0 B10R1.10 CCCC1CCOC(C)S1 SBB058540 [0,0,0,0,0,0|2,1,1]=4 1 B10R1.10 CCCC1OCCC(C)O1 SBB060972 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.10 CNCC1CCCN(C)C1 SBB086259 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.2 CCN1CCCC(=O)C1 SBB056089 [1,0,0,0,0,0|2,0,0]=3 4 B9R1.2 O=C1CCCC(CO)C1 SBB054862 [1,0,0,0,0,0|2,0,0]=3 5 B9R1.8 BrCCC1CCCCN1 SBB018737 [1,0,0,0,0,0|2,0,1]=4 6 B9R1.8 BrCCC1OCCCO1 SBB054748 [1,0,0,0,0,0|2,0,1]=4 7 B9R1.8 CCCC1CCCCN1 SBB017578 [1,0,0,0,0,0|1,0,1]=3 8 B9R1.8 CCCC1CCCCN1 SBB050937 [1,0,0,0,0,0|1,0,1]=3 9 B9R1.8 CCCC1OCCCO1 SBB060994 [1,0,0,0,0,0|1,0,1]=3 10 B9R1.8 CCCN1CCCCC1 SBB061042 [1,0,0,0,0,0|2,0,1]=4 11 B9R1.8 CNCC1COCCO1 SBB002649 [1,0,0,0,0,0|2,0,1]=4 12 B9R1.8 COCC1CCCNC1 SBB050890 [1,0,0,0,0,0|3,0,0]=4 13 B9R1.8 N#CCC1CCCCO1 SBB071717 [1,0,0,0,0,0|1,0,2]=4 14 B9R1.8 NCCC1CCCCC1 SBB051424 [1,0,0,0,0,0|2,0,1]=4 15 B9R1.8 NCCC1CCCCO1 SBB072556 [1,0,0,0,0,0|1,0,1]=3 16 B9R1.8 NCCC1CCCOC1 SBB050548 [1,0,0,0,0,0|3,0,0]=4 17 B9R1.8 OCCC1CCCCN1 SBB027305 [1,0,0,0,0,0|2,0,1]=4 18 B11R1.24 CCCNC1CCCC(C)C1 SBB080101 [0,1,0,0,0,0|2,0,1]=4 19 B11R1.34 CCCC1CC(=O)CC(=O)C1 SBB059705 [0,1,0,0,0,0|1,0,1]=3 20 B9R0.2 CCCCCCCC(=O)Cl SBB060013 [0,0,1,0,0,0|1,0,0]=2 21 B9R0.2 CCCCCCCC(=O)O SBB060020 [0,0,1,0,0,0|0,0,0]=1 22 B9R0.2 CCCCCCCC(C)=O SBB061540 [0,0,1,0,0,0|1,0,0]=2 23 B9R0.2 CCCCCCCC(C)O SBB008521 [0,0,1,0,0,0|1,0,1]=3 24 B9R0.2 CCCCCCCC(N)=O SBB061055 [0,0,1,0,0,0|1,0,0]=2 25 B9R0.2 CCCCCCCN(C)C SBB061364 [0,0,1,0,0,0|3,0,0]=4 26 B9R0.2 CCCCCCNC(N)=S SBB028342 [0,0,1,0,0,0|2,1,0]=4 27 B9R0.2 CCCCCCOC(C)=O SBB060306 [0,0,1,0,0,0|2,0,0]=3 28 B9R0.2 CCCCSCCC(=O)O SBB001705 [0,0,1,0,0,0|1,0,0]=2 29 B9R0.2 COCCNCCC(N)=O SBB116772 [0,0,1,0,0,0|3,0,0]=4 30 B9R0.2 NCCCCCCC(=O)O SBB072673 [0,0,1,0,0,0|1,0,0]=2 31 B9R0.2 O=C(O)CCCCCCO SBB059715 [0,0,1,0,0,0|1,0,0]=2 32 B9R0.2 [NH2+]=C(N)SCCCCCC SBB060417 [0,0,1,0,0,0|3,0,0]=4 33 B9R0.5 C=CCOCC(O)CNC SBB027842 [0,0,1,0,0,0|3,0,0]=4 34 B9R0.5 CCCC#CC(=O)OCC SBB008805 [0,0,1,0,0,0|2,0,1]=4 35 B9R0.5 CCCCCC(=O)CCC SBB005828 [0,0,1,0,0,0|1,0,0]=2 36 B9R0.5 CCCCCC(=O)OCC SBB060316 [0,0,1,0,0,0|2,0,0]=3 37 B9R0.5 CCCCOC(=O)CCC SBB061107 [0,0,1,0,0,0|0,0,0]=1 38 B9R0.5 CCOC(=O)CCCCBr SBB070781 [0,0,1,0,0,0|3,0,0]=4 39 B9R0.14 CCCC(CC)OC(C)=O SBB060029 [0,0,1,0,0,0|0,0,0]=1 40 B11R2.106 O=C1CCNC2CCCC12 SBB002318 [0,0,0,1,0,0|2,0,0]=3 41 B11R2.484 OC12CCCC(CCC1)O2 SBB086253 [0,0,0,1,0,0|0,0,2]=3 42 B9R1.7 CCCC1OCC(C)O1 SBB060973 [0,0,0,0,1,0|2,0,1]=4 43 B9R1.33 CN1CCCC1CCO SBB056164 [0,0,0,0,1,0|3,0,0]=4 44 B9R1.33 NCCN1CCCC1=O SBB300961 [0,0,0,0,1,0|2,0,0]=3 45 B9R1.33 NCCN1CCNC1=O SBB018890 [0,0,0,0,1,0|3,0,0]=4 46 B9R1.33 NN1CCC[C@@H]1COC SBB017518 [0,0,0,0,1,0|3,0,0]=4 47 B9R1.33 NN1CCC[C@H]1COC SBB017520 [0,0,0,0,1,0|3,0,0]=4 48 B9R1.33 O=C1CCCN1CCCl SBB010314 [0,0,0,0,1,0|2,0,0]=3 49 B9R1.33 O=C1NCCN1CCO SBB008288 [0,0,0,0,1,0|3,0,0]=4 50 B9R1.33 O=C1OCCN1CCO SBB007726 [0,0,0,0,1,0|3,0,0]=4 51 B8R0.4 C=CCCCCCCC SBB060474 [1,0,1,0,0,0|1,0,0]=3 52 B8R0.4 CCCCCCCC#N SBB060053 [1,0,1,0,0,0|1,0,1]=4 53 B8R0.4 CCCCCCCC=O SBB059871 [1,0,1,0,0,0|0,0,0]=2 54 B8R0.4 CCCCCCCCBr SBB059937 [1,0,1,0,0,0|1,0,1]=4 55 B8R0.4 CCCCCCCCCl SBB059955 [1,0,1,0,0,0|1,0,1]=4 56 B8R0.4 CCCCCCCCN SBB059986 [1,0,1,0,0,0|1,0,1]=4 57 B8R0.4 CCCCCCCCO SBB059902 [1,0,1,0,0,0|0,0,1]=3 58 B8R0.4 CCCCCCCNC SBB059820 [1,0,1,0,0,0|2,0,0]=4 59 B8R0.4 CCCCCCN=C=O SBB058614 [1,0,1,0,0,0|1,0,1]=4 60 B8R0.4 CCCCCCNC=O SBB061175 [1,0,1,0,0,0|1,0,0]=3 61 B8R0.4 CCCCCCOC=O SBB060302 [1,0,1,0,0,0|1,0,0]=3 62 B8R0.4 CCCCCNCCO SBB059826 [1,0,1,0,0,0|1,0,1]=4 63 B8R0.4 CCCCC\C=C\C=O SBB068337 [1,0,1,0,0,0|0,0,2]=4 64 B8R0.4 CCCCNCCCC SBB059755 [1,0,1,0,0,0|1,0,1]=4 65 B8R0.4 CCCCOCCCC SBB060059 [1,0,1,0,0,0|0,0,1]=3 66 B8R0.4 CCCCOCCCN SBB061718 [1,0,1,0,0,0|1,0,1]=4 67 B8R0.4 CCCCSCCCC SBB060667 [1,0,1,0,0,0|0,1,1]=4 68 B8R0.4 OCCCCCCCBr SBB061558 [1,0,1,0,0,0|1,0,1]=4 69 B8R0.7 C#CCCCCC(=O)O SBB008797 [1,0,1,0,0,0|0,0,2]=4 70 B8R0.7 CCCCCCC(=O)Cl SBB060012 [1,0,1,0,0,0|1,0,0]=3 71 B8R0.7 CCCCCCC(=O)O SBB053587 [1,0,1,0,0,0|0,0,0]=2 72 B8R0.7 CCCCCCC(C)=O SBB060387 [1,0,1,0,0,0|1,0,0]=3 73 B8R0.7 CCCCCCC(C)O SBB059903 [1,0,1,0,0,0|1,0,1]=4 74 B8R0.7 CCCCCOC(C)=O SBB060027 [1,0,1,0,0,0|2,0,0]=4 75 B8R0.7 CCCCSCC(=O)O SBB061205 [1,0,1,0,0,0|1,0,0]=3 76 B8R0.7 CCCNCCC(N)=O SBB116773 [1,0,1,0,0,0|2,0,0]=4 77 B8R0.7 COCCOCC(=O)O SBB008497 [1,0,1,0,0,0|2,0,0]=4 78 B8R0.7 NCCCCCC(=O)O SBB015068 [1,0,1,0,0,0|1,0,0]=3 79 B8R0.7 O=C(O)CCCCCBr SBB065783 [1,0,1,0,0,0|1,0,0]=3 80 B8R0.7 O=C(O)CCNCCO SBB079386 [1,0,1,0,0,0|2,0,0]=4 81 B8R0.1 C=CCOC(=O)CCC SBB061324 [1,0,1,0,0,0|0,0,2]=4 82 B8R0.1 CCCC(=O)OCCCl SBB061294 [1,0,1,0,0,0|1,0,0]=3 83 B8R0.1 CCCCC(=O)OCC SBB061113 [1,0,1,0,0,0|1,0,0]=3 84 B8R0.1 CCCCC(O)CCC SBB059905 [1,0,1,0,0,0|0,0,1]=3 85 B8R0.1 CCCCS(=O)CCO SBB019077 [1,0,1,0,0,0|2,0,0]=4 86 B8R0.1 CCCOC(=O)CCC SBB061105 [1,0,1,0,0,0|0,0,0]=2 87 B8R0.1 CCOC(=O)CCCBr SBB070757 [1,0,1,0,0,0|2,0,0]=4 88 B8R0.1 CCOC(=O)CCCN SBB003878 [1,0,1,0,0,0|2,0,0]=4 89 B8R0.1 O=C(CCS)OCCO SBB008479 [1,0,1,0,0,0|2,0,0]=4 90 B8R0.6 CCCCCC(=O)CC SBB060388 [1,0,1,0,0,0|1,0,0]=3 91 B8R0.6 CCCCCC(=O)OC SBB060591 [1,0,1,0,0,0|2,0,0]=4 92 B8R0.6 CCCCCC(O)CC SBB059904 [1,0,1,0,0,0|1,0,1]=4 93 B8R0.6 CCCCNC(=O)CCl SBB010319 [1,0,1,0,0,0|2,0,0]=4 94 B8R0.6 CCCCOC(=O)CC SBB060578 [1,0,1,0,0,0|0,0,0]=2 95 B8R0.6 CCCCOC(=O)CCl SBB060760 [1,0,1,0,0,0|1,0,0]=3 96 B8R0.6 CCCCOC(=O)CF SBB085867 [1,0,1,0,0,0|1,0,0]=3 97 B8R0.6 CCCCOC(=O)CS SBB061004 [1,0,1,0,0,0|1,0,0]=3 98 B8R0.5 CCCC(C)CC(=O)O SBB061321 [1,0,1,0,0,0|2,0,0]=4 99 B8R0.22 C(=O)N(CCC)CCC SBB008026 [1,0,1,0,0,0|1,0,0]=3 100 B8R0.22 CCCC(C=O)CCC SBB052355 [1,0,1,0,0,0|0,0,0]=2 101 B8R0.19 CCC(=O)OC(=O)CC SBB060267 [1,0,1,0,0,0|1,0,1]=4 102 B8R0.19 CCC(=O)OC(C)CC SBB061103 [1,0,1,0,0,0|0,0,0]=2 103 B8R1.2 BrCC1CCCCO1 SBB054944 [2,0,0,0,0,0|1,0,1]=4 104 B8R1.2 CCC1CCCCC1 SBB061162 [2,0,0,0,0,0|1,0,1]=4 105 B8R1.2 COC1C=CCCC1 SBB060461 [2,0,0,0,0,0|2,0,0]=4 106 B8R1.2 ClCC1CCCCO1 SBB040653 [2,0,0,0,0,0|1,0,1]=4 107 B8R1.2 N1CCCCC1CC SBB004312 [2,0,0,0,0,0|1,0,1]=4 108 B8R1.2 NCC1CCCCO1 SBB085471 [2,0,0,0,0,0|1,0,1]=4 109 B8R1.2 OCC1CCCCO1 SBB008943 [2,0,0,0,0,0|1,0,1]=4 110 B8R1.4 CC1=CC(=O)CCC1 SBB007736 [2,0,0,0,0,0|1,0,1]=4 111 B8R1.4 O=C1CCCC(=O)O1 SBB060010 [2,0,0,0,0,0|1,0,1]=4 112 B10R0.3 CCCC(S)CCOC(C)=O SBB056433 [0,1,1,0,0,0|2,0,0]=4 113 B10R0.4 CCCCCCCCB(O)O SBB071319 [0,1,1,0,0,0|1,0,1]=4 114 B10R0.4 CCCCCCCCC(=O)Cl SBB060014 [0,1,1,0,0,0|1,0,0]=3 115 B10R0.4 CCCCCCCCC(=O)O SBB058693 [0,1,1,0,0,0|0,0,0]=2 116 B10R0.4 CCCCCCCCC(N)=O SBB061053 [0,1,1,0,0,0|1,0,0]=3 117 B10R0.4 CCCCCCCNC(N)=S SBB017692 [0,1,1,0,0,0|1,1,0]=4 118 B10R0.4 CCCCCCCOC(C)=O SBB060307 [0,1,1,0,0,0|1,0,0]=3 119 B10R0.4 CCCCCCNCC(C)O SBB059797 [0,1,1,0,0,0|1,0,1]=4 120 B10R0.4 CCCCOCCOC(C)=O SBB061001 [0,1,1,0,0,0|2,0,0]=4 121 B10R0.4 OC(=O)CCCCCCCN SBB006735 [0,1,1,0,0,0|0,0,0]=2 122 B10R0.4 [NH2+]=C(N)SCCCCCCC SBB056871 [0,1,1,0,0,0|2,0,0]=4 123 B10R0.22 CCCCCCCP(=O)(O)O SBB057478 [0,1,1,0,0,0|1,0,0]=3 124 B10R0.55 COC(=O)CCCCC(=O)O SBB065981 [0,1,1,0,0,0|1,0,1]=4 125 B10R0.74 CCCCCC#CC(=O)OC SBB009081 [0,1,1,0,0,0|0,0,2]=4 126 B10R0.74 CCCCCCCC(=O)NN SBB056838 [0,1,1,0,0,0|1,0,0]=3 127 B10R0.74 CCCCCCCC(=O)OC SBB060592 [0,1,1,0,0,0|0,0,0]=2 128 B10R0.74 CCCCCCCC(C)C=O SBB061221 [0,1,1,0,0,0|1,0,1]=4 129 B10R0.74 CCCCCCNC(=O)CCl SBB017392 [0,1,1,0,0,0|2,0,0]=4 130 B10R0.74 CCCCCCOC(=O)CCl SBB061569 [0,1,1,0,0,0|2,0,0]=4 131 B10R0.74 CCCCCCOC(=O)CS SBB061229 [0,1,1,0,0,0|1,1,0]=4 132 B10R0.75 CCCCCCC(N)C(=O)O SBB058628 [0,1,1,0,0,0|0,0,0]=2 133 B10R0.78 CCCCC(C)CCC(=O)O SBB065822 [0,1,1,0,0,0|0,0,0]=2 134 B10R0.97 O=C(O)CCCCCC(=O)O SBB007898 [0,1,1,0,0,0|1,0,1]=4 135 B10R0.1 CCCCC#CC(=O)OCC SBB008804 [0,1,1,0,0,0|2,0,0]=4 136 B10R0.1 CCCCCCC(=O)OCC SBB061117 [0,1,1,0,0,0|2,0,0]=4 137 B10R0.1 CCCCCOC(=O)CCC SBB060758 [0,1,1,0,0,0|0,0,0]=2 138 B10R0.1 CCOC(=O)CCCCCBr SBB006556 [0,1,1,0,0,0|2,0,0]=4 139 B10R0.2 CCCC(=O)OC(=O)CCC SBB040852 [0,1,1,0,0,0|0,0,1]=3 140 B10R0.19 CCCCC(Br)C(=O)OCC SBB070817 [0,1,1,0,0,0|2,0,0]=4 141 B10R0.24 CCCCCC(CO)CCC SBB043960 [0,1,1,0,0,0|1,0,1]=4 142 B10R0.91 CCCCCC(=O)OCCCl SBB061275 [0,1,1,0,0,0|2,0,0]=4 143 B10R0.91 CCCCOC(=O)CN=C=O SBB048893 [0,1,1,0,0,0|1,0,1]=4 144 B10R0.87 CC(=O)OC(CBr)CCCBr SBB008125 [0,1,1,0,0,0|1,0,0]=3 145 B10R0.44 CC\C(C)=C\C(C)CC(C)C SBB060470 [0,1,1,0,0,0|2,0,0]=4 146 B10R1.1 CCCC1CCC(O)CC1 SBB055278 [1,1,0,0,0,0|1,0,1]=4 147 B10R1.15 CCC(C)C1CCCCC1 SBB061319 [1,1,0,0,0,0|1,0,1]=4 148 B10R1.17 BrCCOC1CCCCO1 SBB070782 [1,1,0,0,0,0|1,0,1]=4 149 B10R1.17 OCCCC1CCCCC1 SBB058808 [1,1,0,0,0,0|1,0,1]=4 150 B10R1.29 O=C1CCCN1CCCO SBB056162 [0,1,0,0,1,0|1,0,0]=3 151 B12R1.17 CCOC(=O)C1CCCC(=O)C1 SBB054035 [0,2,0,0,0,0|1,0,1]=4 152 B12R1.101 CC(C)CC1CC(=O)CC(=O)C1 SBB061949 [0,2,0,0,0,0|1,0,1]=4 153 B10R1.39 CCN1CCCC1C(=O)O SBB046601 [0,0,1,1,0,0|1,0,0]=3 154 B10R1.61 CN1CCCCC1C(=O)O SBB018690 [0,0,1,1,0,0|1,0,0]=3 155 B10R1.66 CC(=O)CCC1CCCO1 SBB017110 [0,0,1,1,0,0|2,0,0]=4 156 B10R1.66 O=C(Cl)CCC1CCCC1 SBB058619 [0,0,1,1,0,0|1,0,0]=3 157 B10R1.66 O=C(O)CCC1CCCC1 SBB040565 [0,0,1,1,0,0|0,0,0]=2 158 B10R1.66 O=C(O)CCC1CCCO1 SBB014220 [0,0,1,1,0,0|1,0,0]=3 159 B10R1.66 O=C(O)CCN1CCCC1 SBB046363 [0,0,1,1,0,0|1,0,0]=3 160 B10R1.78 O=C1CCCCCCCN1 SBB058438 [0,0,1,1,0,0|1,0,0]=3 161 B10R1.348 O=C(O)C1CCCCCC1 SBB008467 [0,0,1,1,0,0|0,0,0]=2 162 B10R1.85 CCCC1OCCCCO1 SBB060980 [0,0,1,1,0,0|0,0,2]=4 163 B10R1.138 CCCC(=O)OC[C@H]1CO1 SBB086343 [0,0,1,1,0,0|1,0,0]=3 164 B10R1.27 O=C(CBr)NC1CCCC1 SBB080105 [0,0,1,1,0,0|2,0,0]=4 165 B10R1.27 O=C(CCl)NC1CCCC1 SBB042522 [0,0,1,1,0,0|2,0,0]=4 166 B10R1.27 O=C(CCl)OC1CCCC1 SBB060738 [0,0,1,1,0,0|1,0,0]=3 167 B10R1.429 CC1(NC(=O)CCl)CCC1 SBB072071 [0,0,1,1,0,0|2,0,0]=4 168 B10R2.62 O=C1CN2CCC1CC2 SBB056219 [1,0,0,1,0,0|2,0,0]=4 169 B10R2.62 O=C1CN2CCC1CC2 SBB080572 [1,0,0,1,0,0|2,0,0]=4 170 B12R2.1081 O=C1CCCC2CCCCC12 SBB061657 [0,1,0,1,0,0|1,0,0]=3 171 B12R2.1081 [C@@H]12CCCC[C@H]1C(=O)CCN2 SBB001866 [0,1,0,1,0,0|2,0,0]=4 172 B12R2.2899 C=C1CC2CC(=O)CC(C1)C2 SBB083983 [0,1,0,1,0,0|1,0,1]=4 173 B8R0.15 CCOC(CC)C(N)=O SBB116764 [0,0,1,0,1,0|2,0,0]=4 174 B8R0.3 COC(=O)C(C)CCCl SBB054131 [0,0,1,0,1,0|2,0,0]=4 175 B8R1.1 CCC1COC(=O)O1 SBB008625 [1,0,0,0,1,0|1,0,0]=3 176 B8R1.1 O=C1CCC(CCl)O1 SBB074378 [1,0,0,0,1,0|1,0,0]=3 177 B8R1.1 OC[C@@H]1CCC(=O)N1 SBB004302 [1,0,0,0,1,0|2,0,0]=4 178 B8R1.8 BrCCC1OCCO1 SBB070738 [1,0,0,0,1,0|2,0,0]=4 179 B8R1.8 CCCC1OCCO1 SBB060981 [1,0,0,0,1,0|1,0,0]=3 180 B8R1.8 CCCC1OCCS1 SBB056724 [1,0,0,0,1,0|1,0,0]=3 181 B8R1.8 COC[C@@H]1CCCN1 SBB006442 [1,0,0,0,1,0|2,0,0]=4 182 B8R1.8 N#CCC1CCCO1 SBB018702 [1,0,0,0,1,0|1,0,1]=4 183 B8R1.8 NCCC1CCCC1 SBB072011 [1,0,0,0,1,0|1,0,1]=4 184 B8R1.8 OCCC1CCCC1 SBB008459 [1,0,0,0,1,0|1,0,1]=4