0 B7R0.1 C#CCCCCCCl SY220544 [0,0,0,0,0,0|1,0,2]=3 1 B7R0.1 C#CCCCCCO SY021685 [0,0,0,0,0,0|0,0,2]=2 2 B7R0.1 C=CCCCCNC SY047447 [0,0,0,0,0,0|2,0,1]=3 3 B7R0.1 C=CCCCCON SY281584 [0,0,0,0,0,0|2,0,2]=4 4 B7R0.1 C=CCCCCON SY281585 [0,0,0,0,0,0|2,0,2]=4 5 B7R0.1 CCCCCCON SY281668 [0,0,0,0,0,0|2,0,0]=2 6 B7R0.1 CCCCCCON SY281669 [0,0,0,0,0,0|2,0,0]=2 7 B7R0.1 CNCCNCCO SY300938 [0,0,0,0,0,0|2,0,0]=2 8 B7R0.1 COCCOCCBr SY049757 [0,0,0,0,0,0|3,0,0]=3 9 B7R0.1 COCCOCCN SY042959 [0,0,0,0,0,0|3,0,0]=3 10 B7R0.1 COCOCCC#N SY028246 [0,0,0,0,0,0|3,0,1]=4 11 B7R0.1 COCOCCC=O SY027733 [0,0,0,0,0,0|2,0,2]=4 12 B7R0.1 ClCCCCCCBr SY049099 [0,0,0,0,0,0|2,0,0]=2 13 B7R0.1 ClCCCCCCI SY049747 [0,0,0,0,0,0|2,0,0]=2 14 B7R0.1 NCCCCCCO SY003099 [0,0,0,0,0,0|1,0,0]=1 15 B7R0.1 NCCSSCCN SY012856 [0,0,0,0,0,0|4,0,0]=4 16 B7R0.1 NCC[Se][Se]CCN SY120950 [0,0,0,0,0,0|4,0,0]=4 17 B7R0.1 OCCCCCCBr SY017128 [0,0,0,0,0,0|1,0,0]=1 18 B7R0.1 OCCCCCCCl SY001629 [0,0,0,0,0,0|1,0,0]=1 19 B7R0.1 OCCOCCCBr SY250091 [0,0,0,0,0,0|2,0,0]=2 20 B6R0.6 BrCCCCCBr SY004544 [1,0,0,0,0,0|2,0,0]=3 21 B6R0.6 BrCCNCCBr SY018108 [1,0,0,0,0,0|3,0,0]=4 22 B6R0.6 C#CCCCCI SY047667 [1,0,0,0,0,0|1,0,2]=4 23 B6R0.6 C#CCCCCN SY069749 [1,0,0,0,0,0|1,0,2]=4 24 B6R0.6 C#CCCCCO SY020332 [1,0,0,0,0,0|0,0,2]=3 25 B6R0.6 C=CCCCCO SY020861 [1,0,0,0,0,0|0,0,2]=3 26 B6R0.6 CCCCCNN SY048085 [1,0,0,0,0,0|2,0,0]=3 27 B6R0.6 CCCCCON SY281671 [1,0,0,0,0,0|2,0,0]=3 28 B6R0.6 CCCCCON SY281672 [1,0,0,0,0,0|2,0,0]=3 29 B6R0.6 CCCCOCCl SY264650 [1,0,0,0,0,0|2,0,0]=3 30 B6R0.6 CCNCCCO SY023800 [1,0,0,0,0,0|1,0,0]=2 31 B6R0.6 CCOCCNN SY048091 [1,0,0,0,0,0|3,0,0]=4 32 B6R0.6 CNCCCCO SY117259 [1,0,0,0,0,0|1,0,0]=2 33 B6R0.6 COCCCCCl SY015495 [1,0,0,0,0,0|2,0,0]=3 34 B6R0.6 COCCCNN SY048087 [1,0,0,0,0,0|3,0,0]=4 35 B6R0.6 COCCCON SY201326 [1,0,0,0,0,0|3,0,0]=4 36 B6R0.6 COCCCON SY281583 [1,0,0,0,0,0|3,0,0]=4 37 B6R0.6 COCOCCN SY250694 [1,0,0,0,0,0|3,0,0]=4 38 B6R0.6 C\C=C\CCCO SY066633 [1,0,0,0,0,0|0,0,2]=3 39 B6R0.6 ClCCCCCBr SY048983 [1,0,0,0,0,0|2,0,0]=3 40 B6R0.6 ICCCCCI SY048751 [1,0,0,0,0,0|2,0,0]=3 41 B6R0.6 N#CCCCCCl SY004990 [1,0,0,0,0,0|2,0,1]=4 42 B6R0.6 N#CCCCCN SY040472 [1,0,0,0,0,0|2,0,1]=4 43 B6R0.6 NCCCCCO SY049614 [1,0,0,0,0,0|1,0,0]=2 44 B6R0.6 NCCOCCBr SY261989 [1,0,0,0,0,0|3,0,0]=4 45 B6R0.6 NCCOCCN SY052726 [1,0,0,0,0,0|3,0,0]=4 46 B6R0.6 O=CCCCCCl SY024458 [1,0,0,0,0,0|1,0,2]=4 47 B6R0.6 O=CCCCCO SY047027 [1,0,0,0,0,0|1,0,1]=3 48 B6R0.6 O=CNCCCO SY261924 [1,0,0,0,0,0|2,0,1]=4 49 B6R0.6 OCCCCCCl SY050042 [1,0,0,0,0,0|1,0,0]=2 50 B6R0.6 OCCOCCBr SY145932 [1,0,0,0,0,0|2,0,0]=3 51 B8R0.1 C#CCCC(=O)CCO SY106323 [0,1,0,0,0,0|0,0,3]=4 52 B8R0.1 CCOC(=O)CCCI SY014641 [0,1,0,0,0,0|2,0,1]=4 53 B8R0.1 CCOC(=O)CCCN SY015028 [0,1,0,0,0,0|2,0,1]=4 54 B8R0.1 CCOC(=O)CCCO SY263197 [0,1,0,0,0,0|1,0,1]=3 55 B8R0.4 BrCC#CCCCCBr SY265118 [0,1,0,0,0,0|1,0,2]=4 56 B8R0.4 BrCCCCCCCBr SY050897 [0,1,0,0,0,0|1,0,0]=2 57 B8R0.4 C#CCCCCCCO SY051403 [0,1,0,0,0,0|0,0,1]=2 58 B8R0.4 C=CCCCCCCBr SY032409 [0,1,0,0,0,0|1,0,1]=3 59 B8R0.4 C=CCCCCCON SY281734 [0,1,0,0,0,0|0,0,2]=3 60 B8R0.4 C=CCCCCCON SY281735 [0,1,0,0,0,0|0,0,2]=3 61 B8R0.4 CCCCCCCON SY281820 [0,1,0,0,0,0|0,0,0]=1 62 B8R0.4 CCCCCCCON SY281821 [0,1,0,0,0,0|0,0,0]=1 63 B8R0.4 CCCCOCCC#N SY016496 [0,1,0,0,0,0|1,0,1]=3 64 B8R0.4 CCOCCNCCN SY301811 [0,1,0,0,0,0|2,0,0]=3 65 B8R0.4 COCCCCCCBr SY040480 [0,1,0,0,0,0|1,0,0]=2 66 B8R0.4 COCCOCCON SY281837 [0,1,0,0,0,0|2,0,0]=3 67 B8R0.4 COCCOCCON SY281838 [0,1,0,0,0,0|2,0,0]=3 68 B8R0.4 ClCCCCCCCCl SY055886 [0,1,0,0,0,0|1,0,0]=2 69 B8R0.4 ClCCCOCCCCl SY116045 [0,1,0,0,0,0|2,0,0]=3 70 B8R0.4 OCCCCCCCBr SY019463 [0,1,0,0,0,0|0,0,0]=1 71 B8R0.4 OCCCCCCCO SY010789 [0,1,0,0,0,0|0,0,0]=1 72 B8R0.4 OCCCOCCCO SY116704 [0,1,0,0,0,0|1,0,0]=2 73 B8R0.6 C#C[C@@H](O)CCCCC SY029413 [0,1,0,0,0,0|1,0,1]=3 74 B8R0.6 COC(=O)CCCCBr SY013898 [0,1,0,0,0,0|2,0,1]=4 75 B8R0.6 COC(=O)CCCCN SY117564 [0,1,0,0,0,0|2,0,1]=4 76 B8R0.6 N#CC(O)CCCCO SY028469 [0,1,0,0,0,0|1,0,1]=3 77 B8R0.7 C#CCCCCC(=O)O SY021705 [0,1,0,0,0,0|0,0,3]=4 78 B8R0.7 CC(=O)OCCCCBr SY048653 [0,1,0,0,0,0|2,0,1]=4 79 B8R0.7 CC(=O)OCCCCO SY294143 [0,1,0,0,0,0|1,0,1]=3 80 B8R0.7 CC(=O)SCCCCN SY290150 [0,1,0,0,0,0|2,0,1]=4 81 B8R0.7 CC(C)NCCCCO SY054140 [0,1,0,0,0,0|1,0,0]=2 82 B8R0.7 CCCCCCB(O)O SY017961 [0,1,0,0,0,0|1,0,0]=2 83 B8R0.7 CCCCCC[C@@H](C)O SY038272 [0,1,0,0,0,0|0,0,0]=1 84 B8R0.7 CCCCCC[N+](=O)[O-] SY266557 [0,1,0,0,0,0|1,0,1]=3 85 B8R0.7 CCCCOCC(=O)O SY002472 [0,1,0,0,0,0|1,0,1]=3 86 B8R0.7 CCNCCCN(C)C SY023941 [0,1,0,0,0,0|3,0,0]=4 87 B8R0.7 CN(C)CCCCC#N SY041202 [0,1,0,0,0,0|2,0,1]=4 88 B8R0.7 CN(C)CCCCCN SY040702 [0,1,0,0,0,0|2,0,0]=3 89 B8R0.7 CN(C)CCNCCO SY270833 [0,1,0,0,0,0|2,0,0]=3 90 B8R0.7 COCCCC[N+](=O)[O-] SY266559 [0,1,0,0,0,0|2,0,1]=4 91 B8R0.7 COCCOCC(=O)O SY035294 [0,1,0,0,0,0|2,0,1]=4 92 B8R0.7 NC(=O)CCCCCBr SY103908 [0,1,0,0,0,0|1,0,2]=4 93 B8R0.7 NC(=O)CCCCCO SY247977 [0,1,0,0,0,0|1,0,1]=3 94 B8R0.7 NCCCCCC(=O)O SY003109 [0,1,0,0,0,0|1,0,1]=3 95 B8R0.7 NCCCCCC(N)=O SY247974 [0,1,0,0,0,0|1,0,2]=4 96 B8R0.7 NCCCCOC(F)F SY272229 [0,1,0,0,0,0|3,0,0]=4 97 B8R0.7 O=C(O)CCCCCCl SY053214 [0,1,0,0,0,0|1,0,1]=3 98 B8R0.7 O=C(O)CCCCCO SY032043 [0,1,0,0,0,0|1,0,1]=3 99 B8R0.7 O=C(O)CCOCCBr SY273001 [0,1,0,0,0,0|2,0,1]=4 100 B8R0.7 O=C(O)CCOCCO SY293391 [0,1,0,0,0,0|2,0,1]=4 101 B8R0.7 O=C([O-])CCCCCO SY121174 [0,1,0,0,0,0|1,0,1]=3 102 B8R0.7 O=[N+]([O-])CCCCCBr SY266569 [0,1,0,0,0,0|2,0,1]=4 103 B8R0.7 O=[N+]([O-])CCCCCCl SY266512 [0,1,0,0,0,0|2,0,1]=4 104 B8R0.7 O=[N+]([O-])CCCCCO SY266588 [0,1,0,0,0,0|2,0,0]=3 105 B8R1.2 BrCC1CCCNC1 SY029332 [0,0,0,1,0,0|2,0,0]=3 106 B8R1.2 BrCC1CCNCC1 SY007097 [0,0,0,1,0,0|2,0,0]=3 107 B8R1.2 BrCC1CCNCC1 SY029312 [0,0,0,1,0,0|2,0,0]=3 108 B8R1.2 BrCC1CCOCC1 SY002686 [0,0,0,1,0,0|2,0,0]=3 109 B8R1.2 BrC[C@@H]1COCCO1 SY274810 [0,0,0,1,0,0|2,0,0]=3 110 B8R1.2 C#CC1CCCOC1 SY259701 [0,0,0,1,0,0|2,0,1]=4 111 B8R1.2 C#CC1CCNCC1 SY097779 [0,0,0,1,0,0|2,0,1]=4 112 B8R1.2 C#CC1CCOCC1 SY097241 [0,0,0,1,0,0|2,0,1]=4 113 B8R1.2 C#CC1CNCCO1 SY284821 [0,0,0,1,0,0|1,0,2]=4 114 B8R1.2 CNC1CCNCC1 SY016945 [0,0,0,1,0,0|3,0,0]=4 115 B8R1.2 CNC1CCNCC1 SY016946 [0,0,0,1,0,0|3,0,0]=4 116 B8R1.2 CNC1CCOCC1 SY013416 [0,0,0,1,0,0|3,0,0]=4 117 B8R1.2 CNC1CCOCC1 SY016841 [0,0,0,1,0,0|3,0,0]=4 118 B8R1.2 COC1CCCNC1 SY041935 [0,0,0,1,0,0|3,0,0]=4 119 B8R1.2 COC1CCCNC1 SY104362 [0,0,0,1,0,0|3,0,0]=4 120 B8R1.2 COC1CCNCC1 SY003146 [0,0,0,1,0,0|3,0,0]=4 121 B8R1.2 COC1CCNCC1 SY020458 [0,0,0,1,0,0|3,0,0]=4 122 B8R1.2 CO[C@H]1CCCNC1 SY098191 [0,0,0,1,0,0|3,0,0]=4 123 B8R1.2 ClCC1CCNCC1 SY029313 [0,0,0,1,0,0|2,0,0]=3 124 B8R1.2 ICC1CCCCC1 SY027725 [0,0,0,1,0,0|1,0,0]=2 125 B8R1.2 ICC1CCNCC1 SY029333 [0,0,0,1,0,0|2,0,0]=3 126 B8R1.2 ICC1CCOCC1 SY041962 [0,0,0,1,0,0|2,0,0]=3 127 B8R1.2 N#CC1CCCNC1 SY004324 [0,0,0,1,0,0|2,0,1]=4 128 B8R1.2 N#CC1CCNCC1 SY002496 [0,0,0,1,0,0|2,0,1]=4 129 B8R1.2 N#CC1CCOCC1 SY021355 [0,0,0,1,0,0|2,0,1]=4 130 B8R1.2 N#CC1CCSCC1 SY019840 [0,0,0,1,0,0|2,0,1]=4 131 B8R1.2 N#CC1CNCCO1 SY114773 [0,0,0,1,0,0|2,0,1]=4 132 B8R1.2 NCC1CCCCC1 SY001137 [0,0,0,1,0,0|1,0,0]=2 133 B8R1.2 NCC1CCCCO1 SY003242 [0,0,0,1,0,0|1,0,0]=2 134 B8R1.2 NCC1CCCOC1 SY020076 [0,0,0,1,0,0|2,0,0]=3 135 B8R1.2 NCC1CCOCC1 SY001214 [0,0,0,1,0,0|2,0,0]=3 136 B8R1.2 NCC1CNCCO1 SY005409 [0,0,0,1,0,0|2,0,0]=3 137 B8R1.2 NCC1COCCO1 SY035253 [0,0,0,1,0,0|2,0,0]=3 138 B8R1.2 NC[C@@H]1COCCO1 SY044998 [0,0,0,1,0,0|2,0,0]=3 139 B8R1.2 NC[C@H]1COCCO1 SY035251 [0,0,0,1,0,0|2,0,0]=3 140 B8R1.2 NNC1CCOCC1 SY010716 [0,0,0,1,0,0|3,0,0]=4 141 B8R1.2 NNC1CCOCC1 SY023220 [0,0,0,1,0,0|3,0,0]=4 142 B8R1.2 NOC1CCCCO1 SY004632 [0,0,0,1,0,0|2,0,0]=3 143 B8R1.2 O=CC1CCCCN1 SY239012 [0,0,0,1,0,0|1,0,2]=4 144 B8R1.2 O=CC1CCSCC1 SY014498 [0,0,0,1,0,0|1,0,2]=4 145 B8R1.2 O=CC1COCCO1 SY277014 [0,0,0,1,0,0|2,0,1]=4 146 B8R1.2 OCC1CC=CCC1 SY036929 [0,0,0,1,0,0|0,0,2]=3 147 B8R1.2 OCC1CCC=CO1 SY051074 [0,0,0,1,0,0|1,0,2]=4 148 B8R1.2 OCC1CCCCC1 SY002783 [0,0,0,1,0,0|0,0,0]=1 149 B8R1.2 OCC1CCCCN1 SY009271 [0,0,0,1,0,0|1,0,0]=2 150 B8R1.2 OCC1CCCCO1 SY003220 [0,0,0,1,0,0|1,0,0]=2 151 B8R1.2 OCC1CCOCC1 SY002701 [0,0,0,1,0,0|1,0,0]=2 152 B8R1.2 OCC1CCSCC1 SY019602 [0,0,0,1,0,0|1,0,0]=2 153 B8R1.2 OCC1CNCCO1 SY107412 [0,0,0,1,0,0|2,0,0]=3 154 B8R1.2 OCC1COCCN1 SY003798 [0,0,0,1,0,0|2,0,0]=3 155 B8R1.2 OCC1COCCO1 SY019310 [0,0,0,1,0,0|2,0,0]=3 156 B8R1.2 OC[C@@H]1CCCCN1 SY105311 [0,0,0,1,0,0|1,0,0]=2 157 B8R1.2 OC[C@@H]1CCCNC1 SY067329 [0,0,0,1,0,0|1,0,0]=2 158 B8R1.2 OC[C@@H]1CCCNC1 SY068903 [0,0,0,1,0,0|1,0,0]=2 159 B8R1.2 OC[C@@H]1CNCCO1 SY029745 [0,0,0,1,0,0|2,0,0]=3 160 B8R1.2 OC[C@@H]1CNCCO1 SY129054 [0,0,0,1,0,0|2,0,0]=3 161 B8R1.2 OC[C@@H]1COCCN1 SY022551 [0,0,0,1,0,0|2,0,0]=3 162 B8R1.2 OC[C@@H]1COCCN1 SY029258 [0,0,0,1,0,0|2,0,0]=3 163 B8R1.2 OC[C@@H]1COCCO1 SY033160 [0,0,0,1,0,0|2,0,0]=3 164 B8R1.2 OC[C@H]1CCC=CO1 SY257768 [0,0,0,1,0,0|1,0,2]=4 165 B8R1.2 OC[C@H]1CCCNC1 SY027077 [0,0,0,1,0,0|1,0,0]=2 166 B8R1.2 OC[C@H]1CCCNC1 SY069039 [0,0,0,1,0,0|1,0,0]=2 167 B8R1.2 OC[C@H]1CNCCO1 SY024785 [0,0,0,1,0,0|2,0,0]=3 168 B8R1.2 OC[C@H]1CNCCO1 SY102185 [0,0,0,1,0,0|2,0,0]=3 169 B8R1.2 OC[C@H]1COCCN1 SY024782 [0,0,0,1,0,0|2,0,0]=3 170 B8R1.2 OC[C@H]1COCCO1 SY033161 [0,0,0,1,0,0|2,0,0]=3 171 B8R1.2 ON=C1CCCCC1 SY011165 [0,0,0,1,0,0|1,0,1]=3 172 B8R1.2 [C-]#[N+]C1CCOCC1 SY263033 [0,0,0,1,0,0|3,0,0]=4 173 B8R1.5 CC1CCCCC1N SY001916 [0,0,0,1,0,0|1,0,0]=2 174 B8R1.5 CC1CNCCN1C SY016183 [0,0,0,1,0,0|3,0,0]=4 175 B8R1.5 CC1COCCC1=O SY023092 [0,0,0,1,0,0|1,0,2]=4 176 B8R1.5 C[C@@H]1CCCC[C@@H]1N SY037542 [0,0,0,1,0,0|1,0,0]=2 177 B8R1.5 C[C@@H]1CNCCN1C SY033048 [0,0,0,1,0,0|3,0,0]=4 178 B8R1.5 C[C@@H]1NCCN[C@@H]1C SY274005 [0,0,0,1,0,0|3,0,0]=4 179 B8R1.5 C[C@@H]1NCCN[C@H]1C SY275439 [0,0,0,1,0,0|3,0,0]=4 180 B8R1.5 C[C@H]1CCCC[C@H]1N SY037541 [0,0,0,1,0,0|1,0,0]=2 181 B8R1.5 C[C@H]1CNCCN1C SY023797 [0,0,0,1,0,0|3,0,0]=4 182 B8R1.5 N[C@@H]1CCCC[C@@H]1O SY046252 [0,0,0,1,0,0|1,0,0]=2 183 B8R1.5 N[C@@H]1CCCC[C@H]1N SY001269 [0,0,0,1,0,0|2,0,0]=3 184 B8R1.5 N[C@@H]1CCCC[C@H]1N SY076505 [0,0,0,1,0,0|2,0,0]=3 185 B8R1.5 N[C@@H]1CCCC[C@H]1O SY026108 [0,0,0,1,0,0|1,0,0]=2 186 B8R1.5 N[C@@H]1CCCC[C@H]1O SY026111 [0,0,0,1,0,0|1,0,0]=2 187 B8R1.5 N[C@@H]1CCCC[C@H]1O SY026112 [0,0,0,1,0,0|1,0,0]=2 188 B8R1.5 N[C@@H]1CCCC[C@H]1O SY127907 [0,0,0,1,0,0|1,0,0]=2 189 B8R1.5 N[C@@H]1CCOC[C@H]1F SY099041 [0,0,0,1,0,0|3,0,0]=4 190 B8R1.5 N[C@@H]1CCOC[C@H]1O SY259261 [0,0,0,1,0,0|2,0,0]=3 191 B8R1.5 N[C@@H]1COCC[C@H]1O SY044939 [0,0,0,1,0,0|2,0,0]=3 192 B8R1.5 N[C@H]1CCCC[C@@H]1N SY004140 [0,0,0,1,0,0|2,0,0]=3 193 B8R1.5 N[C@H]1CCCC[C@@H]1O SY026110 [0,0,0,1,0,0|1,0,0]=2 194 B8R1.5 N[C@H]1CCCC[C@@H]1O SY026117 [0,0,0,1,0,0|1,0,0]=2 195 B8R1.5 N[C@H]1CCCC[C@H]1O SY014948 [0,0,0,1,0,0|1,0,0]=2 196 B8R1.5 N[C@H]1CCOC[C@@H]1O SY241084 [0,0,0,1,0,0|2,0,0]=3 197 B8R1.5 O=C1CCCCC1Cl SY038921 [0,0,0,1,0,0|1,0,2]=4 198 B8R1.5 O=C1NCCCC1O SY110845 [0,0,0,1,0,0|2,0,1]=4 199 B8R1.5 OC1CCOCC1F SY099042 [0,0,0,1,0,0|2,0,0]=3 200 B8R1.5 O[C@@H]1CCCC[C@H]1O SY019731 [0,0,0,1,0,0|1,0,0]=2 201 B8R1.5 O[C@@H]1CCCC[C@H]1S SY268159 [0,0,0,1,0,0|1,0,0]=2 202 B8R1.5 O[C@@H]1CCNC[C@H]1F SY043299 [0,0,0,1,0,0|2,0,0]=3 203 B8R1.5 O[C@@H]1CNCC[C@H]1F SY038539 [0,0,0,1,0,0|2,0,0]=3 204 B8R1.5 O[C@@H]1CNNC[C@H]1O SY263540 [0,0,0,1,0,0|3,0,0]=4 205 B8R1.5 O[C@@H]1CSSC[C@H]1O SY274619 [0,0,0,1,0,0|3,0,0]=4 206 B8R1.8 BrCCN1CCCC1 SY040483 [0,0,0,1,0,0|2,0,0]=3 207 B8R1.8 C#CCN1CCCC1 SY102558 [0,0,0,1,0,0|2,0,1]=4 208 B8R1.8 C#CCN1CCCC1 SY146717 [0,0,0,1,0,0|2,0,1]=4 209 B8R1.8 CCO[C@@H]1CCNC1 SY011689 [0,0,0,1,0,0|3,0,0]=4 210 B8R1.8 CCO[C@H]1CCNC1 SY108177 [0,0,0,1,0,0|3,0,0]=4 211 B8R1.8 CNCC1CCNC1 SY294056 [0,0,0,1,0,0|3,0,0]=4 212 B8R1.8 COCC1CCCN1 SY122813 [0,0,0,1,0,0|2,0,0]=3 213 B8R1.8 COC[C@H]1CCCN1 SY013140 [0,0,0,1,0,0|2,0,0]=3 214 B8R1.8 ClCCC1CCCC1 SY036243 [0,0,0,1,0,0|1,0,0]=2 215 B8R1.8 ClCCN1CCCC1 SY013128 [0,0,0,1,0,0|2,0,0]=3 216 B8R1.8 N#CCN1CCCC1 SY017301 [0,0,0,1,0,0|2,0,1]=4 217 B8R1.8 NCCC1OCCO1 SY052592 [0,0,0,1,0,0|2,0,0]=3 218 B8R1.8 O=CCN1CCCC1 SY263315 [0,0,0,1,0,0|1,0,2]=4 219 B8R1.8 OCCC1CCCC1 SY032290 [0,0,0,1,0,0|0,0,0]=1 220 B8R1.11 C#CC1CCCC1O SY007474 [0,0,0,1,0,0|0,0,2]=3 221 B8R1.11 C#CC1CCCN1C SY277506 [0,0,0,1,0,0|2,0,1]=4 222 B8R1.11 C#C[C@@H]1CCC[C@@H]1O SY224509 [0,0,0,1,0,0|0,0,2]=3 223 B8R1.11 C#C[C@@H]1CCC[C@H]1O SY122583 [0,0,0,1,0,0|0,0,2]=3 224 B8R1.11 CN1CCCC1CN SY065143 [0,0,0,1,0,0|2,0,0]=3 225 B8R1.11 CN1CCC[C@@H]1CO SY023398 [0,0,0,1,0,0|1,0,0]=2 226 B8R1.11 CN1CCC[C@H]1CO SY004710 [0,0,0,1,0,0|1,0,0]=2 227 B8R1.11 CO[C@@H]1CNC[C@@H]1F SY124372 [0,0,0,1,0,0|3,0,0]=4 228 B8R1.11 NC1CCCC1CO SY284162 [0,0,0,1,0,0|1,0,0]=2 229 B8R1.11 NCC1CCCC1=O SY158694 [0,0,0,1,0,0|1,0,2]=4 230 B8R1.11 NCC1CCCC1N SY043206 [0,0,0,1,0,0|2,0,0]=3 231 B8R1.11 NCC1CCCC1O SY188444 [0,0,0,1,0,0|1,0,0]=2 232 B8R1.11 OC[C@@H]1CNC[C@H]1O SY277380 [0,0,0,1,0,0|2,0,0]=3 233 B8R1.11 OC[C@@H]1CNC[C@H]1O SY277519 [0,0,0,1,0,0|2,0,0]=3 234 B8R1.11 OC[C@@H]1CNC[C@H]1O SY277520 [0,0,0,1,0,0|2,0,0]=3 235 B8R1.22 CC1CCNCCN1 SY033449 [0,0,0,1,0,0|2,0,0]=3 236 B8R1.22 CC1CNCCCO1 SY124393 [0,0,0,1,0,0|1,0,0]=2 237 B8R1.22 CN1CCCNCC1 SY002818 [0,0,0,1,0,0|3,0,0]=4 238 B8R1.22 FC1CNCCNC1 SY264756 [0,0,0,1,0,0|3,0,0]=4 239 B8R1.22 N[C@H]1CCCNCC1 SY280406 [0,0,0,1,0,0|2,0,0]=3 240 B8R1.22 O=C1CCCCNC1 SY040205 [0,0,0,1,0,0|1,0,2]=4 241 B8R1.22 O=C1CCCNCC1 SY017922 [0,0,0,1,0,0|1,0,2]=4 242 B8R1.22 O=C1CCCOCC1 SY036485 [0,0,0,1,0,0|1,0,2]=4 243 B8R1.22 OC1CCCOCC1 SY036492 [0,0,0,1,0,0|1,0,0]=2 244 B8R1.36 C#CCOCC1CO1 SY051004 [0,0,0,1,0,0|1,0,2]=4 245 B8R1.36 ClCCOCC1CO1 SY284587 [0,0,0,1,0,0|2,0,0]=3 246 B8R1.36 OCCNCC1CC1 SY033845 [0,0,0,1,0,0|1,0,0]=2 247 B8R1.49 C1=CCCCCCC1 SY010202 [0,0,0,1,0,0|1,0,1]=3 248 B8R1.49 C1CNCCCNC1 SY300849 [0,0,0,1,0,0|2,0,0]=3 249 B8R1.49 C1CNCCCNC1 SY307739 [0,0,0,1,0,0|2,0,0]=3 250 B5R0.2 C#CCCCO SY007472 [2,0,0,0,0,0|0,0,2]=4 251 B5R0.2 CCC#CCO SY048461 [2,0,0,0,0,0|0,0,2]=4 252 B5R0.2 CCCCNN SY048097 [2,0,0,0,0,0|2,0,0]=4 253 B5R0.2 CCCCON SY013356 [2,0,0,0,0,0|2,0,0]=4 254 B5R0.2 CCCCON SY019069 [2,0,0,0,0,0|2,0,0]=4 255 B5R0.2 CNCCSC SY020435 [2,0,0,0,0,0|2,0,0]=4 256 B5R0.2 ClCCCCI SY049669 [2,0,0,0,0,0|2,0,0]=4 257 B5R0.2 ICCCCI SY037746 [2,0,0,0,0,0|2,0,0]=4 258 B5R0.2 NCCCCBr SY113500 [2,0,0,0,0,0|2,0,0]=4 259 B5R0.2 NCCCCN SY004150 [2,0,0,0,0,0|2,0,0]=4 260 B5R0.2 NCCCCO SY001196 [2,0,0,0,0,0|1,0,0]=3 261 B5R0.2 NOCCCO SY204344 [2,0,0,0,0,0|2,0,0]=4 262 B5R0.2 NOCCCO SY281570 [2,0,0,0,0,0|2,0,0]=4 263 B7R0.3 CCC(=O)OCCO SY301488 [1,1,0,0,0,0|1,0,1]=4 264 B7R0.3 CCCCC(O)CO SY049796 [1,1,0,0,0,0|0,0,0]=2 265 B7R0.3 CCCCN(C)CC SY311327 [1,1,0,0,0,0|1,0,0]=3 266 B7R0.3 CCCC[C@@H](N)CO SY038512 [1,1,0,0,0,0|0,0,0]=2 267 B7R0.3 CCCC[C@H](N)CO SY038520 [1,1,0,0,0,0|0,0,0]=2 268 B7R0.3 CNC(=O)CCCO SY126228 [1,1,0,0,0,0|1,0,1]=4 269 B7R0.3 COC(=O)CCCO SY268958 [1,1,0,0,0,0|1,0,1]=4 270 B7R0.3 C[C@@H](CN)CCCO SY267124 [1,1,0,0,0,0|1,0,0]=3 271 B7R0.3 C[C@@H](CN)CCCO SY267125 [1,1,0,0,0,0|1,0,0]=3 272 B7R0.4 CC(C)CCCCO SY083602 [1,1,0,0,0,0|0,0,0]=2 273 B7R0.4 CC(C)CCCON SY281839 [1,1,0,0,0,0|2,0,0]=4 274 B7R0.4 CC(C)CCCON SY281840 [1,1,0,0,0,0|2,0,0]=4 275 B7R0.4 CC(O)CSCCO SY269034 [1,1,0,0,0,0|1,0,0]=3 276 B7R0.4 CCCCCC(N)=O SY051726 [1,1,0,0,0,0|0,0,2]=4 277 B7R0.4 CCCCC[N+](=O)[O-] SY266558 [1,1,0,0,0,0|1,0,1]=4 278 B7R0.4 CCCNCC(C)C SY034221 [1,1,0,0,0,0|1,0,0]=3 279 B7R0.4 CCCOCC(=O)O SY025048 [1,1,0,0,0,0|1,0,1]=4 280 B7R0.4 CNCCCC(=O)O SY032531 [1,1,0,0,0,0|1,0,1]=4 281 B7R0.4 COCCCC(=O)O SY045907 [1,1,0,0,0,0|1,0,1]=4 282 B7R0.4 NCCCCC(=O)O SY002964 [1,1,0,0,0,0|1,0,1]=4 283 B7R0.4 O=C(O)CCCCCl SY051600 [1,1,0,0,0,0|1,0,1]=4 284 B7R0.4 O=C(O)CCCCS SY141369 [1,1,0,0,0,0|1,0,1]=4 285 B7R0.4 O=C([O-])CCCCO SY019284 [1,1,0,0,0,0|1,0,1]=4 286 B7R0.4 O=[N+]([O-])CCCCO SY235738 [1,1,0,0,0,0|2,0,0]=4 287 B7R0.7 CCCC(Br)CCC SY016752 [1,1,0,0,0,0|0,0,0]=2 288 B7R0.7 CCCC(N)CCC SY024496 [1,1,0,0,0,0|0,0,0]=2 289 B7R0.7 CCC[C@H](N)CCO SY117417 [1,1,0,0,0,0|0,0,0]=2 290 B7R0.7 CCOC(=O)CCO SY008914 [1,1,0,0,0,0|1,0,1]=4 291 B7R0.7 COCC(O)COC SY021402 [1,1,0,0,0,0|2,0,0]=4 292 B7R0.7 O=C(CCO)CCCl SY300455 [1,1,0,0,0,0|1,0,1]=4 293 B7R0.7 O=C(CCO)CCO SY239973 [1,1,0,0,0,0|1,0,1]=4 294 B7R0.7 OCCC(O)CCO SY284695 [1,1,0,0,0,0|1,0,0]=3 295 B9R0.4 CCCCC(N)CC(=O)O SY013375 [0,2,0,0,0,0|0,0,1]=3 296 B9R0.4 CCCC[C@H](C)CC(=O)O SY253397 [0,2,0,0,0,0|0,0,1]=3 297 B9R0.4 CSCC[C@@H](N)CC(=O)O SY254064 [0,2,0,0,0,0|1,0,1]=4 298 B9R0.5 CCOC(=O)CCCCBr SY002795 [0,2,0,0,0,0|1,0,1]=4 299 B9R0.8 CCCOC(=O)C(O)CO SY284785 [0,2,0,0,0,0|1,0,1]=4 300 B9R0.40 CCCCC(CO)CCC SY298970 [0,2,0,0,0,0|1,0,0]=3 301 B9R0.48 CCCC(Cl)CCC(=O)Cl SY027789 [0,2,0,0,0,0|0,0,2]=4 302 B9R0.66 C#CCC(C)(O)CCCC SY041514 [0,2,0,0,0,0|1,0,1]=4 303 B9R0.2 C#CCCCCCC(=O)O SY028715 [0,2,0,0,0,0|0,0,2]=4 304 B9R0.2 C=CCCCCCC(=O)O SY240016 [0,2,0,0,0,0|0,0,2]=4 305 B9R0.2 CC(=O)NCCCCCN SY262838 [0,2,0,0,0,0|1,0,1]=4 306 B9R0.2 CC(=O)OCCCCCBr SY048649 [0,2,0,0,0,0|1,0,1]=4 307 B9R0.2 CCCCCCCC(=O)[O-] SY014939 [0,2,0,0,0,0|0,0,1]=3 308 B9R0.2 CCCCCCC[N+](=O)[O-] SY266539 [0,2,0,0,0,0|0,0,1]=3 309 B9R0.2 CCC\C=C/CCC(=O)O SY273608 [0,2,0,0,0,0|0,0,2]=4 310 B9R0.2 CCC\C=C\CCC(=O)O SY285302 [0,2,0,0,0,0|0,0,2]=4 311 B9R0.2 COCCOCCC(=O)O SY036257 [0,2,0,0,0,0|1,0,1]=4 312 B9R0.2 NC(=O)CCCCCCO SY247978 [0,2,0,0,0,0|0,0,1]=3 313 B9R0.2 NCCCCCCC(=O)O SY034831 [0,2,0,0,0,0|0,0,1]=3 314 B9R0.2 NCCCCCCC(N)=O SY247975 [0,2,0,0,0,0|0,0,2]=4 315 B9R0.2 O=C(O)CCCCCCBr SY015073 [0,2,0,0,0,0|0,0,1]=3 316 B9R0.2 O=[N+]([O-])CCCCCCBr SY266565 [0,2,0,0,0,0|1,0,1]=4 317 B9R0.2 O=[N+]([O-])CCCCCCCl SY266517 [0,2,0,0,0,0|1,0,1]=4 318 B9R0.2 O=[N+]([O-])CCCCCCO SY266580 [0,2,0,0,0,0|1,0,0]=3 319 B9R0.45 BrCCCCCCCCBr SY013819 [0,2,0,0,0,0|1,0,0]=3 320 B9R0.45 BrCCOCCOCCBr SY251171 [0,2,0,0,0,0|2,0,0]=4 321 B9R0.45 C#CCCCCCCCO SY105480 [0,2,0,0,0,0|0,0,0]=2 322 B9R0.45 C#CCOCCOCCO SY051003 [0,2,0,0,0,0|0,0,2]=4 323 B9R0.45 C=CCCCCCCCBr SY105453 [0,2,0,0,0,0|1,0,0]=3 324 B9R0.45 CCCCCCCCC=O SY016777 [0,2,0,0,0,0|0,0,1]=3 325 B9R0.45 CC\C=C/C\C=C/CCO SY273063 [0,2,0,0,0,0|0,0,2]=4 326 B9R0.45 ICCOCCOCCI SY052478 [0,2,0,0,0,0|2,0,0]=4 327 B9R0.45 NCCCCCCCCO SY055500 [0,2,0,0,0,0|0,0,0]=2 328 B9R0.45 NCCCSSCCCN SY298776 [0,2,0,0,0,0|2,0,0]=4 329 B9R0.45 NCCOCCOCCO SY023358 [0,2,0,0,0,0|1,0,0]=3 330 B9R0.45 O=CCCCCCCCBr SY299590 [0,2,0,0,0,0|0,0,1]=3 331 B9R0.45 OCCCCCCCCBr SY019465 [0,2,0,0,0,0|0,0,0]=2 332 B9R0.45 OCCCCCCCCCl SY019464 [0,2,0,0,0,0|0,0,0]=2 333 B9R0.45 OCCCCCCCCO SY006277 [0,2,0,0,0,0|0,0,0]=2 334 B9R0.45 OCCNCCNCCO SY051533 [0,2,0,0,0,0|1,0,0]=3 335 B9R0.45 OCCOCCOCCBr SY260735 [0,2,0,0,0,0|1,0,0]=3 336 B9R0.45 [N-]=[N+]=NCCCCCCBr SY297124 [0,2,0,0,0,0|2,0,0]=4 337 B9R0.46 CCCCCCC(O)CO SY031445 [0,2,0,0,0,0|0,0,0]=2 338 B9R0.46 COC(=O)CCCCCBr SY018348 [0,2,0,0,0,0|1,0,1]=4 339 B9R0.46 COC(=O)CCCCCN SY025881 [0,2,0,0,0,0|1,0,1]=4 340 B9R0.46 COC(=O)CCCCCO SY201227 [0,2,0,0,0,0|0,0,1]=3 341 B9R0.46 COC(=O)CCNCCO SY031365 [0,2,0,0,0,0|1,0,1]=4 342 B9R0.46 COCCCCC(=O)OC SY263824 [0,2,0,0,0,0|1,0,1]=4 343 B9R0.1 C[C@@H](N)COC[C@H](O)CCl SY233091 [0,2,0,0,0,0|2,0,0]=4 344 B9R0.47 CCSCC[C@H](N)C(=O)O SY101955 [0,2,0,0,0,0|1,0,1]=4 345 B9R0.47 NCCCCC(N)C(=O)O SY006120 [0,2,0,0,0,0|1,0,1]=4 346 B9R0.47 NCCCC[C@@H](N)C(=O)O SY007003 [0,2,0,0,0,0|1,0,1]=4 347 B9R0.47 NCCCC[C@@H](N)C(=O)O SY279831 [0,2,0,0,0,0|1,0,1]=4 348 B9R0.47 NCCCC[C@H](N)C(=O)O SY006447 [0,2,0,0,0,0|1,0,1]=4 349 B9R0.47 NCCCC[C@H](N)C(=O)O SY018594 [0,2,0,0,0,0|1,0,1]=4 350 B9R0.47 NCCCC[C@H](N)C(=O)O SY030505 [0,2,0,0,0,0|1,0,1]=4 351 B9R0.47 NCCCC[C@H](N)C(=O)O SY036176 [0,2,0,0,0,0|1,0,1]=4 352 B9R0.50 CCCCCC(CO)CO SY129852 [0,2,0,0,0,0|0,0,0]=2 353 B9R0.50 CCN(CC)CCCCBr SY027315 [0,2,0,0,0,0|2,0,0]=4 354 B9R0.50 CCN(CC)CCCCCl SY027314 [0,2,0,0,0,0|2,0,0]=4 355 B9R0.38 CCCCCCC(C)(C)O SY289490 [0,2,0,0,0,0|0,0,0]=2 356 B9R0.38 CCCCCCS(=O)(=O)[O-] SY001279 [0,2,0,0,0,0|1,0,1]=4 357 B9R0.38 C[N+](C)(C)CCCCCBr SY110604 [0,2,0,0,0,0|2,0,0]=4 358 B9R0.55 CC(N)CCCCC(C)N SY270811 [0,2,0,0,0,0|1,0,0]=3 359 B9R0.55 CN(C)CCCCC(=O)O SY018643 [0,2,0,0,0,0|1,0,1]=4 360 B9R0.55 CN(C)CCCCC(=O)O SY019232 [0,2,0,0,0,0|1,0,1]=4 361 B7R1.1 BrCC1CCOC1 SY042030 [1,0,0,1,0,0|2,0,0]=4 362 B7R1.1 BrCC1OCCO1 SY013531 [1,0,0,1,0,0|2,0,0]=4 363 B7R1.1 C#CC1CCCC1 SY047862 [1,0,0,1,0,0|0,0,2]=4 364 B7R1.1 C#CC1CCCO1 SY284812 [1,0,0,1,0,0|0,0,2]=4 365 B7R1.1 CC[C@@H]1CCCN1 SY103107 [1,0,0,1,0,0|1,0,0]=3 366 B7R1.1 CNC1CCOC1 SY048009 [1,0,0,1,0,0|2,0,0]=4 367 B7R1.1 CN[C@@H]1CCOC1 SY268189 [1,0,0,1,0,0|2,0,0]=4 368 B7R1.1 COC1CCNC1 SY043121 [1,0,0,1,0,0|2,0,0]=4 369 B7R1.1 COC1CCNC1 SY097408 [1,0,0,1,0,0|2,0,0]=4 370 B7R1.1 CO[C@@H]1CCNC1 SY042148 [1,0,0,1,0,0|2,0,0]=4 371 B7R1.1 CO[C@@H]1CCNC1 SY056981 [1,0,0,1,0,0|2,0,0]=4 372 B7R1.1 CO[C@H]1CCNC1 SY042488 [1,0,0,1,0,0|2,0,0]=4 373 B7R1.1 ClCC1CCCO1 SY049357 [1,0,0,1,0,0|1,0,0]=3 374 B7R1.1 FCC1CCNC1 SY265543 [1,0,0,1,0,0|2,0,0]=4 375 B7R1.1 FC[C@H]1CCCN1 SY098832 [1,0,0,1,0,0|2,0,0]=4 376 B7R1.1 N#CC1CCCO1 SY012529 [1,0,0,1,0,0|1,0,1]=4 377 B7R1.1 NCC1CCCC1 SY013219 [1,0,0,1,0,0|1,0,0]=3 378 B7R1.1 NCC1CCCC1 SY025882 [1,0,0,1,0,0|1,0,0]=3 379 B7R1.1 NCC1CCOC1 SY042027 [1,0,0,1,0,0|2,0,0]=4 380 B7R1.1 NC[C@@H]1CCCO1 SY012535 [1,0,0,1,0,0|1,0,0]=3 381 B7R1.1 O=CC1CCCC1 SY004589 [1,0,0,1,0,0|0,0,2]=4 382 B7R1.1 O=CC1CCCO1 SY024520 [1,0,0,1,0,0|1,0,1]=4 383 B7R1.1 OCC1CC=CC1 SY019811 [1,0,0,1,0,0|0,0,2]=4 384 B7R1.1 OCC1CCCC1 SY006011 [1,0,0,1,0,0|0,0,0]=2 385 B7R1.1 OCC1CCCN1 SY013851 [1,0,0,1,0,0|1,0,0]=3 386 B7R1.1 OCC1CCNC1 SY018506 [1,0,0,1,0,0|1,0,0]=3 387 B7R1.1 OCC1CCNC1 SY021497 [1,0,0,1,0,0|1,0,0]=3 388 B7R1.1 OCC1CCOC1 SY030918 [1,0,0,1,0,0|1,0,0]=3 389 B7R1.1 OC[C@@H]1CCCO1 SY227666 [1,0,0,1,0,0|1,0,0]=3 390 B7R1.1 OC[C@@H]1CCNC1 SY008238 [1,0,0,1,0,0|1,0,0]=3 391 B7R1.1 OC[C@H]1CCCN1 SY013466 [1,0,0,1,0,0|1,0,0]=3 392 B7R1.1 OC[C@H]1CCCO1 SY106537 [1,0,0,1,0,0|1,0,0]=3 393 B7R1.1 OC[C@H]1CCNC1 SY008227 [1,0,0,1,0,0|1,0,0]=3 394 B7R1.3 BrC1CCCOC1 SY005937 [1,0,0,1,0,0|2,0,0]=4 395 B7R1.3 BrC1CCNCC1 SY013399 [1,0,0,1,0,0|2,0,0]=4 396 B7R1.3 BrC1CCOCC1 SY002700 [1,0,0,1,0,0|2,0,0]=4 397 B7R1.3 CC1CNCCO1 SY008226 [1,0,0,1,0,0|1,0,0]=3 398 B7R1.3 CC1COCCN1 SY028991 [1,0,0,1,0,0|2,0,0]=4 399 B7R1.3 CN1CCNCC1 SY102030 [1,0,0,1,0,0|2,0,0]=4 400 B7R1.3 CN1CCOCC1 SY262844 [1,0,0,1,0,0|2,0,0]=4 401 B7R1.3 C[C@@H]1CCCNC1 SY069171 [1,0,0,1,0,0|1,0,0]=3 402 B7R1.3 C[C@@H]1CNCCN1 SY004931 [1,0,0,1,0,0|2,0,0]=4 403 B7R1.3 C[C@@H]1CNCCO1 SY021208 [1,0,0,1,0,0|1,0,0]=3 404 B7R1.3 C[C@@H]1CNCCO1 SY032742 [1,0,0,1,0,0|1,0,0]=3 405 B7R1.3 C[C@@H]1COCCN1 SY021211 [1,0,0,1,0,0|2,0,0]=4 406 B7R1.3 C[C@@H]1COCCN1 SY023875 [1,0,0,1,0,0|2,0,0]=4 407 B7R1.3 C[C@H]1CCCNC1 SY115150 [1,0,0,1,0,0|1,0,0]=3 408 B7R1.3 C[C@H]1CCCNC1 SY273114 [1,0,0,1,0,0|1,0,0]=3 409 B7R1.3 C[C@H]1CNCCO1 SY021210 [1,0,0,1,0,0|1,0,0]=3 410 B7R1.3 C[C@H]1CNCCO1 SY043150 [1,0,0,1,0,0|1,0,0]=3 411 B7R1.3 C[C@H]1COCCN1 SY002673 [1,0,0,1,0,0|2,0,0]=4 412 B7R1.3 C[C@H]1COCCN1 SY023874 [1,0,0,1,0,0|2,0,0]=4 413 B7R1.3 ClC1CCNCC1 SY046580 [1,0,0,1,0,0|2,0,0]=4 414 B7R1.3 ClC1CCOCC1 SY051140 [1,0,0,1,0,0|2,0,0]=4 415 B7R1.3 FC1CCCNC1 SY010384 [1,0,0,1,0,0|2,0,0]=4 416 B7R1.3 FC1CCNCC1 SY010389 [1,0,0,1,0,0|2,0,0]=4 417 B7R1.3 FC1CCNCC1 SY020129 [1,0,0,1,0,0|2,0,0]=4 418 B7R1.3 IC1CCOCC1 SY004489 [1,0,0,1,0,0|2,0,0]=4 419 B7R1.3 NC1CCCNC1 SY020460 [1,0,0,1,0,0|2,0,0]=4 420 B7R1.3 NC1CCOCC1 SY013112 [1,0,0,1,0,0|2,0,0]=4 421 B7R1.3 NC1CCSCC1 SY042938 [1,0,0,1,0,0|2,0,0]=4 422 B7R1.3 N[C@@H]1CCCNC1 SY008763 [1,0,0,1,0,0|2,0,0]=4 423 B7R1.3 N[C@@H]1CCCOC1 SY023981 [1,0,0,1,0,0|2,0,0]=4 424 B7R1.3 N[C@H]1CCCNC1 SY009305 [1,0,0,1,0,0|2,0,0]=4 425 B7R1.3 N[C@H]1CCCOC1 SY023980 [1,0,0,1,0,0|2,0,0]=4 426 B7R1.3 O=C1CCCCO1 SY018264 [1,0,0,1,0,0|1,0,1]=4 427 B7R1.3 OC1CC=CCC1 SY264800 [1,0,0,1,0,0|0,0,2]=4 428 B7R1.3 OC1CCCCO1 SY009592 [1,0,0,1,0,0|1,0,0]=3 429 B7R1.3 OC1CCCNC1 SY002024 [1,0,0,1,0,0|1,0,0]=3 430 B7R1.3 OC1CCCOC1 SY021770 [1,0,0,1,0,0|1,0,0]=3 431 B7R1.3 OC1CCNCC1 SY025543 [1,0,0,1,0,0|1,0,0]=3 432 B7R1.3 OC1CCOCC1 SY002687 [1,0,0,1,0,0|1,0,0]=3 433 B7R1.3 OC1CCSCC1 SY019603 [1,0,0,1,0,0|1,0,0]=3 434 B7R1.3 OC1COCOC1 SY039164 [1,0,0,1,0,0|2,0,0]=4 435 B7R1.3 ON1CCNCC1 SY248545 [1,0,0,1,0,0|2,0,0]=4 436 B7R1.3 O[C@@H]1CCCNC1 SY017793 [1,0,0,1,0,0|1,0,0]=3 437 B7R1.3 O[C@H]1CCCNC1 SY020871 [1,0,0,1,0,0|1,0,0]=3 438 B7R1.4 CC1CCCC1=O SY045483 [1,0,0,1,0,0|0,0,2]=4 439 B7R1.4 C[C@@H]1CNC[C@@H]1O SY124368 [1,0,0,1,0,0|1,0,0]=3 440 B7R1.4 C[C@H]1CCC[C@H]1N SY254157 [1,0,0,1,0,0|1,0,0]=3 441 B7R1.4 NC1CCCC1O SY004734 [1,0,0,1,0,0|1,0,0]=3 442 B7R1.4 N[C@@H]1CCC[C@@H]1O SY002754 [1,0,0,1,0,0|1,0,0]=3 443 B7R1.4 N[C@@H]1CCC[C@H]1O SY002755 [1,0,0,1,0,0|1,0,0]=3 444 B7R1.4 N[C@@H]1CCC[C@H]1O SY004738 [1,0,0,1,0,0|1,0,0]=3 445 B7R1.4 N[C@@H]1CCC[C@H]1O SY029613 [1,0,0,1,0,0|1,0,0]=3 446 B7R1.4 N[C@H]1CCC[C@@H]1O SY003862 [1,0,0,1,0,0|1,0,0]=3 447 B7R1.4 N[C@H]1CCC[C@H]1O SY003863 [1,0,0,1,0,0|1,0,0]=3 448 B7R1.4 N[C@H]1COC[C@H]1O SY233968 [1,0,0,1,0,0|2,0,0]=4 449 B7R1.4 OC1CCCC1F SY273252 [1,0,0,1,0,0|1,0,0]=3 450 B7R1.4 OC1CCCC1O SY007557 [1,0,0,1,0,0|1,0,0]=3 451 B7R1.4 OC1COCC1Br SY262931 [1,0,0,1,0,0|2,0,0]=4 452 B7R1.4 O[C@@H]1CCC[C@H]1Cl SY058932 [1,0,0,1,0,0|1,0,0]=3 453 B7R1.4 O[C@@H]1CCC[C@H]1F SY273251 [1,0,0,1,0,0|1,0,0]=3 454 B7R1.4 O[C@@H]1CCC[C@H]1O SY028304 [1,0,0,1,0,0|1,0,0]=3 455 B7R1.4 O[C@@H]1CNC[C@H]1O SY038177 [1,0,0,1,0,0|2,0,0]=4 456 B7R1.4 O[C@H]1CNC[C@@H]1O SY031965 [1,0,0,1,0,0|2,0,0]=4 457 B7R1.4 O[C@H]1CNC[C@H]1O SY097115 [1,0,0,1,0,0|2,0,0]=4 458 B7R1.6 CCOC1CNC1 SY198400 [1,0,0,1,0,0|2,0,0]=4 459 B7R1.6 CNCC1COC1 SY113244 [1,0,0,1,0,0|2,0,0]=4 460 B7R1.6 COCC1CCN1 SY122024 [1,0,0,1,0,0|2,0,0]=4 461 B7R1.6 COCC1CNC1 SY060329 [1,0,0,1,0,0|2,0,0]=4 462 B7R1.6 ICCC1COC1 SY249454 [1,0,0,1,0,0|2,0,0]=4 463 B7R1.6 NCCC1CNC1 SY263737 [1,0,0,1,0,0|2,0,0]=4 464 B7R1.6 NCCN1CCC1 SY099362 [1,0,0,1,0,0|2,0,0]=4 465 B7R1.6 NOCC1CCC1 SY216380 [1,0,0,1,0,0|2,0,0]=4 466 B7R1.6 NOCC1CCC1 SY281574 [1,0,0,1,0,0|2,0,0]=4 467 B7R1.6 O=CCC1CCC1 SY025254 [1,0,0,1,0,0|0,0,2]=4 468 B7R1.6 OCCC1CCO1 SY099736 [1,0,0,1,0,0|1,0,0]=3 469 B7R1.6 OCCC1COC1 SY097532 [1,0,0,1,0,0|1,0,0]=3 470 B7R1.7 CCCCC1CO1 SY049832 [1,0,0,1,0,0|0,0,0]=2 471 B7R1.7 OCC#CC1CC1 SY028195 [1,0,0,1,0,0|0,0,2]=4 472 B7R1.8 CN1CC[C@H]1CN SY284568 [1,0,0,1,0,0|2,0,0]=4 473 B7R1.24 C1CNCCOC1 SY002594 [1,0,0,1,0,0|1,0,0]=3 474 B7R1.24 C1CNCCOC1 SY023485 [1,0,0,1,0,0|1,0,0]=3 475 B9R1.2 CCC1CC(=O)CCN1 SY278089 [0,1,0,1,0,0|1,0,1]=4 476 B9R1.2 CCC1CCCC(O)C1 SY033582 [0,1,0,1,0,0|0,0,0]=2 477 B9R1.2 CN1CCCC(CO)C1 SY004691 [0,1,0,1,0,0|1,0,0]=3 478 B9R1.2 CN1CCOC(CN)C1 SY031955 [0,1,0,1,0,0|2,0,0]=4 479 B9R1.2 CN1CCOC(CO)C1 SY011650 [0,1,0,1,0,0|2,0,0]=4 480 B9R1.2 CN1CCO[C@H](CO)C1 SY259549 [0,1,0,1,0,0|2,0,0]=4 481 B9R1.2 N#C[C@@H]1CCC[C@@H](N)C1 SY249383 [0,1,0,1,0,0|1,0,1]=4 482 B9R1.2 N#C[C@@H]1CCC[C@H](O)C1 SY249382 [0,1,0,1,0,0|1,0,1]=4 483 B9R1.2 NCC1CCCC(O)C1 SY019314 [0,1,0,1,0,0|1,0,0]=3 484 B9R1.2 O=C1CC(CO)CCN1 SY042203 [0,1,0,1,0,0|1,0,1]=4 485 B9R1.7 CN1CCC(CCN)C1 SY021028 [0,1,0,1,0,0|2,0,0]=4 486 B9R1.7 NCCC1CCC(F)C1 SY233125 [0,1,0,1,0,0|1,0,0]=3 487 B9R1.7 NCCC1CCC(F)C1 SY237132 [0,1,0,1,0,0|1,0,0]=3 488 B9R1.7 NCCN1CCC(O)C1 SY037790 [0,1,0,1,0,0|2,0,0]=4 489 B9R1.7 NCCN1CC[C@H](O)C1 SY020131 [0,1,0,1,0,0|2,0,0]=4 490 B9R1.7 N[C@@H]1CCN(CCF)C1 SY281102 [0,1,0,1,0,0|2,0,0]=4 491 B9R1.7 N[C@H]1CCN(CCF)C1 SY281101 [0,1,0,1,0,0|2,0,0]=4 492 B9R1.7 O[C@@H]1CCN(CCCl)C1 SY238161 [0,1,0,1,0,0|2,0,0]=4 493 B9R1.7 O[C@H]1CCN(CCCl)C1 SY238162 [0,1,0,1,0,0|2,0,0]=4 494 B9R1.8 BrCCC1CCCCC1 SY059439 [0,1,0,1,0,0|1,0,0]=3 495 B9R1.8 BrCCC1CCNCC1 SY262909 [0,1,0,1,0,0|1,0,0]=3 496 B9R1.8 BrCCC1CCOCC1 SY023337 [0,1,0,1,0,0|1,0,0]=3 497 B9R1.8 BrCCC1OCCCO1 SY006188 [0,1,0,1,0,0|1,0,0]=3 498 B9R1.8 BrCCN1CCCCC1 SY040485 [0,1,0,1,0,0|1,0,0]=3 499 B9R1.8 BrCCN1CCOCC1 SY006016 [0,1,0,1,0,0|2,0,0]=4 500 B9R1.8 C#CCC1CCNCC1 SY262048 [0,1,0,1,0,0|1,0,1]=4 501 B9R1.8 CCCN1CCCCC1 SY275647 [0,1,0,1,0,0|1,0,0]=3 502 B9R1.8 CCNC1CCNCC1 SY015269 [0,1,0,1,0,0|2,0,0]=4 503 B9R1.8 CCNC1CCOCC1 SY042629 [0,1,0,1,0,0|2,0,0]=4 504 B9R1.8 CNCC1CCOCC1 SY030643 [0,1,0,1,0,0|2,0,0]=4 505 B9R1.8 CNC[C@@H]1COCCO1 SY224435 [0,1,0,1,0,0|1,0,0]=3 506 B9R1.8 CNC[C@@H]1COCCO1 SY225468 [0,1,0,1,0,0|1,0,0]=3 507 B9R1.8 COCC1CCNCC1 SY005448 [0,1,0,1,0,0|1,0,0]=3 508 B9R1.8 ClCCC1CCNCC1 SY247767 [0,1,0,1,0,0|1,0,0]=3 509 B9R1.8 N#CCC1CCNCC1 SY148451 [0,1,0,1,0,0|1,0,1]=4 510 B9R1.8 NCCC1CCCCC1 SY024342 [0,1,0,1,0,0|1,0,0]=3 511 B9R1.8 NCCC1CCOCC1 SY025283 [0,1,0,1,0,0|1,0,0]=3 512 B9R1.8 NCCC1CCOCC1 SY106797 [0,1,0,1,0,0|1,0,0]=3 513 B9R1.8 NCCC1CCSCC1 SY030714 [0,1,0,1,0,0|1,0,0]=3 514 B9R1.8 NNCC1CCCCC1 SY048084 [0,1,0,1,0,0|1,0,0]=3 515 B9R1.8 NOCC1CCCCC1 SY281548 [0,1,0,1,0,0|0,0,0]=2 516 B9R1.8 NOCC1CCCCC1 SY281549 [0,1,0,1,0,0|0,0,0]=2 517 B9R1.8 NOCC1CCOCC1 SY281581 [0,1,0,1,0,0|1,0,0]=3 518 B9R1.8 NOCC1CCOCC1 SY281582 [0,1,0,1,0,0|1,0,0]=3 519 B9R1.8 O=CCC1CCCCC1 SY025196 [0,1,0,1,0,0|0,0,1]=3 520 B9R1.8 OCCC1CCCCC1 SY011885 [0,1,0,1,0,0|0,0,0]=2 521 B9R1.8 OCCC1CCCNC1 SY011954 [0,1,0,1,0,0|0,0,0]=2 522 B9R1.8 OCCC1CCNCC1 SY002532 [0,1,0,1,0,0|0,0,0]=2 523 B9R1.8 OCCC1CCOCC1 SY022782 [0,1,0,1,0,0|0,0,0]=2 524 B9R1.8 OCCN1CCCCC1 SY009520 [0,1,0,1,0,0|0,0,0]=2 525 B9R1.8 OCCN1CCNCC1 SY003404 [0,1,0,1,0,0|1,0,0]=3 526 B9R1.9 NC1CN(CCCF)C1 SY293511 [0,1,0,1,0,0|2,0,0]=4 527 B9R1.12 BrCCCN1CCCC1 SY040487 [0,1,0,1,0,0|1,0,0]=3 528 B9R1.12 ClCCCN1CCCC1 SY003325 [0,1,0,1,0,0|1,0,0]=3 529 B9R1.12 ClCCCN1CCCC1 SY234060 [0,1,0,1,0,0|1,0,0]=3 530 B9R1.12 NCCCC1CCCC1 SY057560 [0,1,0,1,0,0|1,0,0]=3 531 B9R1.12 NCCCN1CCCC1 SY012644 [0,1,0,1,0,0|1,0,0]=3 532 B9R1.12 NCCOC1CCCC1 SY006718 [0,1,0,1,0,0|1,0,0]=3 533 B9R1.12 NCCOC1CCCC1 SY007808 [0,1,0,1,0,0|1,0,0]=3 534 B9R1.12 OCCCN1CCCC1 SY024340 [0,1,0,1,0,0|0,0,0]=2 535 B9R1.12 OCCOC1CCCC1 SY006714 [0,1,0,1,0,0|0,0,0]=2 536 B9R1.15 C#CC1CCCCN1C SY284794 [0,1,0,1,0,0|1,0,1]=4 537 B9R1.15 CC1CCCCC1NN SY047251 [0,1,0,1,0,0|1,0,0]=3 538 B9R1.15 CCC1CNCCC1=O SY286864 [0,1,0,1,0,0|0,0,2]=4 539 B9R1.15 CCC1NCCCC1=O SY064260 [0,1,0,1,0,0|0,0,2]=4 540 B9R1.15 CN1CCCCC1C=O SY234138 [0,1,0,1,0,0|0,0,2]=4 541 B9R1.15 CN1CCCCC1CO SY005303 [0,1,0,1,0,0|0,0,0]=2 542 B9R1.15 N#CC1OCCCC1Br SY005412 [0,1,0,1,0,0|1,0,1]=4 543 B9R1.15 N[C@@H]1CCCC[C@H]1CO SY025328 [0,1,0,1,0,0|0,0,0]=2 544 B9R1.15 O=C1NCCCC1CO SY139027 [0,1,0,1,0,0|1,0,1]=4 545 B9R1.15 OCC1=C(Br)CCCC1 SY265157 [0,1,0,1,0,0|0,0,2]=4 546 B9R1.15 OCC1CNCCC1O SY036254 [0,1,0,1,0,0|1,0,0]=3 547 B9R1.22 CN1C[C@H](F)C[C@H]1CO SY282373 [0,1,0,1,0,0|1,0,0]=3 548 B9R1.22 CO[C@@H]1CN(C)C[C@H]1O SY263752 [0,1,0,1,0,0|2,0,0]=4 549 B9R1.33 CN1CCCC1CCN SY050705 [0,1,0,1,0,0|1,0,0]=3 550 B9R1.33 CN1CCCC1CCO SY014916 [0,1,0,1,0,0|0,0,0]=2 551 B9R1.49 N[C@@H]1CCC[C@H](O)CC1 SY280408 [0,1,0,1,0,0|0,0,0]=2 552 B9R1.50 O=C1CCCCCCN1 SY012301 [0,1,0,1,0,0|0,0,2]=4 553 B9R1.69 CC1CC(N)CCN1C SY025928 [0,1,0,1,0,0|2,0,0]=4 554 B9R1.134 CC1(CCI)OCCO1 SY027724 [0,1,0,1,0,0|2,0,0]=4 555 B9R1.134 CC1(CCN)OCCO1 SY008158 [0,1,0,1,0,0|2,0,0]=4 556 B9R1.134 CC1(CCO)OCCO1 SY026035 [0,1,0,1,0,0|2,0,0]=4 557 B9R1.5 CC1CCNCCN1C SY025923 [0,1,0,1,0,0|2,0,0]=4 558 B9R1.5 OC1CNCCCC1F SY274201 [0,1,0,1,0,0|1,0,0]=3 559 B9R1.14 CCN1CCCC1CN SY007096 [0,1,0,1,0,0|1,0,0]=3 560 B9R1.14 CCN1CCCC1CO SY081976 [0,1,0,1,0,0|0,0,0]=2 561 B9R1.89 C#CC1CCCCCN1 SY284800 [0,1,0,1,0,0|1,0,1]=4 562 B9R1.89 OCC1CNCCCO1 SY007204 [0,1,0,1,0,0|1,0,0]=3 563 B9R1.89 OCC1CNCCCO1 SY011928 [0,1,0,1,0,0|1,0,0]=3 564 B9R1.1 CC1CCC(CBr)CC1 SY026798 [0,1,0,1,0,0|1,0,0]=3 565 B9R1.1 CC1CCC(CCl)CC1 SY026799 [0,1,0,1,0,0|1,0,0]=3 566 B9R1.1 CC1CCC(NN)CC1 SY047252 [0,1,0,1,0,0|2,0,0]=4 567 B9R1.1 CCN1CCC(O)CC1 SY033662 [0,1,0,1,0,0|2,0,0]=4 568 B9R1.1 CN1CCC(CCl)CC1 SY026785 [0,1,0,1,0,0|2,0,0]=4 569 B9R1.1 CN1CCC(CN)CC1 SY015666 [0,1,0,1,0,0|2,0,0]=4 570 B9R1.1 CN1CCC(CO)CC1 SY002179 [0,1,0,1,0,0|1,0,0]=3 571 B9R1.1 CNC1CCC(O)CC1 SY010993 [0,1,0,1,0,0|2,0,0]=4 572 B9R1.1 CN[C@H]1CC[C@@H](N)CC1 SY275687 [0,1,0,1,0,0|2,0,0]=4 573 B9R1.1 CN[C@H]1CC[C@H](O)CC1 SY056651 [0,1,0,1,0,0|2,0,0]=4 574 B9R1.1 COC1CCC(N)CC1 SY018116 [0,1,0,1,0,0|2,0,0]=4 575 B9R1.1 COC1CCC(O)CC1 SY021061 [0,1,0,1,0,0|2,0,0]=4 576 B9R1.1 CO[C@H]1CC[C@H](N)CC1 SY012780 [0,1,0,1,0,0|2,0,0]=4 577 B9R1.1 CO[C@H]1CC[C@H](N)CC1 SY253086 [0,1,0,1,0,0|2,0,0]=4 578 B9R1.1 C[C@@H]1CN[C@@H](CO)CN1 SY245515 [0,1,0,1,0,0|2,0,0]=4 579 B9R1.1 N#CC1CCC(N)CC1 SY283180 [0,1,0,1,0,0|1,0,1]=4 580 B9R1.1 N#CC1CCC(O)CC1 SY031509 [0,1,0,1,0,0|1,0,1]=4 581 B9R1.1 N#C[C@H]1CC[C@@H](N)CC1 SY309070 [0,1,0,1,0,0|1,0,1]=4 582 B9R1.1 N#C[C@H]1CC[C@H](N)CC1 SY129299 [0,1,0,1,0,0|1,0,1]=4 583 B9R1.1 N#C[C@H]1CC[C@H](N)CC1 SY309069 [0,1,0,1,0,0|1,0,1]=4 584 B9R1.1 NN1CCC(CF)CC1 SY307704 [0,1,0,1,0,0|2,0,0]=4 585 B9R1.1 N[C@@H]1CC[C@@H](CO)OC1 SY253889 [0,1,0,1,0,0|1,0,0]=3 586 B9R1.1 N[C@H]1CC[C@@H](CF)CC1 SY294657 [0,1,0,1,0,0|1,0,0]=3 587 B9R1.1 N[C@H]1CC[C@@H](CF)CC1 SY294658 [0,1,0,1,0,0|1,0,0]=3 588 B9R1.1 N[C@H]1CC[C@H](CO)CC1 SY037104 [0,1,0,1,0,0|0,0,0]=2 589 B9R1.1 O=C1CCC(CO)CN1 SY111877 [0,1,0,1,0,0|1,0,1]=4 590 B9R1.3 CC1COCC(C)C1N SY261756 [0,1,0,1,0,0|2,0,0]=4 591 B9R1.3 CC1CSCC(C)C1N SY261757 [0,1,0,1,0,0|2,0,0]=4 592 B9R1.11 C#CC(O)C1CCCC1 SY045239 [0,1,0,1,0,0|1,0,1]=4 593 B9R1.11 NC(CO)C1CCOC1 SY015608 [0,1,0,1,0,0|1,0,0]=3 594 B9R1.21 CCN1CC[C@@H](CN)C1 SY307780 [0,1,0,1,0,0|2,0,0]=4 595 B9R1.21 OCC1CCC(CO)O1 SY019156 [0,1,0,1,0,0|1,0,0]=3 596 B9R1.118 CC1(CO)CCNCC1 SY023916 [0,1,0,1,0,0|1,0,0]=3 597 B9R1.118 CC1(CO)CCOCC1 SY022800 [0,1,0,1,0,0|1,0,0]=3 598 B9R1.118 NC1(CO)CCCCC1 SY295098 [0,1,0,1,0,0|0,0,0]=2 599 B9R1.118 NC1(CO)CCOCC1 SY016245 [0,1,0,1,0,0|1,0,0]=3 600 B9R1.118 NC1(CO)CCSCC1 SY016240 [0,1,0,1,0,0|1,0,0]=3 601 B9R1.118 NCC1(O)CCOCC1 SY018147 [0,1,0,1,0,0|2,0,0]=4 602 B9R1.118 NCC1(O)CCOCC1 SY042103 [0,1,0,1,0,0|2,0,0]=4 603 B9R1.118 O=NC1(Cl)CCCCC1 SY092821 [0,1,0,1,0,0|1,0,1]=4 604 B9R1.118 OCC1(F)CCNCC1 SY038503 [0,1,0,1,0,0|1,0,0]=3 605 B9R1.118 OC[C@]1(F)CCCNC1 SY293789 [0,1,0,1,0,0|1,0,0]=3 606 B9R1.6 CC(=O)C1CCCCC1 SY013522 [0,1,0,1,0,0|0,0,2]=4 607 B9R1.6 CC(C)C1CNCCO1 SY150010 [0,1,0,1,0,0|1,0,0]=3 608 B9R1.6 CC(O)C1CCCCC1 SY101045 [0,1,0,1,0,0|0,0,0]=2 609 B9R1.6 CC(O)C1CCNCC1 SY033362 [0,1,0,1,0,0|1,0,0]=3 610 B9R1.6 FC(F)C1CCNCC1 SY112213 [0,1,0,1,0,0|2,0,0]=4 611 B9R1.6 O=C(O)C1CCCCN1 SY002975 [0,1,0,1,0,0|1,0,1]=4 612 B9R1.6 O=C(O)C1CCCCO1 SY003244 [0,1,0,1,0,0|1,0,1]=4 613 B9R1.6 O=C(O)C1CCCNC1 SY001864 [0,1,0,1,0,0|1,0,1]=4 614 B9R1.6 O=C(O)C1CCCOC1 SY020666 [0,1,0,1,0,0|1,0,1]=4 615 B9R1.6 O=C(O)C1CCNCC1 SY001425 [0,1,0,1,0,0|1,0,1]=4 616 B9R1.6 O=C(O)C1CCOCC1 SY003734 [0,1,0,1,0,0|1,0,1]=4 617 B9R1.6 O=C(O)C1CCSCC1 SY019842 [0,1,0,1,0,0|1,0,1]=4 618 B9R1.6 O=C(O)[C@@H]1CCCCN1 SY003076 [0,1,0,1,0,0|1,0,1]=4 619 B9R1.6 O=C(O)[C@@H]1CCCCO1 SY100445 [0,1,0,1,0,0|1,0,1]=4 620 B9R1.6 O=C(O)[C@@H]1CCCNC1 SY102436 [0,1,0,1,0,0|1,0,1]=4 621 B9R1.6 O=C(O)[C@H]1CCCCN1 SY003075 [0,1,0,1,0,0|1,0,1]=4 622 B9R1.6 O=C(O)[C@H]1CCCNC1 SY018213 [0,1,0,1,0,0|1,0,1]=4 623 B9R1.6 O=C(O)[C@H]1CCCNC1 SY057637 [0,1,0,1,0,0|1,0,1]=4 624 B9R1.6 OB(O)C1CCCCC1 SY008103 [0,1,0,1,0,0|1,0,0]=3 625 B9R1.6 OB(O)C1CCOCC1 SY027410 [0,1,0,1,0,0|2,0,0]=4 626 B9R1.13 O=C(O)CC1CCNC1 SY096981 [0,1,0,1,0,0|1,0,1]=4 627 B9R1.13 O=C(O)CC1CCOC1 SY039684 [0,1,0,1,0,0|1,0,1]=4 628 B9R1.13 O=C(O)CN1CCCC1 SY025097 [0,1,0,1,0,0|1,0,1]=4 629 B9R1.13 O=C(O)C[C@@H]1CCCN1 SY107247 [0,1,0,1,0,0|1,0,1]=4 630 B9R1.13 O=C(O)C[C@H]1CCCN1 SY056877 [0,1,0,1,0,0|1,0,1]=4 631 B9R1.13 O=C(O)C[C@H]1CCCN1 SY245644 [0,1,0,1,0,0|1,0,1]=4 632 B9R1.24 CC1(C)CNCC1CO SY283645 [0,1,0,1,0,0|1,0,0]=3 633 B9R1.40 CC1(C)CCCCC1=O SY031867 [0,1,0,1,0,0|0,0,2]=4 634 B9R1.40 NC1CCCCC1(F)F SY043069 [0,1,0,1,0,0|2,0,0]=4 635 B9R1.41 CN(C)[C@@H]1CCC[C@H]1O SY272560 [0,1,0,1,0,0|1,0,0]=3 636 B9R1.41 CN1CCC[C@@H]1C(=O)O SY004606 [0,1,0,1,0,0|1,0,1]=4 637 B9R1.41 CN1CCC[C@@H]1C(=O)O SY012525 [0,1,0,1,0,0|1,0,1]=4 638 B9R1.41 CN1CCC[C@H]1C(=O)O SY004607 [0,1,0,1,0,0|1,0,1]=4 639 B9R1.41 CN1CCC[C@H]1C(=O)O SY004777 [0,1,0,1,0,0|1,0,1]=4 640 B9R1.41 C[C@@H](O)[C@@H]1CCCN1C SY300195 [0,1,0,1,0,0|1,0,0]=3 641 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O SY024590 [0,1,0,1,0,0|1,0,1]=4 642 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O SY024589 [0,1,0,1,0,0|1,0,1]=4 643 B9R1.84 O=C(O)CCC1CCC1 SY132058 [0,1,0,1,0,0|0,0,1]=3 644 B9R1.85 O=C(O)CCNC1CC1 SY034664 [0,1,0,1,0,0|1,0,1]=4 645 B9R2.49 C1CC2CNC1CN2 SY023209 [0,0,0,2,0,0|2,0,0]=4 646 B9R2.49 C1CC2CNC1CO2 SY265862 [0,0,0,2,0,0|1,0,0]=3 647 B9R2.65 OCC1C2COCC12 SY242625 [0,0,0,2,0,0|1,0,0]=3 648 B9R2.65 OC[C@@H]1[C@H]2CNC[C@H]21 SY040577 [0,0,0,2,0,0|1,0,0]=3 649 B9R2.68 C1CC2CCC(C1)N2 SY097135 [0,0,0,2,0,0|1,0,0]=3 650 B9R2.68 C1CC2CNCC1C2 SY137733 [0,0,0,2,0,0|2,0,0]=4 651 B9R2.68 C1CC2CNCC1C2 SY193663 [0,0,0,2,0,0|2,0,0]=4 652 B9R2.68 C1CC2CNCC1O2 SY039502 [0,0,0,2,0,0|1,0,0]=3 653 B9R2.68 C1CC2COCC1N2 SY018176 [0,0,0,2,0,0|2,0,0]=4 654 B9R2.174 C1CC2(CCN1)CC2 SY025875 [0,0,0,2,0,0|2,0,0]=4 655 B9R2.174 C1CC2(CCN1)CC2 SY025876 [0,0,0,2,0,0|2,0,0]=4 656 B9R2.174 C1CNC2(CC2)CN1 SY102808 [0,0,0,2,0,0|2,0,0]=4 657 B9R2.174 C1CNCC2(C1)CC2 SY155823 [0,0,0,2,0,0|2,0,0]=4 658 B9R2.174 C1COC2(CC2)CN1 SY039549 [0,0,0,2,0,0|1,0,0]=3 659 B9R2.174 C1COC2(CC2)CN1 SY123756 [0,0,0,2,0,0|1,0,0]=3 660 B9R2.174 C1COCC2(CC2)N1 SY059756 [0,0,0,2,0,0|2,0,0]=4 661 B9R2.6 CC12CCNCC1C2 SY265753 [0,0,0,2,0,0|2,0,0]=4 662 B9R2.39 CN1C[C@@H]2C[C@H]1CN2 SY021730 [0,0,0,2,0,0|2,0,0]=4 663 B9R2.39 NC1CC2CCC1O2 SY140876 [0,0,0,2,0,0|1,0,0]=3 664 B9R2.39 O=C1CC2CCC1C2 SY049592 [0,0,0,2,0,0|0,0,2]=4 665 B9R2.109 O=C1CCCC2OC12 SY112669 [0,0,0,2,0,0|1,0,1]=4 666 B9R2.2 C1CC(C2CC2)CN1 SY144888 [0,0,0,2,0,0|2,0,0]=4 667 B9R2.3 C12CNCC1CNC2 SY018659 [0,0,0,2,0,0|2,0,0]=4 668 B9R2.3 C1CC2CNCC2C1 SY003119 [0,0,0,2,0,0|1,0,0]=3 669 B9R2.3 C1NCC2COCC12 SY032482 [0,0,0,2,0,0|1,0,0]=3 670 B9R2.3 C1NC[C@@H]2COC[C@H]12 SY043212 [0,0,0,2,0,0|1,0,0]=3 671 B9R2.3 [C@@H]12CNC[C@@H]1COC2 SY292177 [0,0,0,2,0,0|1,0,0]=3 672 B9R2.173 C1COC2(C1)CNC2 SY113900 [0,0,0,2,0,0|1,0,0]=3 673 B9R2.5 O=C1CCCC12CC2 SY197560 [0,0,0,2,0,0|0,0,2]=4 674 B9R2.69 C(CC1CO1)C2CO2 SY053358 [0,0,0,2,0,0|1,0,0]=3 675 B9R2.69 C1CC1CNC2CC2 SY025777 [0,0,0,2,0,0|2,0,0]=4