0 B9R0.45 C#CCCC#CCCCC CDS000098 [0,0,0,0,0,0|1,0,3]=4 1 B9R0.45 C(=C/CCCCO)\CCI T166057 [0,0,0,0,0,0|3,0,1]=4 2 B9R0.45 C(=C\CCCCO)\CCI T166065 [0,0,0,0,0,0|3,0,1]=4 3 B9R0.45 CCCCCCC#CCBr PH009441 [0,0,0,0,0,0|2,0,2]=4 4 B9R0.45 CCCCCCCCNC CDS003222 [0,0,0,0,0,0|2,0,0]=2 5 B9R0.45 CCCCCCCCON PH014161 [0,0,0,0,0,0|3,0,0]=3 6 B9R0.45 CCCCCCCC[Hg]Cl S572551 [0,0,0,0,0,0|3,0,0]=3 7 B9R0.45 CCCCCCCN=C=S PH011071 [0,0,0,0,0,0|3,0,1]=4 8 B9R0.45 CCCCCCOCC#N S240370 [0,0,0,0,0,0|3,0,1]=4 9 B9R0.45 CCCCCCSCCO S362344 [0,0,0,0,0,0|3,0,0]=3 10 B9R0.45 CCCCCNCCC#N PH011475 [0,0,0,0,0,0|2,0,1]=3 11 B9R0.45 CCCCCNCCCC OTV000733 [0,0,0,0,0,0|1,0,0]=1 12 B9R0.45 CCCCNCCCCO PH011467 [0,0,0,0,0,0|2,0,0]=2 13 B9R0.45 CCCSCCSCCC S347841 [0,0,0,0,0,0|3,0,0]=3 14 B9R0.45 CCNCC#CCNCC S388424 [0,0,0,0,0,0|3,0,1]=4 15 B9R0.45 CCSCCCCSCC S347833 [0,0,0,0,0,0|3,0,0]=3 16 B9R0.45 CSCCCCCCSC S347825 [0,0,0,0,0,0|3,0,0]=3 17 B8R0.4 C#CCCCCCCO SYX00205 [1,0,0,0,0,0|1,0,2]=4 18 B8R0.4 C(=C/CCCCCO)\C T264652 [1,0,0,0,0,0|1,0,2]=4 19 B8R0.4 CC#CCCCCCO T264709 [1,0,0,0,0,0|1,0,2]=4 20 B8R0.4 CCCCCCCSC S570729 [1,0,0,0,0,0|1,0,0]=2 21 B8R0.4 CCCCCCC[Hg]Cl S572500 [1,0,0,0,0,0|2,0,0]=3 22 B8R0.4 CCCCCSCCO S357928 [1,0,0,0,0,0|1,1,0]=3 23 B8R0.4 CCCCNCCC#N S399493 [1,0,0,0,0,0|2,0,1]=4 24 B8R0.4 CCCCNCCCC S367869 [1,0,0,0,0,0|1,0,0]=2 25 B8R0.4 CCCCNCCCC S503894 [1,0,0,0,0,0|1,0,0]=2 26 B8R0.4 CCCCNCCCC S566152 [1,0,0,0,0,0|1,0,0]=2 27 B8R0.4 CCCSSSCCC CDS017270 [1,0,0,0,0,0|2,1,0]=4 28 B8R0.4 CCNCCCCCO PH007898 [1,0,0,0,0,0|2,0,0]=3 29 B8R0.4 COCCCNCCO OTV000453 [1,0,0,0,0,0|3,0,0]=4 30 B8R0.4 CSCCCCCCO S931667 [1,0,0,0,0,0|2,0,0]=3 31 B8R0.4 CSCCCCCSC S375896 [1,0,0,0,0,0|2,0,0]=3 32 B8R0.4 NCCCOCCCN PH000107 [1,0,0,0,0,0|2,0,0]=3 33 B8R0.4 OCCCNCCCO PH010217 [1,0,0,0,0,0|3,0,0]=4 34 B8R0.4 [NH2+](CCCC)CCCC S348880 [1,0,0,0,0,0|1,0,0]=2 35 B10R0.1 CCCCCOC(=O)CC#N S549703 [0,1,0,0,0,0|1,0,2]=4 36 B10R0.4 C=C(C)COCOCCOC S890952 [0,1,0,0,0,0|2,0,1]=4 37 B10R0.4 CC(C)CCCCCCCO PH008704 [0,1,0,0,0,0|2,0,0]=3 38 B10R0.4 CCCCCCCCC(=N)N PH012190 [0,1,0,0,0,0|2,0,1]=4 39 B10R0.4 CCCCCCCCC(=O)N S595268 [0,1,0,0,0,0|2,0,1]=4 40 B10R0.4 CCCCCCCCC(C)N T151068 [0,1,0,0,0,0|1,0,0]=2 41 B10R0.4 CCCCCCCC[N+](=O)[O-] S917680 [0,1,0,0,0,0|3,0,0]=4 42 B10R0.4 CCCCCCCNC(=O)C R704377 [0,1,0,0,0,0|2,0,1]=4 43 B10R0.4 COCCOCCOC(=O)C S705659 [0,1,0,0,0,0|2,0,1]=4 44 B10R0.71 C#CCCCCCCCCC CDS001229 [0,1,0,0,0,0|1,0,1]=3 45 B10R0.71 CCCCCCCCCCF S570354 [0,1,0,0,0,0|1,0,0]=2 46 B10R0.71 CCCCCCCCN=C=S CDS013725 [0,1,0,0,0,0|2,0,1]=4 47 B10R0.71 CCCCCCCCSCC S570656 [0,1,0,0,0,0|1,0,0]=2 48 B10R0.71 CCCCCCCSCCO S362220 [0,1,0,0,0,0|2,0,0]=3 49 B10R0.71 CCCCCCNCCCC OTV000454 [0,1,0,0,0,0|1,0,0]=2 50 B10R0.71 CCCCCCOCCCN S392022 [0,1,0,0,0,0|1,0,0]=2 51 B10R0.71 CCCCCNCCCCC S503770 [0,1,0,0,0,0|1,0,0]=2 52 B10R0.71 CCOCCNCCOCC CDS000629 [0,1,0,0,0,0|2,0,0]=3 53 B10R0.71 COCCCCCCCCN PH012543 [0,1,0,0,0,0|2,0,0]=3 54 B10R0.71 ICCCCCCCCCI S764507 [0,1,0,0,0,0|2,0,0]=3 55 B10R0.71 NCCCOCCOCCO PH002424 [0,1,0,0,0,0|2,0,0]=3 56 B10R0.71 [NH2+](CCCCl)CCCCCC R738158 [0,1,0,0,0,0|2,0,0]=3 57 B10R0.74 CCCCCC#CC(=O)CC S128325 [0,1,0,0,0,0|1,0,2]=4 58 B10R0.74 CCCCCCCC(=O)CC S544043 [0,1,0,0,0,0|1,0,1]=3 59 B10R0.74 CCCCCCCC(O)CC CDS001495 [0,1,0,0,0,0|1,0,0]=2 60 B10R0.91 CCCCNC(=O)CNCC PH014734 [0,1,0,0,0,0|2,0,1]=4 61 B10R0.91 CCCCOC(=O)CCCN T160474 [0,1,0,0,0,0|1,0,1]=3 62 B10R0.91 CCCCOC(C)OCC#N PH007424 [0,1,0,0,0,0|2,0,1]=4 63 B10R1.4 CC1CCCCN1CCN PH015207 [0,0,0,1,0,0|3,0,0]=4 64 B10R1.4 CCCC1CCCCC1O S365769 [0,0,0,1,0,0|2,0,0]=3 65 B10R1.4 CN1CCCCC1CCBr CBR00713 [0,0,0,1,0,0|3,0,0]=4 66 B10R1.4 CNCC1CCCCN1C CBR00038 [0,0,0,1,0,0|3,0,0]=4 67 B10R1.7 BrC1CCCCCCC1Br S39072 [0,0,0,1,0,0|3,0,0]=4 68 B10R1.7 BrC1CCCCCCC1Br S509000 [0,0,0,1,0,0|3,0,0]=4 69 B10R1.7 CC1CCCCCCC1=O S53075 [0,0,0,1,0,0|2,0,1]=4 70 B10R1.17 BrCCCC1CCCCC1 S345016 [0,0,0,1,0,0|2,0,0]=3 71 B10R1.17 CCCCC1NCCCS1 T149721 [0,0,0,1,0,0|1,1,0]=3 72 B10R1.17 CCCCN1CCOCC1 S551961 [0,0,0,1,0,0|2,0,0]=3 73 B10R1.17 CCCNC1CCCCC1 CDS008806 [0,0,0,1,0,0|2,0,0]=3 74 B10R1.17 CCNCC1CCCCO1 CBR00835 [0,0,0,1,0,0|1,0,0]=2 75 B10R1.17 CCNCC1CNCCO1 CDS015778 [0,0,0,1,0,0|2,0,0]=3 76 B10R1.17 CCON=C1CCCCC1 S648353 [0,0,0,1,0,0|3,0,0]=4 77 B10R1.17 CNCCN1CCOCC1 CDS008441 [0,0,0,1,0,0|3,0,0]=4 78 B10R1.17 COCCC1CCCCN1 CBR00752 [0,0,0,1,0,0|2,0,0]=3 79 B10R1.17 COCCC1CNCCO1 CBR00148 [0,0,0,1,0,0|2,0,0]=3 80 B10R1.17 ClCCCC1CCCCC1 R426857 [0,0,0,1,0,0|2,0,0]=3 81 B10R1.17 N#CCCC1CCCCC1 PH010247 [0,0,0,1,0,0|2,0,1]=4 82 B10R1.17 N#CCCN1CCCCC1 PH016680 [0,0,0,1,0,0|2,0,1]=4 83 B10R1.17 O=CCCC1CCCCC1 CDS019184 [0,0,0,1,0,0|2,0,1]=4 84 B10R1.17 OCCCC1CCCCN1 CBR01786 [0,0,0,1,0,0|2,0,0]=3 85 B10R1.17 OCCCC1CCCNC1 CBR00005 [0,0,0,1,0,0|3,0,0]=4 86 B10R1.17 OCCCC1SCCCS1 T292559 [0,0,0,1,0,0|2,1,0]=4 87 B10R1.17 OCCNC1CCCCC1 T308269 [0,0,0,1,0,0|3,0,0]=4 88 B10R1.17 [C-]#[N+]CCN1CCCCC1 PH015020 [0,0,0,1,0,0|2,0,1]=4 89 B10R1.19 CCC1CNCCCN1C PH019473 [0,0,0,1,0,0|2,0,0]=3 90 B10R1.21 CCCCCC1=NCCS1 PH008239 [0,0,0,1,0,0|3,0,0]=4 91 B10R1.21 CCNCCN1CCCC1 CBR00390 [0,0,0,1,0,0|2,0,0]=3 92 B10R1.21 NCCCCN1CCCC1 PH010578 [0,0,0,1,0,0|2,0,0]=3 93 B10R1.21 NCCCOC1CCCC1 CBR01499 [0,0,0,1,0,0|1,0,0]=2 94 B10R1.29 CCCCN1CCCC1=O S434221 [0,0,0,1,0,0|2,0,1]=4 95 B10R1.78 CC1CCCCCCCC1 T187364 [0,0,0,1,0,0|1,0,0]=2 96 B10R1.85 CCCN1CCCNCC1 PH014388 [0,0,0,1,0,0|3,0,0]=4 97 B10R1.85 CCNC1CCCCCC1 CBR00395 [0,0,0,1,0,0|2,0,0]=3 98 B10R1.85 COCC1CNCCOC1 PH019382 [0,0,0,1,0,0|2,0,0]=3 99 B10R1.85 ClCCN1CCCCCC1 CDS001460 [0,0,0,1,0,0|3,0,0]=4 100 B10R1.85 NCCC1CCCCCC1 CBR01497 [0,0,0,1,0,0|2,0,0]=3 101 B10R1.85 OCCN1CCCCCC1 S362328 [0,0,0,1,0,0|3,0,0]=4 102 B10R1.185 C1=CCCCCCCCC1 S462977 [0,0,0,1,0,0|1,0,1]=3 103 B7R0.1 CCCCCC[Hg]Cl S572519 [2,0,0,0,0,0|2,0,0]=4 104 B7R0.1 CCCCCON=O CDS000385 [2,0,0,0,0,0|2,0,0]=4 105 B7R0.1 CCCCSCCC S367192 [2,0,0,0,0,0|0,1,0]=3 106 B7R0.1 CCCCSCCO S527408 [2,0,0,0,0,0|1,1,0]=4 107 B7R0.1 CCCOCCCN CDS000217 [2,0,0,0,0,0|1,0,0]=3 108 B7R0.1 CCOCCCNN PH019429 [2,0,0,0,0,0|2,0,0]=4 109 B7R0.1 CCSCCSCC S347876 [2,0,0,0,0,0|1,1,0]=4 110 B7R0.1 CNCCCCCO PH007838 [2,0,0,0,0,0|2,0,0]=4 111 B7R0.1 COCCCCCO PH003271 [2,0,0,0,0,0|2,0,0]=4 112 B7R0.1 COCCOCCN CDS022898 [2,0,0,0,0,0|2,0,0]=4 113 B9R0.2 CCCCCCCC(C)Br S438758 [1,1,0,0,0,0|0,0,0]=2 114 B9R0.2 CCCNOCCC(=O)C S581321 [1,1,0,0,0,0|1,0,1]=4 115 B9R0.5 C=CCC(O)CCCCC S417475 [1,1,0,0,0,0|0,0,2]=4 116 B9R0.5 CCCCCC(=O)CCC S411825 [1,1,0,0,0,0|0,0,1]=3 117 B9R0.5 CCCCCC(C)CCC S431648 [1,1,0,0,0,0|0,0,0]=2 118 B9R0.5 CCCCCC(C)CCN PH007332 [1,1,0,0,0,0|1,0,0]=3 119 B9R0.5 CCCCNC(=O)CCC EME00389 [1,1,0,0,0,0|1,0,1]=4 120 B9R0.5 CCCCOC(C)OCC S240214 [1,1,0,0,0,0|1,0,0]=3 121 B9R0.5 CCOC(C)OCCCBr T204005 [1,1,0,0,0,0|2,0,0]=4 122 B9R0.18 CCCCC(C)OCC#N S240389 [1,1,0,0,0,0|1,0,1]=4 123 B9R0.18 CCOCC(O)COCC S433292 [1,1,0,0,0,0|2,0,0]=4 124 B9R0.46 CCCCCC[C@@H](C)CBr PH007998 [1,1,0,0,0,0|1,0,0]=3 125 B9R0.46 CCCCOCC(O)CCl R345563 [1,1,0,0,0,0|1,0,0]=3 126 B9R0.46 CCCCOCC(O)CO PH010017 [1,1,0,0,0,0|1,0,0]=3 127 B11R0.2 CCCCCCC(=O)CC(C)C S350567 [0,2,0,0,0,0|1,0,1]=4 128 B11R0.4 CCCCCCCC(=O)CCC CDS001481 [0,2,0,0,0,0|1,0,0]=3 129 B11R0.81 CCCCCCC(C)NCCO CDS003690 [0,2,0,0,0,0|2,0,0]=4 130 B11R0.155 CCCCCC(=O)C(C)CCC S504874 [0,2,0,0,0,0|1,0,0]=3 131 B11R0.176 CCCC(=O)OCCCC(=O)C R396044 [0,2,0,0,0,0|0,0,2]=4 132 B11R0.30 CC(C)CCSSCCC(C)C S570559 [0,2,0,0,0,0|1,1,0]=4 133 B11R0.40 CCCCCCCCC(O)C#N PH007041 [0,2,0,0,0,0|1,0,1]=4 134 B11R0.40 CCCCCCCCC([NH3+])CO L498629 [0,2,0,0,0,0|1,0,0]=3 135 B11R0.42 CCCCCCCC(=O)C(C)C S561193 [0,2,0,0,0,0|1,0,1]=4 136 B11R0.148 CCCCCC#CCCC(=O)C S884901 [0,2,0,0,0,0|1,0,1]=4 137 B11R0.148 CCCCCCCCC=C(C)C T293466 [0,2,0,0,0,0|1,0,1]=4 138 B11R0.148 CCCCCCCCCC(=N)N PH012191 [0,2,0,0,0,0|1,0,1]=4 139 B11R0.148 CCCCCCCCCC(=O)N S549878 [0,2,0,0,0,0|1,0,1]=4 140 B11R0.148 CCCCCCCCCC(C)Br S452572 [0,2,0,0,0,0|1,0,0]=3 141 B11R0.148 CCCCCCCCCC(C)N S540293 [0,2,0,0,0,0|1,0,0]=3 142 B11R0.148 CCCCOCCOCC(=O)O CDS000206 [0,2,0,0,0,0|1,0,1]=4 143 B11R0.3 CC/C=C/CCCCCCCC PH003558 [0,2,0,0,0,0|1,0,0]=3 144 B11R0.3 CCCCCCCCC#CCBr PH009442 [0,2,0,0,0,0|1,0,1]=4 145 B11R0.3 CCCCCCCCCCC#N R750212 [0,2,0,0,0,0|1,0,0]=3 146 B11R0.3 CCCCCCCCCCSC S540161 [0,2,0,0,0,0|1,0,0]=3 147 B11R0.3 CCCCCCCCCC[Hg]Cl S572586 [0,2,0,0,0,0|1,0,0]=3 148 B11R0.3 CCCCCCCCCSCC S547158 [0,2,0,0,0,0|1,0,0]=3 149 B11R0.3 CCCCCCCCNCCN PH000414 [0,2,0,0,0,0|1,0,0]=3 150 B11R0.3 CCCCCCCCNCCN S235881 [0,2,0,0,0,0|1,0,0]=3 151 B11R0.3 CCCCCCCCNCCS PH012947 [0,2,0,0,0,0|1,0,0]=3 152 B11R0.3 CCCCCSSCCCCC CDS000577 [0,2,0,0,0,0|0,1,0]=3 153 B11R0.3 CCCSCCCCSCCC S347868 [0,2,0,0,0,0|1,0,0]=3 154 B11R0.3 COCCCCCCCCOC S344400 [0,2,0,0,0,0|1,0,0]=3 155 B11R0.140 CCCCC[Sn](=O)CCCCC S395854 [0,2,0,0,0,0|1,0,0]=3 156 B11R0.140 CCCCNC(=O)NCCCC S546577 [0,2,0,0,0,0|1,0,1]=4 157 B9R1.5 O[C@@H]1CCCCC[C@H]1O S435201 [1,0,0,1,0,0|2,0,0]=4 158 B9R1.8 BrCCC1CCCCN1 CBR00714 [1,0,0,1,0,0|2,0,0]=4 159 B9R1.8 CCCC1COCCN1 CBR00294 [1,0,0,1,0,0|1,0,0]=3 160 B9R1.8 CCCC1NCCCS1 T149691 [1,0,0,1,0,0|1,1,0]=4 161 B9R1.8 CCOC1CCCCO1 S359033 [1,0,0,1,0,0|1,0,0]=3 162 B9R1.8 CCOC1CCNCC1 CBR01194 [1,0,0,1,0,0|2,0,0]=4 163 B9R1.8 CNCC1CCCCO1 CDS005693 [1,0,0,1,0,0|1,0,0]=3 164 B9R1.8 CNCC1CCOCC1 CDS009689 [1,0,0,1,0,0|2,0,0]=4 165 B9R1.8 COCC1CCCCN1 CDS005671 [1,0,0,1,0,0|2,0,0]=4 166 B9R1.8 ClCCN1CCCCC1 PH010519 [1,0,0,1,0,0|2,0,0]=4 167 B9R1.8 N1CCC(CC1)CCC S409944 [1,0,0,1,0,0|1,0,0]=3 168 B9R1.8 NCCC1CCCCC1 CDS013643 [1,0,0,1,0,0|1,0,0]=3 169 B9R1.8 NCCC1CCCOC1 CDS009278 [1,0,0,1,0,0|1,0,0]=3 170 B9R1.8 NCCC1CCOCC1 CDS006180 [1,0,0,1,0,0|2,0,0]=4 171 B9R1.8 OCCC1CCCCO1 T177393 [1,0,0,1,0,0|1,0,0]=3 172 B9R1.8 OCCC1CNCCO1 CDS009186 [1,0,0,1,0,0|2,0,0]=4 173 B9R1.12 CCCCC1OCCO1 T330108 [1,0,0,1,0,0|1,0,0]=3 174 B9R1.12 CCCNC1CCCC1 CBR00869 [1,0,0,1,0,0|1,0,0]=3 175 B9R1.12 NCCCC1CCCC1 CBR01730 [1,0,0,1,0,0|1,0,0]=3 176 B9R1.12 NCCCC1CCOC1 T325317 [1,0,0,1,0,0|2,0,0]=4 177 B9R1.12 NCCCN1CCCC1 CDS003189 [1,0,0,1,0,0|2,0,0]=4 178 B9R1.12 O=CCCC1CCCC1 CDS023037 [1,0,0,1,0,0|1,0,1]=4 179 B9R1.12 OCCCC1OCCO1 T290653 [1,0,0,1,0,0|2,0,0]=4 180 B9R1.14 CCN1CCCC1CCl CBR01539 [1,0,0,1,0,0|2,0,0]=4 181 B9R1.14 CCN1CCC[C@H]1CO CBR02172 [1,0,0,1,0,0|2,0,0]=4 182 B9R1.15 CC[C@@H]1CNCCN1C PH018883 [1,0,0,1,0,0|2,0,0]=4 183 B9R1.15 CN1CCCCC1CBr CBR01705 [1,0,0,1,0,0|2,0,0]=4 184 B9R1.15 CN1CCCCC1CCl CBR00922 [1,0,0,1,0,0|2,0,0]=4 185 B9R1.15 CN[C@@H]1CCCC[C@H]1O BBO000382 [1,0,0,1,0,0|2,0,0]=4 186 B9R1.15 NC[C@@H]1CCCC[C@@H]1N BBO000355 [1,0,0,1,0,0|2,0,0]=4 187 B9R1.15 NC[C@@H]1CCCC[C@H]1N BBO000357 [1,0,0,1,0,0|2,0,0]=4 188 B9R1.15 NC[C@H]1CCCC[C@H]1O BBO000725 [1,0,0,1,0,0|2,0,0]=4 189 B9R1.15 NC[C@H]1CCCC[C@H]1O CDS006535 [1,0,0,1,0,0|2,0,0]=4 190 B9R1.33 CC1CCCN1CCO PH015834 [1,0,0,1,0,0|2,0,0]=4 191 B9R1.33 CCO[C@H]1COC[C@@H]1N CBR02385 [1,0,0,1,0,0|2,0,0]=4 192 B9R1.50 BrC1CCCCCCC1 PH011377 [1,0,0,1,0,0|1,0,0]=3 193 B9R1.50 OC1CCCCCOC1 T168815 [1,0,0,1,0,0|1,0,0]=3 194 B9R1.89 CCC1CCCNCC1 CBR01788 [1,0,0,1,0,0|1,0,0]=3 195 B9R1.89 CCN1CCCNCC1 CBR02337 [1,0,0,1,0,0|2,0,0]=4 196 B9R1.89 CNC1CCCCCC1 CBR00882 [1,0,0,1,0,0|1,0,0]=3 197 B9R1.89 O=CC1CCCCCC1 PH015086 [1,0,0,1,0,0|1,0,1]=4 198 B9R1.89 OCC1CNCCCO1 CDS020100 [1,0,0,1,0,0|2,0,0]=4 199 B9R1.89 OCC1CNCCOC1 PH019466 [1,0,0,1,0,0|2,0,0]=4 200 B11R1.4 CCCCOCC1CCCO1 S866369 [0,1,0,1,0,0|0,0,0]=2 201 B11R1.4 N#CCCCCN1CCCC1 S431273 [0,1,0,1,0,0|1,0,1]=4 202 B11R1.16 CCCC(C)C1NCCCS1 T149705 [0,1,0,1,0,0|1,1,0]=4 203 B11R1.16 CCCC(C)N1CCNCC1 CDS004840 [0,1,0,1,0,0|2,0,0]=4 204 B11R1.16 CCCC(O)C1CCCCC1 S447005 [0,1,0,1,0,0|1,0,0]=3 205 B11R1.16 NC(CCO)C1CCCCC1 BBO000388 [0,1,0,1,0,0|2,0,0]=4 206 B11R1.16 NC(CCO)C1CCCCC1 BBO000750 [0,1,0,1,0,0|2,0,0]=4 207 B11R1.26 OCC1CCCCCCC1O T232882 [0,1,0,1,0,0|2,0,0]=4 208 B11R1.101 O=C1CCCCCCCCN1 S929964 [0,1,0,1,0,0|1,0,1]=4 209 B11R1.101 OC1CCCC=CCCCC1 S931985 [0,1,0,1,0,0|1,0,1]=4 210 B11R1.117 C(=O)OC1CCCCOCC1 T185612 [0,1,0,1,0,0|1,0,1]=4 211 B11R1.117 NCCC1CCCCCCC1 CBR01321 [0,1,0,1,0,0|1,0,0]=3 212 B11R1.180 CCCCCC1CCCC1=O S148938 [0,1,0,1,0,0|1,0,1]=4 213 B11R1.53 CCC1CNCCN1C(C)C CBR01100 [0,1,0,1,0,0|2,0,0]=4 214 B11R1.86 CC(C)C[C@H]1CCCC[C@H]1N PH018572 [0,1,0,1,0,0|2,0,0]=4 215 B11R1.86 CC(O)CN1CCCCC1C PH015080 [0,1,0,1,0,0|2,0,0]=4 216 B11R1.91 CC(=O)CCN1CCCCC1 S429961 [0,1,0,1,0,0|1,0,1]=4 217 B11R1.91 CC(=O)OCC1CCCCO1 S364959 [0,1,0,1,0,0|1,0,1]=4 218 B11R1.91 CC(N)CCN1CCOCC1 CBR01728 [0,1,0,1,0,0|2,0,0]=4 219 B11R1.91 CC(O)CNC1CCCCC1 PH010876 [0,1,0,1,0,0|2,0,0]=4 220 B11R1.91 CC(O)CNC1CCCCC1 S509108 [0,1,0,1,0,0|2,0,0]=4 221 B11R1.91 CN(C)CCC1CCCCN1 CBR00696 [0,1,0,1,0,0|2,0,0]=4 222 B11R1.543 CC1(CCCCCCCC1)O T211540 [0,1,0,1,0,0|1,0,0]=3 223 B11R1.706 CN(C)C1CCCCCOC1 T164747 [0,1,0,1,0,0|1,0,0]=3 224 B11R1.706 CN(C)C1CCCCNCC1 T300047 [0,1,0,1,0,0|2,0,0]=4 225 B11R1.742 CC(O)CN1CCCCCC1 S350524 [0,1,0,1,0,0|2,0,0]=4 226 B11R1.5 C(=O)O[C@@H]1CCOCC[C@H]1C T177296 [0,1,0,1,0,0|1,0,1]=4 227 B11R1.17 CC1CCCCN1CCCO S353426 [0,1,0,1,0,0|2,0,0]=4 228 B11R1.17 CCCCC1CCCCC1O S359122 [0,1,0,1,0,0|1,0,0]=3 229 B11R1.17 COCCC1CCCCN1C PH000449 [0,1,0,1,0,0|2,0,0]=4 230 B11R1.28 C=CCCOC1CCCCO1 T241415 [0,1,0,1,0,0|0,0,2]=4 231 B11R1.28 CCCCCC1CCCCC1 S431664 [0,1,0,1,0,0|1,0,0]=3 232 B11R1.28 CCCCCN1CCNCC1 CDS004779 [0,1,0,1,0,0|1,0,0]=3 233 B11R1.28 CCNCCN1CCCCC1 CBR02321 [0,1,0,1,0,0|1,0,0]=3 234 B11R1.28 CCNCCN1CCOCC1 CBR01294 [0,1,0,1,0,0|2,0,0]=4 235 B11R1.28 CNCCCC1CCCCC1 PH010303 [0,1,0,1,0,0|1,0,0]=3 236 B11R1.28 CNCCCN1CCOCC1 CBR02299 [0,1,0,1,0,0|2,0,0]=4 237 B11R1.28 COCCCC1CCCCN1 CBR01367 [0,1,0,1,0,0|1,0,0]=3 238 B11R1.28 COCCCC1CCCNC1 CBR01297 [0,1,0,1,0,0|2,0,0]=4 239 B11R1.28 N#CCCCC1CCCCC1 S432636 [0,1,0,1,0,0|1,0,1]=4 240 B11R1.28 N#CCCCN1CCCCC1 S354856 [0,1,0,1,0,0|1,0,1]=4 241 B11R1.28 NCCCCN1CCCCC1 PH002408 [0,1,0,1,0,0|1,0,0]=3 242 B11R1.28 NCCOCC1CCCCC1 CDS020939 [0,1,0,1,0,0|2,0,0]=4 243 B11R1.28 NNCCCC1CCCCC1 PH019011 [0,1,0,1,0,0|2,0,0]=4 244 B11R1.28 OCCCCN1CCNCC1 CBR00630 [0,1,0,1,0,0|2,0,0]=4 245 B11R1.28 OCCCCN1CCNCC1 PH019353 [0,1,0,1,0,0|2,0,0]=4 246 B11R1.28 SCCNCC1CCCCC1 PH012943 [0,1,0,1,0,0|2,0,0]=4 247 B11R1.51 [C@@H]1(CCCCC[C@H]1CO)CO T192716 [0,1,0,1,0,0|2,0,0]=4 248 B11R1.92 C1CCCCCCCCCC1 T330035 [0,1,0,1,0,0|1,0,0]=3 249 B11R1.203 CCCCC1CCCCCN1 PH015579 [0,1,0,1,0,0|1,0,0]=3 250 B11R1.203 CNCCN1CCCCCC1 PH017966 [0,1,0,1,0,0|2,0,0]=4 251 B11R1.203 NCCCN1CCCCCC1 PH005125 [0,1,0,1,0,0|2,0,0]=4 252 B11R1.203 OCCCN1CCCCCC1 CBR00469 [0,1,0,1,0,0|2,0,0]=4 253 B11R1.1 CC1CCN(CC1)CCCN CDS001621 [0,1,0,1,0,0|2,0,0]=4 254 B11R1.1 CCCCN1CCC(CC1)C S647756 [0,1,0,1,0,0|1,0,0]=3 255 B11R1.1 CNCCN1CCC(CC1)C CBR00050 [0,1,0,1,0,0|2,0,0]=4 256 B11R1.1 NCCCN1CCC(CC1)O CBR01360 [0,1,0,1,0,0|2,0,0]=4 257 B11R1.40 CC(CCl)CN1CCCCC1 PH014097 [0,1,0,1,0,0|2,0,0]=4 258 B11R1.40 CC(CN)CN1CCCCC1 PH010487 [0,1,0,1,0,0|2,0,0]=4 259 B11R1.40 CCC(N)CN1CCCCC1 CDS001860 [0,1,0,1,0,0|1,0,0]=3 260 B11R1.54 CCC1CCCCC1(O)CC S346012 [0,1,0,1,0,0|1,0,0]=3 261 B11R1.29 CN(CCCN)C1CCCC1 PH014419 [0,1,0,1,0,0|2,0,0]=4 262 B11R1.605 C=C1CCCC(C1CCO)C S884537 [0,1,0,1,0,0|2,0,0]=4 263 B11R1.756 CCCCCC1(CCCC1)O S412457 [0,1,0,1,0,0|1,0,0]=3 264 B11R1.900 CCCCC1(CCCCC1)O S406953 [0,1,0,1,0,0|1,0,0]=3 265 B11R2.20 C1CCC2CCCN=C2C1 PH001359 [0,0,0,2,0,0|1,0,1]=4 266 B11R2.20 C1CCC2OCCNC2C1 CDS019792 [0,0,0,2,0,0|1,0,0]=3 267 B11R2.20 C1CCC2OCOCC2C1 S699276 [0,0,0,2,0,0|1,0,0]=3 268 B11R2.20 C1CCN2CCNCC2C1 T165344 [0,0,0,2,0,0|2,0,0]=4 269 B11R2.20 C1CC[C@H]2NCCN[C@@H]2C1 PH008015 [0,0,0,2,0,0|2,0,0]=4 270 B11R2.48 CN1C[C@@H]2CC[C@H]1CNC2 CBR01819 [0,0,0,2,0,0|2,0,0]=4 271 B11R2.106 CC1NCCN2C1CCC2 CBR01507 [0,0,0,2,0,0|2,0,0]=4 272 B11R2.106 [C@@H]12CCC[C@H]([C@@H]1CCC2)O T167320 [0,0,0,2,0,0|2,0,0]=4 273 B11R2.248 OCCC1CC2CCC1C2 S455563 [0,0,0,2,0,0|2,0,0]=4 274 B11R2.357 IC1CCC2CCCC1O2 T173398 [0,0,0,2,0,0|1,0,0]=3 275 B11R2.402 [C@@H]12CCCC[C@@]1(COC2)C T232947 [0,0,0,2,0,0|2,0,0]=4 276 B11R2.36 OC1CCC2CCCC2C1 S350508 [0,0,0,2,0,0|2,0,0]=4 277 B11R2.36 [C@@H]12CCC[C@@H]1CN(CC2)C T167525 [0,0,0,2,0,0|2,0,0]=4 278 B11R2.232 CO[C@@H]1[C@H]2CC[C@@H]1CNC2 CBR02425 [0,0,0,2,0,0|2,0,0]=4 279 B11R2.513 [C@H]12CCCCCC([C@H]1C2)C T179787 [0,0,0,2,0,0|1,0,0]=3 280 B11R2.239 C1CC(C1)N2CCNCC2 CDS022254 [0,0,0,2,0,0|2,0,0]=4 281 B11R2.239 C1CCN(CC1)C2CNC2 CBR02366 [0,0,0,2,0,0|2,0,0]=4 282 B11R2.135 [C@H]12CCCCC(C[C@H]1C2)O T179930 [0,0,0,2,0,0|2,0,0]=4 283 B11R2.111 [C@@H]12CCC(CCC[C@@H]1C2)C T179817 [0,0,0,2,0,0|1,0,0]=3 284 B6R0.6 CCCCCSC S357952 [3,0,0,0,0,0|0,1,0]=4 285 B6R0.6 CCCNCCC R580155 [3,0,0,0,0,0|1,0,0]=4 286 B8R0.1 CCCC(O)CCCO S838322 [2,1,0,0,0,0|1,0,0]=4 287 B8R0.1 CCCCC(=O)CCC S456489 [2,1,0,0,0,0|0,0,1]=4 288 B8R0.6 CCCCSC(C)CC S570613 [2,1,0,0,0,0|0,1,0]=4 289 B8R0.6 CCOCCC(O)CC S347981 [2,1,0,0,0,0|0,0,0]=3 290 B8R0.7 CC(C)CCCCCN CDS001505 [2,1,0,0,0,0|1,0,0]=4 291 B8R0.7 CCCCCCC(C)C S430935 [2,1,0,0,0,0|0,0,0]=3 292 B8R0.7 CCCCCCC(C)Cl S564516 [2,1,0,0,0,0|0,0,0]=3 293 B8R0.7 CCCCSCC(C)C S570567 [2,1,0,0,0,0|0,1,0]=4 294 B10R0.6 CCCCCC(C)NC(C)C PH013772 [1,2,0,0,0,0|1,0,0]=4 295 B10R0.6 CCCCCC(O)CC(C)C S417432 [1,2,0,0,0,0|0,0,0]=3 296 B10R0.55 CC[C@H](O)CCCCC(=O)C T263230 [1,2,0,0,0,0|0,0,1]=4 297 B10R0.75 CCCCCCC(=O)C(C)C S350575 [1,2,0,0,0,0|0,0,1]=4 298 B10R0.75 CCCCCCC(C)N(C)C S336998 [1,2,0,0,0,0|1,0,0]=4 299 B10R0.75 CCCCCCC(O)C(C)C S417424 [1,2,0,0,0,0|0,0,0]=3 300 B10R0.97 CC(C)CCNCCC(C)C PH012262 [1,2,0,0,0,0|1,0,0]=4 301 B10R0.97 CC(C)CCNCCC(C)C PH015267 [1,2,0,0,0,0|1,0,0]=4 302 B10R0.97 CC(C)CCSCCC(C)C S570478 [1,2,0,0,0,0|0,1,0]=4 303 B10R0.83 CCCCCC(O)C(C)CC S417440 [1,2,0,0,0,0|0,0,0]=3 304 B10R0.156 CCCCCC(C)(O)CCC S417459 [1,2,0,0,0,0|0,0,0]=3 305 B10R0.116 CCCCP(=O)([Na])CCCC R466778 [1,2,0,0,0,0|1,0,0]=4 306 B10R0.116 CCCC[Pb](Cl)(Cl)CCCC PH003363 [1,2,0,0,0,0|1,0,0]=4 307 B10R0.116 CCCC[Sn](F)(F)CCCC S503592 [1,2,0,0,0,0|1,0,0]=4 308 B10R0.41 CCC(CC)COCCCN S392073 [1,2,0,0,0,0|1,0,0]=4 309 B12R0.4 CCCCCCCC(=O)CC(C)C S350397 [0,3,0,0,0,0|1,0,0]=4 310 B12R0.4 CCCCCCCC(=O)CC(C)C S879290 [0,3,0,0,0,0|1,0,0]=4 311 B12R0.1 CCCCOCCOC(=O)CCC PH008717 [0,3,0,0,0,0|0,0,0]=3 312 B12R0.206 CCCCCCCC(C)NCCO S540285 [0,3,0,0,0,0|1,0,0]=4 313 B12R0.47 CCCCOCC(=O)OCCCC S540676 [0,3,0,0,0,0|0,0,0]=3 314 B12R0.47 CCCCOCC(O)CNCCN PH007014 [0,3,0,0,0,0|0,0,0]=3 315 B12R0.111 CCCCC(CC)COCCCN S392103 [0,3,0,0,0,0|1,0,0]=4 316 B12R0.248 CCCCCCCCCC(=O)CC CDS000235 [0,3,0,0,0,0|1,0,0]=4 317 B12R0.248 CCCCCCCCCC([NH3+])CO L498637 [0,3,0,0,0,0|1,0,0]=4 318 B12R0.248 OCCCCCCCCC(O)CO CDS000271 [0,3,0,0,0,0|1,0,0]=4 319 B12R0.251 CCCCCCCCC(=O)C(C)C S866784 [0,3,0,0,0,0|1,0,0]=4 320 B12R0.234 CCCCCCCCCCC(=N)N PH012196 [0,3,0,0,0,0|1,0,0]=4 321 B12R0.234 CCCCCCCCCOC(=O)C S364258 [0,3,0,0,0,0|1,0,0]=4 322 B12R0.5 CCCCCCCCCCCCN S825913 [0,3,0,0,0,0|1,0,0]=4 323 B12R0.5 CCCCCCCCCCCCN S825956 [0,3,0,0,0,0|1,0,0]=4 324 B12R0.5 CCCCCCCCCCCCN S826987 [0,3,0,0,0,0|1,0,0]=4 325 B12R0.5 CCCCCCCCCCSC#N S345245 [0,3,0,0,0,0|1,0,0]=4 326 B12R0.5 CCCCCCCCCCSCC S546925 [0,3,0,0,0,0|1,0,0]=4 327 B12R0.5 CCCCCCCCNCCCN PH000443 [0,3,0,0,0,0|1,0,0]=4 328 B12R0.5 CCCCCCCCSCCC#N S236233 [0,3,0,0,0,0|1,0,0]=4 329 B12R0.5 CCCCCCNCCCCCC S563226 [0,3,0,0,0,0|1,0,0]=4 330 B12R0.5 CCCCOCCOCCSC#N S359076 [0,3,0,0,0,0|0,0,1]=4 331 B12R0.5 ICCCCCCCCCCCI S764493 [0,3,0,0,0,0|1,0,0]=4 332 B12R0.5 N#CCCCCOCCCCC#N S705462 [0,3,0,0,0,0|0,0,1]=4 333 B12R0.5 NCCCCCCCCCCCN CDS000080 [0,3,0,0,0,0|1,0,0]=4 334 B12R0.5 NCCOCCOCCOCCO CDS020855 [0,3,0,0,0,0|1,0,0]=4 335 B12R0.634 CCCCCS(=O)(=O)CCCCC PH011615 [0,3,0,0,0,0|0,1,0]=4 336 B12R0.634 CCCCOP(=S)(Cl)OCCCC S564699 [0,3,0,0,0,0|1,0,0]=4 337 B12R0.216 CCCCC(CC)CCC(O)CC S392065 [0,3,0,0,0,0|1,0,0]=4 338 B8R1.2 BrCC1CCOCC1 CDS013754 [2,0,0,1,0,0|1,0,0]=4 339 B8R1.2 CCC1CNCCO1 CDS009046 [2,0,0,1,0,0|1,0,0]=4 340 B8R1.2 CNC1CCOCC1 CDS001741 [2,0,0,1,0,0|1,0,0]=4 341 B8R1.2 NCC1CCCCO1 CDS006458 [2,0,0,1,0,0|1,0,0]=4 342 B8R1.2 NCC1CCCCO1 CDS006719 [2,0,0,1,0,0|1,0,0]=4 343 B8R1.2 NCC1CCOCC1 CDS003651 [2,0,0,1,0,0|1,0,0]=4 344 B8R1.2 OCC1CCCOC1 CDS015486 [2,0,0,1,0,0|1,0,0]=4 345 B8R1.2 SCC1CCCCC1 CDS020661 [2,0,0,1,0,0|1,0,0]=4 346 B8R1.8 CCCC1OCCO1 S364665 [2,0,0,1,0,0|1,0,0]=4 347 B8R1.8 CCNC1CCCC1 CBR00868 [2,0,0,1,0,0|1,0,0]=4 348 B8R1.8 CCOC1CCNC1 CDS023169 [2,0,0,1,0,0|1,0,0]=4 349 B8R1.8 CNCC1CCOC1 CBR01975 [2,0,0,1,0,0|1,0,0]=4 350 B8R1.8 NCCC1CCCC1 CDS008185 [2,0,0,1,0,0|1,0,0]=4 351 B8R1.8 NCCC1CCCC1 T175072 [2,0,0,1,0,0|1,0,0]=4 352 B8R1.22 CC1CCCCCO1 T168866 [2,0,0,1,0,0|0,0,0]=3 353 B8R1.22 OC1CCCCCO1 S866032 [2,0,0,1,0,0|1,0,0]=4 354 B10R1.10 CCCC1CCCC(=O)O1 CDS001273 [1,1,0,1,0,0|0,0,1]=4 355 B10R1.18 CC(=O)CC1CCCCC1 CDS001548 [1,1,0,1,0,0|0,0,1]=4 356 B10R1.18 CC(C)CC1CCCCC1 S564869 [1,1,0,1,0,0|0,0,0]=3 357 B10R1.18 CC(C)CC1COCCN1 CBR00867 [1,1,0,1,0,0|1,0,0]=4 358 B10R1.18 CC(C)OC1CCCCO1 T332879 [1,1,0,1,0,0|1,0,0]=4 359 B10R1.18 CC(O)CN1CCCCC1 S418854 [1,1,0,1,0,0|1,0,0]=4 360 B10R1.38 C[C@@]1(CCCC[C@H]1CN)O BBO000381 [1,1,0,1,0,0|1,0,0]=4 361 B10R1.61 CC(O)C1CCCCC1O S362417 [1,1,0,1,0,0|1,0,0]=4 362 B10R1.64 CC(C)C[C@H]1CCC[C@H]1N PH018575 [1,1,0,1,0,0|1,0,0]=4 363 B10R1.216 CCCCC1(CCCC1)O S411876 [1,1,0,1,0,0|0,0,0]=3 364 B10R1.216 CNCCC1(CCCC1)O CBR00411 [1,1,0,1,0,0|1,0,0]=4 365 B10R1.1 CCCN1CCC(CC1)C S647748 [1,1,0,1,0,0|1,0,0]=4 366 B10R1.1 CCCN1CCC(CC1)N CDS003686 [1,1,0,1,0,0|1,0,0]=4 367 B10R1.1 CCCN1CCC(CC1)O CDS023463 [1,1,0,1,0,0|1,0,0]=4 368 B10R1.15 CC(CO)C1CCCCC1 PH015232 [1,1,0,1,0,0|1,0,0]=4 369 B10R1.15 CCC(O)C1CCCCC1 PH000035 [1,1,0,1,0,0|0,0,0]=3 370 B10R1.15 CCC(O)C1CCNCC1 CBR00138 [1,1,0,1,0,0|1,0,0]=4 371 B10R1.15 CNC(C)C1CCCCC1 PH013058 [1,1,0,1,0,0|1,0,0]=4 372 B10R1.172 CCC1CCCC(N1)CC PH013114 [1,1,0,1,0,0|0,0,0]=3 373 B10R2.244 OC1CCOCC2C1C2 T177660 [1,0,0,2,0,0|1,0,0]=4 374 B10R2.6 C1CCC(OC1)C2CC2 T166251 [1,0,0,2,0,0|0,0,0]=3 375 B10R2.7 C1CC2NCCOC2C1 CDS019575 [1,0,0,2,0,0|1,0,0]=4 376 B10R2.7 C1CCC2CCCC2C1 S457272 [1,0,0,2,0,0|0,0,0]=3 377 B10R2.7 C1CCC2NCCC2C1 CDS003552 [1,0,0,2,0,0|1,0,0]=4 378 B10R2.7 C1CC[C@@H]2CCC[C@@H]2C1 R289825 [1,0,0,2,0,0|0,0,0]=3 379 B10R2.7 C1CC[C@H]2CCCC2C1 R289841 [1,0,0,2,0,0|0,0,0]=3 380 B10R2.62 OC1CC2CCC1CC2 PH008493 [1,0,0,2,0,0|1,0,0]=4 381 B10R2.408 C1C[C@@H]2CNC[C@H](C1)C2 PH019131 [1,0,0,2,0,0|1,0,0]=4 382 B10R2.32 [C@@H]12CCC[C@@H]1[C@@H](CC2)O T262935 [1,0,0,2,0,0|1,0,0]=4 383 B10R2.32 [C@H]12CCC[C@H]1[C@H](CC2)O T292788 [1,0,0,2,0,0|1,0,0]=4 384 B10R2.99 CCC1CC2CCC1C2 R289833 [1,0,0,2,0,0|0,0,0]=3 385 B10R2.483 C1CCC2(C1)OCCO2 S947520 [1,0,0,2,0,0|1,0,0]=4 386 B10R2.270 [C@H]12CCOCC[C@H]1[C@@H]2Br T177504 [1,0,0,2,0,0|1,0,0]=4 387 B12R1.107 CC(C)CC(O)C1CCCCC1 S877131 [0,2,0,1,0,0|1,0,0]=4 388 B12R1.1392 CC(=O)OC1CCCCCOC1 T165980 [0,2,0,1,0,0|0,0,1]=4 389 B12R1.1392 CC(=O)OC1CCCCOCC1 T177261 [0,2,0,1,0,0|0,0,1]=4 390 B12R1.32 COCC(O)CN1CCCCC1 PH013634 [0,2,0,1,0,0|1,0,0]=4 391 B12R1.8 C(=O)OCCCC1CCCCO1 T177490 [0,2,0,1,0,0|0,0,1]=4 392 B12R1.8 CCCCCCC1CCCCC1 S415766 [0,2,0,1,0,0|1,0,0]=4 393 B12R1.8 CCCCCCC1CCNCC1 PH013358 [0,2,0,1,0,0|1,0,0]=4 394 B12R1.8 CCCCSCN1CCCCC1 S506508 [0,2,0,1,0,0|0,1,0]=4 395 B12R1.8 CNCCCCN1CCOCC1 PH014364 [0,2,0,1,0,0|1,0,0]=4 396 B12R1.8 COCCCOC1CCCNC1 PH015375 [0,2,0,1,0,0|0,0,0]=3 397 B12R1.8 COCCOCC1CCCNC1 PH016188 [0,2,0,1,0,0|1,0,0]=4 398 B12R1.8 COCCOCC1CCNCC1 PH014362 [0,2,0,1,0,0|1,0,0]=4 399 B12R1.8 ClCCCCOC1CCCCO1 PH000153 [0,2,0,1,0,0|0,0,0]=3 400 B12R1.8 N#CCCCCN1CCCCC1 S449776 [0,2,0,1,0,0|1,0,0]=4 401 B12R1.8 N#CCCCOC1CCCCO1 PH008808 [0,2,0,1,0,0|0,0,1]=4 402 B12R1.8 NCCCCCN1CCCCC1 OTV000941 [0,2,0,1,0,0|1,0,0]=4 403 B12R1.8 NCCCCCN1CCOCC1 CBR00637 [0,2,0,1,0,0|1,0,0]=4 404 B12R1.8 OCCCCOC1CCCCO1 T244813 [0,2,0,1,0,0|0,0,0]=3 405 B12R1.30 CCCCC(O)C1CCCCC1 S876666 [0,2,0,1,0,0|1,0,0]=4 406 B12R1.329 CCCCB1OCCNCCO1 R823899 [0,2,0,1,0,0|1,0,0]=4 407 B12R1.329 SCCNC1CCCCCCC1 PH012912 [0,2,0,1,0,0|1,0,0]=4 408 B12R1.1778 O[C@@]1(CCCC[C@@H]1C)CCCO T248355 [0,2,0,1,0,0|1,0,0]=4 409 B12R1.1778 [18OH][C@@]1(CCCC[C@@H]1C)CCCO T244422 [0,2,0,1,0,0|1,0,0]=4 410 B12R1.1778 [18OH][C@]1(CCCC[C@@H]1C)CCCO T244376 [0,2,0,1,0,0|1,0,0]=4 411 B12R1.1778 [18OH][C@]1(CCCC[C@@H]1C)CCCO T244481 [0,2,0,1,0,0|1,0,0]=4 412 B12R1.150 O=C1CCCCCCCCC1O S116742 [0,2,0,1,0,0|1,0,0]=4 413 B12R1.410 CCC1CCCCCCCCC1 T168122 [0,2,0,1,0,0|1,0,0]=4 414 B12R1.255 CC(O)CCCCC1CCCO1 R397423 [0,2,0,1,0,0|1,0,0]=4 415 B12R1.978 CC1(CCCCC(=O)CCC1)C T191582 [0,2,0,1,0,0|1,0,0]=4 416 B12R1.528 CCCCOC1CCS(=O)(=O)C1 S556718 [0,2,0,1,0,0|1,0,0]=4 417 B12R1.252 CC(=O)OCCC1CCCCO1 T177571 [0,2,0,1,0,0|0,0,1]=4 418 B12R1.405 CCN1CCCNCC1C(C)C PH015757 [0,2,0,1,0,0|1,0,0]=4 419 B12R1.405 CCN1CCCNCC1C(C)C PH019478 [0,2,0,1,0,0|1,0,0]=4 420 B12R1.2230 C[N+](C)(C)C1CCCCCOC1 T165085 [0,2,0,1,0,0|1,0,0]=4 421 B12R1.121 CCC1CCCCN1CCCN PH015340 [0,2,0,1,0,0|1,0,0]=4 422 B12R1.169 CCCC1CCCCC1OCC T183857 [0,2,0,1,0,0|1,0,0]=4 423 B12R1.550 C1CCCCCCCCCCC1 S436402 [0,2,0,1,0,0|1,0,0]=4 424 B12R1.1414 CNCCCN1CCCCCC1 PH014363 [0,2,0,1,0,0|1,0,0]=4 425 B12R1.1414 NCCCCN1CCCCCC1 CBR02326 [0,2,0,1,0,0|1,0,0]=4 426 B12R1.71 CCCCN1CCC(CC1)CO T141518 [0,2,0,1,0,0|1,0,0]=4 427 B12R2.2 C1CCC(CC1)C2CCCN2 PH009878 [0,1,0,2,0,0|1,0,0]=4 428 B12R2.2 C1CCC(CC1)C2CCNC2 CBR01922 [0,1,0,2,0,0|1,0,0]=4 429 B12R2.2 C1CCN(CC1)C2CCNC2 CBR01717 [0,1,0,2,0,0|1,0,0]=4 430 B12R2.2383 C1CC(CN1)COCC2CC2 PH018314 [0,1,0,2,0,0|0,0,0]=3 431 B12R2.8 CN1CCOC12CCCCC2 PH001120 [0,1,0,2,0,0|1,0,0]=4 432 B12R2.1081 CC1CCN=C2C1CCCC2 PH001361 [0,1,0,2,0,0|1,0,0]=4 433 B12R2.1081 OC1CCNC2C1CCCC2 T318434 [0,1,0,2,0,0|1,0,0]=4 434 B12R2.24 CC1CCC2CCCCC2N1 PH014078 [0,1,0,2,0,0|1,0,0]=4 435 B12R2.2102 Br[Hg][C@@H]1CCC2CCCC1O2 T173614 [0,1,0,2,0,0|1,0,0]=4 436 B12R2.2102 I[Hg]C1CCC2CCCC1O2 T173231 [0,1,0,2,0,0|1,0,0]=4 437 B12R2.2102 I[Hg][C@@H]1CCC2CCCC1O2 T173622 [0,1,0,2,0,0|1,0,0]=4 438 B12R2.2016 C1CCCCC2OC2CCC1 S765066 [0,1,0,2,0,0|0,0,0]=3 439 B12R2.2412 C12CCCCC1(CCCC2)O T185485 [0,1,0,2,0,0|1,0,0]=4 440 B12R2.1019 [C@H]12CCC[C@H](CNC1)CN2C CBR02423 [0,1,0,2,0,0|1,0,0]=4 441 B12R2.44 CC[C@@H]1CN2CCC[C@@H]2CN1 PH016148 [0,1,0,2,0,0|1,0,0]=4 442 B12R2.44 CC[C@@H]1CN2CCC[C@H]2CN1 PH018884 [0,1,0,2,0,0|1,0,0]=4 443 B12R2.96 [C@H]1(CCC[C@@]12OCCC2Br)O T260207 [0,1,0,2,0,0|1,0,0]=4 444 B12R2.324 OC[C@@H]1CCCN1CC2CC2 CBR02173 [0,1,0,2,0,0|1,0,0]=4 445 B12R2.2404 C[N+]1(C2CCCC1COC2)C T164771 [0,1,0,2,0,0|1,0,0]=4 446 B12R2.5205 ClC1(C2C1OCCCCC2)Cl T281530 [0,1,0,2,0,0|1,0,0]=4 447 B12R2.5205 [C@H]12CCOCCC[C@H]1C2(Cl)Cl T177466 [0,1,0,2,0,0|1,0,0]=4 448 B12R2.41 C1CCC2CNCCN2CC1 PH016216 [0,1,0,2,0,0|1,0,0]=4 449 B12R2.4370 C1CCC2(CC1)CCCNC2 CDS002157 [0,1,0,2,0,0|1,0,0]=4 450 B12R2.2318 BrC1CCC2OC2CCC1Br T170747 [0,1,0,2,0,0|1,0,0]=4 451 B12R2.94 NC1(CC1)CN2CCCCC2 CBR00666 [0,1,0,2,0,0|1,0,0]=4 452 B12R3.3030 C1CC2CC3CCC2(C1)C3 T204307 [0,0,0,3,0,0|1,0,0]=4 453 B12R3.1603 C1CC2CCC3C2C1CC3 T172332 [0,0,0,3,0,0|1,0,0]=4 454 B12R3.1654 [C@@H]12CCCCC3CC3[C@@H]1C2 T208779 [0,0,0,3,0,0|1,0,0]=4 455 B12R3.3528 C1CCC2(CC2)C3(C1)CC3 T213640 [0,0,0,3,0,0|1,0,0]=4 456 B12R3.1780 C1CC2CC2CCC3C1C3 T166626 [0,0,0,3,0,0|1,0,0]=4