 314 B8R0.4 C(CCCO)CCCBr B132089 [1,1,0,0,0,0|0,0,2]=4 315 B8R0.4 C(CCCO)CCCO H136447 [1,1,0,0,0,0|0,0,2]=4 316 B8R0.4 C=CCCCCCCBr B134900 [1,1,0,0,0,0|1,0,0]=3 317 B8R0.4 C=CCCCCCCO O159908 [1,1,0,0,0,0|1,0,0]=3 318 B8R0.4 CCC=CCCOC=O H117494 [1,1,0,0,0,0|0,0,2]=4 319 B8R0.4 CCCCCC=CC=O O105936 [1,1,0,0,0,0|0,0,1]=3 320 B8R0.4 CCCCCC=CC=O O303154 [1,1,0,0,0,0|0,0,1]=3 321 B8R0.4 CCCCCC=CCO T161811 [1,1,0,0,0,0|0,0,2]=4 322 B8R0.4 CCCCCCCC#C N100831 [1,1,0,0,0,0|1,0,1]=4 323 B8R0.4 CCCCCCCC=C N109555 [1,1,0,0,0,0|1,0,0]=3 324 B8R0.4 CCCCCCCC=C N110481 [1,1,0,0,0,0|1,0,0]=3 325 B8R0.4 CCCCCCCC=O O106930 [1,1,0,0,0,0|0,0,0]=2 326 B8R0.4 CCCCCCCC=O O106931 [1,1,0,0,0,0|0,0,0]=2 327 B8R0.4 CCCCCCCC=O O345608 [1,1,0,0,0,0|0,0,0]=2 328 B8R0.4 CCCCCCCCBr B105260 [1,1,0,0,0,0|1,0,1]=4 329 B8R0.4 CCCCCCCCC N103391 [1,1,0,0,0,0|1,0,1]=4 330 B8R0.4 CCCCCCCCC N103392 [1,1,0,0,0,0|1,0,1]=4 331 B8R0.4 CCCCCCCCC N103393 [1,1,0,0,0,0|1,0,1]=4 332 B8R0.4 CCCCCCCCC N119711 [1,1,0,0,0,0|1,0,1]=4 333 B8R0.4 CCCCCCCCCl C111401 [1,1,0,0,0,0|1,0,1]=4 334 B8R0.4 CCCCCCCCCl C111402 [1,1,0,0,0,0|1,0,1]=4 335 B8R0.4 CCCCCCCCF F170468 [1,1,0,0,0,0|1,0,1]=4 336 B8R0.4 CCCCCCCCI I157580 [1,1,0,0,0,0|1,0,1]=4 337 B8R0.4 CCCCCCCCN N159007 [1,1,0,0,0,0|1,0,1]=4 338 B8R0.4 CCCCCCCCN N159690 [1,1,0,0,0,0|1,0,1]=4 339 B8R0.4 CCCCCCCCN O110545 [1,1,0,0,0,0|1,0,1]=4 340 B8R0.4 CCCCCCCCN O110546 [1,1,0,0,0,0|1,0,1]=4 341 B8R0.4 CCCCCCCCN O491873 [1,1,0,0,0,0|1,0,1]=4 342 B8R0.4 CCCCCCCCN O492190 [1,1,0,0,0,0|1,0,1]=4 343 B8R0.4 CCCCCCCCO O103324 [1,1,0,0,0,0|0,0,2]=4 344 B8R0.4 CCCCCCCCO O103325 [1,1,0,0,0,0|0,0,2]=4 345 B8R0.4 CCCCCCCCO O103326 [1,1,0,0,0,0|0,0,2]=4 346 B8R0.4 CCCCCCCCO O119018 [1,1,0,0,0,0|0,0,2]=4 347 B8R0.4 CCCCCCCCO O119679 [1,1,0,0,0,0|0,0,2]=4 348 B8R0.4 CCCCCCCCO O491594 [1,1,0,0,0,0|0,0,2]=4 349 B8R0.4 CCCCCCCCS O105587 [1,1,0,0,0,0|0,1,1]=4 350 B8R0.4 CCCCCCCC[CH2-] N332405 [1,1,0,0,0,0|1,0,1]=4 351 B8R0.4 CCCCCCCC[NH3+] N290338 [1,1,0,0,0,0|1,0,1]=4 352 B8R0.4 CCCCCCCSC H157103 [1,1,0,0,0,0|0,1,1]=4 353 B8R0.4 CCCCCCN=C=O H157416 [1,1,0,0,0,0|0,0,1]=3 354 B8R0.4 CCCCCCN=C=S H140517 [1,1,0,0,0,0|0,1,1]=4 355 B8R0.4 CCCCCCOC=O H113684 [1,1,0,0,0,0|0,0,0]=2 356 B8R0.4 CCCCCCON=O H157340 [1,1,0,0,0,0|1,0,0]=3 357 B8R0.4 CCCCNCCCC D111219 [1,1,0,0,0,0|1,0,1]=4 358 B8R0.4 CCCCNCCCC D189175 [1,1,0,0,0,0|1,0,1]=4 359 B8R0.4 CCCCNCCCC D345139 [1,1,0,0,0,0|1,0,1]=4 360 B8R0.4 CCCCNCCCC D404365 [1,1,0,0,0,0|1,0,1]=4 361 B8R0.4 CCCCNCCCC D404367 [1,1,0,0,0,0|1,0,1]=4 362 B8R0.4 CCCCNCCCC D431482 [1,1,0,0,0,0|1,0,1]=4 363 B8R0.4 CCCCNCCCC D494160 [1,1,0,0,0,0|1,0,1]=4 364 B8R0.4 CCCCOCCC#N B152448 [1,1,0,0,0,0|1,0,1]=4 365 B8R0.4 CCCCOCCCC B110451 [1,1,0,0,0,0|1,0,1]=4 366 B8R0.4 CCCCOCCCC B110452 [1,1,0,0,0,0|1,0,1]=4 367 B8R0.4 CCCCOCCCC B110453 [1,1,0,0,0,0|1,0,1]=4 368 B8R0.4 CCCCOCCCC B119693 [1,1,0,0,0,0|1,0,1]=4 369 B8R0.4 CCCCOCCCC B194104 [1,1,0,0,0,0|1,0,1]=4 370 B8R0.4 CCCCOCCCN B152034 [1,1,0,0,0,0|1,0,1]=4 371 B8R0.4 CCCCSCCCC B136661 [1,1,0,0,0,0|1,0,1]=4 372 B8R0.4 COCCCCCOC D155548 [1,1,0,0,0,0|2,0,0]=4 373 B8R0.6 CCCCCC(=O)C=C O160047 [1,1,0,0,0,0|1,0,1]=4 374 B8R0.6 CCCCCC(C#C)O O113758 [1,1,0,0,0,0|1,0,1]=4 375 B8R0.6 CCCCCC(C)CC M158522 [1,1,0,0,0,0|1,0,1]=4 376 B8R0.6 CCCCCC(C=C)O O102968 [1,1,0,0,0,0|1,0,0]=3 377 B8R0.6 CCCCCC(C=C)O S463982 [1,1,0,0,0,0|1,0,0]=3 378 B8R0.6 CCCCCC(CC)O O159907 [1,1,0,0,0,0|1,0,1]=4 379 B8R0.6 CCCCCN(C)N=O N347915 [1,1,0,0,0,0|2,0,0]=4 380 B8R0.6 COC(=O)CCCC=O M589623 [1,1,0,0,0,0|1,0,1]=4 381 B8R0.5 CCCC(=O)CC(C)C M158863 [1,1,0,0,0,0|0,0,2]=4 382 B8R0.5 CCCC(C)CC(C)C D155226 [1,1,0,0,0,0|0,0,1]=3 383 B8R0.5 CCCC(C)CC(C)C D414618 [1,1,0,0,0,0|0,0,1]=3 384 B8R0.8 CCCCC(=O)C(C)C M158862 [1,1,0,0,0,0|0,0,2]=4 385 B8R0.8 CCCCC(C)C(C)C D155224 [1,1,0,0,0,0|0,0,1]=3 386 B8R0.9 CC(C)NCC(CO)O I304271 [1,1,0,0,0,0|1,0,1]=4 387 B8R0.9 CCC(C)CCC(C)C D155227 [1,1,0,0,0,0|0,0,1]=3 388 B8R0.9 CN(C)CCN(C)C=O N159309 [1,1,0,0,0,0|2,0,0]=4 389 B8R0.21 C[Si](C)(C)CCCCO T303337 [1,1,0,0,0,0|0,1,1]=4 390 B8R0.28 CC(=CCCC(=O)C)C M117483 [1,1,0,0,0,0|0,0,2]=4 391 B8R0.28 CC(=O)CCCC(=O)O O159987 [1,1,0,0,0,0|1,0,1]=4 392 B8R0.28 CC(C)CCCC(=C)C D155274 [1,1,0,0,0,0|0,0,1]=3 393 B8R0.28 CC(C)CCCC(=O)C M158865 [1,1,0,0,0,0|0,0,0]=2 394 B8R0.28 CC(C)CCCC(=O)O M158389 [1,1,0,0,0,0|0,0,0]=2 395 B8R0.28 CC(C)CCCC(C)N D299499 [1,1,0,0,0,0|0,0,1]=3 396 B8R0.28 CC(C)CCCC(C)N D424637 [1,1,0,0,0,0|0,0,1]=3 397 B8R0.28 CC(C)CCCC(C)O M157902 [1,1,0,0,0,0|0,0,1]=3 398 B8R0.28 CC(C)CCOC(=O)C I112107 [1,1,0,0,0,0|1,0,0]=3 399 B8R0.28 CC(C)CCOC(=O)C I112108 [1,1,0,0,0,0|1,0,0]=3 400 B8R0.28 CC(C)CCOC(=O)C I112110 [1,1,0,0,0,0|1,0,0]=3 401 B8R0.28 CC(C)CCOC(=O)C T119705 [1,1,0,0,0,0|1,0,0]=3 402 B8R0.28 CC(C)CCO[N+](=O)[O-] I157464 [1,1,0,0,0,0|2,0,0]=4 403 B8R0.28 CC(C)CNCC(C)C D108052 [1,1,0,0,0,0|1,0,1]=4 404 B8R0.28 CC(C)CNCC(C)C D154696 [1,1,0,0,0,0|1,0,1]=4 405 B8R0.28 CC(C)COCC(C)C D155508 [1,1,0,0,0,0|1,0,1]=4 406 B8R0.28 CN(C)CCCC(=O)O D589906 [1,1,0,0,0,0|1,0,0]=3 407 B8R0.28 CN(C)CCCC(=O)O W133561 [1,1,0,0,0,0|1,0,0]=3 408 B10R0.3 CC(C)CCCC(C)CCBr B137574 [0,2,0,0,0,0|1,0,1]=4 409 B10R0.3 CC(C)CCCC(C)CCO T110148 [0,2,0,0,0,0|0,0,2]=4 410 B10R0.3 CC(CCC=C(C)C)CC=O C110150 [0,2,0,0,0,0|0,0,1]=3 411 B10R0.3 CC(CCC=C(C)C)CC=O C118628 [0,2,0,0,0,0|0,0,1]=3 412 B10R0.3 CC(CCC=C(C)C)CC=O C420495 [0,2,0,0,0,0|0,0,1]=3 413 B10R0.3 CC(CCC=C(C)C)CC=O C424959 [0,2,0,0,0,0|0,0,1]=3 414 B10R0.3 CC(CCC=C(C)C)CC=O C573626 [0,2,0,0,0,0|0,0,1]=3 415 B10R0.3 CC(CCC=C(C)C)CC=O S468432 [0,2,0,0,0,0|0,0,1]=3 416 B10R0.60 CC(CCCC(C)(C)O)C=C D334001 [0,2,0,0,0,0|1,0,0]=3 417 B10R0.65 CCC(C)(CCCC(C)C)O T110098 [0,2,0,0,0,0|1,0,1]=4 418 B10R0.4 CC(C)CCCCCCCO I298943 [0,2,0,0,0,0|0,0,2]=4 419 B10R0.4 CCCCCCCCC(C)C M304432 [0,2,0,0,0,0|1,0,1]=4 420 B10R0.55 CC(=O)CCCCC(=O)OC M294064 [0,2,0,0,0,0|1,0,1]=4 421 B10R0.55 CC(C)COCNC(=O)C=C N404606 [0,2,0,0,0,0|2,0,0]=4 422 B10R0.55 CN(C)CCCNC(=O)C=C N138771 [0,2,0,0,0,0|2,0,0]=4 423 B10R0.55 COC(=O)CCCCC(=O)Cl M169854 [0,2,0,0,0,0|1,0,1]=4 424 B10R0.55 COC(=O)CCCCC(=O)O M102995 [0,2,0,0,0,0|1,0,1]=4 425 B10R0.97 CC(=O)CCCCCC(=O)O O472248 [0,2,0,0,0,0|1,0,1]=4 426 B10R0.97 CC(C)CCNCCC(C)C D154175 [0,2,0,0,0,0|1,0,1]=4 427 B10R0.97 CC(C)CCOCCC(C)C I100402 [0,2,0,0,0,0|1,0,1]=4 428 B10R0.96 CC(C)CC(=O)NCC(=O)O N132010 [0,2,0,0,0,0|1,0,1]=4 429 B10R0.96 CC(C)COC(=O)CC(=O)C I107308 [0,2,0,0,0,0|1,0,1]=4 430 B10R0.1 CCOC(=O)CCCCC=O E588544 [0,2,0,0,0,0|1,0,1]=4 431 B10R0.41 CCCCCCC(OC)OC D165350 [0,2,0,0,0,0|1,0,1]=4 432 B8R1.2 C#CC1CCCCC1 C334521 [1,0,0,1,0,0|1,0,1]=4 433 B8R1.2 C1CC(CC=C1)C=O C154037 [1,0,0,1,0,0|0,0,2]=4 434 B8R1.2 C1CCC(=CC1)C=O C468613 [1,0,0,1,0,0|0,0,2]=4 435 B8R1.2 C1CCC(CC1)C#N C194969 [1,0,0,1,0,0|1,0,1]=4 436 B8R1.2 C1CCC(CC1)C=O C109681 [1,0,0,1,0,0|0,0,0]=2 437 B8R1.2 C1CCC(CC1)CBr B121199 [1,0,0,1,0,0|1,0,1]=4 438 B8R1.2 C1CCC(CC1)CN C138894 [1,0,0,1,0,0|1,0,1]=4 439 B8R1.2 C1CCC(CC1)CN C303051 [1,0,0,1,0,0|1,0,1]=4 440 B8R1.2 C1CCC(CC1)CN C493236 [1,0,0,1,0,0|1,0,1]=4 441 B8R1.2 C1CCC(CC1)CO C106975 [1,0,0,1,0,0|0,0,2]=4 442 B8R1.2 C1CCC(CC1)NN C135804 [1,0,0,1,0,0|2,0,0]=4 443 B8R1.2 C1CCC(CC1)NO I169027 [1,0,0,1,0,0|1,0,1]=4 444 B8R1.2 C1CCN(CC1)C=O F106773 [1,0,0,1,0,0|1,0,0]=3 445 B8R1.2 C1CN(CCN1)C=O F109560 [1,0,0,1,0,0|2,0,0]=4 446 B8R1.2 C1CN(CCN1)C=O F140420 [1,0,0,1,0,0|2,0,0]=4 447 B8R1.2 C1CN(CCN1)C=O F165274 [1,0,0,1,0,0|2,0,0]=4 448 B8R1.2 C1CN(CCN1)C=O F639111 [1,0,0,1,0,0|2,0,0]=4 449 B8R1.2 C1COCCC1C=O F184847 [1,0,0,1,0,0|1,0,0]=3 450 B8R1.2 C1COCCN1C=O F111002 [1,0,0,1,0,0|2,0,0]=4 451 B8R1.2 C=CC1CCCCC1 V162939 [1,0,0,1,0,0|1,0,0]=3 452 B8R1.2 CCC1CCCCC1 E108913 [1,0,0,1,0,0|1,0,1]=4 453 B8R1.2 CCC1CCCCC1 E108914 [1,0,0,1,0,0|1,0,1]=4 454 B8R1.2 CCC1CCCCN1 E156420 [1,0,0,1,0,0|1,0,1]=4 455 B8R1.2 CCC1CCCCN1 S467334 [1,0,0,1,0,0|1,0,1]=4 456 B8R1.2 CNC1CCCCC1 M124516 [1,0,0,1,0,0|2,0,0]=4 457 B8R1.2 COC1CCCCC1 M158042 [1,0,0,1,0,0|2,0,0]=4 458 B8R1.2 [C-]#[N+]C1CCCCC1 C153258 [1,0,0,1,0,0|2,0,0]=4 459 B8R1.5 C1CC(C(=O)NC1)Br B588801 [1,0,0,1,0,0|2,0,0]=4 460 B8R1.5 C1CC(C(=O)NC1)N A121540 [1,0,0,1,0,0|2,0,0]=4 461 B8R1.5 C1CC(C(=O)NC1)N A121541 [1,0,0,1,0,0|2,0,0]=4 462 B8R1.5 C1CC(C(=O)NC1)N A181382 [1,0,0,1,0,0|2,0,0]=4 463 B8R1.5 C1CC(C(=O)NC1)N I170302 [1,0,0,1,0,0|2,0,0]=4 464 B8R1.5 C1CC(C(=O)NC1)O H191839 [1,0,0,1,0,0|2,0,0]=4 465 B8R1.5 C1CCC(=O)C(=O)C1 C123365 [1,0,0,1,0,0|1,0,1]=4 466 B8R1.5 C1CCC(=O)C(C1)Br B131549 [1,0,0,1,0,0|1,0,0]=3 467 B8R1.5 C1CCC(=O)C(C1)Cl C103549 [1,0,0,1,0,0|1,0,0]=3 468 B8R1.5 C1CCC(=O)C(C1)O H133366 [1,0,0,1,0,0|1,0,0]=3 469 B8R1.5 C1COCC(C1=O)F F176973 [1,0,0,1,0,0|2,0,0]=4 470 B8R1.5 CC1C(=O)NCCN1 M168916 [1,0,0,1,0,0|2,0,0]=4 471 B8R1.5 CC1C(=O)NCCN1 R195856 [1,0,0,1,0,0|2,0,0]=4 472 B8R1.5 CC1CCCCC1=O M100791 [1,0,0,1,0,0|0,0,0]=2 473 B8R1.5 CC1CCCCC1C D155823 [1,0,0,1,0,0|1,0,1]=4 474 B8R1.5 CC1CCCCC1N M102224 [1,0,0,1,0,0|1,0,1]=4 475 B8R1.5 CC1CCCCC1O C153331 [1,0,0,1,0,0|0,0,2]=4 476 B8R1.5 CC1CCCCC1O M157932 [1,0,0,1,0,0|0,0,2]=4 477 B8R1.5 CC1CNCCC1=O M589544 [1,0,0,1,0,0|1,0,0]=3 478 B8R1.5 CN1CCCCC1=O N335945 [1,0,0,1,0,0|1,0,0]=3 479 B8R1.5 CN1CCCNC1=O M493197 [1,0,0,1,0,0|2,0,0]=4 480 B8R1.8 C1CCC(C1)CCO C154115 [1,0,0,1,0,0|0,0,2]=4 481 B8R1.8 C1CCC(C1)N=C=O C153263 [1,0,0,1,0,0|1,0,1]=4 482 B8R1.8 C=CCC1CCCC1 A332839 [1,0,0,1,0,0|1,0,0]=3 483 B8R1.11 C1CC(C(=O)C1)C#N C183485 [1,0,0,1,0,0|1,0,1]=4 484 B8R1.11 CCN1CCCC1=O E101635 [1,0,0,1,0,0|1,0,0]=3 485 B8R1.22 C1CC(=O)CCNC1 H121983 [1,0,0,1,0,0|1,0,0]=3 486 B8R1.22 C1CCC(=O)C=CC1 C138031 [1,0,0,1,0,0|0,0,2]=4 487 B8R1.22 C1CCC(=O)NCC1 C111698 [1,0,0,1,0,0|1,0,0]=3 488 B8R1.22 C1CCC(=O)NCC1 C111700 [1,0,0,1,0,0|1,0,0]=3 489 B8R1.22 C1CCC(=O)OCC1 C109521 [1,0,0,1,0,0|1,0,0]=3 490 B8R1.22 C1CCC(=O)OCC1 C398060 [1,0,0,1,0,0|1,0,0]=3 491 B8R1.22 C1CCC(=O)OCC1 P299385 [1,0,0,1,0,0|1,0,0]=3 492 B8R1.22 C1CCC(=O)OCC1 P398622 [1,0,0,1,0,0|1,0,0]=3 493 B8R1.22 C1CCC(=O)OCC1 P478241 [1,0,0,1,0,0|1,0,0]=3 494 B8R1.22 C1CCC(=O)OCC1 P485972 [1,0,0,1,0,0|1,0,0]=3 495 B8R1.22 C1CCC(=O)OCC1 P579406 [1,0,0,1,0,0|1,0,0]=3 496 B8R1.22 C1CCC(=S)NCC1 T140461 [1,0,0,1,0,0|1,1,0]=4 497 B8R1.22 C1CCCC(=O)CC1 C111127 [1,0,0,1,0,0|0,0,0]=2 498 B8R1.22 C1CCCC(CC1)Br B152451 [1,0,0,1,0,0|1,0,1]=4 499 B8R1.22 C1CCCC(CC1)Cl C153659 [1,0,0,1,0,0|1,0,1]=4 500 B8R1.22 C1CCCC(CC1)N C153902 [1,0,0,1,0,0|1,0,1]=4 501 B8R1.22 C1CCCC(CC1)O C105241 [1,0,0,1,0,0|0,0,2]=4 502 B8R1.22 C1COCCNC1=O O189427 [1,0,0,1,0,0|2,0,0]=4 503 B8R1.36 CCCCCC1CO1 E156381 [1,0,0,1,0,0|0,0,2]=4 504 B8R1.49 C1CCCC=CCC1 C100852 [1,0,0,1,0,0|1,0,0]=3 505 B8R1.49 C1CCCC=CCC1 C118535 [1,0,0,1,0,0|1,0,0]=3 506 B8R1.49 C1CCCC=CCC1 C129192 [1,0,0,1,0,0|1,0,0]=3 507 B8R1.49 C1CCCC=CCC1 C189232 [1,0,0,1,0,0|1,0,0]=3 508 B8R1.49 C1CCCC=CCC1 C294026 [1,0,0,1,0,0|1,0,0]=3 509 B8R1.49 C1CCCCCCC1 C153590 [1,0,0,1,0,0|1,0,1]=4 510 B8R1.49 C1CCCNCCC1 H157012 [1,0,0,1,0,0|1,0,1]=4 511 B8R1.1 CC1CCC(O1)CO T346390 [1,0,0,1,0,0|1,0,1]=4 512 B8R1.1 CN1CCC(C1)CN M173258 [1,0,0,1,0,0|2,0,0]=4 513 B8R1.1 CN1CCC(C1)CO R172594 [1,0,0,1,0,0|1,0,1]=4 514 B8R1.4 C1CC(=O)CC(=O)C1 C106972 [1,0,0,1,0,0|1,0,1]=4 515 B8R1.4 C1CC(CC(C1)N)N C153345 [1,0,0,1,0,0|2,0,0]=4 516 B8R1.4 C1CC(CC(C1)N)N C153347 [1,0,0,1,0,0|2,0,0]=4 517 B8R1.4 C1CC(CC(C1)O)N A401771 [1,0,0,1,0,0|1,0,1]=4 518 B8R1.4 C1CC(CC(C1)O)O C113215 [1,0,0,1,0,0|1,0,1]=4 519 B8R1.4 C1CNC(=O)CC1N A174477 [1,0,0,1,0,0|2,0,0]=4 520 B8R1.4 C1CNC(=O)CC1O H193522 [1,0,0,1,0,0|2,0,0]=4 521 B8R1.4 CC1=CC(=O)CCC1 M104499 [1,0,0,1,0,0|0,0,2]=4 522 B8R1.4 CC1CC(=O)CCO1 M172463 [1,0,0,1,0,0|1,0,0]=3 523 B8R1.4 CC1CC(CNC1)C D137845 [1,0,0,1,0,0|1,0,1]=4 524 B8R1.4 CC1CC(CNC1)C R587256 [1,0,0,1,0,0|1,0,1]=4 525 B8R1.4 CC1CCCC(=O)C1 M117710 [1,0,0,1,0,0|0,0,0]=2 526 B8R1.4 CC1CCCC(=O)C1 R472235 [1,0,0,1,0,0|0,0,0]=2 527 B8R1.4 CC1CCCC(=O)O1 D155361 [1,0,0,1,0,0|1,0,0]=3 528 B8R1.4 CC1CCCC(C1)C C153348 [1,0,0,1,0,0|0,0,1]=3 529 B8R1.4 CC1CCCC(C1)C D155810 [1,0,0,1,0,0|0,0,1]=3 530 B8R1.4 CC1CCCC(C1)N M139174 [1,0,0,1,0,0|1,0,0]=3 531 B8R1.4 CC1CCCC(C1)O M106721 [1,0,0,1,0,0|0,0,1]=3 532 B8R1.4 CC1CCCC(N1)C C153870 [1,0,0,1,0,0|1,0,1]=4 533 B8R1.4 CC1CCCC(N1)C D184826 [1,0,0,1,0,0|1,0,1]=4 534 B8R1.4 CC1COCC(=O)N1 S586561 [1,0,0,1,0,0|2,0,0]=4 535 B8R1.4 CN1CCCC(C1)N M178062 [1,0,0,1,0,0|2,0,0]=4 536 B8R1.4 CN1CCCC(C1)N R172190 [1,0,0,1,0,0|2,0,0]=4 537 B8R1.4 CN1CCCC(C1)N S590641 [1,0,0,1,0,0|2,0,0]=4 538 B8R1.7 CC(C1CCCC1)O C349965 [1,0,0,1,0,0|1,0,1]=4 539 B8R1.19 CC1(CCCC1=O)C D131503 [1,0,0,1,0,0|0,0,0]=2 540 B8R1.19 CC1(CCOC1=O)C A151224 [1,0,0,1,0,0|1,0,0]=3 541 B8R1.19 CC1(CONC1=O)C D400297 [1,0,0,1,0,0|2,0,0]=4 542 B8R1.35 CC(C)OCC1CO1 G156843 [1,0,0,1,0,0|1,0,1]=4 543 B8R1.72 CC1(CCCCC1)O M102063 [1,0,0,1,0,0|1,0,1]=4 544 B8R1.72 CC1(CCNCC1)C D193130 [1,0,0,1,0,0|1,0,1]=4 545 B8R1.72 CC1(CCNCC1)C D479046 [1,0,0,1,0,0|1,0,1]=4 546 B8R1.72 C[N+]1(CCCCC1)C M114650 [1,0,0,1,0,0|1,0,1]=4 547 B8R1.72 C[N+]1(CCCCC1)C M118597 [1,0,0,1,0,0|1,0,1]=4 548 B10R1.13 CC(C)C1CCC(=C)C=C1 P337471 [0,1,0,1,0,0|1,0,1]=4 549 B10R1.13 CC(C)C1CCC(CC1)N I157724 [0,1,0,1,0,0|1,0,1]=4 550 B10R1.13 CC(C)C1CCC(CC1)O I157466 [0,1,0,1,0,0|1,0,1]=4 551 B10R1.13 CC(C)C1CCC(CC1)O T162736 [0,1,0,1,0,0|1,0,1]=4 552 B10R1.54 C1C(CNC1CC(=O)O)O L344985 [0,1,0,1,0,0|2,0,0]=4 553 B10R1.54 CC(C)CC1CC(=O)NC1 I589652 [0,1,0,1,0,0|1,0,0]=3 554 B10R1.54 CC(C)CC1CC(=O)NC1 S587757 [0,1,0,1,0,0|1,0,0]=3 555 B10R1.18 CC(C)CC1CCCCC1 I157550 [0,1,0,1,0,0|1,0,1]=4 556 B10R1.18 CC(C)NC1CCCCC1 N159075 [0,1,0,1,0,0|1,0,1]=4 557 B10R1.61 CC(=O)C1CCCCC1=O A151668 [0,1,0,1,0,0|1,0,1]=4 558 B10R1.28 CC(C)(C)C1CCCCC1 I135611 [0,1,0,1,0,0|1,0,1]=4 559 B10R1.28 CC(C)(C1CCCNC1)O P169046 [0,1,0,1,0,0|2,0,0]=4 560 B10R1.65 C[Si](C)(C)N1CCCC1=O N587264 [0,1,0,1,0,0|1,1,0]=4 561 B10R1.1 CC1CCC(CC1)N=C=O M140073 [0,1,0,1,0,0|1,0,1]=4 562 B10R1.149 COC(=O)C1CCCC1=O M137965 [0,1,0,1,0,0|1,0,1]=4 563 B10R1.172 C1CC(CC(C1)CN)CN B153044 [0,1,0,1,0,0|1,0,1]=4 564 B10R1.172 C1CC(CC(C1)CN)CN C153339 [0,1,0,1,0,0|1,0,1]=4 565 B10R1.113 C1CC(CC(=O)C1)C(=O)O O191300 [0,1,0,1,0,0|1,0,1]=4 566 B10R1.113 C1CC(CC(C1)N)C(=O)O A133090 [0,1,0,1,0,0|1,0,0]=3 567 B10R1.113 C1CC(CC(C1)N)C(=O)O C153901 [0,1,0,1,0,0|1,0,0]=3 568 B10R1.113 C1CC(CC(C1)O)C(=O)O H157380 [0,1,0,1,0,0|1,0,0]=3 569 B10R1.113 CC1CCCC(C1)C(=O)O M299842 [0,1,0,1,0,0|0,0,0]=2 570 B10R1.113 CC1CCCC(C1)C(=O)O M472837 [0,1,0,1,0,0|0,0,0]=2 571 B10R1.113 CC1CCCN(C1)C(=O)C A474323 [0,1,0,1,0,0|1,0,0]=3 572 B10R1.113 CC1CCNC(C1)C(=O)O R194886 [0,1,0,1,0,0|1,0,0]=3 573 B10R1.114 CC1(C(CCCC1=O)O)C S161361 [0,1,0,1,0,0|0,0,0]=2 574 B10R1.63 CC1(CCC(=O)CC1=O)C D154370 [0,1,0,1,0,0|0,0,1]=3 575 B10R1.63 CC1(CCC(=O)OC1=O)C D154430 [0,1,0,1,0,0|1,0,1]=4 576 B10R1.128 CC1(CCCC1C(=O)O)N C348320 [0,1,0,1,0,0|1,0,0]=3 577 B10R1.128 C[N+]1(CCCC1C(=O)[O-])C S413066 [0,1,0,1,0,0|1,0,0]=3 578 B10R1.128 C[N+]1(CCCC1C(=O)[O-])C S424110 [0,1,0,1,0,0|1,0,0]=3 579 B10R2.71 C1CC2CC(=O)CC1N2 N119961 [0,0,0,2,0,0|1,0,0]=3 580 B10R2.99 C1C2CC(C1C=C2)C=O B111451 [0,0,0,2,0,0|0,0,2]=4 581 B10R2.99 C1C2CC(C1C=C2)C=O B267993 [0,0,0,2,0,0|0,0,2]=4 582 B10R2.99 C1CC2CC1CC2CO N135171 [0,0,0,2,0,0|0,0,2]=4 583 B10R2.109 C=CC1CCC2C(C1)O2 V102412 [0,0,0,2,0,0|2,0,0]=4