0 B10R1.10 CCCC1CCNC(=O)C1 SY263160 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.10 CCCN1CCCC(O)C1 SY034776 [0,0,0,0,0,0|2,0,2]=4 2 B10R1.10 CCNC1CCCN(C)C1 SY023940 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.10 CCOC1=CC(=O)CCC1 SY048535 [0,0,0,0,0,0|2,0,1]=3 4 B10R1.10 O=C1CN(CCO)CCN1 SY033091 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.2 CCC1CC(=O)CCN1 SY278089 [1,0,0,0,0,0|2,0,0]=3 6 B9R1.2 CCC1CCCC(O)C1 SY033582 [1,0,0,0,0,0|1,0,2]=4 7 B9R1.2 CCC1CCNC(=O)C1 SY163712 [1,0,0,0,0,0|2,0,0]=3 8 B9R1.2 O=C1CC(CBr)CCN1 SY263150 [1,0,0,0,0,0|3,0,0]=4 9 B9R1.2 O=C1CC(CO)CCN1 SY042203 [1,0,0,0,0,0|3,0,0]=4 10 B9R1.8 BrCCC1CCCCC1 SY059439 [1,0,0,0,0,0|2,0,1]=4 11 B9R1.8 BrCCC1OCCCO1 SY006188 [1,0,0,0,0,0|2,0,1]=4 12 B9R1.8 CCCC1=CC=CCC1 SY292099 [1,0,0,0,0,0|1,0,2]=4 13 B9R1.8 CCCN1CCCCC1 SY275647 [1,0,0,0,0,0|2,0,1]=4 14 B9R1.8 CNC[C@@H]1COCCO1 SY224435 [1,0,0,0,0,0|2,0,1]=4 15 B9R1.8 CNC[C@@H]1COCCO1 SY225468 [1,0,0,0,0,0|2,0,1]=4 16 B9R1.8 NCCC1CCCCC1 SY024342 [1,0,0,0,0,0|2,0,1]=4 17 B9R1.8 OCCC1CCCCC1 SY011885 [1,0,0,0,0,0|2,0,1]=4 18 B9R1.8 OCCC1CCCNC1 SY011954 [1,0,0,0,0,0|3,0,0]=4 19 B11R1.23 COC(=O)C1CCCC(=O)C1 SY041265 [0,1,0,0,0,0|2,0,1]=4 20 B9R0.2 C#CCCCCCC(=O)O SY028715 [0,0,1,0,0,0|0,0,2]=3 21 B9R0.2 C=CCCCCCC(=O)O SY240016 [0,0,1,0,0,0|0,0,2]=3 22 B9R0.2 CC(=O)NCCCCCN SY262838 [0,0,1,0,0,0|3,0,0]=4 23 B9R0.2 CC(=O)OCCCCCBr SY048649 [0,0,1,0,0,0|3,0,0]=4 24 B9R0.2 CCCCCCCC(=O)[O-] SY014939 [0,0,1,0,0,0|0,0,1]=2 25 B9R0.2 CCCCCCC[N+](=O)[O-] SY266539 [0,0,1,0,0,0|1,0,1]=3 26 B9R0.2 CCC\C=C/CCC(=O)O SY273608 [0,0,1,0,0,0|0,0,2]=3 27 B9R0.2 CCC\C=C\CCC(=O)O SY285302 [0,0,1,0,0,0|0,0,2]=3 28 B9R0.2 COCCOCCC(=O)O SY036257 [0,0,1,0,0,0|2,0,0]=3 29 B9R0.2 NC(=O)CCCCCCO SY247978 [0,0,1,0,0,0|2,0,0]=3 30 B9R0.2 NCCCCCCC(=O)O SY034831 [0,0,1,0,0,0|1,0,0]=2 31 B9R0.2 NCCCCCCC(N)=O SY247975 [0,0,1,0,0,0|2,0,0]=3 32 B9R0.2 O=C(O)CCCCCCBr SY015073 [0,0,1,0,0,0|1,0,0]=2 33 B9R0.2 O=[N+]([O-])CCCCCCBr SY266565 [0,0,1,0,0,0|2,0,1]=4 34 B9R0.2 O=[N+]([O-])CCCCCCCl SY266517 [0,0,1,0,0,0|2,0,1]=4 35 B9R0.2 O=[N+]([O-])CCCCCCO SY266580 [0,0,1,0,0,0|2,0,1]=4 36 B9R0.5 CCOC(=O)CCCCBr SY002795 [0,0,1,0,0,0|3,0,0]=4 37 B9R0.14 CCCC(CC)OC(=O)Cl SY250031 [0,0,1,0,0,0|1,0,0]=2 38 B9R0.17 CCCC(CCC)CCC SY262038 [0,0,1,0,0,0|2,0,1]=4 39 B9R0.17 CCOC(CC=O)OCC SY269124 [0,0,1,0,0,0|3,0,0]=4 40 B11R2.106 [C@H]12CCCN1C(=O)CNC2 SY262650 [0,0,0,1,0,0|2,0,0]=3 41 B11R2.678 O=C1CC2CCCC(C1)N2 SY002259 [0,0,0,1,0,0|2,0,0]=3 42 B11R2.678 O=C1CC2COCC(C1)N2 SY016722 [0,0,0,1,0,0|3,0,0]=4 43 B11R2.1478 O=C1CCNC2(CCC2)C1 SY264799 [0,0,0,1,0,0|2,0,0]=3 44 B9R1.7 CCC[C@H]1COC(=O)C1 SY039698 [0,0,0,0,1,0|2,0,0]=3 45 B9R1.33 CN1CCCC1CCN SY050705 [0,0,0,0,1,0|3,0,0]=4 46 B9R1.33 CN1CCCC1CCO SY014916 [0,0,0,0,1,0|3,0,0]=4 47 B9R1.33 NCCN1CCCC1=O SY079324 [0,0,0,0,1,0|2,0,0]=3 48 B9R1.33 NCCN1CCNC1=O SY062930 [0,0,0,0,1,0|3,0,0]=4 49 B9R1.33 O=C1NCCN1CCBr SY263422 [0,0,0,0,1,0|3,0,0]=4 50 B8R0.4 C=CCCCCCCBr SY032409 [1,0,1,0,0,0|2,0,0]=4 51 B8R0.4 CCCCCCCON SY281820 [1,0,1,0,0,0|2,0,0]=4 52 B8R0.4 CCCCCCCON SY281821 [1,0,1,0,0,0|2,0,0]=4 53 B8R0.4 OCCCCCCCBr SY019463 [1,0,1,0,0,0|1,0,1]=4 54 B8R0.4 OCCCCCCCO SY010789 [1,0,1,0,0,0|1,0,1]=4 55 B8R0.7 C#CCCCCC(=O)O SY021705 [1,0,1,0,0,0|0,0,2]=4 56 B8R0.7 CCCCCCB(O)O SY017961 [1,0,1,0,0,0|1,0,1]=4 57 B8R0.7 CCCCCC[C@@H](C)O SY038272 [1,0,1,0,0,0|1,0,1]=4 58 B8R0.7 CCCCCC[N+](=O)[O-] SY266557 [1,0,1,0,0,0|1,0,1]=4 59 B8R0.7 CCCCOCC(=O)O SY002472 [1,0,1,0,0,0|1,0,0]=3 60 B8R0.7 COCCOCC(=O)O SY035294 [1,0,1,0,0,0|2,0,0]=4 61 B8R0.7 NC(=O)CCCCCBr SY103908 [1,0,1,0,0,0|2,0,0]=4 62 B8R0.7 NC(=O)CCCCCO SY247977 [1,0,1,0,0,0|2,0,0]=4 63 B8R0.7 NCCCCCC(=O)O SY003109 [1,0,1,0,0,0|1,0,0]=3 64 B8R0.7 NCCCCCC(N)=O SY247974 [1,0,1,0,0,0|2,0,0]=4 65 B8R0.7 O=C(O)CCCCCCl SY053214 [1,0,1,0,0,0|1,0,0]=3 66 B8R0.7 O=C(O)CCCCCO SY032043 [1,0,1,0,0,0|1,0,0]=3 67 B8R0.7 O=C(O)CCOCCBr SY273001 [1,0,1,0,0,0|2,0,0]=4 68 B8R0.7 O=C(O)CCOCCO SY293391 [1,0,1,0,0,0|2,0,0]=4 69 B8R0.7 O=C([O-])CCCCCO SY121174 [1,0,1,0,0,0|1,0,1]=4 70 B8R0.1 CCOC(=O)CCCI SY014641 [1,0,1,0,0,0|2,0,0]=4 71 B8R0.1 CCOC(=O)CCCN SY015028 [1,0,1,0,0,0|2,0,0]=4 72 B8R0.1 CCOC(=O)CCCO SY263197 [1,0,1,0,0,0|2,0,0]=4 73 B8R0.1 CCOC(=O)CCNC SY019659 [1,0,1,0,0,0|2,0,0]=4 74 B8R0.5 CCCC(C)OC(=O)Cl SY285574 [1,0,1,0,0,0|1,0,0]=3 75 B8R0.22 CCCC(C#N)CCC SY059783 [1,0,1,0,0,0|1,0,1]=4 76 B8R1.2 NCC1CCCCO1 SY003242 [2,0,0,0,0,0|1,0,1]=4 77 B8R1.2 OCC1CCC=CO1 SY051074 [2,0,0,0,0,0|1,0,1]=4 78 B8R1.2 OCC1CCCCO1 SY003220 [2,0,0,0,0,0|1,0,1]=4 79 B8R1.2 OC[C@H]1CCC=CO1 SY257768 [2,0,0,0,0,0|1,0,1]=4 80 B8R1.4 CC1=CC(=O)CCC1 SY011435 [2,0,0,0,0,0|1,0,1]=4 81 B8R1.4 CC1CCCC(=O)N1 SY033090 [2,0,0,0,0,0|1,0,0]=3 82 B8R1.4 CC1CCCC(=O)O1 SY048899 [2,0,0,0,0,0|0,0,0]=2 83 B8R1.4 CC1CCNC(=O)C1 SY033089 [2,0,0,0,0,0|2,0,0]=4 84 B8R1.4 CN1CCCC(=O)C1 SY023480 [2,0,0,0,0,0|2,0,0]=4 85 B8R1.4 C[C@@H]1CC(=O)CCN1 SY259242 [2,0,0,0,0,0|2,0,0]=4 86 B8R1.4 C[C@@H]1CNCC(=O)N1 SY259669 [2,0,0,0,0,0|2,0,0]=4 87 B8R1.4 C[C@H]1CC(=O)CCN1 SY234011 [2,0,0,0,0,0|2,0,0]=4 88 B8R1.4 C[C@H]1CCCC(=O)C1 SY290780 [2,0,0,0,0,0|1,0,0]=3 89 B10R0.3 CCOC(=O)CCCC(=O)O SY036401 [0,1,1,0,0,0|1,0,1]=4 90 B10R0.4 CCCCCCCCB(O)O SY031616 [0,1,1,0,0,0|1,0,1]=4 91 B10R0.4 CCCCCCCC[N+](=O)[O-] SY266562 [0,1,1,0,0,0|1,0,1]=4 92 B10R0.4 COCCCCCC[N+](=O)[O-] SY266592 [0,1,1,0,0,0|1,0,1]=4 93 B10R0.4 NCCCCCCCC(=O)O SY043332 [0,1,1,0,0,0|0,0,0]=2 94 B10R0.4 NCCOCCOCC(=O)O SY047167 [0,1,1,0,0,0|2,0,0]=4 95 B10R0.4 O=C(O)CCCCCCCO SY022019 [0,1,1,0,0,0|0,0,0]=2 96 B10R0.4 O=[N+]([O-])CCCCCCCO SY266583 [0,1,1,0,0,0|1,0,1]=4 97 B10R0.22 CCCCCCCS(=O)(=O)[O-] SY001370 [0,1,1,0,0,0|1,0,1]=4 98 B10R0.22 CCCCCCCS(=O)(=O)[O-] SY011506 [0,1,1,0,0,0|1,0,1]=4 99 B10R0.55 COC(=O)CCCCC(=O)O SY020964 [0,1,1,0,0,0|1,0,1]=4 100 B10R0.74 CCCCCCCC(=O)NN SY032684 [0,1,1,0,0,0|1,0,0]=3 101 B10R0.74 CCCCCCCC(=O)NO SY020160 [0,1,1,0,0,0|0,0,0]=2 102 B10R0.74 COC(=O)CCCCCCBr SY030923 [0,1,1,0,0,0|1,0,0]=3 103 B10R0.74 COC(=O)CCCCCCN SY027249 [0,1,1,0,0,0|1,0,0]=3 104 B10R0.78 CCCCC(=N)NCC(=O)O SY300206 [0,1,1,0,0,0|1,0,1]=4 105 B10R0.97 CC(C)=CCCCCC(=O)O SY253608 [0,1,1,0,0,0|0,0,2]=4 106 B10R0.97 O=C(O)CCCCCC(=O)O SY014051 [0,1,1,0,0,0|1,0,1]=4 107 B10R0.1 CCOC(=O)CCCCCO SY116371 [0,1,1,0,0,0|2,0,0]=4 108 B10R0.1 CCOC(=O)COCCCCl SY238334 [0,1,1,0,0,0|2,0,0]=4 109 B10R0.2 CCCC(=O)CC(=O)CCC SY030040 [0,1,1,0,0,0|1,0,1]=4 110 B10R0.2 CCCC(O)CC(=O)OCC SY048396 [0,1,1,0,0,0|2,0,0]=4 111 B10R1.113 CC(C)C1CCCC(=O)C1 SY163056 [1,1,0,0,0,0|1,0,0]=3 112 B10R1.17 BrCCOC1CCCCO1 SY038937 [1,1,0,0,0,0|1,0,1]=4 113 B10R1.17 COCC[C@@H]1CCCCN1 SY105723 [1,1,0,0,0,0|1,0,1]=4 114 B10R1.17 OCCCC1CCCCN1 SY023124 [1,1,0,0,0,0|1,0,1]=4 115 B10R1.17 OCCCC1CCCNC1 SY022171 [1,1,0,0,0,0|2,0,0]=4 116 B10R1.16 CCCCC1CCC(=O)O1 SY015123 [0,1,0,0,1,0|0,0,0]=2 117 B10R1.54 CC(C)C[C@H]1COC(=O)N1 SY037850 [0,1,0,0,1,0|2,0,0]=4 118 B10R1.29 N#CCCC1CCCC1=O SY262857 [0,1,0,0,1,0|0,0,1]=3 119 B10R1.64 CC(O)CC1CCNC1=O SY272409 [0,1,0,0,1,0|1,0,0]=3 120 B10R1.149 COC(=O)C1CCCC1=O SY006366 [0,1,0,0,1,0|1,0,1]=4 121 B12R1.17 CCOC(=O)C1CCCC(=O)C1 SY018889 [0,2,0,0,0,0|1,0,1]=4 122 B12R1.17 CCOC(=O)[C@H]1CCCC(=O)N1 SY310014 [0,2,0,0,0,0|1,0,1]=4 123 B12R1.28 CCCCCC1CCCC(=O)O1 SY015319 [0,2,0,0,0,0|0,0,0]=2 124 B12R1.50 COC(=O)CC1CCCC(=O)C1 SY030678 [0,2,0,0,0,0|1,0,1]=4 125 B12R1.286 CCCC1CCC(Cl)=C(C=O)C1 SY264285 [0,2,0,0,0,0|1,0,1]=4 126 B10R1.61 CN1CCCCC1C(=O)O SY045469 [0,0,1,1,0,0|1,0,0]=3 127 B10R1.66 NC(=O)COC1CCCC1 SY011050 [0,0,1,1,0,0|2,0,0]=4 128 B10R1.66 O=C(O)CCC1OCCO1 SY111394 [0,0,1,1,0,0|2,0,0]=4 129 B10R1.66 O=C(O)CCN1CCCC1 SY080702 [0,0,1,1,0,0|1,0,0]=3 130 B10R1.66 O=C(O)COC1CCCC1 SY006722 [0,0,1,1,0,0|1,0,0]=3 131 B10R1.78 O=C1CCCCCCCC1 SY129777 [0,0,1,1,0,0|1,0,0]=3 132 B10R1.348 O=C(O)C1CCCCCC1 SY007810 [0,0,1,1,0,0|0,0,0]=2 133 B10R1.348 O=C(O)C1CCCCCN1 SY033263 [0,0,1,1,0,0|1,0,0]=3 134 B10R1.348 O=C(O)C1CNCCCO1 SY004911 [0,0,1,1,0,0|2,0,0]=4 135 B10R1.137 CCOC(=O)CC1CCC1 SY240747 [0,0,1,1,0,0|2,0,0]=4 136 B10R1.138 CCCC(=O)OC[C@@H]1CO1 SY046893 [0,0,1,1,0,0|1,0,0]=3 137 B10R1.138 CCCC(=O)OC[C@H]1CO1 SY003778 [0,0,1,1,0,0|1,0,0]=3 138 B10R2.62 O=C1CN2CCC1CC2 SY003508 [1,0,0,1,0,0|2,0,0]=4 139 B10R2.71 O=C1CC2CCC(C1)N2 SY004653 [1,0,0,1,0,0|2,0,0]=4 140 B10R2.71 O=C1CC2CCC(C1)O2 SY097987 [1,0,0,1,0,0|2,0,0]=4 141 B10R2.534 O=C1CCCC2(CC2)C1 SY100211 [1,0,0,1,0,0|1,0,0]=3 142 B10R2.2 [C@@H]12CCO[C@@H]1CC(=O)C2 SY310802 [0,0,0,1,1,0|2,0,0]=4 143 B10R2.2 [C@@H]12COC[C@H]1CC(=O)C2 SY270453 [0,0,0,1,1,0|2,0,0]=4 144 B10R2.2 [C@H]12CCC[C@@H]1OC(C)=N2 SY096555 [0,0,0,1,1,0|2,0,0]=4 145 B10R2.332 O=C1CCC2(CCC2)N1 SY267911 [0,0,0,1,1,0|1,0,0]=3 146 B10R2.332 O=C1CCC2(CNC2)N1 SY098982 [0,0,0,1,1,0|2,0,0]=4 147 B10R2.332 O=C1CCC2(COC2)C1 SY278070 [0,0,0,1,1,0|2,0,0]=4 148 B10R2.332 O=C1NC2(CCC2)CO1 SY260681 [0,0,0,1,1,0|2,0,0]=4 149 B10R2.60 O=C1CC2CC1CC2=O SY224501 [0,0,0,1,1,0|1,0,1]=4 150 B12R2.469 O=C1CCCN(C2CC2)CC1 SY247857 [0,0,0,1,0,1|2,0,0]=4 151 B12R2.1081 O=C1CCCC2CNCCN12 SY275677 [0,1,0,1,0,0|1,0,0]=3 152 B12R2.1154 CN1C2CCCC1CC(=O)C2 SY001223 [0,1,0,1,0,0|2,0,0]=4 153 B12R2.5121 O=C1CCCC2(C1)OCCO2 SY047581 [0,1,0,1,0,0|2,0,0]=4 154 B12R2.5121 O=C1CCOC2(CCCC2)C1 SY100094 [0,1,0,1,0,0|2,0,0]=4 155 B8R0.15 CCCC(OC)C(=O)O SY057656 [0,0,1,0,1,0|2,0,0]=4 156 B8R0.15 CCOC(CC)C(=O)O SY057654 [0,0,1,0,1,0|2,0,0]=4 157 B8R1.1 CCC1CCC(=O)O1 SY015382 [1,0,0,0,1,0|0,0,0]=2 158 B8R1.1 NCC1CCC(=O)N1 SY006694 [1,0,0,0,1,0|2,0,0]=4 159 B8R1.1 NC[C@@H]1CCC(=O)N1 SY045358 [1,0,0,0,1,0|2,0,0]=4 160 B8R1.1 NC[C@@H]1CCC(=O)N1 SY215400 [1,0,0,0,1,0|2,0,0]=4 161 B8R1.1 NC[C@H]1CCC(=O)N1 SY024297 [1,0,0,0,1,0|2,0,0]=4 162 B8R1.1 O=C1CCC(CBr)O1 SY250804 [1,0,0,0,1,0|1,0,0]=3 163 B8R1.1 O=C1CCC(CO)N1 SY059670 [1,0,0,0,1,0|2,0,0]=4 164 B8R1.1 O=C1CC[C@@H](CBr)N1 SY033743 [1,0,0,0,1,0|2,0,0]=4 165 B8R1.1 O=C1CC[C@@H](CO)N1 SY004165 [1,0,0,0,1,0|2,0,0]=4 166 B8R1.1 O=C1CC[C@@H](CO)O1 SY010497 [1,0,0,0,1,0|1,0,0]=3 167 B8R1.1 O=C1CC[C@H](CBr)N1 SY066920 [1,0,0,0,1,0|2,0,0]=4 168 B8R1.1 O=C1CC[C@H](CO)N1 SY004164 [1,0,0,0,1,0|2,0,0]=4 169 B8R1.1 O=C1NCC(CO)O1 SY005286 [1,0,0,0,1,0|2,0,0]=4 170 B8R1.1 O=C1OCC(CO)O1 SY037075 [1,0,0,0,1,0|2,0,0]=4 171 B8R1.11 N#CC1CCCC1=O SY064897 [1,0,0,0,1,0|1,0,1]=4 172 B8R1.11 NCC1CCCC1=O SY158694 [1,0,0,0,1,0|1,0,0]=3 173 B8R1.8 COCC1CCCN1 SY122813 [1,0,0,0,1,0|2,0,0]=4 174 B8R1.8 COC[C@H]1CCCN1 SY013140 [1,0,0,0,1,0|2,0,0]=4 175 B8R1.8 ClCCC1CCCC1 SY036243 [1,0,0,0,1,0|1,0,1]=4 176 B8R1.8 NCCC1OCCO1 SY052592 [1,0,0,0,1,0|2,0,0]=4 177 B8R1.8 OCCC1CCCC1 SY032290 [1,0,0,0,1,0|1,0,1]=4