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|1,0,2]=3 2 B9R0.45 C(=C\CCCCO)\CCI T166065 [0,0,0,0,0,0|1,0,2]=3 3 B9R0.45 CCC#CCCOCCO S722189 [0,0,0,0,0,0|1,0,2]=3 4 B9R0.45 CCCCCCC#CCBr PH009441 [0,0,0,0,0,0|1,0,2]=3 5 B9R0.45 CCCCCCCCNC CDS003222 [0,0,0,0,0,0|2,0,0]=2 6 B9R0.45 CCCCCCCCON PH014161 [0,0,0,0,0,0|2,0,0]=2 7 B9R0.45 CCCCCCCC[Hg]Cl S572551 [0,0,0,0,0,0|2,0,0]=2 8 B9R0.45 CCCCCCCN=C=S PH011071 [0,0,0,0,0,0|1,1,1]=3 9 B9R0.45 CCCCCCOCC#N S240370 [0,0,0,0,0,0|2,0,1]=3 10 B9R0.45 CCCCCCSCCO S362344 [0,0,0,0,0,0|1,0,0]=1 11 B9R0.45 CCCCCNCCC#N PH011475 [0,0,0,0,0,0|2,0,1]=3 12 B9R0.45 CCCCCNCCCC OTV000733 [0,0,0,0,0,0|2,0,0]=2 13 B9R0.45 CCCCNCCCCO PH011467 [0,0,0,0,0,0|1,0,0]=1 14 B9R0.45 CCCSCCSCCC S347841 [0,0,0,0,0,0|3,0,0]=3 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 B9R0.45 N#CCCCCCCC=O PH008272 [0,0,0,0,0,0|1,0,3]=4 18 B8R0.4 C#CCCCCCCO SYX00205 [1,0,0,0,0,0|0,0,2]=3 19 B8R0.4 C(=C/CCCCCO)\C T264652 [1,0,0,0,0,0|0,0,2]=3 20 B8R0.4 C(=C/CCCO)\CCI T166286 [1,0,0,0,0,0|1,0,2]=4 21 B8R0.4 C(=C\CCCO)\CCI T166227 [1,0,0,0,0,0|1,0,2]=4 22 B8R0.4 CC#CCCCCCO T264709 [1,0,0,0,0,0|0,0,2]=3 23 B8R0.4 CCCCCCCSC S570729 [1,0,0,0,0,0|1,0,0]=2 24 B8R0.4 CCCCCCC[Hg]Cl S572500 [1,0,0,0,0,0|2,0,0]=3 25 B8R0.4 CCCCCSCCO S357928 [1,0,0,0,0,0|1,0,0]=2 26 B8R0.4 CCCCNCCC#N S399493 [1,0,0,0,0,0|2,0,1]=4 27 B8R0.4 CCCCNCCCC S367869 [1,0,0,0,0,0|1,0,0]=2 28 B8R0.4 CCCCNCCCC S503894 [1,0,0,0,0,0|1,0,0]=2 29 B8R0.4 CCCCNCCCC S566152 [1,0,0,0,0,0|1,0,0]=2 30 B8R0.4 CCCSSSCCC CDS017270 [1,0,0,0,0,0|3,0,0]=4 31 B8R0.4 CCNCCCCCO PH007898 [1,0,0,0,0,0|1,0,0]=2 32 B8R0.4 COCCCNCCO OTV000453 [1,0,0,0,0,0|2,0,0]=3 33 B8R0.4 CSCCCCCCO S931667 [1,0,0,0,0,0|1,0,0]=2 34 B8R0.4 CSCCCCCSC S375896 [1,0,0,0,0,0|2,0,0]=3 35 B8R0.4 NCCCOCCCN PH000107 [1,0,0,0,0,0|3,0,0]=4 36 B8R0.4 OCCCNCCCO PH010217 [1,0,0,0,0,0|2,0,0]=3 37 B8R0.4 [NH2+](CCCC)CCCC S348880 [1,0,0,0,0,0|1,0,0]=2 38 B10R0.1 CCCCCC[C@@H](C)N=C=O CDS001056 [0,1,0,0,0,0|1,0,2]=4 39 B10R0.4 C=COCCCCCC(C)C S399728 [0,1,0,0,0,0|2,0,1]=4 40 B10R0.4 CC(=CCCCCCCBr)C S793051 [0,1,0,0,0,0|1,0,2]=4 41 B10R0.4 CC(C)CCCCCCCO PH008704 [0,1,0,0,0,0|0,0,0]=1 42 B10R0.4 CC(O)COCCOCCO S346039 [0,1,0,0,0,0|2,0,0]=3 43 B10R0.4 CCCCC/C=C/CC(=O)O CDS000243 [0,1,0,0,0,0|0,0,3]=4 44 B10R0.4 CCCCCCC#CC(=O)O S354023 [0,1,0,0,0,0|0,0,3]=4 45 B10R0.4 CCCCCCCCC(=N)N PH012190 [0,1,0,0,0,0|1,0,1]=3 46 B10R0.4 CCCCCCCCC(=O)N S595268 [0,1,0,0,0,0|0,0,2]=3 47 B10R0.4 CCCCCCCCC(C)N T151068 [0,1,0,0,0,0|1,0,0]=2 48 B10R0.4 CCCCCCCC[N+](=O)[O-] S917680 [0,1,0,0,0,0|1,0,1]=3 49 B10R0.4 CCCCCCCNC(=O)C R704377 [0,1,0,0,0,0|1,0,2]=4 50 B10R0.4 CCCCCCCNC(=O)N S516643 [0,1,0,0,0,0|1,0,2]=4 51 B10R0.71 C#CCCCCCCCCC CDS001229 [0,1,0,0,0,0|1,0,0]=2 52 B10R0.71 C=CCC/C=C\CCCCO S310573 [0,1,0,0,0,0|0,0,3]=4 53 B10R0.71 CCCCCCCCCCF S570354 [0,1,0,0,0,0|1,0,0]=2 54 B10R0.71 CCCCCCCCN=C=S CDS013725 [0,1,0,0,0,0|0,1,1]=3 55 B10R0.71 CCCCCCCCSCC S570656 [0,1,0,0,0,0|1,0,0]=2 56 B10R0.71 CCCCCCCSCCO S362220 [0,1,0,0,0,0|0,0,0]=1 57 B10R0.71 CCCCCCNCCCC OTV000454 [0,1,0,0,0,0|1,0,0]=2 58 B10R0.71 CCCCCCOCCCN S392022 [0,1,0,0,0,0|1,0,0]=2 59 B10R0.71 CCCCCNCCCCC S503770 [0,1,0,0,0,0|1,0,0]=2 60 B10R0.71 CCOCCNCCOCC CDS000629 [0,1,0,0,0,0|3,0,0]=4 61 B10R0.71 COCCCCCCCCN PH012543 [0,1,0,0,0,0|1,0,0]=2 62 B10R0.71 ICCCCCCCCCI S764507 [0,1,0,0,0,0|1,0,0]=2 63 B10R0.71 NCCCOCCOCCO PH002424 [0,1,0,0,0,0|2,0,0]=3 64 B10R0.71 [NH2+](CCCCl)CCCCCC R738158 [0,1,0,0,0,0|1,0,0]=2 65 B10R0.74 CCCCCCCC(=O)CC S544043 [0,1,0,0,0,0|1,0,1]=3 66 B10R0.74 CCCCCCCC(=O)NO CDS000528 [0,1,0,0,0,0|1,0,1]=3 67 B10R0.74 CCCCCCCC(=O)N[O-] S756199 [0,1,0,0,0,0|1,0,2]=4 68 B10R0.74 CCCCCCCC(O)CC CDS001495 [0,1,0,0,0,0|1,0,0]=2 69 B10R0.74 CCCCCCOC(=O)CCl OTV000847 [0,1,0,0,0,0|2,0,1]=4 70 B10R0.91 CCCCOC(=O)CCCN T160474 [0,1,0,0,0,0|2,0,1]=4 71 B10R1.4 CC1CCCCN1CCN PH015207 [0,0,0,1,0,0|2,0,0]=3 72 B10R1.4 CCCC1CCCCC1O S365769 [0,0,0,1,0,0|0,0,0]=1 73 B10R1.4 CN1CCCCC1CCBr CBR00713 [0,0,0,1,0,0|2,0,0]=3 74 B10R1.4 CNCC1CCCCN1C CBR00038 [0,0,0,1,0,0|3,0,0]=4 75 B10R1.7 BrC1CCCCCCC1Br S39072 [0,0,0,1,0,0|2,0,0]=3 76 B10R1.7 BrC1CCCCCCC1Br S509000 [0,0,0,1,0,0|2,0,0]=3 77 B10R1.7 C=C1CCCCCCC1O T181676 [0,0,0,1,0,0|0,0,2]=3 78 B10R1.7 C=C1CCCCCCC1O T232742 [0,0,0,1,0,0|0,0,2]=3 79 B10R1.7 CC1CCCCCCC1=O S53075 [0,0,0,1,0,0|0,0,2]=3 80 B10R1.7 O[C@H]1C=CCCCC[C@@H]1O T287253 [0,0,0,1,0,0|1,0,2]=4 81 B10R1.17 BrCCCC1CCCCC1 S345016 [0,0,0,1,0,0|1,0,0]=2 82 B10R1.17 C#CCNC1CCCCC1 CDS018913 [0,0,0,1,0,0|2,0,1]=4 83 B10R1.17 CCCCC1NCCCS1 T149721 [0,0,0,1,0,0|1,1,0]=3 84 B10R1.17 CCCCN1CCOCC1 S551961 [0,0,0,1,0,0|3,0,0]=4 85 B10R1.17 CCCNC1CCCCC1 CDS008806 [0,0,0,1,0,0|2,0,0]=3 86 B10R1.17 CCNCC1CCCCO1 CBR00835 [0,0,0,1,0,0|1,0,0]=2 87 B10R1.17 CCNCC1CNCCO1 CDS015778 [0,0,0,1,0,0|2,0,0]=3 88 B10R1.17 COCCC1CCCCN1 CBR00752 [0,0,0,1,0,0|2,0,0]=3 89 B10R1.17 COCCC1CNCCO1 CBR00148 [0,0,0,1,0,0|2,0,0]=3 90 B10R1.17 ClCCCC1CCCCC1 R426857 [0,0,0,1,0,0|1,0,0]=2 91 B10R1.17 N#CCCC1CCCCC1 PH010247 [0,0,0,1,0,0|1,0,1]=3 92 B10R1.17 N#CCCN1CCCCC1 PH016680 [0,0,0,1,0,0|2,0,1]=4 93 B10R1.17 O=CCCC1CCCCC1 CDS019184 [0,0,0,1,0,0|0,0,2]=3 94 B10R1.17 OCCCC1CCCCN1 CBR01786 [0,0,0,1,0,0|1,0,0]=2 95 B10R1.17 OCCCC1CCCNC1 CBR00005 [0,0,0,1,0,0|1,0,0]=2 96 B10R1.17 OCCCC1SCCCS1 T292559 [0,0,0,1,0,0|2,0,0]=3 97 B10R1.17 OCCNC1CCCCC1 T308269 [0,0,0,1,0,0|1,0,0]=2 98 B10R1.17 [C-]#[N+]CCN1CCCCC1 PH015020 [0,0,0,1,0,0|3,0,0]=4 99 B10R1.19 CCC1CNCCCN1C PH019473 [0,0,0,1,0,0|3,0,0]=4 100 B10R1.20 COC1CCCCC1[Hg]Cl S987832 [0,0,0,1,0,0|3,0,0]=4 101 B10R1.20 [C@@H]1(CC=CC[C@H]1CO)CO T183148 [0,0,0,1,0,0|1,0,2]=4 102 B10R1.21 BrCCCCC1OCCO1 CDS000118 [0,0,0,1,0,0|2,0,0]=3 103 B10R1.21 CCCCCC1=NCCS1 PH008239 [0,0,0,1,0,0|1,1,1]=4 104 B10R1.21 CCNCCN1CCCC1 CBR00390 [0,0,0,1,0,0|3,0,0]=4 105 B10R1.21 NCCCCN1CCCC1 PH010578 [0,0,0,1,0,0|2,0,0]=3 106 B10R1.21 NCCCOC1CCCC1 CBR01499 [0,0,0,1,0,0|2,0,0]=3 107 B10R1.21 S=C=NCCC1CCCC1 PH014423 [0,0,0,1,0,0|1,1,1]=4 108 B10R1.29 CCCCN1CCCC1=O S434221 [0,0,0,1,0,0|1,0,2]=4 109 B10R1.78 CC1CCCCCCCC1 T187364 [0,0,0,1,0,0|1,0,0]=2 110 B10R1.85 CCCN1CCCNCC1 PH014388 [0,0,0,1,0,0|3,0,0]=4 111 B10R1.85 CCNC1CCCCCC1 CBR00395 [0,0,0,1,0,0|2,0,0]=3 112 B10R1.85 ClCCN1CCCCCC1 CDS001460 [0,0,0,1,0,0|2,0,0]=3 113 B10R1.85 N#CCN1CCCCCC1 S369071 [0,0,0,1,0,0|2,0,1]=4 114 B10R1.85 NCCC1CCCCCC1 CBR01497 [0,0,0,1,0,0|1,0,0]=2 115 B10R1.85 OCCN1CCCCCC1 S362328 [0,0,0,1,0,0|1,0,0]=2 116 B10R1.185 C1=CCCCCCCCC1 S462977 [0,0,0,1,0,0|1,0,1]=3 117 B7R0.1 C/C=C\CCCCO S310700 [2,0,0,0,0,0|0,0,2]=4 118 B7R0.1 C=CCCCCCO S303445 [2,0,0,0,0,0|0,0,2]=4 119 B7R0.1 CCCCCC[Hg]Cl S572519 [2,0,0,0,0,0|2,0,0]=4 120 B7R0.1 CCCCSCCC S367192 [2,0,0,0,0,0|1,0,0]=3 121 B7R0.1 CCCCSCCO S527408 [2,0,0,0,0,0|1,0,0]=3 122 B7R0.1 CCCOCCCN CDS000217 [2,0,0,0,0,0|2,0,0]=4 123 B7R0.1 CCSCCSCC S347876 [2,0,0,0,0,0|2,0,0]=4 124 B7R0.1 CNCCCCCO PH007838 [2,0,0,0,0,0|1,0,0]=3 125 B7R0.1 CNCCNCCO S522449 [2,0,0,0,0,0|2,0,0]=4 126 B7R0.1 COCCCCCO PH003271 [2,0,0,0,0,0|1,0,0]=3 127 B7R0.1 COCCSCCO PH010752 [2,0,0,0,0,0|2,0,0]=4 128 B7R0.1 NCCCNCCO S446831 [2,0,0,0,0,0|2,0,0]=4 129 B7R0.1 NCCNCCCO CDS000635 [2,0,0,0,0,0|2,0,0]=4 130 B7R0.1 OCCCNCCO S408409 [2,0,0,0,0,0|2,0,0]=4 131 B9R0.2 CCCCCCCC(C)Br S438758 [1,1,0,0,0,0|0,0,0]=2 132 B9R0.2 COCCCCCC(=O)O CBR00492 [1,1,0,0,0,0|1,0,1]=4 133 B9R0.5 C=CCC(O)CCCCC S417475 [1,1,0,0,0,0|0,0,2]=4 134 B9R0.5 CCCCC/C(=C/CO)/I S326747 [1,1,0,0,0,0|0,0,2]=4 135 B9R0.5 CCCCCC(=O)CCC S411825 [1,1,0,0,0,0|0,0,1]=3 136 B9R0.5 CCCCCC(C)CCC S431648 [1,1,0,0,0,0|0,0,0]=2 137 B9R0.5 CCCCCC(C)CCN PH007332 [1,1,0,0,0,0|1,0,0]=3 138 B9R0.5 CCCCNC(=O)CCC EME00389 [1,1,0,0,0,0|1,0,1]=4 139 B9R0.5 CCCCOC(C)OCC S240214 [1,1,0,0,0,0|2,0,0]=4 140 B9R0.18 CCOCC(O)COCC S433292 [1,1,0,0,0,0|2,0,0]=4 141 B9R0.46 CCCCCC/C(=N/O)/C S648302 [1,1,0,0,0,0|1,0,1]=4 142 B9R0.46 CCCCCC[C@@H](C)CBr PH007998 [1,1,0,0,0,0|1,0,0]=3 143 B9R0.46 CCCCOCC(O)CCl R345563 [1,1,0,0,0,0|2,0,0]=4 144 B9R0.46 CCCCOCC(O)CO PH010017 [1,1,0,0,0,0|1,0,0]=3 145 B11R0.2 CCCCCCC(=O)CC(C)C S350567 [0,2,0,0,0,0|1,0,1]=4 146 B11R0.2 CCCCCCC(C)CC(=O)O CDS011550 [0,2,0,0,0,0|0,0,1]=3 147 B11R0.4 CCCCCCCC(=O)CCC CDS001481 [0,2,0,0,0,0|1,0,0]=3 148 B11R0.4 CCCCCCCC(=O)OCCl PH007966 [0,2,0,0,0,0|1,0,1]=4 149 B11R0.4 CCOC(=O)CCCCCCO R174513 [0,2,0,0,0,0|0,0,1]=3 150 B11R0.81 CCCCCCC(C)NCCO CDS003690 [0,2,0,0,0,0|0,0,0]=2 151 B11R0.81 O=C(CCCCCO)NCCO PH009131 [0,2,0,0,0,0|1,0,1]=4 152 B11R0.155 CCCCCC(=O)C(C)CCC S504874 [0,2,0,0,0,0|1,0,1]=4 153 B11R0.40 C=CS(=O)CCCCCCCC R395390 [0,2,0,0,0,0|1,0,1]=4 154 B11R0.40 CCCCCCCCC(O)C#N PH007041 [0,2,0,0,0,0|0,0,0]=2 155 B11R0.40 CCCCCCCCC([NH3+])CO L498629 [0,2,0,0,0,0|0,0,0]=2 156 B11R0.42 CCCCCCCC(=O)C(C)C S561193 [0,2,0,0,0,0|1,0,1]=4 157 B11R0.42 CCCCCCCC(Br)C(=O)O PH002927 [0,2,0,0,0,0|0,0,1]=3 158 B11R0.42 CCCCCCCC(C)C(=O)O S874582 [0,2,0,0,0,0|0,0,1]=3 159 B11R0.46 CCCCCC(=O)CCC(=O)O T330051 [0,2,0,0,0,0|0,0,2]=4 160 B11R0.148 CCCCCC/C=C/CC(=O)O CDS000299 [0,2,0,0,0,0|0,0,2]=4 161 B11R0.148 CCCCCCCCC=C(C)C T293466 [0,2,0,0,0,0|1,0,1]=4 162 B11R0.148 CCCCCCCCCC(=N)N PH012191 [0,2,0,0,0,0|1,0,0]=3 163 B11R0.148 CCCCCCCCCC(=O)N S549878 [0,2,0,0,0,0|0,0,1]=3 164 B11R0.148 CCCCCCCCCC(C)Br S452572 [0,2,0,0,0,0|1,0,0]=3 165 B11R0.148 CCCCCCCCCC(C)N S540293 [0,2,0,0,0,0|1,0,0]=3 166 B11R0.148 CCCCCCCCSC(=N)N S385239 [0,2,0,0,0,0|1,0,1]=4 167 B11R0.148 CCCCOCCOCC(=O)O CDS000206 [0,2,0,0,0,0|1,0,1]=4 168 B11R0.148 O=C(O)CCCCCCCCBr T333328 [0,2,0,0,0,0|0,0,1]=3 169 B11R0.148 O=C(O)CCCCCCCCO CDS018651 [0,2,0,0,0,0|0,0,1]=3 170 B11R0.159 CCCCCCCCS(=O)(=O)N PH010261 [0,2,0,0,0,0|1,0,1]=4 171 B11R0.3 C#CCCCC#CCCCCO S303461 [0,2,0,0,0,0|0,0,2]=4 172 B11R0.3 C=CCCC/C=C/CCCCO S303453 [0,2,0,0,0,0|0,0,2]=4 173 B11R0.3 CC/C=C/CCCCCCCC PH003558 [0,2,0,0,0,0|1,0,0]=3 174 B11R0.3 CCCCCCCCC#CCBr PH009442 [0,2,0,0,0,0|1,0,0]=3 175 B11R0.3 CCCCCCCCCCC#N R750212 [0,2,0,0,0,0|1,0,0]=3 176 B11R0.3 CCCCCCCCCCSC S540161 [0,2,0,0,0,0|0,1,0]=3 177 B11R0.3 CCCCCCCCCC[Hg]Cl S572586 [0,2,0,0,0,0|1,0,0]=3 178 B11R0.3 CCCCCCCCCSCC S547158 [0,2,0,0,0,0|0,1,0]=3 179 B11R0.3 CCCCCCCCNCCN PH000414 [0,2,0,0,0,0|1,0,0]=3 180 B11R0.3 CCCCCCCCNCCN S235881 [0,2,0,0,0,0|1,0,0]=3 181 B11R0.3 CCCCCCCCNCCS PH012947 [0,2,0,0,0,0|0,1,0]=3 182 B11R0.3 CCCCCSSCCCCC CDS000577 [0,2,0,0,0,0|1,0,0]=3 183 B11R0.3 CCCSCCCCSCCC S347868 [0,2,0,0,0,0|1,0,0]=3 184 B11R0.3 COCCCCCCCCOC S344400 [0,2,0,0,0,0|0,0,0]=2 185 B11R0.140 CCCCC[Sn](=O)CCCCC S395854 [0,2,0,0,0,0|1,0,0]=3 186 B11R0.11 OCCCC(O)C(O)CCCO PH009121 [0,2,0,0,0,0|1,0,0]=3 187 B9R1.5 O[C@@H]1CCCCC[C@H]1O S435201 [1,0,0,1,0,0|1,0,0]=3 188 B9R1.8 BrCCC1CCCCN1 CBR00714 [1,0,0,1,0,0|2,0,0]=4 189 B9R1.8 CCCC1COCCN1 CBR00294 [1,0,0,1,0,0|2,0,0]=4 190 B9R1.8 CCCC1NCCCS1 T149691 [1,0,0,1,0,0|1,1,0]=4 191 B9R1.8 CCOC1CCCCO1 S359033 [1,0,0,1,0,0|1,0,0]=3 192 B9R1.8 CCOC1CCNCC1 CBR01194 [1,0,0,1,0,0|2,0,0]=4 193 B9R1.8 CNCC1CCCCO1 CDS005693 [1,0,0,1,0,0|1,0,0]=3 194 B9R1.8 CNCC1CCOCC1 CDS009689 [1,0,0,1,0,0|2,0,0]=4 195 B9R1.8 COCC1CCCCN1 CDS005671 [1,0,0,1,0,0|2,0,0]=4 196 B9R1.8 ClCCN1CCCCC1 PH010519 [1,0,0,1,0,0|2,0,0]=4 197 B9R1.8 N1CCC(CC1)CCC S409944 [1,0,0,1,0,0|1,0,0]=3 198 B9R1.8 NCCC1CCCCC1 CDS013643 [1,0,0,1,0,0|1,0,0]=3 199 B9R1.8 NCCC1CCCOC1 CDS009278 [1,0,0,1,0,0|2,0,0]=4 200 B9R1.8 NCCC1CCOCC1 CDS006180 [1,0,0,1,0,0|2,0,0]=4 201 B9R1.8 OCCC1CCCCO1 T177393 [1,0,0,1,0,0|1,0,0]=3 202 B9R1.8 OCCC1CNCCO1 CDS009186 [1,0,0,1,0,0|2,0,0]=4 203 B9R1.12 CCCCC1OCCO1 T330108 [1,0,0,1,0,0|1,0,0]=3 204 B9R1.12 CCCNC1CCCC1 CBR00869 [1,0,0,1,0,0|1,0,0]=3 205 B9R1.12 NCCCC1CCCC1 CBR01730 [1,0,0,1,0,0|1,0,0]=3 206 B9R1.12 NCCCC1CCOC1 T325317 [1,0,0,1,0,0|2,0,0]=4 207 B9R1.12 NCCCN1CCCC1 CDS003189 [1,0,0,1,0,0|2,0,0]=4 208 B9R1.12 O=CCCC1CCCC1 CDS023037 [1,0,0,1,0,0|0,0,2]=4 209 B9R1.12 OCCCC1OCCO1 T290653 [1,0,0,1,0,0|2,0,0]=4 210 B9R1.14 CCN1CCCC1CCl CBR01539 [1,0,0,1,0,0|2,0,0]=4 211 B9R1.14 CCN1CCC[C@H]1CO CBR02172 [1,0,0,1,0,0|1,0,0]=3 212 B9R1.15 CC[C@@H]1CNCCN1C PH018883 [1,0,0,1,0,0|2,0,0]=4 213 B9R1.15 CC\1CCCC/C1=N\O PH001354 [1,0,0,1,0,0|1,0,1]=4 214 B9R1.15 CN1CCCCC1CBr CBR01705 [1,0,0,1,0,0|2,0,0]=4 215 B9R1.15 CN1CCCCC1CCl CBR00922 [1,0,0,1,0,0|2,0,0]=4 216 B9R1.15 CN[C@@H]1CCCC[C@H]1O BBO000382 [1,0,0,1,0,0|1,0,0]=3 217 B9R1.15 N#C[C@@H]1CCCC[C@H]1O PH017201 [1,0,0,1,0,0|1,0,1]=4 218 B9R1.15 NC[C@@H]1CCCC[C@@H]1N BBO000355 [1,0,0,1,0,0|2,0,0]=4 219 B9R1.15 NC[C@@H]1CCCC[C@H]1N BBO000357 [1,0,0,1,0,0|2,0,0]=4 220 B9R1.15 NC[C@H]1CCCC[C@H]1O BBO000725 [1,0,0,1,0,0|1,0,0]=3 221 B9R1.15 NC[C@H]1CCCC[C@H]1O CDS006535 [1,0,0,1,0,0|1,0,0]=3 222 B9R1.15 OC[C@H]1CCNC[C@H]1O CBR01689 [1,0,0,1,0,0|2,0,0]=4 223 B9R1.33 CC1CCCN1CCO PH015834 [1,0,0,1,0,0|1,0,0]=3 224 B9R1.50 BrC1CCCCCCC1 PH011377 [1,0,0,1,0,0|1,0,0]=3 225 B9R1.50 OC1CCCCCOC1 T168815 [1,0,0,1,0,0|1,0,0]=3 226 B9R1.89 CCC1CCCNCC1 CBR01788 [1,0,0,1,0,0|1,0,0]=3 227 B9R1.89 CCN1CCCNCC1 CBR02337 [1,0,0,1,0,0|2,0,0]=4 228 B9R1.89 CNC1CCCCCC1 CBR00882 [1,0,0,1,0,0|1,0,0]=3 229 B9R1.89 O=CC1CCCCCC1 PH015086 [1,0,0,1,0,0|0,0,2]=4 230 B9R1.89 OCC1CNCCCO1 CDS020100 [1,0,0,1,0,0|2,0,0]=4 231 B9R1.89 OCC1CNCCOC1 PH019466 [1,0,0,1,0,0|2,0,0]=4 232 B11R1.4 C(=O)OCCCC1CCCO1 T177563 [0,1,0,1,0,0|1,0,1]=4 233 B11R1.4 CCCCOCC1CCCO1 S866369 [0,1,0,1,0,0|0,0,0]=2 234 B11R1.4 N#CCCCCN1CCCC1 S431273 [0,1,0,1,0,0|1,0,1]=4 235 B11R1.16 CCCC(C)C1NCCCS1 T149705 [0,1,0,1,0,0|1,1,0]=4 236 B11R1.16 CCCC(O)C1CCCCC1 S447005 [0,1,0,1,0,0|1,0,0]=3 237 B11R1.16 CN(CCN)C1CCCCC1 OTV000938 [0,1,0,1,0,0|2,0,0]=4 238 B11R1.16 CN(CCO)C1CCNCC1 CBR00659 [0,1,0,1,0,0|2,0,0]=4 239 B11R1.16 NC(CCO)C1CCCCC1 BBO000388 [0,1,0,1,0,0|0,0,0]=2 240 B11R1.16 NC(CCO)C1CCCCC1 BBO000750 [0,1,0,1,0,0|0,0,0]=2 241 B11R1.26 OCC1CCCCCCC1O T232882 [0,1,0,1,0,0|0,0,0]=2 242 B11R1.101 O=C1CCCCCCCCN1 S929964 [0,1,0,1,0,0|0,0,2]=4 243 B11R1.101 OC1CCCC=CCCCC1 S931985 [0,1,0,1,0,0|0,0,1]=3 244 B11R1.117 NCCC1CCCCCCC1 CBR01321 [0,1,0,1,0,0|1,0,0]=3 245 B11R1.180 CCCCCC1CCCC1=O S148938 [0,1,0,1,0,0|0,0,1]=3 246 B11R1.189 NCCN1CCCC(C1)CO CBR01408 [0,1,0,1,0,0|2,0,0]=4 247 B11R1.774 C=CC[C@]1(CCCC[C@@H]1O)O T263753 [0,1,0,1,0,0|0,0,2]=4 248 B11R1.774 [18OH][C@@]1(CCCC[C@@H]1C)CC=C T244465 [0,1,0,1,0,0|1,0,1]=4 249 B11R1.86 CC(C)C[C@H]1CCCC[C@H]1N PH018572 [0,1,0,1,0,0|1,0,0]=3 250 B11R1.86 CC(C)OC1CCCCC1O S672734 [0,1,0,1,0,0|1,0,0]=3 251 B11R1.86 CC(O)CN1CCCCC1C PH015080 [0,1,0,1,0,0|1,0,0]=3 252 B11R1.86 CC1CCCCC1CC(=O)O L127892 [0,1,0,1,0,0|0,0,1]=3 253 B11R1.91 CC(=O)OCC1CCCCO1 S364959 [0,1,0,1,0,0|1,0,1]=4 254 B11R1.91 CC(O)CNC1CCCCC1 PH010876 [0,1,0,1,0,0|1,0,0]=3 255 B11R1.91 CC(O)CNC1CCCCC1 S509108 [0,1,0,1,0,0|1,0,0]=3 256 B11R1.91 CN(C)CCC1CCCCN1 CBR00696 [0,1,0,1,0,0|2,0,0]=4 257 B11R1.91 NC(=O)CCC1CCCCC1 EME00450 [0,1,0,1,0,0|0,0,2]=4 258 B11R1.91 O=C(O)CNC1CCCCC1 PH010418 [0,1,0,1,0,0|1,0,1]=4 259 B11R1.143 CN1CCCCCC1C(=O)O CBR00944 [0,1,0,1,0,0|1,0,1]=4 260 B11R1.543 CC1(CCCCCCCC1)O T211540 [0,1,0,1,0,0|0,0,0]=2 261 B11R1.742 CC(O)CN1CCCCCC1 S350524 [0,1,0,1,0,0|1,0,0]=3 262 B11R1.742 O=C(O)CN1CCCCCC1 CBR00324 [0,1,0,1,0,0|1,0,1]=4 263 B11R1.17 C=CCN[C@@H]1CCCC[C@H]1O PH007887 [0,1,0,1,0,0|0,0,2]=4 264 B11R1.17 CC1CCCCN1CCCO S353426 [0,1,0,1,0,0|0,0,0]=2 265 B11R1.17 CCCCC1CCCCC1O S359122 [0,1,0,1,0,0|0,0,0]=2 266 B11R1.17 COCCC1CCCCN1C PH000449 [0,1,0,1,0,0|1,0,0]=3 267 B11R1.28 C=CCCOC1CCCCO1 T241415 [0,1,0,1,0,0|0,0,2]=4 268 B11R1.28 CCCCCC1CCCCC1 S431664 [0,1,0,1,0,0|1,0,0]=3 269 B11R1.28 CCCCCN1CCNCC1 CDS004779 [0,1,0,1,0,0|2,0,0]=4 270 B11R1.28 CCNCCN1CCCCC1 CBR02321 [0,1,0,1,0,0|2,0,0]=4 271 B11R1.28 CNCCCC1CCCCC1 PH010303 [0,1,0,1,0,0|1,0,0]=3 272 B11R1.28 COCCCC1CCCCN1 CBR01367 [0,1,0,1,0,0|1,0,0]=3 273 B11R1.28 COCCCC1CCCNC1 CBR01297 [0,1,0,1,0,0|1,0,0]=3 274 B11R1.28 N#CCCCC1CCCCC1 S432636 [0,1,0,1,0,0|1,0,0]=3 275 B11R1.28 N#CCCCN1CCCCC1 S354856 [0,1,0,1,0,0|1,0,1]=4 276 B11R1.28 NCCCCN1CCCCC1 PH002408 [0,1,0,1,0,0|1,0,0]=3 277 B11R1.28 NCCOCC1CCCCC1 CDS020939 [0,1,0,1,0,0|1,0,0]=3 278 B11R1.28 NNCCCC1CCCCC1 PH019011 [0,1,0,1,0,0|1,0,0]=3 279 B11R1.28 OCCCCN1CCNCC1 CBR00630 [0,1,0,1,0,0|1,0,0]=3 280 B11R1.28 OCCCCN1CCNCC1 PH019353 [0,1,0,1,0,0|1,0,0]=3 281 B11R1.28 SCCNCC1CCCCC1 PH012943 [0,1,0,1,0,0|0,1,0]=3 282 B11R1.41 CCCC\1CCCC/C1=N\O PH008814 [0,1,0,1,0,0|0,0,1]=3 283 B11R1.51 [C@@H]1(CCCCC[C@H]1CO)CO T192716 [0,1,0,1,0,0|0,0,0]=2 284 B11R1.92 C1CCCCCCCCCC1 T330035 [0,1,0,1,0,0|1,0,0]=3 285 B11R1.203 CCCCC1CCCCCN1 PH015579 [0,1,0,1,0,0|1,0,0]=3 286 B11R1.203 CNCCN1CCCCCC1 PH017966 [0,1,0,1,0,0|2,0,0]=4 287 B11R1.203 N#CCCN1CCCCCC1 S369098 [0,1,0,1,0,0|1,0,1]=4 288 B11R1.203 NCCCN1CCCCCC1 PH005125 [0,1,0,1,0,0|1,0,0]=3 289 B11R1.203 OCCCN1CCCCCC1 CBR00469 [0,1,0,1,0,0|0,0,0]=2 290 B11R1.1 CC1CCN(CC1)CCCN CDS001621 [0,1,0,1,0,0|2,0,0]=4 291 B11R1.1 CCCCN1CCC(CC1)C S647756 [0,1,0,1,0,0|2,0,0]=4 292 B11R1.1 CN1CCN(CC1)CCCO ANV00016 [0,1,0,1,0,0|2,0,0]=4 293 B11R1.1 CN1CCN(CC1)CCCO CDS004562 [0,1,0,1,0,0|2,0,0]=4 294 B11R1.1 NCCCN1CCC(CC1)O CBR01360 [0,1,0,1,0,0|2,0,0]=4 295 B11R1.40 CC(CCl)CN1CCCCC1 PH014097 [0,1,0,1,0,0|2,0,0]=4 296 B11R1.40 CC(CN)CN1CCCCC1 PH010487 [0,1,0,1,0,0|2,0,0]=4 297 B11R1.40 CCC(N)CN1CCCCC1 CDS001860 [0,1,0,1,0,0|2,0,0]=4 298 B11R1.40 OCC(O)CN1CCNCC1 PH015129 [0,1,0,1,0,0|2,0,0]=4 299 B11R1.54 CCC1CCCCC1(O)CC S346012 [0,1,0,1,0,0|1,0,0]=3 300 B11R1.54 CN[C@]1(CCCC[C@H]1CO)C BBO000379 [0,1,0,1,0,0|1,0,0]=3 301 B11R1.214 COCCN1CCC(C1)CO CBR00321 [0,1,0,1,0,0|2,0,0]=4 302 B11R1.222 COC(=O)C1CCCCC1O S764612 [0,1,0,1,0,0|1,0,1]=4 303 B11R1.410 C=CC1(CCCCCCC1)O R239682 [0,1,0,1,0,0|1,0,1]=4 304 B11R1.29 CN(CCCN)C1CCCC1 PH014419 [0,1,0,1,0,0|2,0,0]=4 305 B11R1.37 CC1CCC(C(C1)CO)CO S454818 [0,1,0,1,0,0|1,0,0]=3 306 B11R1.605 C=C1CCCC(C1CCO)C S884537 [0,1,0,1,0,0|0,0,1]=3 307 B11R1.605 CC1CCCC(N1CCN)C PH015314 [0,1,0,1,0,0|2,0,0]=4 308 B11R1.605 C[C@H]1CCC[C@H](N1CCN)C PH015712 [0,1,0,1,0,0|2,0,0]=4 309 B11R1.756 CCCCCC1(CCCC1)O S412457 [0,1,0,1,0,0|1,0,0]=3 310 B11R1.900 CCCCC1(CCCCC1)O S406953 [0,1,0,1,0,0|1,0,0]=3 311 B11R1.900 OCC#CC1(CCCCC1)O S662933 [0,1,0,1,0,0|0,0,2]=4 312 B11R2.10 OC1CC2CCCCN2C1 CDS024575 [0,0,0,2,0,0|1,0,0]=3 313 B11R2.20 C1CCC2CCCN=C2C1 PH001359 [0,0,0,2,0,0|1,0,1]=4 314 B11R2.20 C1CCC2OCCNC2C1 CDS019792 [0,0,0,2,0,0|1,0,0]=3 315 B11R2.20 C1CCC2OCOCC2C1 S699276 [0,0,0,2,0,0|1,0,0]=3 316 B11R2.20 C1CCN2CCNCC2C1 T165344 [0,0,0,2,0,0|2,0,0]=4 317 B11R2.20 C1CC[C@H]2NCCN[C@@H]2C1 PH008015 [0,0,0,2,0,0|2,0,0]=4 318 B11R2.106 CC1NCCN2C1CCC2 CBR01507 [0,0,0,2,0,0|2,0,0]=4 319 B11R2.106 [C@@H]12CCCC(=C)[C@@H]1CCC2 T172464 [0,0,0,2,0,0|1,0,1]=4 320 B11R2.106 [C@@H]12CCCC(=O)[C@@H]1CCC2 T167339 [0,0,0,2,0,0|0,0,2]=4 321 B11R2.106 [C@@H]12CCC[C@H]([C@@H]1CCC2)O T167320 [0,0,0,2,0,0|0,0,0]=2 322 B11R2.248 OCCC1CC2CCC1C2 S455563 [0,0,0,2,0,0|0,0,0]=2 323 B11R2.248 OCCN1CC2CCC1C2 CBR01377 [0,0,0,2,0,0|1,0,0]=3 324 B11R2.357 IC1CCC2CCCC1O2 T173398 [0,0,0,2,0,0|1,0,0]=3 325 B11R2.402 [C@@H]12CCCC[C@@]1(COC2)C T232947 [0,0,0,2,0,0|2,0,0]=4 326 B11R2.8 [C@@H]12CCC[C@@H]1[C@@H](C(=O)C2)C T298115 [0,0,0,2,0,0|0,0,2]=4 327 B11R2.36 C[C@@H]1CN2CCC[C@@H]2CN1 PH018826 [0,0,0,2,0,0|2,0,0]=4 328 B11R2.36 OC1CCC2CCCC2C1 S350508 [0,0,0,2,0,0|0,0,0]=2 329 B11R2.36 [C@@H]12CCC[C@@H]1CN(CC2)C T167525 [0,0,0,2,0,0|2,0,0]=4 330 B11R2.1098 CCC12OCCN1CCO2 S502715 [0,0,0,2,0,0|2,0,0]=4 331 B11R2.1098 NCC12CCCN1CCC2 CBR00682 [0,0,0,2,0,0|2,0,0]=4 332 B11R2.474 O=C1CCCC2CCC1O2 T173460 [0,0,0,2,0,0|1,0,1]=4 333 B11R2.513 [C@@H]12CCCCCC(=O)C1C2 T172456 [0,0,0,2,0,0|0,0,2]=4 334 B11R2.513 [C@@H]12CCCCCC(=O)[C@@H]1C2 T172480 [0,0,0,2,0,0|0,0,2]=4 335 B11R2.513 [C@H]12CCCCCC([C@H]1C2)C T179787 [0,0,0,2,0,0|1,0,0]=3 336 B11R2.531 [C@H]12CCC(=O)C([C@H]1CC2)C T181080 [0,0,0,2,0,0|0,0,2]=4 337 B11R2.1 O=C1CCC2C1CCCC2 T181331 [0,0,0,2,0,0|0,0,2]=4 338 B11R2.1 [C@@H]12CCCC[C@@H]1C(=O)CC2 T181420 [0,0,0,2,0,0|0,0,2]=4 339 B11R2.13 N#CC1CC12CCCCC2 PH007933 [0,0,0,2,0,0|1,0,1]=4 340 B11R2.238 C1CN(CCO1)CC2CO2 CDS003115 [0,0,0,2,0,0|2,0,0]=4 341 B11R2.199 O=C1C2CCCCC1CC2 T299324 [0,0,0,2,0,0|0,0,2]=4 342 B11R2.210 CCC12CC1CCCC2=O T293164 [0,0,0,2,0,0|0,0,2]=4 343 B11R2.266 C1(CCC2CCC1O2)[Hg]I T173215 [0,0,0,2,0,0|2,0,0]=4 344 B11R2.135 [C@H]12CCCCC(=C)C[C@H]1C2 T179760 [0,0,0,2,0,0|1,0,1]=4 345 B11R2.135 [C@H]12CCCCC(=O)C[C@H]1C2 T179965 [0,0,0,2,0,0|0,0,2]=4 346 B11R2.135 [C@H]12CCCCC(C[C@H]1C2)O T179930 [0,0,0,2,0,0|0,0,0]=2 347 B11R2.1242 C1=CCCC2(CC1)CCO2 T272221 [0,0,0,2,0,0|0,0,2]=4 348 B11R2.111 [C@@H]12CCC(CCC[C@@H]1C2)C T179817 [0,0,0,2,0,0|1,0,0]=3 349 B11R2.111 [C@H]1(C=CC2CC2CCC1)O T200212 [0,0,0,2,0,0|0,0,2]=4