0 B10R0.71 C=CCCCCCCCCBr 003439 [0,0,0,0,0,0|1,0,2]=3 1 B10R0.71 C=CCCCCCCCCI 105744 [0,0,0,0,0,0|1,0,2]=3 2 B10R0.71 C=CCCCCCCCCO 102610 [0,0,0,0,0,0|0,0,2]=2 3 B10R0.71 CCCCC#CCCCCO 009120 [0,0,0,0,0,0|0,0,2]=2 4 B10R0.71 CCCCCCCC#CCO 009119 [0,0,0,0,0,0|0,0,2]=2 5 B10R0.71 CCCCCCCCCC#N 099664 [0,0,0,0,0,0|1,0,1]=2 6 B10R0.71 CCCCCCCCCC=O 223253 [0,0,0,0,0,0|0,0,2]=2 7 B10R0.71 CCCCCCCCCCBr 099716 [0,0,0,0,0,0|1,0,0]=1 8 B10R0.71 CCCCCCCCCCF 004615 [0,0,0,0,0,0|1,0,0]=1 9 B10R0.71 CCCCCCCCCCI 148000 [0,0,0,0,0,0|1,0,0]=1 10 B10R0.71 CCCCCCCCCCN 240983 [0,0,0,0,0,0|1,0,0]=1 11 B10R0.71 CCCCCCCCCCO 043323 [0,0,0,0,0,0|0,0,0]=0 12 B10R0.71 CCCCCCCCCCS 098561 [0,0,0,0,0,0|0,1,0]=1 13 B10R0.71 CCCCCCCCCSC 099662 [0,0,0,0,0,0|2,0,0]=2 14 B10R0.71 CCCCCCCCN=C=O 104259 [0,0,0,0,0,0|1,0,2]=3 15 B10R0.71 CCCCCCCCOC=O 102669 [0,0,0,0,0,0|1,0,2]=3 16 B10R0.71 CCCCCCC\C=C\C=O 319883 [0,0,0,0,0,0|0,0,4]=4 17 B10R0.71 CCCCCCNCCC#N 018707 [0,0,0,0,0,0|2,0,1]=3 18 B10R0.71 CCCCCCNCCCC 105063 [0,0,0,0,0,0|2,0,0]=2 19 B10R0.71 CCCCCCNCCCN 105016 [0,0,0,0,0,0|2,0,0]=2 20 B10R0.71 CCCCCNCCCCC 098918 [0,0,0,0,0,0|2,0,0]=2 21 B10R0.71 CCCCOCCOCCO 448626 [0,0,0,0,0,0|2,0,0]=2 22 B10R0.71 CCOCCNCCOCC 099253 [0,0,0,0,0,0|4,0,0]=4 23 B10R0.71 COCCOCCOCCO 432199 [0,0,0,0,0,0|3,0,0]=3 24 B10R0.71 ClCCCCCCCCCCl 210315 [0,0,0,0,0,0|2,0,0]=2 25 B10R0.71 NCCCCCCCCCN 493684 [0,0,0,0,0,0|2,0,0]=2 26 B10R0.71 OCCCCCCCCCBr 040707 [0,0,0,0,0,0|1,0,0]=1 27 B9R0.45 BrCCCCCCCCBr 212569 [1,0,0,0,0,0|2,0,0]=3 28 B9R0.45 C#CCCCCCCCC 124500 [1,0,0,0,0,0|0,0,2]=3 29 B9R0.45 C#CCCCCCCCO 243040 [1,0,0,0,0,0|0,0,2]=3 30 B9R0.45 C=CCCCCCCCBr 080314 [1,0,0,0,0,0|1,0,2]=4 31 B9R0.45 C=CCCCCCCCC 200050 [1,0,0,0,0,0|0,0,2]=3 32 B9R0.45 C=CCCCCCCNC 104201 [1,0,0,0,0,0|1,0,2]=4 33 B9R0.45 CCCCC#CCCCC 124505 [1,0,0,0,0,0|0,0,2]=3 34 B9R0.45 CCCCCCCCC=O 018925 [1,0,0,0,0,0|0,0,2]=3 35 B9R0.45 CCCCCCCCCBr 001132 [1,0,0,0,0,0|1,0,0]=2 36 B9R0.45 CCCCCCCCCC 520891 [1,0,0,0,0,0|0,0,0]=1 37 B9R0.45 CCCCCCCCCI 149300 [1,0,0,0,0,0|1,0,0]=2 38 B9R0.45 CCCCCCCCCN 018926 [1,0,0,0,0,0|1,0,0]=2 39 B9R0.45 CCCCCCCCCO 101572 [1,0,0,0,0,0|0,0,0]=1 40 B9R0.45 CCCCCCCCNC 046353 [1,0,0,0,0,0|1,0,0]=2 41 B9R0.45 CCCCCCCN=C=O 050930 [1,0,0,0,0,0|1,0,2]=4 42 B9R0.45 CCCCCCCN=C=S 008975 [1,0,0,0,0,0|1,1,1]=4 43 B9R0.45 CCCCCCNCCN 457429 [1,0,0,0,0,0|2,0,0]=3 44 B9R0.45 CCCCCNCCC#N 018937 [1,0,0,0,0,0|2,0,1]=4 45 B9R0.45 CCCCCNCCCC 105047 [1,0,0,0,0,0|1,0,0]=2 46 B9R0.45 CCCCCNCCCN 104978 [1,0,0,0,0,0|2,0,0]=3 47 B9R0.45 ClCCCCCCCCCl 099031 [1,0,0,0,0,0|2,0,0]=3 48 B9R0.45 ICCCCCCCCI 104507 [1,0,0,0,0,0|2,0,0]=3 49 B9R0.45 NCCCCCCCCN 462631 [1,0,0,0,0,0|2,0,0]=3 50 B9R0.45 NCCOCCOCCO 237702 [1,0,0,0,0,0|3,0,0]=4 51 B9R0.45 OCCCCCCCCBr 037015 [1,0,0,0,0,0|1,0,0]=2 52 B9R0.45 OCCCCCCCCO 078005 [1,0,0,0,0,0|1,0,0]=2 53 B9R0.45 OCCNCCNCCO 099106 [1,0,0,0,0,0|3,0,0]=4 54 B9R0.45 OCCOCCOCCCl 240359 [1,0,0,0,0,0|3,0,0]=4 55 B9R0.45 OCCOCCOCCO 209050 [1,0,0,0,0,0|3,0,0]=4 56 B11R0.3 BrCCCCCCCCCCBr 126000 [0,1,0,0,0,0|1,0,0]=2 57 B11R0.3 C#CCCCCCCCCCO 013739 [0,1,0,0,0,0|0,0,1]=2 58 B11R0.3 C=CCCCCCCCCCBr 001789 [0,1,0,0,0,0|1,0,1]=3 59 B11R0.3 C=CCCCCCCCCCC 200052 [0,1,0,0,0,0|1,0,0]=2 60 B11R0.3 C=CCCCCCCCCCCl 005335 [0,1,0,0,0,0|1,0,1]=3 61 B11R0.3 C=CCCCCCCCCCO 075031 [0,1,0,0,0,0|0,0,1]=2 62 B11R0.3 CCCCCCCCCCCC 099221 [0,1,0,0,0,0|1,0,0]=2 63 B11R0.3 CCCCCCCCCCCO 349306 [0,1,0,0,0,0|0,0,0]=1 64 B11R0.3 CCCCCCCCNCCC 105042 [0,1,0,0,0,0|1,0,0]=2 65 B11R0.3 CCCCCCCC\C=C\C=O 104010 [0,1,0,0,0,0|0,0,3]=4 66 B11R0.3 CNCCCCCCCCCO 104744 [0,1,0,0,0,0|0,0,0]=1 67 B11R0.3 C\C=C\CCCCCCCC=O 104614 [0,1,0,0,0,0|0,0,3]=4 68 B11R0.3 ICCCCCCCCCCI 241327 [0,1,0,0,0,0|1,0,0]=2 69 B11R0.3 N#CCCCCCCCCC#N 099701 [0,1,0,0,0,0|1,0,2]=4 70 B11R0.3 NCCCCCCCCCCN 235695 [0,1,0,0,0,0|1,0,0]=2 71 B11R0.3 NCCCNCCNCCCN 241317 [0,1,0,0,0,0|3,0,0]=4 72 B11R0.3 OCCCCCCCCCCO 221944 [0,1,0,0,0,0|0,0,0]=1 73 B11R0.4 CCOC(=O)CCCCCCBr 093462 [0,1,0,0,0,0|2,0,1]=4 74 B11R0.40 CCCCCCCCC(C)C=O 102661 [0,1,0,0,0,0|0,0,2]=3 75 B11R0.40 CCCCCCCCC(C)CO 104618 [0,1,0,0,0,0|0,0,0]=1 76 B11R0.40 CNC(=O)CCCCCCCBr 104471 [0,1,0,0,0,0|2,0,1]=4 77 B11R0.140 CCCCCC(=O)CCCCC 241281 [0,1,0,0,0,0|1,0,1]=3 78 B11R0.140 CCCCCC(O)CCCCC 180377 [0,1,0,0,0,0|1,0,0]=2 79 B11R0.148 C=CCCCCCCCC(=O)O 002775 [0,1,0,0,0,0|0,0,3]=4 80 B11R0.148 CCCCCCCCCC(=O)Cl 099542 [0,1,0,0,0,0|0,0,2]=3 81 B11R0.148 CCCCCCCCCC(=O)O 102961 [0,1,0,0,0,0|0,0,1]=2 82 B11R0.148 CCCCCCCCCC(C)=O 106727 [0,1,0,0,0,0|0,0,2]=3 83 B11R0.148 CCCCCCCCCC(N)=O 180363 [0,1,0,0,0,0|0,0,2]=3 84 B11R0.148 CCCCCCCCNC(N)=S 018931 [0,1,0,0,0,0|1,1,1]=4 85 B11R0.148 O=C(O)CCCCCCCCBr 036989 [0,1,0,0,0,0|1,0,1]=3 86 B11R1.17 COCCC1CCCCN1C 032598 [0,0,0,1,0,0|3,0,0]=4 87 B11R1.28 CCCCCN1CCNCC1 009819 [0,0,0,1,0,0|3,0,0]=4 88 B11R1.28 ClCCCOC1CCCCO1 104242 [0,0,0,1,0,0|2,0,0]=3 89 B11R1.28 N#CCCCN1CCCCC1 080096 [0,0,0,1,0,0|2,0,1]=4 90 B11R1.28 N#CCCNC1CCCCC1 018475 [0,0,0,1,0,0|2,0,1]=4 91 B11R1.28 NCCCCN1CCCCC1 058989 [0,0,0,1,0,0|2,0,0]=3 92 B11R1.28 NCCCCN1CCOCC1 075599 [0,0,0,1,0,0|3,0,0]=4 93 B11R1.28 NCCCNC1CCCCC1 242596 [0,0,0,1,0,0|2,0,0]=3 94 B11R1.117 S=C=NC1CCCCCCC1 008785 [0,0,0,1,0,0|1,1,1]=4 95 B11R1.180 CCCCCC1CCCC1=O 239571 [0,0,0,1,0,0|0,0,2]=3 96 B11R1.180 CCCCCC1CCCC1O 104687 [0,0,0,1,0,0|0,0,0]=1 97 B11R1.203 CCCCN1CCCNCC1 017274 [0,0,0,1,0,0|3,0,0]=4 98 B8R0.4 BrCCCCCCCBr 235871 [2,0,0,0,0,0|2,0,0]=4 99 B8R0.4 CCCCC#CCCO 162900 [2,0,0,0,0,0|0,0,2]=4 100 B8R0.4 CCCCCCCC#N 098851 [2,0,0,0,0,0|1,0,1]=4 101 B8R0.4 CCCCCCCC=O 349298 [2,0,0,0,0,0|0,0,2]=4 102 B8R0.4 CCCCCCCCBr 021865 [2,0,0,0,0,0|1,0,0]=3 103 B8R0.4 CCCCCCCCCl 520471 [2,0,0,0,0,0|1,0,0]=3 104 B8R0.4 CCCCCCCCI 104506 [2,0,0,0,0,0|1,0,0]=3 105 B8R0.4 CCCCCCCCN 099074 [2,0,0,0,0,0|1,0,0]=3 106 B8R0.4 CCCCCCCCO 098917 [2,0,0,0,0,0|0,0,0]=2 107 B8R0.4 CCCCCCCCS 099014 [2,0,0,0,0,0|0,1,0]=3 108 B8R0.4 CCCCCCCNC 104338 [2,0,0,0,0,0|1,0,0]=3 109 B8R0.4 CCCCCNCCC 104994 [2,0,0,0,0,0|1,0,0]=3 110 B8R0.4 CCCCNCCCC 095822 [2,0,0,0,0,0|1,0,0]=3 111 B8R0.4 CCCCNCCCN 104976 [2,0,0,0,0,0|2,0,0]=4 112 B8R0.4 CCCCOCCCN 386779 [2,0,0,0,0,0|2,0,0]=4 113 B8R0.4 CCCCSCCCC 098351 [2,0,0,0,0,0|1,0,0]=3 114 B8R0.4 CCCC\C=C/CCO 106319 [2,0,0,0,0,0|0,0,2]=4 115 B8R0.4 CNCCCCCCO 062955 [2,0,0,0,0,0|1,0,0]=3 116 B8R0.4 NCCCCCCCN 321947 [2,0,0,0,0,0|2,0,0]=4 117 B10R0.1 CCCCCCC(=O)CCC 240668 [1,1,0,0,0,0|0,0,1]=3 118 B10R0.4 CC(C)CCCCCCCO 242242 [1,1,0,0,0,0|0,0,0]=2 119 B10R0.4 CCCCCCCCC(=O)Cl 099081 [1,1,0,0,0,0|0,0,2]=4 120 B10R0.4 CCCCCCCCC(=O)O 161400 [1,1,0,0,0,0|0,0,1]=3 121 B10R0.4 CCCCCCCCC(N)=O 099214 [1,1,0,0,0,0|0,0,2]=4 122 B10R0.4 CCCCCCCCN(C)C 098964 [1,1,0,0,0,0|1,0,0]=3 123 B10R0.4 CCCCCCCNC(C)=O 104336 [1,1,0,0,0,0|1,0,1]=4 124 B10R0.4 O=C(O)CCCCCCCBr BR1099 [1,1,0,0,0,0|1,0,1]=4 125 B10R0.74 CCCCCCCC(=O)OC 242814 [1,1,0,0,0,0|1,0,1]=4 126 B12R0.1 CCCCCCCCC(=O)OCC 240753 [0,2,0,0,0,0|1,0,1]=4 127 B12R0.1 CCOC(=O)CCCCCCCBr 043688 [0,2,0,0,0,0|1,0,1]=4 128 B12R0.5 CCCCCCCCCCCC=O 099711 [0,2,0,0,0,0|0,0,1]=3 129 B12R0.5 CCCCCCCCCCCCBr BR1063 [0,2,0,0,0,0|1,0,0]=3 130 B12R0.5 CCCCCCCCCCCCC 242173 [0,2,0,0,0,0|1,0,0]=3 131 B12R0.5 CCCCCCCCCCCCCl 103779 [0,2,0,0,0,0|1,0,0]=3 132 B12R0.5 CCCCCCCCCCCCN 358344 [0,2,0,0,0,0|1,0,0]=3 133 B12R0.5 CCCCCCCCCCCCO 358252 [0,2,0,0,0,0|0,0,0]=2 134 B12R0.5 CCCCCCCCCCCCS 095002 [0,2,0,0,0,0|0,1,0]=3 135 B12R0.5 CCCCCCCCCCN=C=S 008787 [0,2,0,0,0,0|0,1,0]=3 136 B12R0.5 CCCCCCCCC\C=C\C=O 106698 [0,2,0,0,0,0|0,0,2]=4 137 B12R0.5 CCCCCCCCNCCC#N 018928 [0,2,0,0,0,0|1,0,0]=3 138 B12R0.5 CCCCCCCCNCCCC 105074 [0,2,0,0,0,0|1,0,0]=3 139 B12R0.5 CCCCCCCCNCCCN 105080 [0,2,0,0,0,0|1,0,0]=3 140 B12R0.5 CCCCCCNCCCCCC 336045 [0,2,0,0,0,0|1,0,0]=3 141 B12R0.5 CCCCCCOCCOCCO 099210 [0,2,0,0,0,0|0,0,0]=2 142 B12R0.5 NCCOCCOCCOCCO 210206 [0,2,0,0,0,0|2,0,0]=4 143 B12R0.5 OCCCCCCCCCCCBr 216396 [0,2,0,0,0,0|0,0,0]=2 144 B12R0.5 OCCOCCOCCOCCO 234371 [0,2,0,0,0,0|2,0,0]=4 145 B12R0.234 C=CCCCCCCCCC(=O)O 228026 [0,2,0,0,0,0|0,0,2]=4 146 B12R0.234 C=CCCCCCCCCC(=O)O 386316 [0,2,0,0,0,0|0,0,2]=4 147 B12R0.234 CCCCCCCCCCN(C)C 460597 [0,2,0,0,0,0|1,0,0]=3 148 B12R0.234 O=C(O)CCCCCCCCCBr 215643 [0,2,0,0,0,0|0,0,1]=3 149 B12R0.248 CCCCCCCCCC(=O)NC 104822 [0,2,0,0,0,0|0,0,2]=4 150 B12R0.248 CCCCCCCCCC(C)C=O 103624 [0,2,0,0,0,0|0,0,1]=3 151 B10R1.4 CCCC1CCCCC1O 104626 [1,0,0,1,0,0|0,0,0]=2 152 B10R1.17 CCCCC1CCNCC1 076847 [1,0,0,1,0,0|1,0,0]=3 153 B10R1.17 NCCCN1CCCCC1 059558 [1,0,0,1,0,0|2,0,0]=4 154 B10R1.17 OCCCC1CCCCC1 240944 [1,0,0,1,0,0|0,0,0]=2 155 B10R1.17 OCCCC1CCCCN1 309005 [1,0,0,1,0,0|1,0,0]=3 156 B10R1.17 OCCCN1CCCCC1 321845 [1,0,0,1,0,0|1,0,0]=3 157 B10R1.17 OCCCN1CCNCC1 024792 [1,0,0,1,0,0|2,0,0]=4 158 B10R1.17 OCCCN1CCNCC1 106524 [1,0,0,1,0,0|2,0,0]=4 159 B10R1.17 OCCCN1CCOCC1 079623 [1,0,0,1,0,0|2,0,0]=4 160 B10R1.17 OCCNC1CCCCC1 094557 [1,0,0,1,0,0|1,0,0]=3 161 B10R1.17 OCCOC1CCCCO1 542337 [1,0,0,1,0,0|2,0,0]=4 162 B10R1.20 CNC1CCCCC1NC 043528 [1,0,0,1,0,0|2,0,0]=4 163 B10R1.20 CN[C@@H]1CCCC[C@H]1NC 011504 [1,0,0,1,0,0|2,0,0]=4 164 B10R1.20 CN[C@@H]1CCCC[C@H]1NC 012698 [1,0,0,1,0,0|2,0,0]=4 165 B10R1.20 CN[C@H]1CCCC[C@@H]1NC 034487 [1,0,0,1,0,0|2,0,0]=4 166 B10R1.21 NCCCCN1CCCC1 044637 [1,0,0,1,0,0|2,0,0]=4 167 B10R1.85 ClCCN1CCCCCC1 067867 [1,0,0,1,0,0|2,0,0]=4 168 B10R1.85 NCCN1CCCCCC1 019194 [1,0,0,1,0,0|2,0,0]=4 169 B10R1.85 OCCN1CCCCCC1 403688 [1,0,0,1,0,0|1,0,0]=3 170 B12R1.8 CCNCCNC1CCCCC1 024588 [0,1,0,1,0,0|2,0,0]=4 171 B12R1.372 CCCCCCN1CCCC1=O 040278 [0,1,0,1,0,0|0,0,2]=4 172 B12R1.28 CCCCCC1CCCC(=O)O1 235502 [0,1,0,1,0,0|0,0,1]=3 173 B12R1.308 CCOC(=O)[C@@H]1CCCC[C@@H]1O 050038 [0,1,0,1,0,0|1,0,1]=4 174 B12R1.1 CC1CCN(CCCCN)CC1 080099 [0,1,0,1,0,0|2,0,0]=4 175 B12R1.252 O=C(O)CCCC1CCCCC1 099671 [0,1,0,1,0,0|0,0,1]=3 176 B12R1.252 O=C(O)CCCC1CCNCC1 040577 [0,1,0,1,0,0|1,0,1]=4 177 B12R2.98 C1CCC(NC2CCCC2)C1 034921 [0,0,0,2,0,0|2,0,0]=4 178 B12R2.24 O=C1CCC2CCCCC2C1 099192 [0,0,0,2,0,0|0,0,2]=4 179 B12R2.24 OC1CCC2CCCCC2C1 103538 [0,0,0,2,0,0|0,0,0]=2 180 B12R2.1081 BrC1CCCC2CNCCC12 329500 [0,0,0,2,0,0|2,0,0]=4 181 B12R2.1081 O=C1CCC[C@@H]2CCCC[C@@H]12 245835 [0,0,0,2,0,0|0,0,2]=4 182 B12R2.1081 [C@@H]12CCCC[C@@H]1C(O)CCC2 209157 [0,0,0,2,0,0|0,0,0]=2 183 B12R2.4370 C1CC[N+]2(CC1)CCCCC2 024496 [0,0,0,2,0,0|2,0,0]=4