0 B9R0.45 C(=C/CCCC=C)\CC=C S434698 [0,0,0,0,0,0|1,0,3]=4 1 B9R0.45 C(=C/CCCCO)\CCI T166057 [0,0,0,0,0,0|2,0,0]=2 2 B9R0.45 C(=C\CCCCO)\CCI T166065 [0,0,0,0,0,0|2,0,0]=2 3 B9R0.45 CCC#CCCOCCO S722189 [0,0,0,0,0,0|1,0,3]=4 4 B9R0.45 CCCCCCC#CCBr PH009441 [0,0,0,0,0,0|1,0,3]=4 5 B9R0.45 CCCCCCCCNC CDS003222 [0,0,0,0,0,0|2,0,2]=4 6 B9R0.45 CCCCCCCCON PH014161 [0,0,0,0,0,0|2,0,2]=4 7 B9R0.45 CCCCCCCC[Hg]Cl S572551 [0,0,0,0,0,0|2,0,2]=4 8 B9R0.45 CCCCCCOCC#N S240370 [0,0,0,0,0,0|2,0,2]=4 9 B9R0.45 CCCCCCSCCO S362344 [0,0,0,0,0,0|1,0,1]=2 10 B9R0.45 CCCCCNCCC#N PH011475 [0,0,0,0,0,0|2,0,2]=4 11 B9R0.45 CCCCCNCCCC OTV000733 [0,0,0,0,0,0|2,0,1]=3 12 B9R0.45 CCCCNCCCCO PH011467 [0,0,0,0,0,0|1,0,2]=3 13 B9R0.45 CCCSCCSCCC S347841 [0,0,0,0,0,0|3,0,1]=4 14 B8R0.4 C#CCCCCCCO SYX00205 [1,0,0,0,0,0|0,0,3]=4 15 B8R0.4 C(=C/CCCCCO)\C T264652 [1,0,0,0,0,0|0,0,3]=4 16 B8R0.4 C(=C/CCCO)\CCI T166286 [1,0,0,0,0,0|2,0,0]=3 17 B8R0.4 C(=C\CCCO)\CCI T166227 [1,0,0,0,0,0|2,0,0]=3 18 B8R0.4 CC#CCCCCCO T264709 [1,0,0,0,0,0|0,0,3]=4 19 B8R0.4 CCCCCCCSC S570729 [1,0,0,0,0,0|1,0,2]=4 20 B8R0.4 CCCCCCC[Hg]Cl S572500 [1,0,0,0,0,0|2,0,1]=4 21 B8R0.4 CCCCCSCCO S357928 [1,0,0,0,0,0|1,0,0]=2 22 B8R0.4 CCCCNCCCC S367869 [1,0,0,0,0,0|1,0,2]=4 23 B8R0.4 CCCCNCCCC S503894 [1,0,0,0,0,0|1,0,2]=4 24 B8R0.4 CCCCNCCCC S566152 [1,0,0,0,0,0|1,0,2]=4 25 B8R0.4 CCNCCCCCO PH007898 [1,0,0,0,0,0|1,0,1]=3 26 B8R0.4 COCCCNCCO OTV000453 [1,0,0,0,0,0|2,0,0]=3 27 B8R0.4 CSCCCCCCO S931667 [1,0,0,0,0,0|1,0,1]=3 28 B8R0.4 OCCCNCCCO PH010217 [1,0,0,0,0,0|2,0,1]=4 29 B8R0.4 [NH2+](CCCC)CCCC S348880 [1,0,0,0,0,0|1,0,2]=4 30 B10R0.1 CC#CCC/C=C(/C)\CCO S317535 [0,1,0,0,0,0|0,0,2]=3 31 B10R0.1 CCCCCOC(=O)CC#N S549703 [0,1,0,0,0,0|2,0,1]=4 32 B10R0.4 CC(C)CCCCCCCO PH008704 [0,1,0,0,0,0|0,0,2]=3 33 B10R0.4 CC(O)COCCOCCO S346039 [0,1,0,0,0,0|2,0,1]=4 34 B10R0.4 CCCCC/C=C/CC(=O)O CDS000243 [0,1,0,0,0,0|0,0,1]=2 35 B10R0.4 CCCCCCCCC(C)N T151068 [0,1,0,0,0,0|1,0,2]=4 36 B10R0.71 C#CCCCCCCCCC CDS001229 [0,1,0,0,0,0|1,0,2]=4 37 B10R0.71 C=CCC/C=C\CCCCO S310573 [0,1,0,0,0,0|2,0,0]=3 38 B10R0.71 CCCCCCCCCCF S570354 [0,1,0,0,0,0|1,0,2]=4 39 B10R0.71 CCCCCCCCSCC S570656 [0,1,0,0,0,0|1,0,2]=4 40 B10R0.71 CCCCCCCSCCO S362220 [0,1,0,0,0,0|0,0,2]=3 41 B10R0.71 CCCCCCNCCCC OTV000454 [0,1,0,0,0,0|1,0,2]=4 42 B10R0.71 CCCCCCOCCCN S392022 [0,1,0,0,0,0|1,0,2]=4 43 B10R0.71 CCCCCNCCCCC S503770 [0,1,0,0,0,0|1,0,2]=4 44 B10R0.71 COCCCCCCCCN PH012543 [0,1,0,0,0,0|1,0,2]=4 45 B10R0.71 ICCCCCCCCCI S764507 [0,1,0,0,0,0|1,0,2]=4 46 B10R0.71 NCCCOCCOCCO PH002424 [0,1,0,0,0,0|2,0,1]=4 47 B10R0.71 [NH2+](CCCCl)CCCCCC R738158 [0,1,0,0,0,0|1,0,2]=4 48 B10R0.74 CCCCCCCC(O)CC CDS001495 [0,1,0,0,0,0|1,0,2]=4 49 B10R0.91 CCCCNC(=O)OCCI PH005343 [0,1,0,0,0,0|3,0,0]=4 50 B10R0.91 CCCCOC(=O)CCCN T160474 [0,1,0,0,0,0|2,0,1]=4 51 B10R0.91 COCOC/C(=C/CCBr)/C T235520 [0,1,0,0,0,0|3,0,0]=4 52 B10R1.4 CC1CCCCN1CCN PH015207 [0,0,0,1,0,0|2,0,1]=4 53 B10R1.4 CCCC1CCCCC1O S365769 [0,0,0,1,0,0|0,0,2]=3 54 B10R1.7 O[C@H]1C=CCCCC[C@@H]1O T287253 [0,0,0,1,0,0|1,0,2]=4 55 B10R1.17 BrCCCC1CCCCC1 S345016 [0,0,0,1,0,0|1,0,2]=4 56 B10R1.17 CCCCC1NCCCS1 T149721 [0,0,0,1,0,0|1,1,1]=4 57 B10R1.17 CCCNC1CCCCC1 CDS008806 [0,0,0,1,0,0|2,0,1]=4 58 B10R1.17 CCNCC1CCCCO1 CBR00835 [0,0,0,1,0,0|1,0,2]=4 59 B10R1.17 CCNCC1CNCCO1 CDS015778 [0,0,0,1,0,0|2,0,1]=4 60 B10R1.17 CCON=C1CCCCC1 S648353 [0,0,0,1,0,0|3,0,0]=4 61 B10R1.17 COCCC1CNCCO1 CBR00148 [0,0,0,1,0,0|2,0,1]=4 62 B10R1.17 ClCCCC1CCCCC1 R426857 [0,0,0,1,0,0|1,0,2]=4 63 B10R1.17 OCCCC1CCCCN1 CBR01786 [0,0,0,1,0,0|1,0,2]=4 64 B10R1.17 OCCCC1CCCNC1 CBR00005 [0,0,0,1,0,0|1,0,2]=4 65 B10R1.17 OCCNC1CCCCC1 T308269 [0,0,0,1,0,0|1,0,1]=3 66 B10R1.20 [C@@H]1(CC=CC[C@H]1CO)CO T183148 [0,0,0,1,0,0|1,0,2]=4 67 B10R1.21 BrCCCCC1OCCO1 CDS000118 [0,0,0,1,0,0|2,0,1]=4 68 B10R1.21 CCCCCC1=NCCS1 PH008239 [0,0,0,1,0,0|1,1,0]=3 69 B10R1.21 NCCCOC1CCCC1 CBR01499 [0,0,0,1,0,0|2,0,1]=4 70 B10R1.78 CC1CCCCCCCC1 T187364 [0,0,0,1,0,0|1,0,2]=4 71 B10R1.85 ClCCN1CCCCCC1 CDS001460 [0,0,0,1,0,0|2,0,1]=4 72 B10R1.85 NCCC1CCCCCC1 CBR01497 [0,0,0,1,0,0|1,0,2]=4 73 B10R1.85 OCCN1CCCCCC1 S362328 [0,0,0,1,0,0|1,0,1]=3 74 B10R1.185 C1=CCCCCCCCC1 S462977 [0,0,0,1,0,0|1,0,0]=2 75 B7R0.1 C/C=C\CCCCO S310700 [2,0,0,0,0,0|1,0,0]=3 76 B7R0.1 C=CCCCCCO S303445 [2,0,0,0,0,0|0,0,2]=4 77 B7R0.1 CCCCCC[Hg]Cl S572519 [2,0,0,0,0,0|2,0,0]=4 78 B7R0.1 CCCCSCCC S367192 [2,0,0,0,0,0|1,0,1]=4 79 B7R0.1 CCCCSCCO S527408 [2,0,0,0,0,0|1,0,0]=3 80 B7R0.1 CCCOCCCN CDS000217 [2,0,0,0,0,0|2,0,0]=4 81 B7R0.1 CCSCCSCC S347876 [2,0,0,0,0,0|2,0,0]=4 82 B7R0.1 CNCCCCCO PH007838 [2,0,0,0,0,0|1,0,0]=3 83 B7R0.1 CNCCNCCO S522449 [2,0,0,0,0,0|2,0,0]=4 84 B7R0.1 COCC/C=C/CCl S359556 [2,0,0,0,0,0|2,0,0]=4 85 B7R0.1 COCCCCCO PH003271 [2,0,0,0,0,0|1,0,0]=3 86 B7R0.1 COCCSCCO PH010752 [2,0,0,0,0,0|2,0,0]=4 87 B7R0.1 NCCCNCCO S446831 [2,0,0,0,0,0|2,0,0]=4 88 B7R0.1 NCCNCCCO CDS000635 [2,0,0,0,0,0|2,0,0]=4 89 B7R0.1 OCCCNCCO S408409 [2,0,0,0,0,0|2,0,0]=4 90 B9R0.2 CCCC/C=C/CC(=O)O CDS000466 [1,1,0,0,0,0|0,0,1]=3 91 B9R0.2 CCCCCCCC(C)Br S438758 [1,1,0,0,0,0|0,0,2]=4 92 B9R0.5 C(=C(\C)/COCOC)\CO T271403 [1,1,0,0,0,0|2,0,0]=4 93 B9R0.5 CCCCC/C(=C/C#N)/C PH007331 [1,1,0,0,0,0|1,0,1]=4 94 B9R0.5 CCCCC/C(=C/CO)/I S326747 [1,1,0,0,0,0|0,0,0]=2 95 B9R0.5 CCCCCC(=O)CCC S411825 [1,1,0,0,0,0|0,0,1]=3 96 B9R0.5 CCCCCC(C)CCC S431648 [1,1,0,0,0,0|0,0,2]=4 97 B9R0.5 CCCCCC(C)CCN PH007332 [1,1,0,0,0,0|1,0,1]=4 98 B9R0.5 CCCCNC(=O)CCC EME00389 [1,1,0,0,0,0|1,0,1]=4 99 B9R0.5 CCCCNC(=O)NCC S802077 [1,1,0,0,0,0|2,0,0]=4 100 B9R0.5 CCCCNC(=O)OCC S406988 [1,1,0,0,0,0|2,0,0]=4 101 B9R0.5 CCOC(=O)CCCCI S677175 [1,1,0,0,0,0|2,0,0]=4 102 B9R0.5 CCOC(=O)CCCCN CDS023812 [1,1,0,0,0,0|2,0,0]=4 103 B9R0.18 O=C(CCCO)NCCO PH008175 [1,1,0,0,0,0|2,0,0]=4 104 B9R0.46 CCCCCC/C(=N/O)/C S648302 [1,1,0,0,0,0|1,0,1]=4 105 B9R0.46 CCCCCC[C@@H](C)CBr PH007998 [1,1,0,0,0,0|1,0,1]=4 106 B9R0.46 CCCCCNC(=O)CCl S627690 [1,1,0,0,0,0|2,0,0]=4 107 B9R0.46 CCCCOCC(O)CO PH010017 [1,1,0,0,0,0|1,0,1]=4 108 B11R0.2 CCCCCCC(=O)CC(C)C S350567 [0,2,0,0,0,0|1,0,1]=4 109 B11R0.4 CCCCCCCC(=O)CCC CDS001481 [0,2,0,0,0,0|1,0,1]=4 110 B11R0.81 CCCCCCC(C)NCCO CDS003690 [0,2,0,0,0,0|0,0,2]=4 111 B11R0.81 O=C(CCCCCO)NCCO PH009131 [0,2,0,0,0,0|1,0,0]=3 112 B11R0.155 CCCCCC(=O)C(C)CCC S504874 [0,2,0,0,0,0|1,0,1]=4 113 B11R0.40 CCCCCCCCC(O)C#N PH007041 [0,2,0,0,0,0|0,0,2]=4 114 B11R0.40 CCCCCCCCC([NH3+])CO L498629 [0,2,0,0,0,0|0,0,2]=4 115 B11R0.46 CCCCCC(=O)CCC(=O)O T330051 [0,2,0,0,0,0|0,0,2]=4 116 B11R0.148 CCCCCC/C=C/CC(=O)O CDS000299 [0,2,0,0,0,0|0,0,1]=3 117 B11R0.3 C=CCCC/C=C/CCCCO S303453 [0,2,0,0,0,0|0,0,2]=4 118 B11R0.3 COCCCCCCCCOC S344400 [0,2,0,0,0,0|0,0,2]=4 119 B9R1.5 O[C@@H]1CCCCC[C@H]1O S435201 [1,0,0,1,0,0|1,0,1]=4 120 B9R1.8 CCCC1COCCN1 CBR00294 [1,0,0,1,0,0|2,0,0]=4 121 B9R1.8 CCOC1CCCCO1 S359033 [1,0,0,1,0,0|1,0,1]=4 122 B9R1.8 CNCC1CCCCO1 CDS005693 [1,0,0,1,0,0|1,0,1]=4 123 B9R1.8 ClCCN1CCCCC1 PH010519 [1,0,0,1,0,0|2,0,0]=4 124 B9R1.8 N1CCC(CC1)CCC S409944 [1,0,0,1,0,0|1,0,1]=4 125 B9R1.8 NCCC1CCCCC1 CDS013643 [1,0,0,1,0,0|1,0,1]=4 126 B9R1.8 OCCC1CCCCO1 T177393 [1,0,0,1,0,0|1,0,1]=4 127 B9R1.8 OCCC1CNCCO1 CDS009186 [1,0,0,1,0,0|2,0,0]=4 128 B9R1.12 CCCCC1=CC=CO1 CDS001204 [1,0,0,1,0,0|0,0,2]=4 129 B9R1.12 CCCCC1=NCCS1 PH008233 [1,0,0,1,0,0|1,1,0]=4 130 B9R1.12 CCCCC1OCCO1 T330108 [1,0,0,1,0,0|1,0,0]=3 131 B9R1.12 CCCNC1CCCC1 CBR00869 [1,0,0,1,0,0|1,0,1]=4 132 B9R1.12 N#C/C=C/C1CCCC1 ADE001298 [1,0,0,1,0,0|1,0,1]=4 133 B9R1.12 NCCCC1CCCC1 CBR01730 [1,0,0,1,0,0|1,0,1]=4 134 B9R1.12 OCCCC1OCCO1 T290653 [1,0,0,1,0,0|2,0,0]=4 135 B9R1.14 CCN1CCC[C@H]1CO CBR02172 [1,0,0,1,0,0|1,0,1]=4 136 B9R1.15 CC\1CCCC/C1=N\O PH001354 [1,0,0,1,0,0|1,0,1]=4 137 B9R1.15 CN[C@@H]1CCCC[C@H]1O BBO000382 [1,0,0,1,0,0|1,0,1]=4 138 B9R1.15 NC[C@@H]1CC=CC[C@@H]1N BBO000356 [1,0,0,1,0,0|2,0,0]=4 139 B9R1.15 NC[C@H]1CCCC[C@H]1O BBO000725 [1,0,0,1,0,0|1,0,1]=4 140 B9R1.15 NC[C@H]1CCCC[C@H]1O CDS006535 [1,0,0,1,0,0|1,0,1]=4 141 B9R1.15 N[C@@H]1CC=CC[C@@H]1CO BBO000374 [1,0,0,1,0,0|2,0,0]=4 142 B9R1.15 N[C@@H]1CC=CC[C@H]1CO BBO000375 [1,0,0,1,0,0|2,0,0]=4 143 B9R1.15 OC[C@H]1CCNC[C@H]1O CBR01689 [1,0,0,1,0,0|2,0,0]=4 144 B9R1.33 CC1CCCN1CCO PH015834 [1,0,0,1,0,0|1,0,0]=3 145 B9R1.50 BrC1CCCCCCC1 PH011377 [1,0,0,1,0,0|1,0,1]=4 146 B9R1.50 OC1CC=CCCOC1 T168807 [1,0,0,1,0,0|1,0,0]=3 147 B9R1.50 OC1CCCCCOC1 T168815 [1,0,0,1,0,0|1,0,0]=3 148 B9R1.83 C(=C/C1CC1)\CCOC T183911 [1,0,0,1,0,0|2,0,0]=4 149 B9R1.89 CCC1CCCNCC1 CBR01788 [1,0,0,1,0,0|1,0,1]=4 150 B9R1.89 OCC1CNCCCO1 CDS020100 [1,0,0,1,0,0|2,0,0]=4 151 B11R1.4 CCCCOCC1CCCO1 S866369 [0,1,0,1,0,0|0,0,2]=4 152 B11R1.16 NC(CCO)C1CCCCC1 BBO000388 [0,1,0,1,0,0|0,0,2]=4 153 B11R1.16 NC(CCO)C1CCCCC1 BBO000750 [0,1,0,1,0,0|0,0,2]=4 154 B11R1.26 OCC1CCCCCCC1O T232882 [0,1,0,1,0,0|0,0,2]=4 155 B11R1.101 O=C1C=CCCCCCCC1 T231835 [0,1,0,1,0,0|1,0,1]=4 156 B11R1.101 O=C1CCC=CCCCCC1 S939781 [0,1,0,1,0,0|0,0,1]=3 157 B11R1.101 O=C1CCCCCCCCN1 S929964 [0,1,0,1,0,0|2,0,0]=4 158 B11R1.101 OC1CCCC=CCCCC1 S931985 [0,1,0,1,0,0|1,0,0]=3 159 B11R1.117 N#CCC1=CCCCCCC1 T181617 [0,1,0,1,0,0|1,0,1]=4 160 B11R1.180 CCCCCC1CCCC1=O S148938 [0,1,0,1,0,0|1,0,1]=4 161 B11R1.86 CC(O)CN1CCCCC1C PH015080 [0,1,0,1,0,0|1,0,1]=4 162 B11R1.91 CC(O)CNC1CCCCC1 PH010876 [0,1,0,1,0,0|1,0,1]=4 163 B11R1.91 CC(O)CNC1CCCCC1 S509108 [0,1,0,1,0,0|1,0,1]=4 164 B11R1.543 CC1(CCCCCCCC1)O T211540 [0,1,0,1,0,0|0,0,2]=4 165 B11R1.706 CN(C)C1CCC=CCCC1 S946567 [0,1,0,1,0,0|2,0,0]=4 166 B11R1.742 CC(O)CN1CCCCCC1 S350524 [0,1,0,1,0,0|1,0,1]=4 167 B11R1.17 CC1CCCCN1CCCO S353426 [0,1,0,1,0,0|0,0,2]=4 168 B11R1.17 CCCCC1CCCCC1O S359122 [0,1,0,1,0,0|0,0,2]=4 169 B11R1.18 CCCCN1N=CC=C1CO BBO000534 [0,1,0,1,0,0|1,0,1]=4 170 B11R1.51 [C@@H]1(CCCCC[C@H]1CO)CO T192716 [0,1,0,1,0,0|0,0,2]=4 171 B11R1.203 OCCCN1CCCCCC1 CBR00469 [0,1,0,1,0,0|0,0,2]=4 172 B11R1.605 C=C1CCCC(C1CCO)C S884537 [0,1,0,1,0,0|0,0,1]=3 173 B11R2.10 O=C1CC2CC=CC[C@@H]2O1 S330272 [0,0,0,2,0,0|1,0,1]=4 174 B11R2.10 OC1CC2CCCCN2C1 CDS024575 [0,0,0,2,0,0|1,0,1]=4 175 B11R2.20 C1CCC2CCCN=C2C1 PH001359 [0,0,0,2,0,0|2,0,0]=4 176 B11R2.20 C1CCC2OCCNC2C1 CDS019792 [0,0,0,2,0,0|1,0,1]=4 177 B11R2.106 [C@@H]12CCC[C@H]([C@@H]1CCC2)O T167320 [0,0,0,2,0,0|0,0,2]=4 178 B11R2.248 OCCC1CC2CCC1C2 S455563 [0,0,0,2,0,0|0,0,2]=4 179 B11R2.248 OCCN1CC2CCC1C2 CBR01377 [0,0,0,2,0,0|1,0,1]=4 180 B11R2.36 OC1CCC2CCCC2C1 S350508 [0,0,0,2,0,0|0,0,2]=4 181 B11R2.61 O=C1CC=C2CCC2CC1 T181900 [0,0,0,2,0,0|0,0,2]=4 182 B11R2.135 [C@H]12CCCCC(C[C@H]1C2)O T179930 [0,0,0,2,0,0|0,0,2]=4 183 B11R2.111 [C@H]1(C=CC2CC2CCC1)O T200212 [0,0,0,2,0,0|0,0,2]=4