0 B8R0.4 BrCCCCCCCBr 235871 [0,0,0,0,0,0|2,0,1]=3 1 B8R0.4 C#CCCCCCCCl 099431 [0,0,0,0,0,0|1,0,2]=3 2 B8R0.4 C=CCCCCCCBr 043893 [0,0,0,0,0,0|1,0,0]=1 3 B8R0.4 C=CCCCCCCI 505959 [0,0,0,0,0,0|1,0,0]=1 4 B8R0.4 C=CCCCCCNC 104411 [0,0,0,0,0,0|1,0,0]=1 5 B8R0.4 C=CCCC\C=C\CO 161900 [0,0,0,0,0,0|1,0,2]=3 6 B8R0.4 CCCCC#CCCO 162900 [0,0,0,0,0,0|1,0,3]=4 7 B8R0.4 CCCCCC#CCBr 009063 [0,0,0,0,0,0|1,0,3]=4 8 B8R0.4 CCCCCCCC#N 098851 [0,0,0,0,0,0|1,0,1]=2 9 B8R0.4 CCCCCCCC=O 349298 [0,0,0,0,0,0|1,0,0]=1 10 B8R0.4 CCCCCCCCBr 021865 [0,0,0,0,0,0|1,0,1]=2 11 B8R0.4 CCCCCCCCCl 520471 [0,0,0,0,0,0|1,0,1]=2 12 B8R0.4 CCCCCCCCI 104506 [0,0,0,0,0,0|1,0,1]=2 13 B8R0.4 CCCCCCCCN 099074 [0,0,0,0,0,0|1,0,1]=2 14 B8R0.4 CCCCCCCCO 098917 [0,0,0,0,0,0|1,0,1]=2 15 B8R0.4 CCCCCCCCS 099014 [0,0,0,0,0,0|1,0,1]=2 16 B8R0.4 CCCCCCCNC 104338 [0,0,0,0,0,0|1,0,1]=2 17 B8R0.4 CCCCCCN=C=S 008979 [0,0,0,0,0,0|2,0,1]=3 18 B8R0.4 CCCCCCOC=O 102668 [0,0,0,0,0,0|2,0,0]=2 19 B8R0.4 CCCCCCSC#N 023925 [0,0,0,0,0,0|2,0,1]=3 20 B8R0.4 CCCCCNCCC 104994 [0,0,0,0,0,0|1,0,2]=3 21 B8R0.4 CCCCC\C=C\C=O 103998 [0,0,0,0,0,0|1,0,2]=3 22 B8R0.4 CCCCNCCC#N 018332 [0,0,0,0,0,0|2,0,1]=3 23 B8R0.4 CCCCNCCCC 095822 [0,0,0,0,0,0|1,0,2]=3 24 B8R0.4 CCCCNCCCN 104976 [0,0,0,0,0,0|2,0,1]=3 25 B8R0.4 CCCCOCCCN 386779 [0,0,0,0,0,0|2,0,1]=3 26 B8R0.4 CCCCSCCCC 098351 [0,0,0,0,0,0|1,0,2]=3 27 B8R0.4 CCCC\C=C/CCO 106319 [0,0,0,0,0,0|1,0,3]=4 28 B8R0.4 CCOCCCN=C=O 043787 [0,0,0,0,0,0|3,0,1]=4 29 B8R0.4 CCOCCCN=C=S 025959 [0,0,0,0,0,0|3,0,1]=4 30 B8R0.4 CCOCCNCCN 105133 [0,0,0,0,0,0|3,0,1]=4 31 B8R0.4 CNCCCCCCO 062955 [0,0,0,0,0,0|2,0,1]=3 32 B8R0.4 COCCNCCOC 099116 [0,0,0,0,0,0|3,0,1]=4 33 B8R0.4 COCCOCCOC 075235 [0,0,0,0,0,0|3,0,1]=4 34 B8R0.4 N#CCCCCCC#N 222552 [0,0,0,0,0,0|2,0,2]=4 35 B8R0.4 NCCCCCCCN 321947 [0,0,0,0,0,0|2,0,1]=3 36 B8R0.4 NCCCNCCCN 358058 [0,0,0,0,0,0|3,0,1]=4 37 B7R0.1 BrCCCCCCBr BR1156 [1,0,0,0,0,0|2,0,0]=3 38 B7R0.1 C#CCCCCCC 162800 [1,0,0,0,0,0|0,0,2]=3 39 B7R0.1 C#CCCCCCO 077361 [1,0,0,0,0,0|1,0,2]=4 40 B7R0.1 C=CCCCCC=C 099644 [1,0,0,0,0,0|0,0,2]=3 41 B7R0.1 C=CCCCCCBr 043892 [1,0,0,0,0,0|1,0,0]=2 42 B7R0.1 C=CCCCCCC 200048 [1,0,0,0,0,0|0,0,0]=1 43 B7R0.1 C=CCCCCCI 103485 [1,0,0,0,0,0|1,0,0]=2 44 B7R0.1 C=CCCCCNC 036092 [1,0,0,0,0,0|1,0,0]=2 45 B7R0.1 CC#CCCCCC 162802 [1,0,0,0,0,0|0,0,3]=4 46 B7R0.1 CCCC#CCCO 144510 [1,0,0,0,0,0|1,0,2]=4 47 B7R0.1 CCCCC#CCO 144505 [1,0,0,0,0,0|1,0,2]=4 48 B7R0.1 CCCCCCC#N 001020 [1,0,0,0,0,0|1,0,1]=3 49 B7R0.1 CCCCCCC=O 520883 [1,0,0,0,0,0|1,0,0]=2 50 B7R0.1 CCCCCCCBr BR1073 [1,0,0,0,0,0|1,0,0]=2 51 B7R0.1 CCCCCCCC 162200 [1,0,0,0,0,0|0,0,1]=2 52 B7R0.1 CCCCCCCCl 106679 [1,0,0,0,0,0|1,0,0]=2 53 B7R0.1 CCCCCCCF 003481 [1,0,0,0,0,0|1,0,0]=2 54 B7R0.1 CCCCCCCI 243077 [1,0,0,0,0,0|1,0,0]=2 55 B7R0.1 CCCCCCCN 099080 [1,0,0,0,0,0|1,0,0]=2 56 B7R0.1 CCCCCCCO 101569 [1,0,0,0,0,0|1,0,0]=2 57 B7R0.1 CCCCCCNC 402340 [1,0,0,0,0,0|1,0,1]=3 58 B7R0.1 CCCCCN=C=S 009557 [1,0,0,0,0,0|2,0,1]=4 59 B7R0.1 CCCCNCC#N 099121 [1,0,0,0,0,0|2,0,1]=4 60 B7R0.1 CCCCNCCC 099392 [1,0,0,0,0,0|1,0,1]=3 61 B7R0.1 CCCCNCCN 456370 [1,0,0,0,0,0|2,0,0]=3 62 B7R0.1 CCCCNCCO 115900 [1,0,0,0,0,0|2,0,0]=3 63 B7R0.1 CCCCOCCO 349293 [1,0,0,0,0,0|2,0,0]=3 64 B7R0.1 CCCC\C=C\C=O 240980 [1,0,0,0,0,0|1,0,2]=4 65 B7R0.1 CCCNCCC#N 018983 [1,0,0,0,0,0|2,0,1]=4 66 B7R0.1 CCCNCCCN 240393 [1,0,0,0,0,0|2,0,0]=3 67 B7R0.1 CCOCCOCC 098939 [1,0,0,0,0,0|2,0,1]=4 68 B7R0.1 COCCOCCBr 241934 [1,0,0,0,0,0|3,0,0]=4 69 B7R0.1 COCCOCCO 208688 [1,0,0,0,0,0|3,0,0]=4 70 B7R0.1 ClCCCCCCBr 093960 [1,0,0,0,0,0|2,0,0]=3 71 B7R0.1 ClCCCCCCCl 242573 [1,0,0,0,0,0|2,0,0]=3 72 B7R0.1 ClCCCCCCI 098037 [1,0,0,0,0,0|2,0,0]=3 73 B7R0.1 ICCCCCCI 349296 [1,0,0,0,0,0|2,0,0]=3 74 B7R0.1 N#CCCCCCBr 001033 [1,0,0,0,0,0|2,0,1]=4 75 B7R0.1 NCCCCCCN 098831 [1,0,0,0,0,0|2,0,0]=3 76 B7R0.1 NCCCCCCO 208673 [1,0,0,0,0,0|2,0,0]=3 77 B7R0.1 NCCCNCCO 048142 [1,0,0,0,0,0|3,0,0]=4 78 B7R0.1 NCCCNCCO 106472 [1,0,0,0,0,0|3,0,0]=4 79 B7R0.1 OCCCCCCCl 001744 [1,0,0,0,0,0|2,0,0]=3 80 B7R0.1 OCCCCCCO 242635 [1,0,0,0,0,0|2,0,0]=3 81 B7R0.1 SCCCCCCS 102616 [1,0,0,0,0,0|2,0,0]=3 82 B9R0.2 CC(=O)OCCCCCBr 464202 [0,1,0,0,0,0|2,0,1]=4 83 B9R0.2 CCCCCCCC(=O)Cl 099180 [0,1,0,0,0,0|1,0,0]=2 84 B9R0.2 CCCCCCCC(=O)O 094565 [0,1,0,0,0,0|1,0,0]=2 85 B9R0.2 CCCCCCCC(C)=O 349299 [0,1,0,0,0,0|0,0,1]=2 86 B9R0.2 CCCCCCCC(C)O 321952 [0,1,0,0,0,0|0,0,2]=3 87 B9R0.2 CCCCCCOC(C)=O 102343 [0,1,0,0,0,0|1,0,1]=3 88 B9R0.2 NCCCCCCC(=O)O 078953 [0,1,0,0,0,0|2,0,0]=3 89 B9R0.2 O=C(O)CCCCCCBr 236587 [0,1,0,0,0,0|2,0,0]=3 90 B9R0.5 C=CCCCC(=O)OCC 200032 [0,1,0,0,0,0|1,0,1]=3 91 B9R0.5 CCCCCC(C)N=C=S 008976 [0,1,0,0,0,0|2,0,1]=4 92 B9R0.18 CCCCC(=O)CCCC 099000 [0,1,0,0,0,0|0,0,3]=4 93 B9R0.18 CCCCC(O)CCCC 180155 [0,1,0,0,0,0|0,0,2]=3 94 B9R0.18 CCCCS(=O)CCCC 002969 [0,1,0,0,0,0|1,0,2]=4 95 B9R0.18 CCCC[Sn](=O)CCCC 094481 [0,1,0,0,0,0|1,0,2]=4 96 B9R0.45 BrCCCCCCCCBr 212569 [0,1,0,0,0,0|1,0,1]=3 97 B9R0.45 C#CCCCCCCC#C 124010 [0,1,0,0,0,0|0,0,3]=4 98 B9R0.45 C#CCCCCCCCC 124500 [0,1,0,0,0,0|0,0,2]=3 99 B9R0.45 C#CCCCCCCCO 243040 [0,1,0,0,0,0|0,0,2]=3 100 B9R0.45 C=CCCCCCCC=C 464584 [0,1,0,0,0,0|0,0,1]=2 101 B9R0.45 C=CCCCCCCCBr 080314 [0,1,0,0,0,0|0,0,0]=1 102 B9R0.45 C=CCCCCCCCC 200050 [0,1,0,0,0,0|0,0,0]=1 103 B9R0.45 C=CCCCCCCNC 104201 [0,1,0,0,0,0|0,0,0]=1 104 B9R0.45 CCCCC#CCCCC 124505 [0,1,0,0,0,0|0,0,3]=4 105 B9R0.45 CCCCCCCCC=O 018925 [0,1,0,0,0,0|0,0,1]=2 106 B9R0.45 CCCCCCCCCBr 001132 [0,1,0,0,0,0|0,0,2]=3 107 B9R0.45 CCCCCCCCCC 520891 [0,1,0,0,0,0|0,0,2]=3 108 B9R0.45 CCCCCCCCCI 149300 [0,1,0,0,0,0|0,0,2]=3 109 B9R0.45 CCCCCCCCCN 018926 [0,1,0,0,0,0|0,0,2]=3 110 B9R0.45 CCCCCCCCCO 101572 [0,1,0,0,0,0|0,0,2]=3 111 B9R0.45 CCCCCCCCNC 046353 [0,1,0,0,0,0|0,0,2]=3 112 B9R0.45 CCCCCCCN=C=O 050930 [0,1,0,0,0,0|1,0,1]=3 113 B9R0.45 CCCCCCCN=C=S 008975 [0,1,0,0,0,0|1,0,1]=3 114 B9R0.45 CCCCCCNCCN 457429 [0,1,0,0,0,0|1,0,1]=3 115 B9R0.45 CCCCCC\C=C\C=O 106390 [0,1,0,0,0,0|0,0,1]=2 116 B9R0.45 CCCCCNCCC#N 018937 [0,1,0,0,0,0|1,0,1]=3 117 B9R0.45 CCCCCNCCCC 105047 [0,1,0,0,0,0|0,0,2]=3 118 B9R0.45 CCCCCNCCCN 104978 [0,1,0,0,0,0|1,0,1]=3 119 B9R0.45 CCCC\C=C\C=C\C=O 106729 [0,1,0,0,0,0|0,0,3]=4 120 B9R0.45 CC\C=C/CCCCC=O 106733 [0,1,0,0,0,0|1,0,1]=3 121 B9R0.45 ClCCCCCCCCCl 099031 [0,1,0,0,0,0|1,0,1]=3 122 B9R0.45 ICCCCCCCCI 104507 [0,1,0,0,0,0|1,0,1]=3 123 B9R0.45 NCCCCCCCCN 462631 [0,1,0,0,0,0|1,0,1]=3 124 B9R0.45 OCCCCCCCCBr 037015 [0,1,0,0,0,0|1,0,1]=3 125 B9R0.45 OCCCCCCCCO 078005 [0,1,0,0,0,0|1,0,1]=3 126 B9R0.46 CCCCCCC(=O)NN 045793 [0,1,0,0,0,0|2,0,1]=4 127 B9R0.46 CCCCCCC(O)CO 339957 [0,1,0,0,0,0|1,0,1]=3 128 B9R1.5 NC1CCCCNC1=O 011374 [0,0,0,1,0,0|3,0,0]=4 129 B9R1.5 N[C@@H]1CCCCNC1=O 034333 [0,0,0,1,0,0|3,0,0]=4 130 B9R1.5 N[C@H]1CCCCNC1=O 011373 [0,0,0,1,0,0|3,0,0]=4 131 B9R1.8 BrCCC1CCCCC1 220157 [0,0,0,1,0,0|1,0,1]=3 132 B9R1.8 C#CCC1CCCCC1 009112 [0,0,0,1,0,0|0,0,2]=3 133 B9R1.8 C=CCN1CCNCC1 008909 [0,0,0,1,0,0|2,0,0]=3 134 B9R1.8 CCNC1CCCCC1 078851 [0,0,0,1,0,0|1,0,2]=4 135 B9R1.8 CNCC1CCCCC1 359898 [0,0,0,1,0,0|1,0,1]=3 136 B9R1.8 ClCCN1CCCCC1 079109 [0,0,0,1,0,0|2,0,1]=4 137 B9R1.8 ICCC1CCCCC1 101668 [0,0,0,1,0,0|1,0,1]=3 138 B9R1.8 N#CCN1CCCCC1 009680 [0,0,0,1,0,0|2,0,1]=4 139 B9R1.8 NCCC1=CCCCC1 233674 [0,0,0,1,0,0|1,0,2]=4 140 B9R1.8 NCCN1CCCCC1 222040 [0,0,0,1,0,0|2,0,1]=4 141 B9R1.8 O=C=NC1CCCCC1 123400 [0,0,0,1,0,0|2,0,1]=4 142 B9R1.8 O=CCC1CCOCC1 208751 [0,0,0,1,0,0|2,0,0]=3 143 B9R1.8 O=CNC1CCCCC1 099604 [0,0,0,1,0,0|2,0,0]=3 144 B9R1.8 OCCC1CCCCC1 225442 [0,0,0,1,0,0|1,0,1]=3 145 B9R1.8 OCCC1CCCCN1 049886 [0,0,0,1,0,0|2,0,1]=4 146 B9R1.8 OCCC1CCCCO1 309652 [0,0,0,1,0,0|2,0,1]=4 147 B9R1.8 OCCC1CCNCC1 005101 [0,0,0,1,0,0|2,0,1]=4 148 B9R1.8 OCCC1CCOCC1 067744 [0,0,0,1,0,0|2,0,1]=4 149 B9R1.8 OCCN1CCCCC1 237773 [0,0,0,1,0,0|2,0,1]=4 150 B9R1.8 S=C=NC1CCCCC1 008784 [0,0,0,1,0,0|2,0,1]=4 151 B9R1.12 CCCCN1C=CN=C1 078630 [0,0,0,1,0,0|2,0,1]=4 152 B9R1.12 CCOCC1CCCO1 047544 [0,0,0,1,0,0|2,0,1]=4 153 B9R1.12 N#CCCN1CCCC1 018988 [0,0,0,1,0,0|2,0,1]=4 154 B9R1.12 NCCCN1CCCC1 049793 [0,0,0,1,0,0|2,0,1]=4 155 B9R1.12 NCCCN1CCCC1 079499 [0,0,0,1,0,0|2,0,1]=4 156 B9R1.12 OCCCN1CCCC1 223048 [0,0,0,1,0,0|2,0,1]=4 157 B9R1.14 CCN1CCCC1CN 035937 [0,0,0,1,0,0|2,0,1]=4 158 B9R1.14 CCN1CCC[C@H]1CN 208756 [0,0,0,1,0,0|2,0,1]=4 159 B9R1.14 O=CN1CCC[C@H]1CO 103549 [0,0,0,1,0,0|3,0,0]=4 160 B9R1.15 CN1CCCCC1CN 032202 [0,0,0,1,0,0|2,0,1]=4 161 B9R1.15 CN1CCCCC1CO 077838 [0,0,0,1,0,0|2,0,1]=4 162 B9R1.15 N#CC1CCCCC1=O 023580 [0,0,0,1,0,0|2,0,1]=4 163 B9R1.33 CN1CCCC1CCN 040058 [0,0,0,1,0,0|2,0,1]=4 164 B9R1.33 CN1CCCC1CCO 068968 [0,0,0,1,0,0|2,0,1]=4 165 B9R1.33 NCCN1CCCC1=O 037271 [0,0,0,1,0,0|3,0,0]=4 166 B9R1.33 O=C1CCCN1CCO 068970 [0,0,0,1,0,0|3,0,0]=4 167 B9R1.50 NC1CCCCCCC1 450396 [0,0,0,1,0,0|1,0,1]=3 168 B9R1.50 O=C1CCCCCCC1 237170 [0,0,0,1,0,0|1,0,0]=2 169 B9R1.89 O=CN1CCCNCC1 307336 [0,0,0,1,0,0|3,0,0]=4 170 B9R1.103 C1CCCCNCCC1 230409 [0,0,0,1,0,0|1,0,1]=3 171 B6R0.6 BrCCCCCBr 001044 [2,0,0,0,0,0|2,0,0]=4 172 B6R0.6 C#CCCCCC 144400 [2,0,0,0,0,0|0,0,2]=4 173 B6R0.6 C=CCCCCBr 002415 [2,0,0,0,0,0|1,0,0]=3 174 B6R0.6 C=CCCCCBr 013446 [2,0,0,0,0,0|1,0,0]=3 175 B6R0.6 C=CCCCCCl 024635 [2,0,0,0,0,0|1,0,0]=3 176 B6R0.6 C=CCCCCI 103321 [2,0,0,0,0,0|1,0,0]=3 177 B6R0.6 C=CCCCCO 078461 [2,0,0,0,0,0|1,0,0]=3 178 B6R0.6 C=CCOCCO 099544 [2,0,0,0,0,0|2,0,0]=4 179 B6R0.6 C=COCCCC 106580 [2,0,0,0,0,0|1,0,0]=3 180 B6R0.6 CCCCCC#N 002444 [2,0,0,0,0,0|1,0,1]=4 181 B6R0.6 CCCCCC=O 094968 [2,0,0,0,0,0|1,0,0]=3 182 B6R0.6 CCCCCCBr 098897 [2,0,0,0,0,0|1,0,0]=3 183 B6R0.6 CCCCCCC 044743 [2,0,0,0,0,0|0,0,0]=2 184 B6R0.6 CCCCCCC 099896 [2,0,0,0,0,0|0,0,0]=2 185 B6R0.6 CCCCCCC 107019 [2,0,0,0,0,0|0,0,0]=2 186 B6R0.6 CCCCCCC 995188 [2,0,0,0,0,0|0,0,0]=2 187 B6R0.6 CCCCCCN 094631 [2,0,0,0,0,0|1,0,0]=3 188 B6R0.6 CCCCCCO 349294 [2,0,0,0,0,0|1,0,0]=3 189 B6R0.6 CCCCCCS 145400 [2,0,0,0,0,0|1,0,0]=3 190 B6R0.6 CCCCCNC 056875 [2,0,0,0,0,0|1,0,0]=3 191 B6R0.6 CCCCNC=O 103559 [2,0,0,0,0,0|2,0,0]=4 192 B6R0.6 CCCCNCC 097790 [2,0,0,0,0,0|1,0,0]=3 193 B6R0.6 CCCNCCC 102049 [2,0,0,0,0,0|1,0,0]=3 194 B6R0.6 CCCNCCN 050965 [2,0,0,0,0,0|2,0,0]=4 195 B6R0.6 CCCNCCO 069279 [2,0,0,0,0,0|2,0,0]=4 196 B6R0.6 CCCOCCN 038577 [2,0,0,0,0,0|2,0,0]=4 197 B6R0.6 CCNCCCN 544204 [2,0,0,0,0,0|2,0,0]=4 198 B6R0.6 CCNCCCO 387141 [2,0,0,0,0,0|2,0,0]=4 199 B6R0.6 CCNCCNC 024572 [2,0,0,0,0,0|2,0,0]=4 200 B6R0.6 CCOCCCN 097753 [2,0,0,0,0,0|2,0,0]=4 201 B6R0.6 CCOCOCC 094651 [2,0,0,0,0,0|2,0,0]=4 202 B6R0.6 CNCCCCO 239842 [2,0,0,0,0,0|2,0,0]=4 203 B6R0.6 CNCCCNC 236622 [2,0,0,0,0,0|2,0,0]=4 204 B6R0.6 CNCCCOC 309894 [2,0,0,0,0,0|2,0,0]=4 205 B6R0.6 COCCCCBr 079657 [2,0,0,0,0,0|2,0,0]=4 206 B6R0.6 COCCCCO 236682 [2,0,0,0,0,0|2,0,0]=4 207 B6R0.6 CSCCCCO 035889 [2,0,0,0,0,0|2,0,0]=4 208 B6R0.6 ClCCCCCBr 002448 [2,0,0,0,0,0|2,0,0]=4 209 B6R0.6 ClCCCCCCl 101915 [2,0,0,0,0,0|2,0,0]=4 210 B6R0.6 ClCCCCCI 098274 [2,0,0,0,0,0|2,0,0]=4 211 B6R0.6 FCCCCCBr 218989 [2,0,0,0,0,0|2,0,0]=4 212 B6R0.6 ICCCCCI 239847 [2,0,0,0,0,0|2,0,0]=4 213 B6R0.6 NCCCCCN 208616 [2,0,0,0,0,0|2,0,0]=4 214 B6R0.6 NCCCCCO 463575 [2,0,0,0,0,0|2,0,0]=4 215 B6R0.6 O=CCCCCCl 238851 [2,0,0,0,0,0|2,0,0]=4 216 B6R0.6 OCCCCCBr 079429 [2,0,0,0,0,0|2,0,0]=4 217 B6R0.6 OCCCCCCl 008844 [2,0,0,0,0,0|2,0,0]=4 218 B6R0.6 OCCCCCO 240419 [2,0,0,0,0,0|2,0,0]=4 219 B8R0.6 C=CC(=O)OCCCC 099438 [1,1,0,0,0,0|1,0,1]=4 220 B8R0.6 C=CC(O)CCCCC 162500 [1,1,0,0,0,0|0,0,0]=2 221 B8R0.6 C=CCCCC(=O)OC 103881 [1,1,0,0,0,0|1,0,1]=4 222 B8R0.6 C=CCOCC(O)CO 099795 [1,1,0,0,0,0|2,0,0]=4 223 B8R0.6 OCCCCC(O)CO 099054 [1,1,0,0,0,0|2,0,0]=4 224 B8R0.7 C=CCCCCC(=O)O 200743 [1,1,0,0,0,0|1,0,1]=4 225 B8R0.7 C=CCCCOC(C)=O 098929 [1,1,0,0,0,0|1,0,1]=4 226 B8R0.7 CCCCCCB(O)O 466928 [1,1,0,0,0,0|2,0,0]=4 227 B8R0.7 CCCCCCC(=O)Cl 102978 [1,1,0,0,0,0|1,0,0]=3 228 B8R0.7 CCCCCCC(=O)O 066627 [1,1,0,0,0,0|1,0,0]=3 229 B8R0.7 CCCCCCC(C)=O 242815 [1,1,0,0,0,0|0,0,1]=3 230 B8R0.7 CCCCCCC(C)N 242674 [1,1,0,0,0,0|0,0,1]=3 231 B8R0.7 CCCCCCN(C)C 046920 [1,1,0,0,0,0|1,0,1]=4 232 B8R0.7 CCCCCOC(=O)Cl 544334 [1,1,0,0,0,0|2,0,0]=4 233 B8R0.7 CCCCSCC(=O)O 351418 [1,1,0,0,0,0|2,0,0]=4 234 B8R0.7 NC(=O)CCCCCBr 002966 [1,1,0,0,0,0|2,0,0]=4 235 B8R0.7 NCCCCCC(=O)O 103200 [1,1,0,0,0,0|2,0,0]=4 236 B8R0.7 O=C(Cl)CCCCCBr 003076 [1,1,0,0,0,0|2,0,0]=4 237 B8R0.7 O=C(O)CCCCCBr 002967 [1,1,0,0,0,0|2,0,0]=4 238 B10R0.4 CC(C)CCCCCCCO 242242 [0,2,0,0,0,0|0,0,2]=4 239 B10R0.4 CCCCCCCCC(=O)Cl 099081 [0,2,0,0,0,0|0,0,1]=3 240 B10R0.4 CCCCCCCCC(=O)O 161400 [0,2,0,0,0,0|0,0,1]=3 241 B10R0.4 CCCCCCCCC(N)=O 099214 [0,2,0,0,0,0|0,0,1]=3 242 B10R0.4 CCCCCCCCN(C)C 098964 [0,2,0,0,0,0|0,0,2]=4 243 B10R0.4 CCCCCCCNC(C)=O 104336 [0,2,0,0,0,0|0,0,1]=3 244 B10R0.4 CCCCCCCOC(=O)Cl 024777 [0,2,0,0,0,0|1,0,0]=3 245 B10R0.4 NC(=O)CCCCCCCBr 104466 [0,2,0,0,0,0|1,0,0]=3 246 B10R0.4 O=C(Cl)CCCCCCCBr 477501 [0,2,0,0,0,0|1,0,0]=3 247 B10R0.4 O=C(O)CCCCCCCBr BR1099 [0,2,0,0,0,0|1,0,0]=3 248 B10R0.22 CCCCCCCS(=O)(=O)[O-] 008041 [0,2,0,0,0,0|2,0,0]=4 249 B10R0.74 CCCCCCCC(=O)OC 242814 [0,2,0,0,0,0|0,0,1]=3 250 B10R0.74 COC(=O)CCCCCCBr 077282 [0,2,0,0,0,0|1,0,1]=4 251 B10R0.75 CCCCCCC(N)C(=O)O 223120 [0,2,0,0,0,0|1,0,0]=3 252 B10R0.78 CCCCC(C)CCC(=O)O 002774 [0,2,0,0,0,0|1,0,0]=3 253 B10R0.1 CCCCCCC(=O)CCC 240668 [0,2,0,0,0,0|0,0,2]=4 254 B10R0.1 CCCCCCC(C)N=C=O 021015 [0,2,0,0,0,0|1,0,1]=4 255 B10R0.91 C=CCOC(=O)CCCCC 240754 [0,2,0,0,0,0|0,0,1]=3 256 B10R0.71 C=CCCCCCCCCBr 003439 [0,2,0,0,0,0|0,0,0]=2 257 B10R0.71 C=CCCCCCCCCI 105744 [0,2,0,0,0,0|0,0,0]=2 258 B10R0.71 C=CCCCCCCCCO 102610 [0,2,0,0,0,0|0,0,0]=2 259 B10R0.71 CCCCC#CCCCCO 009120 [0,2,0,0,0,0|1,0,1]=4 260 B10R0.71 CCCCCCCC#CCO 009119 [0,2,0,0,0,0|0,0,2]=4 261 B10R0.71 CCCCCCCCCC#N 099664 [0,2,0,0,0,0|0,0,2]=4 262 B10R0.71 CCCCCCCCCC=O 223253 [0,2,0,0,0,0|0,0,1]=3 263 B10R0.71 CCCCCCCCCCBr 099716 [0,2,0,0,0,0|0,0,2]=4 264 B10R0.71 CCCCCCCCCCF 004615 [0,2,0,0,0,0|0,0,2]=4 265 B10R0.71 CCCCCCCCCCI 148000 [0,2,0,0,0,0|0,0,2]=4 266 B10R0.71 CCCCCCCCCCN 240983 [0,2,0,0,0,0|0,0,2]=4 267 B10R0.71 CCCCCCCCCCO 043323 [0,2,0,0,0,0|0,0,2]=4 268 B10R0.71 CCCCCCCCCCS 098561 [0,2,0,0,0,0|0,0,2]=4 269 B10R0.71 CCCCCCCCCSC 099662 [0,2,0,0,0,0|0,0,2]=4 270 B10R0.71 CCCCCCCCN=C=O 104259 [0,2,0,0,0,0|0,0,2]=4 271 B10R0.71 CCCCCCCCOC=O 102669 [0,2,0,0,0,0|0,0,1]=3 272 B10R0.71 CCCCCCC\C=C\C=O 319883 [0,2,0,0,0,0|0,0,0]=2 273 B10R0.71 CCCCCCNCCC#N 018707 [0,2,0,0,0,0|0,0,2]=4 274 B10R0.71 CCCCCCNCCCC 105063 [0,2,0,0,0,0|0,0,2]=4 275 B10R0.71 CCCCCCNCCCN 105016 [0,2,0,0,0,0|0,0,2]=4 276 B10R0.71 CCCCCNCCCCC 098918 [0,2,0,0,0,0|0,0,2]=4 277 B10R0.71 CCCCC\C=C\C=C\C=O 240376 [0,2,0,0,0,0|0,0,2]=4 278 B10R0.71 CCCCOCCOCCO 448626 [0,2,0,0,0,0|1,0,1]=4 279 B10R0.71 ClCCCCCCCCCCl 210315 [0,2,0,0,0,0|0,0,2]=4 280 B10R0.71 NCCCCCCCCCN 493684 [0,2,0,0,0,0|0,0,2]=4 281 B10R0.71 OCCCCCCCCCBr 040707 [0,2,0,0,0,0|0,0,2]=4 282 B8R1.2 BrCC1CCCCC1 044195 [1,0,0,1,0,0|1,0,0]=3 283 B8R1.2 BrCC1CCCCO1 067845 [1,0,0,1,0,0|2,0,0]=4 284 B8R1.2 BrCC1CCOCC1 037029 [1,0,0,1,0,0|2,0,0]=4 285 B8R1.2 C#CC1CCCCC1 237953 [1,0,0,1,0,0|0,0,2]=4 286 B8R1.2 CC=C1CCCCC1 105541 [1,0,0,1,0,0|0,0,2]=4 287 B8R1.2 CCC1CCCCN1 238822 [1,0,0,1,0,0|1,0,0]=3 288 B8R1.2 CCC1SCCCS1 104813 [1,0,0,1,0,0|2,0,0]=4 289 B8R1.2 CCN1CCCCC1 180030 [1,0,0,1,0,0|1,0,1]=4 290 B8R1.2 CNC1CCCCC1 221640 [1,0,0,1,0,0|1,0,1]=4 291 B8R1.2 N#CC1CCCCC1 243054 [1,0,0,1,0,0|1,0,1]=4 292 B8R1.2 NCC1CCCCC1 065546 [1,0,0,1,0,0|1,0,0]=3 293 B8R1.2 NCC1CCCCN1 208655 [1,0,0,1,0,0|2,0,0]=4 294 B8R1.2 NCC1CCCNC1 092253 [1,0,0,1,0,0|2,0,0]=4 295 B8R1.2 NCC1CCNCC1 011323 [1,0,0,1,0,0|2,0,0]=4 296 B8R1.2 NCC1CCOCC1 033055 [1,0,0,1,0,0|2,0,0]=4 297 B8R1.2 NNC1CCCCC1 044302 [1,0,0,1,0,0|2,0,0]=4 298 B8R1.2 O=CC1CCCCC1 050618 [1,0,0,1,0,0|1,0,0]=3 299 B8R1.2 O=CC1CCOCC1 065305 [1,0,0,1,0,0|2,0,0]=4 300 B8R1.2 O=CN1CCCCC1 208647 [1,0,0,1,0,0|2,0,0]=4 301 B8R1.2 OCC1CCCCC1 024256 [1,0,0,1,0,0|1,0,0]=3 302 B8R1.2 OCC1CCCCN1 078983 [1,0,0,1,0,0|2,0,0]=4 303 B8R1.2 OCC1CCCCO1 067745 [1,0,0,1,0,0|2,0,0]=4 304 B8R1.2 OCC1CCCNC1 036329 [1,0,0,1,0,0|2,0,0]=4 305 B8R1.2 OCC1CCNCC1 067749 [1,0,0,1,0,0|2,0,0]=4 306 B8R1.2 OCC1CCOCC1 047969 [1,0,0,1,0,0|2,0,0]=4 307 B8R1.2 OC[C@@H]1CCCCN1 230468 [1,0,0,1,0,0|2,0,0]=4 308 B8R1.2 OC[C@H]1CCCCN1 230469 [1,0,0,1,0,0|2,0,0]=4 309 B8R1.2 [C-]#[N+]C1CCCCC1 021021 [1,0,0,1,0,0|1,0,1]=4 310 B8R1.5 Br[C@@H]1CCCC[C@H]1Br 103333 [1,0,0,1,0,0|2,0,0]=4 311 B8R1.5 CC1CCCCC1=O 463405 [1,0,0,1,0,0|1,0,0]=3 312 B8R1.5 CC1CCCCC1N 222026 [1,0,0,1,0,0|1,0,0]=3 313 B8R1.5 CC1CCCCC1O 037382 [1,0,0,1,0,0|1,0,0]=3 314 B8R1.5 CN1CCCCC1=O 240152 [1,0,0,1,0,0|2,0,0]=4 315 B8R1.5 NC1CCCCC1N 208654 [1,0,0,1,0,0|2,0,0]=4 316 B8R1.5 NC1CCCCC1O 103700 [1,0,0,1,0,0|2,0,0]=4 317 B8R1.5 N[C@@H]1CCCC[C@H]1N 012705 [1,0,0,1,0,0|2,0,0]=4 318 B8R1.5 N[C@@H]1CCCC[C@H]1O 093763 [1,0,0,1,0,0|2,0,0]=4 319 B8R1.5 N[C@@H]1CCCC[C@H]1O 095334 [1,0,0,1,0,0|2,0,0]=4 320 B8R1.5 N[C@@H]1CCCC[C@H]1O 237909 [1,0,0,1,0,0|2,0,0]=4 321 B8R1.5 N[C@H]1CCCC[C@@H]1N 012706 [1,0,0,1,0,0|2,0,0]=4 322 B8R1.5 N[C@H]1CCCC[C@@H]1N 012707 [1,0,0,1,0,0|2,0,0]=4 323 B8R1.5 N[C@H]1CCCC[C@@H]1O 078037 [1,0,0,1,0,0|2,0,0]=4 324 B8R1.5 N[C@H]1CCCC[C@H]1N 012716 [1,0,0,1,0,0|2,0,0]=4 325 B8R1.5 N[C@H]1CCCC[C@H]1O 077826 [1,0,0,1,0,0|2,0,0]=4 326 B8R1.5 O=C1CCCCC1Cl 235014 [1,0,0,1,0,0|2,0,0]=4 327 B8R1.5 OC1CCCCC1O 008843 [1,0,0,1,0,0|2,0,0]=4 328 B8R1.5 O[C@H]1CCCC[C@H]1O 219174 [1,0,0,1,0,0|2,0,0]=4 329 B8R1.8 C#CCC1CCCC1 099434 [1,0,0,1,0,0|0,0,2]=4 330 B8R1.8 ClCCN1CCCC1 042886 [1,0,0,1,0,0|2,0,0]=4 331 B8R1.8 NCCC1CCCC1 041854 [1,0,0,1,0,0|1,0,0]=3 332 B8R1.8 NCCN1CCCC1 023294 [1,0,0,1,0,0|2,0,0]=4 333 B8R1.8 O=CNC1CCCC1 103565 [1,0,0,1,0,0|2,0,0]=4 334 B8R1.8 OCCC1CCCC1 123900 [1,0,0,1,0,0|1,0,0]=3 335 B8R1.8 OCCN1CCCC1 219113 [1,0,0,1,0,0|2,0,0]=4 336 B8R1.11 CN1CCCC1CN 043819 [1,0,0,1,0,0|2,0,0]=4 337 B8R1.11 CN1CCC[C@@H]1CO 078678 [1,0,0,1,0,0|2,0,0]=4 338 B8R1.11 CN1CCC[C@H]1CO 208659 [1,0,0,1,0,0|2,0,0]=4 339 B8R1.22 BrC1CCCCCC1 238778 [1,0,0,1,0,0|1,0,0]=3 340 B8R1.22 NC1CCCCCC1 046759 [1,0,0,1,0,0|1,0,0]=3 341 B8R1.22 NC1CCCCNC1 011372 [1,0,0,1,0,0|2,0,0]=4 342 B8R1.22 O=C1C=CCCCC1 208633 [1,0,0,1,0,0|1,0,1]=4 343 B8R1.22 O=C1CCCCCC1 098940 [1,0,0,1,0,0|1,0,0]=3 344 B8R1.22 O=C1CCCCCN1 102927 [1,0,0,1,0,0|2,0,0]=4 345 B8R1.22 O=C1CCCCCO1 094875 [1,0,0,1,0,0|2,0,0]=4 346 B8R1.22 OC1CCCCCC1 235579 [1,0,0,1,0,0|1,0,0]=3 347 B8R1.22 S=C1CCCCCN1 099229 [1,0,0,1,0,0|2,0,0]=4 348 B8R1.36 C=CCOCC1CO1 101600 [1,0,0,1,0,0|2,0,0]=4 349 B8R1.36 CCCNCC1CC1 069280 [1,0,0,1,0,0|1,0,1]=4 350 B8R1.36 NCCNCC1CC1 104906 [1,0,0,1,0,0|2,0,0]=4 351 B8R1.49 C1=CCCC=CCC1 046132 [1,0,0,1,0,0|0,0,2]=4 352 B8R1.49 C1=CCCC=CCC1 048598 [1,0,0,1,0,0|0,0,2]=4 353 B8R1.49 C1=CCCC=CCC1 051170 [1,0,0,1,0,0|0,0,2]=4 354 B8R1.49 C1=CCCC=CCC1 098893 [1,0,0,1,0,0|0,0,2]=4 355 B8R1.49 C1=CCCC=CCC1 463275 [1,0,0,1,0,0|0,0,2]=4 356 B10R1.10 CC1CCCC(CCO)N1 180144 [0,1,0,1,0,0|1,0,1]=4 357 B10R1.10 CCOC1=CC(=O)CCC1 049921 [0,1,0,1,0,0|1,0,1]=4 358 B10R1.18 CC(=O)CC1CCCCC1 403679 [0,1,0,1,0,0|0,0,1]=3 359 B10R1.18 NC(=S)NC1CCCCC1 018480 [0,1,0,1,0,0|2,0,0]=4 360 B10R1.18 O=C(O)CC1CCCCC1 208902 [0,1,0,1,0,0|1,0,0]=3 361 B10R1.18 O=C(O)CC1CCCNC1 078407 [0,1,0,1,0,0|2,0,0]=4 362 B10R1.18 O=C(O)CC1CCOCC1 011896 [0,1,0,1,0,0|2,0,0]=4 363 B10R1.18 O=C(O)CN1CCCCC1 029071 [0,1,0,1,0,0|2,0,0]=4 364 B10R1.61 CC(=O)C1CCCCC1=O 068997 [0,1,0,1,0,0|1,0,1]=4 365 B10R1.61 CN1CCCCC1C(=O)O 024854 [0,1,0,1,0,0|2,0,0]=4 366 B10R1.61 N[C@@H]1CCCC[C@H]1C(=O)O 103725 [0,1,0,1,0,0|2,0,0]=4 367 B10R1.66 NC(=O)CCC1CCCC1 403705 [0,1,0,1,0,0|1,0,0]=3 368 B10R1.66 NC(=O)CCN1CCCC1 043219 [0,1,0,1,0,0|2,0,0]=4 369 B10R1.66 O=C(Cl)CCC1CCCC1 520593 [0,1,0,1,0,0|1,0,0]=3 370 B10R1.66 O=C(O)CCC1CCCC1 208901 [0,1,0,1,0,0|1,0,0]=3 371 B10R1.66 O=C(O)CCN1CCCC1 035191 [0,1,0,1,0,0|2,0,0]=4 372 B10R1.66 O=C(O)CSC1CCCC1 349419 [0,1,0,1,0,0|2,0,0]=4 373 B10R1.78 O=C1CCCCCCCN1 098992 [0,1,0,1,0,0|1,0,0]=3 374 B10R1.348 O=C(O)C1CCCCCC1 066487 [0,1,0,1,0,0|1,0,0]=3 375 B10R1.11 CCCC(O)C1CCCC1 104540 [0,1,0,1,0,0|0,0,2]=4 376 B10R1.21 CCCCCC1=CC=CO1 241560 [0,1,0,1,0,0|0,0,2]=4 377 B10R1.21 N#CCCCN1CCCC1 044666 [0,1,0,1,0,0|1,0,1]=4 378 B10R1.21 NCCCCN1CCCC1 044637 [0,1,0,1,0,0|1,0,1]=4 379 B10R1.29 NCCCN1CCCC1=O 013416 [0,1,0,1,0,0|2,0,0]=4 380 B10R1.85 ClCCN1CCCCCC1 067867 [0,1,0,1,0,0|1,0,1]=4 381 B10R1.85 NCCN1CCCCCC1 019194 [0,1,0,1,0,0|1,0,1]=4 382 B10R1.85 O=C=NC1CCCCCC1 511955 [0,1,0,1,0,0|1,0,1]=4 383 B10R1.85 OCCN1CCCCCC1 403688 [0,1,0,1,0,0|1,0,1]=4 384 B10R1.85 S=C=NC1CCCCCC1 008783 [0,1,0,1,0,0|1,0,1]=4 385 B10R1.4 CCCC1CCCCC1O 104626 [0,1,0,1,0,0|0,0,2]=4 386 B10R1.17 CCCCC1CCNCC1 076847 [0,1,0,1,0,0|0,0,2]=4 387 B10R1.17 N#CCCN1CCCCC1 317446 [0,1,0,1,0,0|1,0,1]=4 388 B10R1.17 NCCCN1CCCCC1 059558 [0,1,0,1,0,0|1,0,1]=4 389 B10R1.17 NNCCN1CCCCC1 046281 [0,1,0,1,0,0|2,0,0]=4 390 B10R1.17 OCCCC1CCCCC1 240944 [0,1,0,1,0,0|0,0,2]=4 391 B10R1.17 OCCCC1CCCCN1 309005 [0,1,0,1,0,0|1,0,1]=4 392 B10R1.17 OCCCN1CCCCC1 321845 [0,1,0,1,0,0|1,0,1]=4 393 B10R1.17 OCCNC1CCCCC1 094557 [0,1,0,1,0,0|1,0,1]=4 394 B10R1.20 CNC1CCCCC1NC 043528 [0,1,0,1,0,0|1,0,1]=4 395 B10R1.20 CN[C@@H]1CCCC[C@H]1NC 011504 [0,1,0,1,0,0|1,0,1]=4 396 B10R1.20 CN[C@@H]1CCCC[C@H]1NC 012698 [0,1,0,1,0,0|1,0,1]=4 397 B10R1.20 CN[C@H]1CCCC[C@@H]1NC 034487 [0,1,0,1,0,0|1,0,1]=4 398 B10R1.15 CC(CO)C1CCCCC1 239818 [0,1,0,1,0,0|1,0,1]=4 399 B10R1.15 N[C@@H](CO)C1CCCCC1 225989 [0,1,0,1,0,0|1,0,1]=4 400 B10R1.15 N[C@H](CO)C1CCCCC1 229936 [0,1,0,1,0,0|1,0,1]=4 401 B10R2.7 C1CN=C2CCCN2C1 044323 [0,0,0,2,0,0|2,0,0]=4 402 B10R2.62 O=C1CC2CCC1CC2 362052 [0,0,0,2,0,0|1,0,0]=3 403 B10R2.62 O=C1CN2CCC1CC2 069044 [0,0,0,2,0,0|2,0,0]=4 404 B10R2.320 O=C1NC2CCCCC12 325670 [0,0,0,2,0,0|2,0,0]=4 405 B10R2.99 C=CC1CC2C=CC1C2 106341 [0,0,0,2,0,0|0,0,2]=4 406 B10R2.99 O=CC1CC2C=CC1C2 005462 [0,0,0,2,0,0|1,0,1]=4 407 B10R2.99 OCC1CC2C=CC1C2 005463 [0,0,0,2,0,0|1,0,0]=3 408 B10R2.109 C=CC1CCC2OC2C1 242917 [0,0,0,2,0,0|1,0,0]=3