0 B8R0.6 C#CCCCC(=O)OC SY275105 [0,0,0,0,0,0|1,0,1]=2 1 B8R0.6 CCC\C=C\C(=O)OC SY015809 [0,0,0,0,0,0|1,0,2]=3 2 B8R0.6 CCNCCC(=O)OC SY019881 [0,0,0,0,0,0|2,0,0]=2 3 B8R0.6 CNCCCC(=O)NN SY289472 [0,0,0,0,0,0|3,0,0]=3 4 B8R0.6 COC(=O)CCCC#N SY025759 [0,0,0,0,0,0|2,0,0]=2 5 B8R0.6 COC(=O)CCCC=O SY056793 [0,0,0,0,0,0|2,0,0]=2 6 B8R0.6 COC(=O)CCCCBr SY013898 [0,0,0,0,0,0|2,0,0]=2 7 B8R0.6 COC(=O)CCCCN SY117564 [0,0,0,0,0,0|2,0,0]=2 8 B8R0.6 COCCCC(=O)OC SY096667 [0,0,0,0,0,0|0,1,0]=1 9 B8R0.6 C\C=C\C=C\C(=O)OC SY115509 [0,0,0,0,0,0|1,0,3]=4 10 B7R0.1 CCCCCCON SY281668 [1,0,0,0,0,0|2,0,1]=4 11 B7R0.1 CCCCCCON SY281669 [1,0,0,0,0,0|2,0,1]=4 12 B7R0.3 C#CCCC(=O)OC SY057491 [1,0,0,0,0,0|0,0,2]=3 13 B7R0.3 CCC(=O)OCCO SY301488 [1,0,0,0,0,0|2,1,0]=4 14 B7R0.3 CCCCC(=O)NN SY078868 [1,0,0,0,0,0|2,0,0]=3 15 B7R0.3 CCCCN(C)CC SY311327 [1,0,0,0,0,0|3,0,0]=4 16 B7R0.3 CNC(=O)CCCO SY126228 [1,0,0,0,0,0|1,1,0]=3 17 B7R0.3 CNCCC(=O)NC SY029107 [1,0,0,0,0,0|2,0,0]=3 18 B7R0.3 CNCCC(=O)OC SY019690 [1,0,0,0,0,0|1,0,0]=2 19 B7R0.3 COC(=O)C=CCBr SY007768 [1,0,0,0,0,0|1,0,2]=4 20 B7R0.3 COC(=O)CCC#N SY012328 [1,0,0,0,0,0|1,0,1]=3 21 B7R0.3 COC(=O)CCCBr SY011922 [1,0,0,0,0,0|1,0,0]=2 22 B7R0.3 COC(=O)CCCI SY110660 [1,0,0,0,0,0|1,0,0]=2 23 B7R0.3 COC(=O)CCCN SY058513 [1,0,0,0,0,0|1,0,0]=2 24 B7R0.3 COC(=O)CCCO SY268958 [1,0,0,0,0,0|0,1,0]=2 25 B7R0.3 COC(=O)\C=C\CBr SY112634 [1,0,0,0,0,0|1,0,2]=4 26 B7R0.3 COC=CC(=O)OC SY012690 [1,0,0,0,0,0|0,1,2]=4 27 B7R0.4 C#CCCCC(=O)O SY026710 [1,0,0,0,0,0|1,0,1]=3 28 B7R0.4 C=CCCCC(=O)O SY050075 [1,0,0,0,0,0|1,0,1]=3 29 B7R0.4 CC(=O)OCCCCl SY106444 [1,0,0,0,0,0|3,0,0]=4 30 B7R0.4 CCCCCC(N)=O SY051726 [1,0,0,0,0,0|2,0,0]=3 31 B7R0.4 CCCCC[N+](=O)[O-] SY266558 [1,0,0,0,0,0|2,0,1]=4 32 B7R0.4 CCCOCC(=O)O SY025048 [1,0,0,0,0,0|2,0,0]=3 33 B7R0.4 CNCCCC(=O)O SY032531 [1,0,0,0,0,0|1,0,0]=2 34 B7R0.4 COCCCC(=O)O SY045907 [1,0,0,0,0,0|0,1,0]=2 35 B7R0.4 COCCC[N+](=O)[O-] SY266522 [1,0,0,0,0,0|1,1,1]=4 36 B7R0.4 N#CCCCC(=O)O SY008532 [1,0,0,0,0,0|2,0,0]=3 37 B7R0.4 NC(=O)CCCCBr SY253590 [1,0,0,0,0,0|3,0,0]=4 38 B7R0.4 NC(=O)CCCCCl SY184285 [1,0,0,0,0,0|3,0,0]=4 39 B7R0.4 NCCCCC(=O)O SY002964 [1,0,0,0,0,0|2,0,0]=3 40 B7R0.4 NCCCCC(N)=O SY247757 [1,0,0,0,0,0|3,0,0]=4 41 B7R0.4 O=C(Cl)CCCCF SY270893 [1,0,0,0,0,0|3,0,0]=4 42 B7R0.4 O=C(O)CCCCCl SY051600 [1,0,0,0,0,0|2,0,0]=3 43 B7R0.4 O=C(O)CCCCS SY141369 [1,0,0,0,0,0|2,0,0]=3 44 B7R0.4 O=C(O)COCCCl SY030518 [1,0,0,0,0,0|3,0,0]=4 45 B7R0.4 O=C([O-])CCCCO SY019284 [1,0,0,0,0,0|2,0,1]=4 46 B7R0.4 [N-]=[N+]=NCCC(=O)O SY142459 [1,0,0,0,0,0|3,0,0]=4 47 B9R0.1 COC(=O)CCCC(=O)O SY029949 [0,1,0,0,0,0|2,0,0]=3 48 B9R0.1 COC(=O)CCCC(C)=O SY113736 [0,1,0,0,0,0|1,0,0]=2 49 B9R0.1 COC(=O)CCC[N+](=O)[O-] SY103838 [0,1,0,0,0,0|2,0,0]=3 50 B9R0.5 C#CCCCC(=N)OCC SY294769 [0,1,0,0,0,0|2,0,1]=4 51 B9R0.5 CCOC(=O)CCCC#N SY025760 [0,1,0,0,0,0|2,0,0]=3 52 B9R0.5 CCOC(=O)CCCCBr SY002795 [0,1,0,0,0,0|2,0,0]=3 53 B9R0.5 CCOC(=O)COCCCl SY105048 [0,1,0,0,0,0|3,0,0]=4 54 B9R0.5 CCOC(=O)COCCI SY272402 [0,1,0,0,0,0|3,0,0]=4 55 B9R0.8 C=CCOC(C)C(=O)OC SY250114 [0,1,0,0,0,0|2,0,1]=4 56 B9R0.8 CCCCC(Br)C(=O)OC SY052225 [0,1,0,0,0,0|1,0,0]=2 57 B9R0.8 CNC(=O)C(Br)CCCBr SY045971 [0,1,0,0,0,0|3,0,0]=4 58 B9R0.8 COC(=O)[C@@H](N)CCCN SY066394 [0,1,0,0,0,0|2,0,0]=3 59 B9R0.8 COC(=O)[C@H](N)CCSC SY066424 [0,1,0,0,0,0|0,0,0]=1 60 B9R0.24 CCC(=O)CCC(=O)OC SY270772 [0,1,0,0,0,0|1,0,1]=3 61 B9R0.24 COC(=O)CCC(=O)CBr SY034031 [0,1,0,0,0,0|2,0,1]=4 62 B9R0.24 COC(=O)CCC(=O)CN SY023721 [0,1,0,0,0,0|2,0,1]=4 63 B9R0.24 COC(=O)CNC(=O)OC SY238214 [0,1,0,0,0,0|1,1,1]=4 64 B9R0.34 CCCC(=O)CC(=O)OC SY017840 [0,1,0,0,0,0|1,0,1]=3 65 B9R0.34 COCC(=O)CC(=O)OC SY009587 [0,1,0,0,0,0|0,1,1]=3 66 B9R0.46 COC(=O)CCCCC=O SY042645 [0,1,0,0,0,0|1,0,1]=3 67 B9R0.46 COC(=O)CCCCCBr SY018348 [0,1,0,0,0,0|1,0,0]=2 68 B9R0.46 COC(=O)CCCCCN SY025881 [0,1,0,0,0,0|1,0,0]=2 69 B9R0.46 COC(=O)CCCCCO SY201227 [0,1,0,0,0,0|1,0,0]=2 70 B9R0.46 COC(=O)CCNCCO SY031365 [0,1,0,0,0,0|2,0,0]=3 71 B9R0.46 COC(=O)COCCCBr SY231297 [0,1,0,0,0,0|2,0,0]=3 72 B9R0.46 COCCCCC(=O)OC SY263824 [0,1,0,0,0,0|0,1,0]=2 73 B9R0.47 CCCCOC(=O)[C@H](C)N SY030056 [0,1,0,0,0,0|3,0,0]=4 74 B9R1.1 C#CC1CCC(=O)CC1 SY285261 [0,0,0,1,0,0|2,0,1]=4 75 B9R1.1 CCN1CCC(=O)CC1 SY001787 [0,0,0,1,0,0|3,0,0]=4 76 B9R1.1 COC1CCC(=O)CC1 SY022709 [0,0,0,1,0,0|1,1,0]=3 77 B9R1.1 N#CC1CCC(=O)CC1 SY008433 [0,0,0,1,0,0|3,0,0]=4 78 B9R1.1 O=C1CCC(CO)CN1 SY111877 [0,0,0,1,0,0|3,0,0]=4 79 B9R1.2 COC1=CCCN(C)C1 SY030660 [0,0,0,1,0,0|2,0,1]=4 80 B9R1.3 CC1C(=O)CCCC1=O SY036390 [0,0,0,1,0,0|3,0,0]=4 81 B9R1.5 CN1CCNCCC1=O SY040462 [0,0,0,1,0,0|3,0,0]=4 82 B9R1.5 CN1CCNCCC1=O SY066105 [0,0,0,1,0,0|3,0,0]=4 83 B9R1.5 O=C1CCCCCC1=O SY274002 [0,0,0,1,0,0|3,0,0]=4 84 B9R1.7 CCC[C@H]1COC(=O)C1 SY039698 [0,0,0,1,0,0|1,0,0]=2 85 B9R1.11 COC(=O)C1=CCCC1 SY017441 [0,0,0,1,0,0|1,0,2]=4 86 B9R1.11 COC(=O)C1CCCC1 SY049570 [0,0,0,1,0,0|1,0,0]=2 87 B9R1.11 COC(=O)C1CCCN1 SY033211 [0,0,0,1,0,0|2,0,0]=3 88 B9R1.11 COC(=O)C1CCNC1 SY008084 [0,0,0,1,0,0|1,0,0]=2 89 B9R1.11 COC(=O)C1CCOC1 SY042132 [0,0,0,1,0,0|0,1,0]=2 90 B9R1.11 COC(=O)[C@@H]1CCCN1 SY005778 [0,0,0,1,0,0|2,0,0]=3 91 B9R1.11 COC(=O)[C@@H]1CCNC1 SY097075 [0,0,0,1,0,0|1,0,0]=2 92 B9R1.11 COC(=O)[C@@H]1CCNC1 SY122122 [0,0,0,1,0,0|1,0,0]=2 93 B9R1.11 COC(=O)[C@H]1CCCN1 SY018101 [0,0,0,1,0,0|2,0,0]=3 94 B9R1.11 COC(=O)[C@H]1CCNC1 SY105039 [0,0,0,1,0,0|1,0,0]=2 95 B9R1.49 CN1CCCC(=O)CC1 SY002715 [0,0,0,1,0,0|2,0,0]=3 96 B9R1.49 CN1CCNC(=O)CC1 SY022083 [0,0,0,1,0,0|3,0,0]=4 97 B9R1.50 O=C1CCCCCCN1 SY012301 [0,0,0,1,0,0|2,0,0]=3 98 B9R1.79 COC(=O)CC1COC1 SY097597 [0,0,0,1,0,0|0,1,0]=2 99 B9R1.80 COC(=O)C#CC1CC1 SY214173 [0,0,0,1,0,0|1,0,2]=4 100 B6R0.6 CCCCCON SY281671 [2,0,0,0,0,0|1,0,1]=4 101 B6R0.6 CCCCCON SY281672 [2,0,0,0,0,0|1,0,1]=4 102 B6R0.6 CNCCCCO SY117259 [2,0,0,0,0,0|1,0,1]=4 103 B6R0.6 COCCCCCl SY015495 [2,0,0,0,0,0|1,0,1]=4 104 B6R0.6 COCCCNN SY048087 [2,0,0,0,0,0|2,0,0]=4 105 B6R0.6 COCCCON SY201326 [2,0,0,0,0,0|1,1,0]=4 106 B6R0.6 COCCCON SY281583 [2,0,0,0,0,0|1,1,0]=4 107 B6R0.6 C\C=C\CCCO SY066633 [2,0,0,0,0,0|1,1,0]=4 108 B6R0.6 O=CCCCCCl SY024458 [2,0,0,0,0,0|2,0,0]=4 109 B6R0.6 O=CCCCCO SY047027 [2,0,0,0,0,0|2,0,0]=4 110 B6R0.1 C=CCC(=O)OC SY025883 [2,0,0,0,0,0|0,0,2]=4 111 B6R0.1 CC#CC(=O)OC SY012646 [2,0,0,0,0,0|0,0,2]=4 112 B6R0.1 CCC(=O)COC SY190908 [2,0,0,0,0,0|1,1,0]=4 113 B6R0.1 CCCC(=O)NN SY060413 [2,0,0,0,0,0|2,0,0]=4 114 B6R0.1 CNC(=O)CCO SY083761 [2,0,0,0,0,0|1,1,0]=4 115 B6R0.1 COC(=O)CCBr SY002337 [2,0,0,0,0,0|1,0,0]=3 116 B6R0.1 COC(=O)CCN SY004831 [2,0,0,0,0,0|1,0,0]=3 117 B6R0.1 COC(=O)CCO SY008913 [2,0,0,0,0,0|0,1,0]=3 118 B6R0.1 COC(=O)OCCl SY047554 [2,0,0,0,0,0|2,0,0]=4 119 B6R0.4 CC(=O)CCCO SY002852 [2,0,0,0,0,0|0,1,0]=3 120 B6R0.4 CC(=O)NCCN SY313725 [2,0,0,0,0,0|2,0,0]=4 121 B6R0.4 CCCCB(O)O SY012742 [2,0,0,0,0,0|1,0,1]=4 122 B6R0.4 CCCCC(=N)N SY020380 [2,0,0,0,0,0|2,0,0]=4 123 B6R0.4 CCCCC(=N)N SY020382 [2,0,0,0,0,0|2,0,0]=4 124 B6R0.4 CCCOC(N)=O SY114484 [2,0,0,0,0,0|2,0,0]=4 125 B6R0.4 CNCCC(=O)O SY005345 [2,0,0,0,0,0|1,0,0]=3 126 B6R0.4 CNCCC(=O)O SY112486 [2,0,0,0,0,0|1,0,0]=3 127 B6R0.4 COCCC(=O)O SY028921 [2,0,0,0,0,0|0,1,0]=3 128 B6R0.4 N#CCCC(=O)O SY008516 [2,0,0,0,0,0|1,0,1]=4 129 B6R0.4 NCCCC(N)=O SY174709 [2,0,0,0,0,0|2,0,0]=4 130 B6R0.4 O=C(O)CCCBr SY001501 [2,0,0,0,0,0|1,0,0]=3 131 B8R0.4 COCCCCCCBr SY040480 [1,1,0,0,0,0|1,0,1]=4 132 B8R0.3 CNC(=O)C(Br)CCBr SY300500 [1,1,0,0,0,0|2,0,0]=4 133 B8R0.3 CNCC(Br)C(=O)OC SY290771 [1,1,0,0,0,0|1,0,0]=3 134 B8R0.3 CNC[C@H](N)C(=O)OC SY248365 [1,1,0,0,0,0|1,0,0]=3 135 B8R0.3 COC(=O)C(Br)CCBr SY017663 [1,1,0,0,0,0|1,0,0]=3 136 B8R0.9 CCC(=O)NCC(C)C SY034683 [1,1,0,0,0,0|2,0,0]=4 137 B8R0.9 COC(=O)CCC(=O)O SY009523 [1,1,0,0,0,0|0,1,1]=4 138 B8R0.9 COC(=O)CCC(C)=O SY048239 [1,1,0,0,0,0|0,0,1]=3 139 B8R0.9 COC(=O)CCS(=O)[O-] SY106186 [1,1,0,0,0,0|1,0,1]=4 140 B8R0.9 COC(=O)CC[N+](=O)[O-] SY266571 [1,1,0,0,0,0|1,1,0]=4 141 B8R0.9 COC(=O)\C=C\C(C)C SY263740 [1,1,0,0,0,0|0,0,2]=4 142 B8R0.19 CCC(=O)CC(=O)OC SY007180 [1,1,0,0,0,0|0,0,1]=3 143 B8R0.19 COC(=O)C[C@H](O)CO SY018663 [1,1,0,0,0,0|0,1,0]=3 144 B8R0.21 COCCCS(=O)(=O)O SY011651 [1,1,0,0,0,0|1,1,0]=4 145 B8R0.28 CC(=O)CCCC(=O)O SY015106 [1,1,0,0,0,0|1,0,0]=3 146 B8R0.28 CC(=O)CCCC(C)=O SY253771 [1,1,0,0,0,0|1,0,0]=3 147 B8R0.28 CC(=O)CCCN(C)C SY147772 [1,1,0,0,0,0|1,0,0]=3 148 B8R0.28 CC(=O)NCCC(=O)O SY025089 [1,1,0,0,0,0|2,0,0]=4 149 B8R0.28 CN(C)CCCC(=O)O SY058453 [1,1,0,0,0,0|1,0,0]=3 150 B8R0.28 O=C(O)CCCC(=O)O SY029948 [1,1,0,0,0,0|2,0,0]=4 151 B10R0.3 CCOC(=O)CCCC(=O)O SY036401 [0,2,0,0,0,0|2,0,0]=4 152 B10R0.3 CCOC(=O)CCCC(C)=O SY033235 [0,2,0,0,0,0|1,0,0]=3 153 B10R0.3 CCOC(=O)CCC[N+](=O)[O-] SY262834 [0,2,0,0,0,0|2,0,0]=4 154 B10R0.57 CNC(=O)[C@@H](N)CCC(C)C SY290103 [0,2,0,0,0,0|2,0,0]=4 155 B10R0.57 COC(=O)[C@@H](N)CCC(=O)O SY060386 [0,2,0,0,0,0|2,0,0]=4 156 B10R0.82 COC(=O)CC[C@@H](N)C(=O)O SY066550 [0,2,0,0,0,0|2,0,0]=4 157 B10R0.82 COC(=O)CC[C@H](N)C(=O)O SY003851 [0,2,0,0,0,0|2,0,0]=4 158 B10R0.1 C=CCCCCC(=O)OCC SY284682 [0,2,0,0,0,0|1,0,1]=4 159 B10R0.1 CCOC(=O)CCCCCO SY116371 [0,2,0,0,0,0|1,0,0]=3 160 B10R0.1 CCOC(=O)CNCCC#N SY030325 [0,2,0,0,0,0|2,0,0]=4 161 B10R0.1 CCOC(=O)COCCCCl SY238334 [0,2,0,0,0,0|2,0,0]=4 162 B10R0.2 CCCC(O)CC(=O)OCC SY048396 [0,2,0,0,0,0|1,0,0]=3 163 B10R0.2 CCOC(=O)CC(O)CC#N SY264234 [0,2,0,0,0,0|2,0,0]=4 164 B10R0.2 CCOC(=O)C[C@@H](O)CC#N SY109487 [0,2,0,0,0,0|2,0,0]=4 165 B10R0.2 CCOC(=O)C[C@H](O)CC#N SY007879 [0,2,0,0,0,0|2,0,0]=4 166 B10R0.19 C=CCCC(N)C(=O)OCC SY207571 [0,2,0,0,0,0|1,0,1]=4 167 B10R0.83 COC(=O)C(N)CCCCO SY028578 [0,2,0,0,0,0|1,0,0]=3 168 B10R0.46 COC(=O)CC(N)C(=O)OC SY029746 [0,2,0,0,0,0|0,1,1]=4 169 B10R0.46 COC(=O)C[C@@H](N)C(=O)OC SY039685 [0,2,0,0,0,0|0,1,1]=4 170 B10R0.124 C=CCCC(C)(C)C(=O)OC SY263054 [0,2,0,0,0,0|1,0,1]=4 171 B10R0.18 C#CCCC(=O)CC(=O)OC SY103833 [0,2,0,0,0,0|1,0,1]=4 172 B10R0.18 COCCC(=O)CC(=O)OC SY003567 [0,2,0,0,0,0|0,1,0]=3 173 B10R0.55 COC(=O)CCCCC(=O)O SY020964 [0,2,0,0,0,0|1,0,1]=4 174 B10R0.55 COC(=O)CCCCC(C)=O SY046102 [0,2,0,0,0,0|1,0,0]=3 175 B10R0.55 COC(=O)CCCC[N+](=O)[O-] SY266561 [0,2,0,0,0,0|2,0,0]=4 176 B10R0.74 COC(=O)CCCCCCBr SY030923 [0,2,0,0,0,0|1,0,0]=3 177 B10R0.74 COC(=O)CCCCCCN SY027249 [0,2,0,0,0,0|1,0,0]=3 178 B8R1.2 COC1CCCNC1 SY041935 [1,0,0,1,0,0|1,0,1]=4 179 B8R1.2 COC1CCCNC1 SY104362 [1,0,0,1,0,0|1,0,1]=4 180 B8R1.2 CO[C@H]1CCCNC1 SY098191 [1,0,0,1,0,0|1,0,1]=4 181 B8R1.49 C1=CCCCCCC1 SY010202 [1,0,0,1,0,0|2,0,0]=4 182 B8R1.1 CCC1CCC(=O)O1 SY015382 [1,0,0,1,0,0|2,0,0]=4 183 B8R1.1 NCC1COC(=O)N1 SY040257 [1,0,0,1,0,0|2,0,0]=4 184 B8R1.1 O=C1CC(CBr)CN1 SY205276 [1,0,0,1,0,0|2,0,0]=4 185 B8R1.1 O=C1CC(CO)CN1 SY008749 [1,0,0,1,0,0|1,1,0]=4 186 B8R1.1 O=C1NC(CO)CO1 SY038213 [1,0,0,1,0,0|1,1,0]=4 187 B8R1.1 O=C1N[C@@H](CO)CO1 SY284529 [1,0,0,1,0,0|1,1,0]=4 188 B8R1.1 O=C1N[C@H](CO)CO1 SY251331 [1,0,0,1,0,0|1,1,0]=4 189 B8R1.1 O=C1OCC(CO)O1 SY037075 [1,0,0,1,0,0|1,1,0]=4 190 B8R1.3 CC1C=CC(=O)CC1 SY100224 [1,0,0,1,0,0|1,0,1]=4 191 B8R1.3 CC1CNC(=O)CO1 SY032981 [1,0,0,1,0,0|2,0,0]=4 192 B8R1.3 NC1CCC(=O)CC1 SY017243 [1,0,0,1,0,0|2,0,0]=4 193 B8R1.3 NC1CCC(=O)NC1 SY022821 [1,0,0,1,0,0|2,0,0]=4 194 B8R1.3 N[C@@H]1CCC(=O)NC1 SY036453 [1,0,0,1,0,0|2,0,0]=4 195 B8R1.3 O=C1CCC(Br)CC1 SY275581 [1,0,0,1,0,0|2,0,0]=4 196 B8R1.3 O=C1CCC(O)CC1 SY005938 [1,0,0,1,0,0|1,1,0]=4 197 B8R1.3 O=C1CCC(O)CN1 SY034611 [1,0,0,1,0,0|1,1,0]=4 198 B8R1.3 O=C1CC[C@H](O)CN1 SY107535 [1,0,0,1,0,0|1,1,0]=4 199 B8R1.38 CNC(=O)C1CNC1 SY156287 [1,0,0,1,0,0|2,0,0]=4 200 B8R1.38 COC(=N)C1CCC1 SY300137 [1,0,0,1,0,0|1,0,0]=3 201 B8R1.38 COC(=O)C1CCN1 SY013593 [1,0,0,1,0,0|1,0,0]=3 202 B8R1.38 COC(=O)C1CNC1 SY015501 [1,0,0,1,0,0|1,0,0]=3 203 B8R1.38 COC(=O)C1COC1 SY099187 [1,0,0,1,0,0|0,1,0]=3 204 B8R1.50 CN1C(=O)CCC1O SY040014 [1,0,0,1,0,0|1,1,0]=4 205 B8R1.4 CC1=CC(=O)CCC1 SY011435 [1,0,0,1,0,0|1,0,1]=4 206 B8R1.4 CC1CCCC(=O)N1 SY033090 [1,0,0,1,0,0|2,0,0]=4 207 B8R1.4 CC1CCCC(=O)O1 SY048899 [1,0,0,1,0,0|1,0,0]=3 208 B8R1.4 CC1CCNC(=O)C1 SY033089 [1,0,0,1,0,0|2,0,0]=4 209 B8R1.4 CN1CCCC(=O)C1 SY023480 [1,0,0,1,0,0|1,0,0]=3 210 B8R1.4 C[C@@H]1CC(=O)CCN1 SY259242 [1,0,0,1,0,0|2,0,0]=4 211 B8R1.4 C[C@H]1CC(=O)CCN1 SY234011 [1,0,0,1,0,0|2,0,0]=4 212 B8R1.4 C[C@H]1CCCC(=O)C1 SY290780 [1,0,0,1,0,0|1,0,0]=3 213 B8R1.4 O=C1CCCC(=O)C1 SY004453 [1,0,0,1,0,0|2,0,0]=4 214 B8R1.7 CC(=O)C1CCCC1 SY035519 [1,0,0,1,0,0|1,0,0]=3 215 B8R1.7 NC(=O)[C@@H]1CCNC1 SY010578 [1,0,0,1,0,0|2,0,0]=4 216 B8R1.7 NC(=O)[C@H]1CCNC1 SY008249 [1,0,0,1,0,0|2,0,0]=4 217 B8R1.7 NC(=O)[C@H]1CCNC1 SY024593 [1,0,0,1,0,0|2,0,0]=4 218 B8R1.7 O=C(Cl)C1CCOC1 SY211383 [1,0,0,1,0,0|1,1,0]=4 219 B8R1.7 O=C(O)C1CC=CC1 SY003813 [1,0,0,1,0,0|1,0,1]=4 220 B8R1.7 O=C(O)C1CCCN1 SY006205 [1,0,0,1,0,0|2,0,0]=4 221 B8R1.7 O=C(O)C1CCNC1 SY008997 [1,0,0,1,0,0|1,0,0]=3 222 B8R1.7 O=C(O)C1CCOC1 SY031543 [1,0,0,1,0,0|0,1,0]=3 223 B8R1.7 O=C(O)[C@@H]1CCCN1 SY001305 [1,0,0,1,0,0|2,0,0]=4 224 B8R1.7 O=C(O)[C@@H]1CCCO1 SY016392 [1,0,0,1,0,0|2,0,0]=4 225 B8R1.7 O=C(O)[C@@H]1CCNC1 SY010178 [1,0,0,1,0,0|1,0,0]=3 226 B8R1.7 O=C(O)[C@@H]1CCOC1 SY016391 [1,0,0,1,0,0|0,1,0]=3 227 B8R1.7 O=C(O)[C@H]1CCCN1 SY001352 [1,0,0,1,0,0|2,0,0]=4 228 B8R1.7 O=C(O)[C@H]1CCNC1 SY010177 [1,0,0,1,0,0|1,0,0]=3 229 B8R1.7 O=C(O)[C@H]1CCOC1 SY016390 [1,0,0,1,0,0|0,1,0]=3 230 B8R1.34 O=C(O)CC1CCC1 SY011888 [1,0,0,1,0,0|1,0,0]=3 231 B8R1.34 O=C(O)CC1COC1 SY025445 [1,0,0,1,0,0|0,1,0]=3 232 B8R1.35 O=C(O)CCC1CC1 SY042777 [1,0,0,1,0,0|1,0,0]=3 233 B10R1.13 CN(C)C1CCC(=O)CC1 SY017445 [0,1,0,1,0,0|2,0,0]=4 234 B10R1.14 COC(=O)C1CCC(=O)C1 SY009632 [0,1,0,1,0,0|1,0,0]=3 235 B10R1.14 COC(=O)C1CCC(=O)N1 SY018512 [0,1,0,1,0,0|2,0,0]=4 236 B10R1.14 COC(=O)C1CCC(N)C1 SY021245 [0,1,0,1,0,0|1,0,0]=3 237 B10R1.14 COC(=O)C1CNC(=O)C1 SY013060 [0,1,0,1,0,0|1,0,1]=4 238 B10R1.14 COC(=O)[C@@H]1C=C[C@H](N)C1 SY273580 [0,1,0,1,0,0|1,0,1]=4 239 B10R1.14 COC(=O)[C@@H]1C=C[C@H](N)C1 SY274014 [0,1,0,1,0,0|1,0,1]=4 240 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 SY005968 [0,1,0,1,0,0|2,0,0]=4 241 B10R1.14 COC(=O)[C@@H]1CC[C@H](N)C1 SY029550 [0,1,0,1,0,0|1,0,0]=3 242 B10R1.14 COC(=O)[C@@H]1C[C@@H](F)CN1 SY038599 [0,1,0,1,0,0|2,0,0]=4 243 B10R1.14 COC(=O)[C@@H]1C[C@@H](O)CN1 SY004227 [0,1,0,1,0,0|2,0,0]=4 244 B10R1.14 COC(=O)[C@@H]1C[C@@H](O)CN1 SY264919 [0,1,0,1,0,0|2,0,0]=4 245 B10R1.14 COC(=O)[C@@H]1C[C@H](C)CN1 SY246556 [0,1,0,1,0,0|2,0,0]=4 246 B10R1.14 COC(=O)[C@@H]1C[C@H](F)CN1 SY010390 [0,1,0,1,0,0|2,0,0]=4 247 B10R1.14 COC(=O)[C@@H]1C[C@H](O)CN1 SY020138 [0,1,0,1,0,0|2,0,0]=4 248 B10R1.14 COC(=O)[C@H]1CCC(=O)N1 SY005901 [0,1,0,1,0,0|2,0,0]=4 249 B10R1.14 COC(=O)[C@H]1C[C@@H](O)CN1 SY020555 [0,1,0,1,0,0|2,0,0]=4 250 B10R1.14 COC(=O)[C@H]1C[C@H](O)CN1 SY022109 [0,1,0,1,0,0|2,0,0]=4 251 B10R1.54 CC(C)C[C@H]1COC(=O)N1 SY037850 [0,1,0,1,0,0|2,0,0]=4 252 B10R1.153 COC(=O)CCNC1CC1 SY029092 [0,1,0,1,0,0|1,0,0]=3 253 B10R1.408 COC(=O)[C@@H]1C[C@H]1C(=O)O SY235872 [0,1,0,1,0,0|2,0,0]=4 254 B10R1.10 CCCC1CCNC(=O)C1 SY263160 [0,1,0,1,0,0|2,0,0]=4 255 B10R1.11 CCOC(=O)C1CCC=N1 SY129444 [0,1,0,1,0,0|2,0,0]=4 256 B10R1.11 CCOC(=O)C1CCNC1 SY007200 [0,1,0,1,0,0|1,0,0]=3 257 B10R1.11 CCOC(=O)[C@@H]1CCNC1 SY010181 [0,1,0,1,0,0|1,0,0]=3 258 B10R1.11 CCOC(=O)[C@@H]1CCNC1 SY011941 [0,1,0,1,0,0|1,0,0]=3 259 B10R1.11 CCOC(=O)[C@H]1CCNC1 SY010179 [0,1,0,1,0,0|1,0,0]=3 260 B10R1.78 O=C1CCCCCCCC1 SY129777 [0,1,0,1,0,0|2,0,0]=4 261 B10R1.135 CCOC(=O)C1CC1CO SY121160 [0,1,0,1,0,0|2,0,0]=4 262 B10R1.135 CCOC(=O)[C@@H]1C[C@@H]1CO SY260281 [0,1,0,1,0,0|2,0,0]=4 263 B10R1.137 CCOC(=O)CC1CCC1 SY240747 [0,1,0,1,0,0|1,0,0]=3 264 B10R1.15 CCC(=O)N1CCCNC1 SY263177 [0,1,0,1,0,0|2,0,0]=4 265 B10R1.15 CNC(=O)C1CCCNC1 SY027847 [0,1,0,1,0,0|2,0,0]=4 266 B10R1.15 COC(=O)C1=CCCCC1 SY057598 [0,1,0,1,0,0|1,0,1]=4 267 B10R1.15 COC(=O)C1=CCCNC1 SY040268 [0,1,0,1,0,0|1,0,1]=4 268 B10R1.15 COC(=O)C1=CCNCC1 SY023222 [0,1,0,1,0,0|1,0,1]=4 269 B10R1.15 COC(=O)C1=CNCCC1 SY027256 [0,1,0,1,0,0|1,0,1]=4 270 B10R1.15 COC(=O)C1=COCCC1 SY027899 [0,1,0,1,0,0|0,1,1]=4 271 B10R1.15 COC(=O)C1CCCCN1 SY021148 [0,1,0,1,0,0|1,0,0]=3 272 B10R1.15 COC(=O)C1CCCCN1 SY023681 [0,1,0,1,0,0|1,0,0]=3 273 B10R1.15 COC(=O)C1CCCCO1 SY005329 [0,1,0,1,0,0|1,0,0]=3 274 B10R1.15 COC(=O)C1CCCNC1 SY003160 [0,1,0,1,0,0|1,0,0]=3 275 B10R1.15 COC(=O)C1CCCNC1 SY005351 [0,1,0,1,0,0|1,0,0]=3 276 B10R1.15 COC(=O)C1CCNCC1 SY004301 [0,1,0,1,0,0|1,0,0]=3 277 B10R1.15 COC(=O)C1CCOCC1 SY004400 [0,1,0,1,0,0|0,1,0]=3 278 B10R1.15 COC(=O)C1CCSCC1 SY019841 [0,1,0,1,0,0|0,0,0]=2 279 B10R1.15 COC(=O)C1CNCCN1 SY020413 [0,1,0,1,0,0|1,0,0]=3 280 B10R1.15 COC(=O)C1CNCCO1 SY023260 [0,1,0,1,0,0|1,0,0]=3 281 B10R1.15 COC(=O)C1CNCCO1 SY066084 [0,1,0,1,0,0|1,0,0]=3 282 B10R1.15 COC(=O)C1COCCN1 SY003800 [0,1,0,1,0,0|0,1,0]=3 283 B10R1.15 COC(=O)C1COCCN1 SY046365 [0,1,0,1,0,0|0,1,0]=3 284 B10R1.15 COC(=O)N1CCNCC1 SY063877 [0,1,0,1,0,0|2,0,0]=4 285 B10R1.15 COC(=O)N1CCOCC1 SY026328 [0,1,0,1,0,0|1,1,0]=4 286 B10R1.15 COC(=O)[C@@H]1CCCCN1 SY030915 [0,1,0,1,0,0|1,0,0]=3 287 B10R1.15 COC(=O)[C@@H]1CCCNC1 SY042324 [0,1,0,1,0,0|1,0,0]=3 288 B10R1.15 COC(=O)[C@@H]1CCCNN1 SY285280 [0,1,0,1,0,0|2,0,0]=4 289 B10R1.15 COC(=O)[C@@H]1COCCN1 SY015551 [0,1,0,1,0,0|0,1,0]=3 290 B10R1.15 COC(=O)[C@@H]1COCCN1 SY018524 [0,1,0,1,0,0|0,1,0]=3 291 B10R1.15 COC(=O)[C@H]1CCCCN1 SY066252 [0,1,0,1,0,0|1,0,0]=3 292 B10R1.15 COC(=O)[C@H]1CCCNC1 SY107600 [0,1,0,1,0,0|1,0,0]=3 293 B10R1.15 COC(=O)[C@H]1COCCN1 SY015552 [0,1,0,1,0,0|0,1,0]=3 294 B10R1.169 COC(=O)C1CC(CN)C1 SY029404 [0,1,0,1,0,0|2,0,0]=4 295 B10R1.169 COC(=O)C1CC(CO)C1 SY097358 [0,1,0,1,0,0|2,0,0]=4 296 B10R1.182 COC(=O)C(N)C1COC1 SY280680 [0,1,0,1,0,0|0,1,0]=3 297 B10R1.411 COC(=O)C1(C)CCCO1 SY013677 [0,1,0,1,0,0|2,0,0]=4 298 B10R1.411 COC(=O)C1(N)CCCC1 SY017501 [0,1,0,1,0,0|1,0,0]=3 299 B10R1.27 COC(=O)C[C@@H]1CCCN1 SY113516 [0,1,0,1,0,0|1,0,0]=3 300 B10R1.27 COC(=O)C[C@H]1CCCN1 SY254065 [0,1,0,1,0,0|1,0,0]=3 301 B10R1.134 COC(=O)CC(=O)C1CC1 SY001027 [0,1,0,1,0,0|1,0,1]=4 302 B10R1.149 COC(=O)C1CCCC1=O SY006366 [0,1,0,1,0,0|1,0,1]=4 303 B10R1.149 COC(=O)C1CCCC1O SY017799 [0,1,0,1,0,0|1,0,0]=3 304 B10R1.149 COC(=O)C1CNCC1C SY271637 [0,1,0,1,0,0|1,0,0]=3 305 B10R1.149 COC(=O)C1CSCC1=O SY029389 [0,1,0,1,0,0|0,0,1]=3 306 B10R1.149 COC(=O)C1SCCC1=O SY028006 [0,1,0,1,0,0|2,0,0]=4 307 B10R1.149 COC(=O)[C@@H]1CCCN1C SY119631 [0,1,0,1,0,0|1,0,0]=3 308 B10R1.149 COC(=O)[C@@H]1CCC[C@@H]1N SY021243 [0,1,0,1,0,0|1,0,0]=3 309 B10R1.149 COC(=O)[C@@H]1CCC[C@@H]1N SY030101 [0,1,0,1,0,0|1,0,0]=3 310 B10R1.149 COC(=O)[C@@H]1CNC[C@@H]1O SY236575 [0,1,0,1,0,0|1,0,0]=3 311 B10R1.149 COC(=O)[C@H]1NCC[C@@H]1O SY100020 [0,1,0,1,0,0|2,0,0]=4 312 B10R1.1 CCCC1CCC(=O)CC1 SY009654 [0,1,0,1,0,0|2,0,0]=4 313 B10R1.16 CCCCC1CCC(=O)O1 SY015123 [0,1,0,1,0,0|2,0,0]=4 314 B10R1.175 COC(=O)C1CCC1CO SY262916 [0,1,0,1,0,0|1,0,0]=3 315 B10R2.178 O=C1NCC2CCC1C2 SY288304 [0,0,0,2,0,0|2,0,0]=4 316 B10R2.2 [C@@H]12COC[C@H]1CC(=O)C2 SY270453 [0,0,0,2,0,0|1,1,0]=4 317 B10R2.332 O=C1CCC2(COC2)C1 SY278070 [0,0,0,2,0,0|1,1,0]=4 318 B10R2.332 O=C1NC2(CCC2)CO1 SY260681 [0,0,0,2,0,0|2,0,0]=4