0 B7R0.1 C#CCCCCCCl SY220544 [0,0,0,0,0,0|2,0,1]=3 1 B7R0.1 C#CCCCCCO SY021685 [0,0,0,0,0,0|2,0,1]=3 2 B7R0.1 C=CCCCCNC SY047447 [0,0,0,0,0,0|2,0,0]=2 3 B7R0.1 C=CCCCCON SY281584 [0,0,0,0,0,0|3,0,0]=3 4 B7R0.1 C=CCCCCON SY281585 [0,0,0,0,0,0|3,0,0]=3 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|2,0,2]=4 8 B7R0.1 COCCOCCBr SY049757 [0,0,0,0,0,0|3,0,1]=4 9 B7R0.1 COCCOCCN SY042959 [0,0,0,0,0,0|3,0,1]=4 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|2,0,0]=2 12 B7R0.1 ClCCCCCCBr SY049099 [0,0,0,0,0,0|2,0,1]=3 13 B7R0.1 ClCCCCCCI SY049747 [0,0,0,0,0,0|2,0,1]=3 14 B7R0.1 NCCCCCCO SY003099 [0,0,0,0,0,0|1,0,2]=3 15 B7R0.1 OCCCCCCBr SY017128 [0,0,0,0,0,0|1,0,2]=3 16 B7R0.1 OCCCCCCCl SY001629 [0,0,0,0,0,0|1,0,2]=3 17 B7R0.1 OCCOCCCBr SY250091 [0,0,0,0,0,0|2,0,2]=4 18 B6R0.6 BrCCCCCBr SY004544 [1,0,0,0,0,0|2,0,0]=3 19 B6R0.6 BrCCNCCBr SY018108 [1,0,0,0,0,0|3,0,0]=4 20 B6R0.6 C#CCCCCI SY047667 [1,0,0,0,0,0|1,0,2]=4 21 B6R0.6 C#CCCCCN SY069749 [1,0,0,0,0,0|1,0,2]=4 22 B6R0.6 C#CCCCCO SY020332 [1,0,0,0,0,0|0,0,3]=4 23 B6R0.6 C=CCCCCO SY020861 [1,0,0,0,0,0|1,0,1]=3 24 B6R0.6 C=CCCCON SY281553 [1,0,0,0,0,0|2,0,1]=4 25 B6R0.6 C=CCCCON SY281554 [1,0,0,0,0,0|2,0,1]=4 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|1,0,1]=3 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|1,0,1]=3 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|0,0,3]=4 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|1,0,1]=3 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|1,0,0]=2 47 B6R0.6 O=CCCCCO SY047027 [1,0,0,0,0,0|1,0,0]=2 48 B6R0.6 O=CNCCCO SY261924 [1,0,0,0,0,0|2,0,0]=3 49 B6R0.6 OCCCCCCl SY050042 [1,0,0,0,0,0|1,0,1]=3 50 B6R0.6 OCCOCCBr SY145932 [1,0,0,0,0,0|2,0,1]=4 51 B8R0.4 BrCCCCCCCBr SY050897 [0,1,0,0,0,0|1,0,1]=3 52 B8R0.4 C#CCCCCCCO SY051403 [0,1,0,0,0,0|1,0,1]=3 53 B8R0.4 C=CCCCCCCBr SY032409 [0,1,0,0,0,0|1,0,0]=2 54 B8R0.4 C=CCCCCCON SY281734 [0,1,0,0,0,0|2,0,0]=3 55 B8R0.4 C=CCCCCCON SY281735 [0,1,0,0,0,0|2,0,0]=3 56 B8R0.4 CCCCCCCON SY281820 [0,1,0,0,0,0|0,0,2]=3 57 B8R0.4 CCCCCCCON SY281821 [0,1,0,0,0,0|0,0,2]=3 58 B8R0.4 CCCCOCCC#N SY016496 [0,1,0,0,0,0|1,0,1]=3 59 B8R0.4 CCOCCNCCN SY301811 [0,1,0,0,0,0|2,0,1]=4 60 B8R0.4 COCCCCCCBr SY040480 [0,1,0,0,0,0|1,0,1]=3 61 B8R0.4 COCCOCCON SY281837 [0,1,0,0,0,0|3,0,0]=4 62 B8R0.4 COCCOCCON SY281838 [0,1,0,0,0,0|3,0,0]=4 63 B8R0.4 ClCCCCCCCCl SY055886 [0,1,0,0,0,0|1,0,1]=3 64 B8R0.4 ClCCCOCCCCl SY116045 [0,1,0,0,0,0|2,0,1]=4 65 B8R0.4 OCCCCCCCBr SY019463 [0,1,0,0,0,0|0,0,2]=3 66 B8R0.4 OCCCCCCCO SY010789 [0,1,0,0,0,0|0,0,2]=3 67 B8R0.4 OCCCOCCCO SY116704 [0,1,0,0,0,0|1,0,2]=4 68 B8R0.6 C#C[C@@H](O)CCCCC SY029413 [0,1,0,0,0,0|1,0,1]=3 69 B8R0.6 COC(=O)CCCC=O SY056793 [0,1,0,0,0,0|1,0,1]=3 70 B8R0.6 N#CC(O)CCCCO SY028469 [0,1,0,0,0,0|2,0,1]=4 71 B8R0.7 C#CCCCCC(=O)O SY021705 [0,1,0,0,0,0|0,0,2]=3 72 B8R0.7 C#CCOCCC(=O)O SY128339 [0,1,0,0,0,0|1,0,2]=4 73 B8R0.7 C=CCCCC[N+](=O)[O-] SY266523 [0,1,0,0,0,0|1,0,2]=4 74 B8R0.7 CC(=O)CCCN=[N+]=[N-] SY263051 [0,1,0,0,0,0|3,0,0]=4 75 B8R0.7 CC(=O)OCCCCBr SY048653 [0,1,0,0,0,0|2,0,0]=3 76 B8R0.7 CC(=O)OCCCCO SY294143 [0,1,0,0,0,0|2,0,0]=3 77 B8R0.7 CC(=O)SCCCCN SY290150 [0,1,0,0,0,0|2,0,0]=3 78 B8R0.7 CC(C)NCCCCO SY054140 [0,1,0,0,0,0|1,0,2]=4 79 B8R0.7 CCCCCCB(O)O SY017961 [0,1,0,0,0,0|1,0,1]=3 80 B8R0.7 CCCCCC[C@@H](C)O SY038272 [0,1,0,0,0,0|0,0,2]=3 81 B8R0.7 CCCCCC[N+](=O)[O-] SY266557 [0,1,0,0,0,0|1,0,0]=2 82 B8R0.7 CCCCOCC(=O)O SY002472 [0,1,0,0,0,0|1,0,0]=2 83 B8R0.7 CCNCCCN(C)C SY023941 [0,1,0,0,0,0|3,0,0]=4 84 B8R0.7 CN(C)CCCCC#N SY041202 [0,1,0,0,0,0|2,0,1]=4 85 B8R0.7 CN(C)CCCCCN SY040702 [0,1,0,0,0,0|2,0,1]=4 86 B8R0.7 COCCCC[N+](=O)[O-] SY266559 [0,1,0,0,0,0|2,0,0]=3 87 B8R0.7 COCCOCC(=O)O SY035294 [0,1,0,0,0,0|2,0,0]=3 88 B8R0.7 N#CCCCC[N+](=O)[O-] SY266598 [0,1,0,0,0,0|2,0,1]=4 89 B8R0.7 N=C(N)NCCCCN SY033517 [0,1,0,0,0,0|3,0,0]=4 90 B8R0.7 NC(=O)CCCCCBr SY103908 [0,1,0,0,0,0|1,0,0]=2 91 B8R0.7 NC(=O)CCCCCO SY247977 [0,1,0,0,0,0|1,0,0]=2 92 B8R0.7 NCCCCCC(=O)O SY003109 [0,1,0,0,0,0|1,0,0]=2 93 B8R0.7 NCCCCCC(N)=O SY247974 [0,1,0,0,0,0|1,0,0]=2 94 B8R0.7 O=C(O)CCCCCCl SY053214 [0,1,0,0,0,0|1,0,0]=2 95 B8R0.7 O=C(O)CCCCCO SY032043 [0,1,0,0,0,0|1,0,0]=2 96 B8R0.7 O=C(O)CCOCCBr SY273001 [0,1,0,0,0,0|2,0,0]=3 97 B8R0.7 O=C(O)CCOCCO SY293391 [0,1,0,0,0,0|2,0,0]=3 98 B8R0.7 O=C([O-])CCCCCO SY121174 [0,1,0,0,0,0|1,0,0]=2 99 B8R0.7 O=[N+]([O-])CCCCCBr SY266569 [0,1,0,0,0,0|2,0,0]=3 100 B8R0.7 O=[N+]([O-])CCCCCCl SY266512 [0,1,0,0,0,0|2,0,0]=3 101 B8R0.7 O=[N+]([O-])CCCCCO SY266588 [0,1,0,0,0,0|2,0,0]=3 102 B8R1.2 BrCC1CCCNC1 SY029332 [0,0,0,1,0,0|2,0,1]=4 103 B8R1.2 BrCC1CCNCC1 SY007097 [0,0,0,1,0,0|2,0,1]=4 104 B8R1.2 BrCC1CCNCC1 SY029312 [0,0,0,1,0,0|2,0,1]=4 105 B8R1.2 BrCC1CCOCC1 SY002686 [0,0,0,1,0,0|2,0,1]=4 106 B8R1.2 C#CC1CCCOC1 SY259701 [0,0,0,1,0,0|2,0,1]=4 107 B8R1.2 C#CC1CCNCC1 SY097779 [0,0,0,1,0,0|2,0,1]=4 108 B8R1.2 C#CC1CCOCC1 SY097241 [0,0,0,1,0,0|2,0,1]=4 109 B8R1.2 CCC1=CCCC=C1 SY292098 [0,0,0,1,0,0|1,0,2]=4 110 B8R1.2 CNC1CCNCC1 SY016945 [0,0,0,1,0,0|3,0,0]=4 111 B8R1.2 CNC1CCNCC1 SY016946 [0,0,0,1,0,0|3,0,0]=4 112 B8R1.2 CNC1CCOCC1 SY013416 [0,0,0,1,0,0|3,0,0]=4 113 B8R1.2 CNC1CCOCC1 SY016841 [0,0,0,1,0,0|3,0,0]=4 114 B8R1.2 COC1CCCNC1 SY041935 [0,0,0,1,0,0|3,0,0]=4 115 B8R1.2 COC1CCCNC1 SY104362 [0,0,0,1,0,0|3,0,0]=4 116 B8R1.2 COC1CCNCC1 SY003146 [0,0,0,1,0,0|3,0,0]=4 117 B8R1.2 COC1CCNCC1 SY020458 [0,0,0,1,0,0|3,0,0]=4 118 B8R1.2 CO[C@H]1CCCNC1 SY098191 [0,0,0,1,0,0|3,0,0]=4 119 B8R1.2 ClCC1CCNCC1 SY029313 [0,0,0,1,0,0|2,0,1]=4 120 B8R1.2 ICC1CCCCC1 SY027725 [0,0,0,1,0,0|1,0,1]=3 121 B8R1.2 ICC1CCNCC1 SY029333 [0,0,0,1,0,0|2,0,1]=4 122 B8R1.2 ICC1CCOCC1 SY041962 [0,0,0,1,0,0|2,0,1]=4 123 B8R1.2 N#CC1CCCNC1 SY004324 [0,0,0,1,0,0|2,0,1]=4 124 B8R1.2 N#CC1CCNCC1 SY002496 [0,0,0,1,0,0|2,0,1]=4 125 B8R1.2 N#CC1CCOCC1 SY021355 [0,0,0,1,0,0|2,0,1]=4 126 B8R1.2 N#CC1CCSCC1 SY019840 [0,0,0,1,0,0|2,0,1]=4 127 B8R1.2 NCC1CCCCC1 SY001137 [0,0,0,1,0,0|1,0,1]=3 128 B8R1.2 NCC1CCCCO1 SY003242 [0,0,0,1,0,0|1,0,2]=4 129 B8R1.2 NCC1CCCOC1 SY020076 [0,0,0,1,0,0|2,0,1]=4 130 B8R1.2 NCC1CCOCC1 SY001214 [0,0,0,1,0,0|2,0,1]=4 131 B8R1.2 NNC1CCOCC1 SY010716 [0,0,0,1,0,0|3,0,0]=4 132 B8R1.2 NNC1CCOCC1 SY023220 [0,0,0,1,0,0|3,0,0]=4 133 B8R1.2 NOC1CCCCO1 SY004632 [0,0,0,1,0,0|3,0,0]=4 134 B8R1.2 O=CC1CCCCN1 SY239012 [0,0,0,1,0,0|1,0,0]=2 135 B8R1.2 O=CC1CCSCC1 SY014498 [0,0,0,1,0,0|1,0,0]=2 136 B8R1.2 O=CC1COCCO1 SY277014 [0,0,0,1,0,0|2,0,0]=3 137 B8R1.2 O=CN1CCOCC1 SY004785 [0,0,0,1,0,0|2,0,0]=3 138 B8R1.2 OCC1CC=CCC1 SY036929 [0,0,0,1,0,0|2,0,1]=4 139 B8R1.2 OCC1CCC=CO1 SY051074 [0,0,0,1,0,0|1,0,2]=4 140 B8R1.2 OCC1CCCCC1 SY002783 [0,0,0,1,0,0|0,0,2]=3 141 B8R1.2 OCC1CCCCN1 SY009271 [0,0,0,1,0,0|1,0,2]=4 142 B8R1.2 OCC1CCCCO1 SY003220 [0,0,0,1,0,0|1,0,2]=4 143 B8R1.2 OCC1CCOCC1 SY002701 [0,0,0,1,0,0|1,0,2]=4 144 B8R1.2 OCC1CCSCC1 SY019602 [0,0,0,1,0,0|1,0,2]=4 145 B8R1.2 OC[C@@H]1CCCCN1 SY105311 [0,0,0,1,0,0|1,0,2]=4 146 B8R1.2 OC[C@@H]1CCCNC1 SY067329 [0,0,0,1,0,0|1,0,2]=4 147 B8R1.2 OC[C@@H]1CCCNC1 SY068903 [0,0,0,1,0,0|1,0,2]=4 148 B8R1.2 OC[C@H]1CCC=CO1 SY257768 [0,0,0,1,0,0|1,0,2]=4 149 B8R1.2 OC[C@H]1CCCNC1 SY027077 [0,0,0,1,0,0|1,0,2]=4 150 B8R1.2 OC[C@H]1CCCNC1 SY069039 [0,0,0,1,0,0|1,0,2]=4 151 B8R1.2 ON=C1CCCCC1 SY011165 [0,0,0,1,0,0|1,0,2]=4 152 B8R1.2 [C-]#[N+]C1CCOCC1 SY263033 [0,0,0,1,0,0|3,0,0]=4 153 B8R1.5 BrC1=C(Br)CCCC1 SY272424 [0,0,0,1,0,0|2,0,1]=4 154 B8R1.5 CC1CCCCC1N SY001916 [0,0,0,1,0,0|1,0,1]=3 155 B8R1.5 CC1CNCCN1C SY016183 [0,0,0,1,0,0|3,0,0]=4 156 B8R1.5 CC1COCCC1=O SY023092 [0,0,0,1,0,0|1,0,0]=2 157 B8R1.5 CC1NCCNC1=O SY042487 [0,0,0,1,0,0|2,0,0]=3 158 B8R1.5 CC1OCCNC1=O SY032980 [0,0,0,1,0,0|2,0,0]=3 159 B8R1.5 CN1CCNCC1=O SY025326 [0,0,0,1,0,0|2,0,0]=3 160 B8R1.5 CN1CCNCC1=O SY025555 [0,0,0,1,0,0|2,0,0]=3 161 B8R1.5 C[C@@H]1CCCC[C@@H]1N SY037542 [0,0,0,1,0,0|1,0,1]=3 162 B8R1.5 C[C@@H]1CNCCN1C SY033048 [0,0,0,1,0,0|3,0,0]=4 163 B8R1.5 C[C@@H]1NCCNC1=O SY020656 [0,0,0,1,0,0|2,0,0]=3 164 B8R1.5 C[C@H]1CCCC[C@H]1N SY037541 [0,0,0,1,0,0|1,0,1]=3 165 B8R1.5 C[C@H]1CNCCN1C SY023797 [0,0,0,1,0,0|3,0,0]=4 166 B8R1.5 C[C@H]1NCCNC1=O SY020655 [0,0,0,1,0,0|2,0,0]=3 167 B8R1.5 NC1CCCNC1=O SY005645 [0,0,0,1,0,0|2,0,0]=3 168 B8R1.5 NC1CCCNC1=O SY011636 [0,0,0,1,0,0|2,0,0]=3 169 B8R1.5 N[C@@H]1CCCC[C@@H]1O SY046252 [0,0,0,1,0,0|1,0,2]=4 170 B8R1.5 N[C@@H]1CCCC[C@H]1N SY001269 [0,0,0,1,0,0|2,0,1]=4 171 B8R1.5 N[C@@H]1CCCC[C@H]1N SY076505 [0,0,0,1,0,0|2,0,1]=4 172 B8R1.5 N[C@@H]1CCCC[C@H]1O SY026108 [0,0,0,1,0,0|1,0,2]=4 173 B8R1.5 N[C@@H]1CCCC[C@H]1O SY026111 [0,0,0,1,0,0|1,0,2]=4 174 B8R1.5 N[C@@H]1CCCC[C@H]1O SY026112 [0,0,0,1,0,0|1,0,2]=4 175 B8R1.5 N[C@@H]1CCCC[C@H]1O SY127907 [0,0,0,1,0,0|1,0,2]=4 176 B8R1.5 N[C@@H]1CCCNC1=O SY029118 [0,0,0,1,0,0|2,0,0]=3 177 B8R1.5 N[C@H]1CCCC[C@@H]1N SY004140 [0,0,0,1,0,0|2,0,1]=4 178 B8R1.5 N[C@H]1CCCC[C@@H]1O SY026110 [0,0,0,1,0,0|1,0,2]=4 179 B8R1.5 N[C@H]1CCCC[C@@H]1O SY026117 [0,0,0,1,0,0|1,0,2]=4 180 B8R1.5 N[C@H]1CCCC[C@H]1O SY014948 [0,0,0,1,0,0|1,0,2]=4 181 B8R1.5 N[C@H]1CCCNC1=O SY005643 [0,0,0,1,0,0|2,0,0]=3 182 B8R1.5 N[C@H]1CCCNC1=O SY027641 [0,0,0,1,0,0|2,0,0]=3 183 B8R1.5 O=C1CCCCC1=O SY018311 [0,0,0,1,0,0|1,0,1]=3 184 B8R1.5 O=C1CCCCC1Cl SY038921 [0,0,0,1,0,0|1,0,0]=2 185 B8R1.5 O=C1CCNCC1F SY015074 [0,0,0,1,0,0|2,0,0]=3 186 B8R1.5 O=C1CCOCC1Br SY030109 [0,0,0,1,0,0|2,0,0]=3 187 B8R1.5 O=C1CCOCC1Cl SY030110 [0,0,0,1,0,0|2,0,0]=3 188 B8R1.5 O=C1NCCCC1Br SY105168 [0,0,0,1,0,0|2,0,0]=3 189 B8R1.5 O=C1NCCCC1O SY110845 [0,0,0,1,0,0|2,0,0]=3 190 B8R1.5 O[C@@H]1CCCC[C@H]1O SY019731 [0,0,0,1,0,0|1,0,2]=4 191 B8R1.5 O[C@@H]1CCCC[C@H]1S SY268159 [0,0,0,1,0,0|1,0,2]=4 192 B8R1.8 BrCCN1CCCC1 SY040483 [0,0,0,1,0,0|2,0,1]=4 193 B8R1.8 C#CCN1CCCC1 SY102558 [0,0,0,1,0,0|2,0,1]=4 194 B8R1.8 C#CCN1CCCC1 SY146717 [0,0,0,1,0,0|2,0,1]=4 195 B8R1.8 CCO[C@@H]1CCNC1 SY011689 [0,0,0,1,0,0|3,0,0]=4 196 B8R1.8 CCO[C@H]1CCNC1 SY108177 [0,0,0,1,0,0|3,0,0]=4 197 B8R1.8 CNCC1CCNC1 SY294056 [0,0,0,1,0,0|3,0,0]=4 198 B8R1.8 COCC1CCCN1 SY122813 [0,0,0,1,0,0|2,0,1]=4 199 B8R1.8 COC[C@H]1CCCN1 SY013140 [0,0,0,1,0,0|2,0,1]=4 200 B8R1.8 ClCCC1CCCC1 SY036243 [0,0,0,1,0,0|1,0,1]=3 201 B8R1.8 ClCCN1CCCC1 SY013128 [0,0,0,1,0,0|2,0,1]=4 202 B8R1.8 N#CCN1CCCC1 SY017301 [0,0,0,1,0,0|2,0,1]=4 203 B8R1.8 O=CCN1CCCC1 SY263315 [0,0,0,1,0,0|1,0,0]=2 204 B8R1.8 OCCC1CCCC1 SY032290 [0,0,0,1,0,0|0,0,2]=3 205 B8R1.11 C#CC1CCCC1O SY007474 [0,0,0,1,0,0|2,0,1]=4 206 B8R1.11 C#CC1CCCN1C SY277506 [0,0,0,1,0,0|2,0,1]=4 207 B8R1.11 C#C[C@@H]1CCC[C@@H]1O SY224509 [0,0,0,1,0,0|2,0,1]=4 208 B8R1.11 C#C[C@@H]1CCC[C@H]1O SY122583 [0,0,0,1,0,0|2,0,1]=4 209 B8R1.11 CN1CCCC1CN SY065143 [0,0,0,1,0,0|2,0,1]=4 210 B8R1.11 CN1CCC[C@@H]1CO SY023398 [0,0,0,1,0,0|1,0,2]=4 211 B8R1.11 CN1CCC[C@H]1CO SY004710 [0,0,0,1,0,0|1,0,2]=4 212 B8R1.11 N#CC1CCCC1=O SY064897 [0,0,0,1,0,0|1,0,1]=3 213 B8R1.11 N#CC1COCC1=O SY099400 [0,0,0,1,0,0|2,0,1]=4 214 B8R1.11 NC1CCCC1CO SY284162 [0,0,0,1,0,0|1,0,2]=4 215 B8R1.11 NCC1CCCC1=O SY158694 [0,0,0,1,0,0|1,0,0]=2 216 B8R1.11 NCC1CCCC1N SY043206 [0,0,0,1,0,0|2,0,1]=4 217 B8R1.11 NCC1CCCC1O SY188444 [0,0,0,1,0,0|1,0,2]=4 218 B8R1.11 O=CC1=C(Cl)CCC1 SY264303 [0,0,0,1,0,0|1,0,2]=4 219 B8R1.11 O=CN1CCCC1=O SY270795 [0,0,0,1,0,0|2,0,1]=4 220 B8R1.22 CC1CCNCCN1 SY033449 [0,0,0,1,0,0|2,0,1]=4 221 B8R1.22 CC1CNCCCO1 SY124393 [0,0,0,1,0,0|1,0,2]=4 222 B8R1.22 CN1CCCNCC1 SY002818 [0,0,0,1,0,0|3,0,0]=4 223 B8R1.22 N[C@H]1CCCNCC1 SY280406 [0,0,0,1,0,0|2,0,1]=4 224 B8R1.22 O=C1C=CCCCC1 SY041083 [0,0,0,1,0,0|0,0,2]=3 225 B8R1.22 O=C1CCCCNC1 SY040205 [0,0,0,1,0,0|1,0,0]=2 226 B8R1.22 O=C1CCCNCC1 SY017922 [0,0,0,1,0,0|1,0,0]=2 227 B8R1.22 O=C1CCCOCC1 SY036485 [0,0,0,1,0,0|1,0,0]=2 228 B8R1.22 O=C1CCNCCN1 SY019808 [0,0,0,1,0,0|2,0,0]=3 229 B8R1.22 O=C1CCNCCN1 SY075066 [0,0,0,1,0,0|2,0,0]=3 230 B8R1.22 O=C1CCOCCN1 SY029460 [0,0,0,1,0,0|2,0,0]=3 231 B8R1.22 O=C1CNCCCN1 SY032801 [0,0,0,1,0,0|2,0,0]=3 232 B8R1.22 OC1CCCOCC1 SY036492 [0,0,0,1,0,0|1,0,2]=4 233 B8R1.36 OCCNCC1CC1 SY033845 [0,0,0,1,0,0|1,0,2]=4 234 B8R1.49 C1=CCCC=CCC1 SY001179 [0,0,0,1,0,0|1,0,2]=4 235 B8R1.49 C1=CCCC=CCC1 SY003233 [0,0,0,1,0,0|1,0,2]=4 236 B8R1.49 C1=CCCC=CCC1 SY008854 [0,0,0,1,0,0|1,0,2]=4 237 B8R1.49 C1=CCCC=CCC1 SY010304 [0,0,0,1,0,0|1,0,2]=4 238 B8R1.49 C1=CCCCCCC1 SY010202 [0,0,0,1,0,0|1,0,0]=2 239 B8R1.49 C1CNCCCNC1 SY300849 [0,0,0,1,0,0|2,0,1]=4 240 B8R1.49 C1CNCCCNC1 SY307739 [0,0,0,1,0,0|2,0,1]=4 241 B5R0.2 C=CCCCCl SY115227 [2,0,0,0,0,0|1,0,1]=4 242 B5R0.2 C=CCCCN SY039810 [2,0,0,0,0,0|1,0,1]=4 243 B5R0.2 CCC#CC=O SY301692 [2,0,0,0,0,0|0,0,2]=4 244 B5R0.2 CCCCNN SY048097 [2,0,0,0,0,0|2,0,0]=4 245 B5R0.2 CCCCON SY013356 [2,0,0,0,0,0|2,0,0]=4 246 B5R0.2 CCCCON SY019069 [2,0,0,0,0,0|2,0,0]=4 247 B5R0.2 CNCCSC SY020435 [2,0,0,0,0,0|2,0,0]=4 248 B5R0.2 ClCCCCI SY049669 [2,0,0,0,0,0|2,0,0]=4 249 B5R0.2 ICCCCI SY037746 [2,0,0,0,0,0|2,0,0]=4 250 B5R0.2 N#CCCC=O SY273827 [2,0,0,0,0,0|1,0,1]=4 251 B5R0.2 NCCCCBr SY113500 [2,0,0,0,0,0|2,0,0]=4 252 B5R0.2 NCCCCN SY004150 [2,0,0,0,0,0|2,0,0]=4 253 B5R0.2 NCCCCO SY001196 [2,0,0,0,0,0|1,0,1]=4 254 B7R0.3 CCCCC(O)CO SY049796 [1,1,0,0,0,0|0,0,1]=3 255 B7R0.3 CCCCN(C)CC SY311327 [1,1,0,0,0,0|1,0,1]=4 256 B7R0.3 CCCC[C@@H](N)CO SY038512 [1,1,0,0,0,0|0,0,1]=3 257 B7R0.3 CCCC[C@H](N)CO SY038520 [1,1,0,0,0,0|0,0,1]=3 258 B7R0.3 C[C@@H](CN)CCCO SY267124 [1,1,0,0,0,0|1,0,1]=4 259 B7R0.3 C[C@@H](CN)CCCO SY267125 [1,1,0,0,0,0|1,0,1]=4 260 B7R0.4 C#CCCCC(=O)O SY026710 [1,1,0,0,0,0|0,0,2]=4 261 B7R0.4 C=CCCCC(=O)O SY050075 [1,1,0,0,0,0|0,0,2]=4 262 B7R0.4 CC(=O)OCCCCl SY106444 [1,1,0,0,0,0|2,0,0]=4 263 B7R0.4 CC(C)CC=CC=O SY298528 [1,1,0,0,0,0|0,0,2]=4 264 B7R0.4 CC(C)CCCCO SY083602 [1,1,0,0,0,0|0,0,1]=3 265 B7R0.4 CC(C)CCCON SY281839 [1,1,0,0,0,0|2,0,0]=4 266 B7R0.4 CC(C)CCCON SY281840 [1,1,0,0,0,0|2,0,0]=4 267 B7R0.4 CC(O)CSCCO SY269034 [1,1,0,0,0,0|1,0,1]=4 268 B7R0.4 CCCCCC(N)=O SY051726 [1,1,0,0,0,0|0,0,0]=2 269 B7R0.4 CCCCC[N+](=O)[O-] SY266558 [1,1,0,0,0,0|1,0,0]=3 270 B7R0.4 CCCNCC(C)C SY034221 [1,1,0,0,0,0|1,0,1]=4 271 B7R0.4 CCCOCC(=O)O SY025048 [1,1,0,0,0,0|1,0,0]=3 272 B7R0.4 CNCCCC(=O)O SY032531 [1,1,0,0,0,0|1,0,0]=3 273 B7R0.4 COCCCC(=O)O SY045907 [1,1,0,0,0,0|1,0,0]=3 274 B7R0.4 COCCC[N+](=O)[O-] SY266522 [1,1,0,0,0,0|2,0,0]=4 275 B7R0.4 N#CCCCC(=O)O SY008532 [1,1,0,0,0,0|1,0,1]=4 276 B7R0.4 NC(=O)CCCCBr SY253590 [1,1,0,0,0,0|1,0,0]=3 277 B7R0.4 NC(=O)CCCCCl SY184285 [1,1,0,0,0,0|1,0,0]=3 278 B7R0.4 NC(=O)COCCCl SY007262 [1,1,0,0,0,0|2,0,0]=4 279 B7R0.4 NCCCCC(=O)O SY002964 [1,1,0,0,0,0|1,0,0]=3 280 B7R0.4 NCCCCC(N)=O SY247757 [1,1,0,0,0,0|1,0,0]=3 281 B7R0.4 O=C(Cl)CCCCF SY270893 [1,1,0,0,0,0|1,0,0]=3 282 B7R0.4 O=C(O)CCCCCl SY051600 [1,1,0,0,0,0|1,0,0]=3 283 B7R0.4 O=C(O)CCCCS SY141369 [1,1,0,0,0,0|1,0,0]=3 284 B7R0.4 O=C(O)COCCCl SY030518 [1,1,0,0,0,0|2,0,0]=4 285 B7R0.4 O=C([O-])CCCCO SY019284 [1,1,0,0,0,0|1,0,0]=3 286 B7R0.4 O=[N+]([O-])CCCCBr SY266567 [1,1,0,0,0,0|2,0,0]=4 287 B7R0.4 O=[N+]([O-])CCCCCl SY266516 [1,1,0,0,0,0|2,0,0]=4 288 B7R0.4 O=[N+]([O-])CCCCO SY235738 [1,1,0,0,0,0|2,0,0]=4 289 B7R0.7 CCCC(Br)CCC SY016752 [1,1,0,0,0,0|0,0,1]=3 290 B7R0.7 CCCC(N)CCC SY024496 [1,1,0,0,0,0|0,0,1]=3 291 B7R0.7 CCC[C@H](N)CCO SY117417 [1,1,0,0,0,0|0,0,1]=3 292 B7R0.7 OCCC(O)CCO SY284695 [1,1,0,0,0,0|1,0,1]=4 293 B9R0.4 CCCCC(C)OC(=O)Cl SY250032 [0,2,0,0,0,0|1,0,0]=3 294 B9R0.4 CCCCC(N)CC(=O)O SY013375 [0,2,0,0,0,0|0,0,0]=2 295 B9R0.4 CCCC[C@H](C)CC(=O)O SY253397 [0,2,0,0,0,0|0,0,0]=2 296 B9R0.4 CSCC[C@@H](N)CC(=O)O SY254064 [0,2,0,0,0,0|1,0,0]=3 297 B9R0.40 CCCCC(CO)CCC SY298970 [0,2,0,0,0,0|1,0,1]=4 298 B9R0.48 CCCC(Cl)CCC(=O)Cl SY027789 [0,2,0,0,0,0|0,0,0]=2 299 B9R0.48 CCOC(=O)CCC(=O)O SY058510 [0,2,0,0,0,0|1,0,1]=4 300 B9R0.66 C#CCC(C)(O)CCCC SY041514 [0,2,0,0,0,0|1,0,1]=4 301 B9R0.2 C#CCCCCCC(=O)O SY028715 [0,2,0,0,0,0|0,0,1]=3 302 B9R0.2 C=CCCCCCC(=O)O SY240016 [0,2,0,0,0,0|0,0,1]=3 303 B9R0.2 C=CCCCCC[N+](=O)[O-] SY266537 [0,2,0,0,0,0|1,0,1]=4 304 B9R0.2 CC(=O)NCCCCCN SY262838 [0,2,0,0,0,0|1,0,0]=3 305 B9R0.2 CC(=O)OCCCCCBr SY048649 [0,2,0,0,0,0|1,0,0]=3 306 B9R0.2 CCCCCCCC(=O)[O-] SY014939 [0,2,0,0,0,0|0,0,0]=2 307 B9R0.2 CCCCCCC[N+](=O)[O-] SY266539 [0,2,0,0,0,0|0,0,1]=3 308 B9R0.2 CCC\C=C/CCC(=O)O SY273608 [0,2,0,0,0,0|0,0,1]=3 309 B9R0.2 CCC\C=C\CCC(=O)O SY285302 [0,2,0,0,0,0|0,0,1]=3 310 B9R0.2 COCCOCCC(=O)O SY036257 [0,2,0,0,0,0|1,0,0]=3 311 B9R0.2 NC(=O)CCCCCCO SY247978 [0,2,0,0,0,0|0,0,0]=2 312 B9R0.2 NCCCCCCC(=O)O SY034831 [0,2,0,0,0,0|0,0,0]=2 313 B9R0.2 NCCCCCCC(N)=O SY247975 [0,2,0,0,0,0|0,0,0]=2 314 B9R0.2 O=C(O)CCCCCCBr SY015073 [0,2,0,0,0,0|0,0,0]=2 315 B9R0.2 O=[N+]([O-])CCCCCCBr SY266565 [0,2,0,0,0,0|1,0,0]=3 316 B9R0.2 O=[N+]([O-])CCCCCCCl SY266517 [0,2,0,0,0,0|1,0,0]=3 317 B9R0.2 O=[N+]([O-])CCCCCCO SY266580 [0,2,0,0,0,0|1,0,0]=3 318 B9R0.45 BrCCCCCCCCBr SY013819 [0,2,0,0,0,0|1,0,1]=4 319 B9R0.45 C#CCCCCCCCO SY105480 [0,2,0,0,0,0|0,0,2]=4 320 B9R0.45 C=CCCCCCCCBr SY105453 [0,2,0,0,0,0|1,0,0]=3 321 B9R0.45 CCCCCCCCC=O SY016777 [0,2,0,0,0,0|0,0,0]=2 322 B9R0.45 NCCCCCCCCO SY055500 [0,2,0,0,0,0|0,0,2]=4 323 B9R0.45 O=CCCCCCCCBr SY299590 [0,2,0,0,0,0|0,0,0]=2 324 B9R0.45 OCCCCCCCCBr SY019465 [0,2,0,0,0,0|0,0,2]=4 325 B9R0.45 OCCCCCCCCCl SY019464 [0,2,0,0,0,0|0,0,2]=4 326 B9R0.45 OCCCCCCCCO SY006277 [0,2,0,0,0,0|0,0,2]=4 327 B9R0.45 [N-]=[N+]=NCCCCCCBr SY297124 [0,2,0,0,0,0|2,0,0]=4 328 B9R0.46 C=CC(=O)OCCCCCl SY225442 [0,2,0,0,0,0|2,0,0]=4 329 B9R0.46 CCCCCCC(O)CO SY031445 [0,2,0,0,0,0|0,0,2]=4 330 B9R0.46 COC(=O)CCCCC=O SY042645 [0,2,0,0,0,0|0,0,1]=3 331 B9R0.46 COC(=O)CCCCCBr SY018348 [0,2,0,0,0,0|1,0,0]=3 332 B9R0.46 COC(=O)CCCCCN SY025881 [0,2,0,0,0,0|1,0,0]=3 333 B9R0.46 COC(=O)CCCCCO SY201227 [0,2,0,0,0,0|1,0,0]=3 334 B9R0.46 COC(=O)CCNCCO SY031365 [0,2,0,0,0,0|2,0,0]=4 335 B9R0.46 COC(=O)COCCCBr SY231297 [0,2,0,0,0,0|2,0,0]=4 336 B9R0.46 COCCCCC(=O)OC SY263824 [0,2,0,0,0,0|1,0,0]=3 337 B9R0.1 COC(=O)CCCC(=O)O SY029949 [0,2,0,0,0,0|1,0,1]=4 338 B9R0.1 COC(=O)CCCC(C)=O SY113736 [0,2,0,0,0,0|1,0,1]=4 339 B9R0.47 CCSCC[C@H](N)C(=O)O SY101955 [0,2,0,0,0,0|1,0,0]=3 340 B9R0.47 NCCCCC(N)C(=O)O SY006120 [0,2,0,0,0,0|1,0,0]=3 341 B9R0.47 NCCCC[C@@H](N)C(=O)O SY007003 [0,2,0,0,0,0|1,0,0]=3 342 B9R0.47 NCCCC[C@@H](N)C(=O)O SY279831 [0,2,0,0,0,0|1,0,0]=3 343 B9R0.47 NCCCC[C@H](N)C(=O)O SY006447 [0,2,0,0,0,0|1,0,0]=3 344 B9R0.47 NCCCC[C@H](N)C(=O)O SY018594 [0,2,0,0,0,0|1,0,0]=3 345 B9R0.47 NCCCC[C@H](N)C(=O)O SY030505 [0,2,0,0,0,0|1,0,0]=3 346 B9R0.47 NCCCC[C@H](N)C(=O)O SY036176 [0,2,0,0,0,0|1,0,0]=3 347 B9R0.50 CCCCCC(CO)CO SY129852 [0,2,0,0,0,0|0,0,2]=4 348 B9R0.38 CCCCCCC(C)(C)O SY289490 [0,2,0,0,0,0|0,0,2]=4 349 B9R0.38 CCCCCCS(=O)(=O)[O-] SY001279 [0,2,0,0,0,0|1,0,0]=3 350 B9R0.55 CC(=O)NCCCN(C)C SY028365 [0,2,0,0,0,0|2,0,0]=4 351 B9R0.55 CC(C)=CCCCC(=O)O SY253607 [0,2,0,0,0,0|0,0,2]=4 352 B9R0.55 CC(N)CCCCC(C)N SY270811 [0,2,0,0,0,0|1,0,1]=4 353 B9R0.55 CN(C)CCCCC(=O)O SY018643 [0,2,0,0,0,0|1,0,0]=3 354 B9R0.55 CN(C)CCCCC(=O)O SY019232 [0,2,0,0,0,0|1,0,0]=3 355 B7R1.1 BrCC1CCOC1 SY042030 [1,0,0,1,0,0|2,0,0]=4 356 B7R1.1 C#CC1CCCC1 SY047862 [1,0,0,1,0,0|0,0,2]=4 357 B7R1.1 CC[C@@H]1CCCN1 SY103107 [1,0,0,1,0,0|1,0,0]=3 358 B7R1.1 ClCC1CCCO1 SY049357 [1,0,0,1,0,0|1,0,1]=4 359 B7R1.1 FCC1CCNC1 SY265543 [1,0,0,1,0,0|2,0,0]=4 360 B7R1.1 FC[C@H]1CCCN1 SY098832 [1,0,0,1,0,0|2,0,0]=4 361 B7R1.1 NCC1CCCC1 SY013219 [1,0,0,1,0,0|1,0,0]=3 362 B7R1.1 NCC1CCCC1 SY025882 [1,0,0,1,0,0|1,0,0]=3 363 B7R1.1 NCC1CCOC1 SY042027 [1,0,0,1,0,0|2,0,0]=4 364 B7R1.1 NC[C@@H]1CCCO1 SY012535 [1,0,0,1,0,0|1,0,1]=4 365 B7R1.1 O=CC1CCCC1 SY004589 [1,0,0,1,0,0|0,0,0]=2 366 B7R1.1 O=CC1CCCO1 SY024520 [1,0,0,1,0,0|1,0,0]=3 367 B7R1.1 O=CC1CCOC1 SY046752 [1,0,0,1,0,0|1,0,0]=3 368 B7R1.1 O=CN1CCCC1 SY252984 [1,0,0,1,0,0|1,0,0]=3 369 B7R1.1 O=NN1CCCC1 SY115826 [1,0,0,1,0,0|2,0,0]=4 370 B7R1.1 OCC1CCCC1 SY006011 [1,0,0,1,0,0|0,0,1]=3 371 B7R1.1 OCC1CCCN1 SY013851 [1,0,0,1,0,0|1,0,1]=4 372 B7R1.1 OCC1CCNC1 SY018506 [1,0,0,1,0,0|1,0,1]=4 373 B7R1.1 OCC1CCNC1 SY021497 [1,0,0,1,0,0|1,0,1]=4 374 B7R1.1 OCC1CCOC1 SY030918 [1,0,0,1,0,0|1,0,1]=4 375 B7R1.1 OC[C@@H]1CCCO1 SY227666 [1,0,0,1,0,0|1,0,1]=4 376 B7R1.1 OC[C@@H]1CCNC1 SY008238 [1,0,0,1,0,0|1,0,1]=4 377 B7R1.1 OC[C@H]1CCCN1 SY013466 [1,0,0,1,0,0|1,0,1]=4 378 B7R1.1 OC[C@H]1CCCO1 SY106537 [1,0,0,1,0,0|1,0,1]=4 379 B7R1.1 OC[C@H]1CCNC1 SY008227 [1,0,0,1,0,0|1,0,1]=4 380 B7R1.3 BrC1=CCCCC1 SY253165 [1,0,0,1,0,0|1,0,1]=4 381 B7R1.3 BrC1CCCOC1 SY005937 [1,0,0,1,0,0|2,0,0]=4 382 B7R1.3 BrC1CCNCC1 SY013399 [1,0,0,1,0,0|2,0,0]=4 383 B7R1.3 BrC1CCOCC1 SY002700 [1,0,0,1,0,0|2,0,0]=4 384 B7R1.3 C=C1CCNCC1 SY022740 [1,0,0,1,0,0|1,0,1]=4 385 B7R1.3 CC1CNCCO1 SY008226 [1,0,0,1,0,0|1,0,1]=4 386 B7R1.3 CC1COCCN1 SY028991 [1,0,0,1,0,0|2,0,0]=4 387 B7R1.3 C[C@@H]1CCCNC1 SY069171 [1,0,0,1,0,0|1,0,1]=4 388 B7R1.3 C[C@@H]1CNCCN1 SY004931 [1,0,0,1,0,0|2,0,0]=4 389 B7R1.3 C[C@@H]1CNCCO1 SY021208 [1,0,0,1,0,0|1,0,1]=4 390 B7R1.3 C[C@@H]1CNCCO1 SY032742 [1,0,0,1,0,0|1,0,1]=4 391 B7R1.3 C[C@@H]1COCCN1 SY021211 [1,0,0,1,0,0|2,0,0]=4 392 B7R1.3 C[C@@H]1COCCN1 SY023875 [1,0,0,1,0,0|2,0,0]=4 393 B7R1.3 C[C@H]1CCCNC1 SY115150 [1,0,0,1,0,0|1,0,1]=4 394 B7R1.3 C[C@H]1CCCNC1 SY273114 [1,0,0,1,0,0|1,0,1]=4 395 B7R1.3 C[C@H]1CNCCO1 SY021210 [1,0,0,1,0,0|1,0,1]=4 396 B7R1.3 C[C@H]1CNCCO1 SY043150 [1,0,0,1,0,0|1,0,1]=4 397 B7R1.3 C[C@H]1COCCN1 SY002673 [1,0,0,1,0,0|2,0,0]=4 398 B7R1.3 C[C@H]1COCCN1 SY023874 [1,0,0,1,0,0|2,0,0]=4 399 B7R1.3 ClC1C=CCCC1 SY054691 [1,0,0,1,0,0|1,0,1]=4 400 B7R1.3 ClC1CCNCC1 SY046580 [1,0,0,1,0,0|2,0,0]=4 401 B7R1.3 ClC1CCOCC1 SY051140 [1,0,0,1,0,0|2,0,0]=4 402 B7R1.3 FC1CCCNC1 SY010384 [1,0,0,1,0,0|2,0,0]=4 403 B7R1.3 FC1CCNCC1 SY010389 [1,0,0,1,0,0|2,0,0]=4 404 B7R1.3 FC1CCNCC1 SY020129 [1,0,0,1,0,0|2,0,0]=4 405 B7R1.3 IC1CCOCC1 SY004489 [1,0,0,1,0,0|2,0,0]=4 406 B7R1.3 NC1CCCNC1 SY020460 [1,0,0,1,0,0|2,0,0]=4 407 B7R1.3 NC1CCOCC1 SY013112 [1,0,0,1,0,0|2,0,0]=4 408 B7R1.3 NC1CCSCC1 SY042938 [1,0,0,1,0,0|2,0,0]=4 409 B7R1.3 N[C@@H]1CCCNC1 SY008763 [1,0,0,1,0,0|2,0,0]=4 410 B7R1.3 N[C@@H]1CCCOC1 SY023981 [1,0,0,1,0,0|2,0,0]=4 411 B7R1.3 N[C@H]1CCCNC1 SY009305 [1,0,0,1,0,0|2,0,0]=4 412 B7R1.3 N[C@H]1CCCOC1 SY023980 [1,0,0,1,0,0|2,0,0]=4 413 B7R1.3 O=C1CCCCN1 SY011119 [1,0,0,1,0,0|1,0,0]=3 414 B7R1.3 O=C1CCCCO1 SY018264 [1,0,0,1,0,0|1,0,0]=3 415 B7R1.3 O=C1CCCCS1 SY222230 [1,0,0,1,0,0|1,0,0]=3 416 B7R1.3 O=C1CCCNC1 SY025656 [1,0,0,1,0,0|1,0,0]=3 417 B7R1.3 O=C1CCCOC1 SY003102 [1,0,0,1,0,0|1,0,0]=3 418 B7R1.3 O=C1CCNCC1 SY002027 [1,0,0,1,0,0|1,0,0]=3 419 B7R1.3 O=C1CCNCC1 SY107185 [1,0,0,1,0,0|1,0,0]=3 420 B7R1.3 O=C1CCSCC1 SY007101 [1,0,0,1,0,0|1,0,0]=3 421 B7R1.3 O=C1CNCCN1 SY002559 [1,0,0,1,0,0|2,0,0]=4 422 B7R1.3 O=C1CNCCO1 SY047308 [1,0,0,1,0,0|2,0,0]=4 423 B7R1.3 O=C1COCCN1 SY003974 [1,0,0,1,0,0|2,0,0]=4 424 B7R1.3 O=C1COCCO1 SY055447 [1,0,0,1,0,0|2,0,0]=4 425 B7R1.3 O=C1CSCCN1 SY082963 [1,0,0,1,0,0|2,0,0]=4 426 B7R1.3 O=C1NCCCO1 SY005699 [1,0,0,1,0,0|2,0,0]=4 427 B7R1.3 OC1CCCCO1 SY009592 [1,0,0,1,0,0|1,0,1]=4 428 B7R1.3 OC1CCCNC1 SY002024 [1,0,0,1,0,0|1,0,1]=4 429 B7R1.3 OC1CCCOC1 SY021770 [1,0,0,1,0,0|1,0,1]=4 430 B7R1.3 OC1CCNCC1 SY025543 [1,0,0,1,0,0|1,0,1]=4 431 B7R1.3 OC1CCOCC1 SY002687 [1,0,0,1,0,0|1,0,1]=4 432 B7R1.3 OC1CCSCC1 SY019603 [1,0,0,1,0,0|1,0,1]=4 433 B7R1.3 O[C@@H]1CCCNC1 SY017793 [1,0,0,1,0,0|1,0,1]=4 434 B7R1.3 O[C@H]1CCCNC1 SY020871 [1,0,0,1,0,0|1,0,1]=4 435 B7R1.4 CC1CCCC1=O SY045483 [1,0,0,1,0,0|0,0,0]=2 436 B7R1.4 CC1CCOC1=O SY051660 [1,0,0,1,0,0|1,0,0]=3 437 B7R1.4 CC1OCCC1=O SY001818 [1,0,0,1,0,0|1,0,0]=3 438 B7R1.4 CC1SCCC1=O SY003998 [1,0,0,1,0,0|1,0,0]=3 439 B7R1.4 C[C@@H]1CNC[C@@H]1O SY124368 [1,0,0,1,0,0|1,0,1]=4 440 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|1,0,1]=4 442 B7R1.4 NC1CCOC1=O SY111957 [1,0,0,1,0,0|2,0,0]=4 443 B7R1.4 NC1CCSC1=O SY038927 [1,0,0,1,0,0|2,0,0]=4 444 B7R1.4 NN1CCCC1=O SY105332 [1,0,0,1,0,0|2,0,0]=4 445 B7R1.4 N[C@@H]1CCC[C@@H]1O SY002754 [1,0,0,1,0,0|1,0,1]=4 446 B7R1.4 N[C@@H]1CCC[C@H]1O SY002755 [1,0,0,1,0,0|1,0,1]=4 447 B7R1.4 N[C@@H]1CCC[C@H]1O SY004738 [1,0,0,1,0,0|1,0,1]=4 448 B7R1.4 N[C@@H]1CCC[C@H]1O SY029613 [1,0,0,1,0,0|1,0,1]=4 449 B7R1.4 N[C@@H]1CCNC1=O SY034730 [1,0,0,1,0,0|2,0,0]=4 450 B7R1.4 N[C@@H]1CCOC1=O SY017502 [1,0,0,1,0,0|2,0,0]=4 451 B7R1.4 N[C@H]1CCC[C@@H]1O SY003862 [1,0,0,1,0,0|1,0,1]=4 452 B7R1.4 N[C@H]1CCC[C@H]1O SY003863 [1,0,0,1,0,0|1,0,1]=4 453 B7R1.4 N[C@H]1CCNC1=O SY022467 [1,0,0,1,0,0|2,0,0]=4 454 B7R1.4 N[C@H]1CCOC1=O SY027501 [1,0,0,1,0,0|2,0,0]=4 455 B7R1.4 N[C@H]1CCOC1=O SY030497 [1,0,0,1,0,0|2,0,0]=4 456 B7R1.4 O=C1CCCC1=O SY057516 [1,0,0,1,0,0|1,0,1]=4 457 B7R1.4 O=C1CCCC1F SY200677 [1,0,0,1,0,0|1,0,0]=3 458 B7R1.4 O=C1NCCC1Br SY067750 [1,0,0,1,0,0|2,0,0]=4 459 B7R1.4 O=C1NCCC1O SY017439 [1,0,0,1,0,0|2,0,0]=4 460 B7R1.4 O=C1NCC[C@@H]1O SY020466 [1,0,0,1,0,0|2,0,0]=4 461 B7R1.4 O=C1OCCC1Br SY001762 [1,0,0,1,0,0|2,0,0]=4 462 B7R1.4 O=C1OCCC1O SY052569 [1,0,0,1,0,0|2,0,0]=4 463 B7R1.4 O=C1OCC[C@@H]1O SY027538 [1,0,0,1,0,0|2,0,0]=4 464 B7R1.4 OC1CCCC1F SY273252 [1,0,0,1,0,0|1,0,1]=4 465 B7R1.4 OC1CCCC1O SY007557 [1,0,0,1,0,0|1,0,1]=4 466 B7R1.4 O[C@@H]1CCC[C@H]1Cl SY058932 [1,0,0,1,0,0|1,0,1]=4 467 B7R1.4 O[C@@H]1CCC[C@H]1F SY273251 [1,0,0,1,0,0|1,0,1]=4 468 B7R1.4 O[C@@H]1CCC[C@H]1O SY028304 [1,0,0,1,0,0|1,0,1]=4 469 B7R1.6 COCC1CCN1 SY122024 [1,0,0,1,0,0|2,0,0]=4 470 B7R1.6 ICCC1COC1 SY249454 [1,0,0,1,0,0|2,0,0]=4 471 B7R1.6 NCCC1CNC1 SY263737 [1,0,0,1,0,0|2,0,0]=4 472 B7R1.6 NCCN1CCC1 SY099362 [1,0,0,1,0,0|2,0,0]=4 473 B7R1.6 NOCC1CCC1 SY216380 [1,0,0,1,0,0|2,0,0]=4 474 B7R1.6 NOCC1CCC1 SY281574 [1,0,0,1,0,0|2,0,0]=4 475 B7R1.6 O=CCC1CCC1 SY025254 [1,0,0,1,0,0|0,0,0]=2 476 B7R1.6 OCCC1CCO1 SY099736 [1,0,0,1,0,0|1,0,1]=4 477 B7R1.6 OCCC1COC1 SY097532 [1,0,0,1,0,0|1,0,1]=4 478 B7R1.7 CCCCC1CO1 SY049832 [1,0,0,1,0,0|0,0,1]=3 479 B7R1.7 O=C\C=C\C1CC1 SY298530 [1,0,0,1,0,0|0,0,2]=4 480 B7R1.8 CN1CC[C@H]1CN SY284568 [1,0,0,1,0,0|2,0,0]=4 481 B7R1.9 COC1CC1C=O SY277013 [1,0,0,1,0,0|1,0,0]=3 482 B7R1.24 C1CNCCOC1 SY002594 [1,0,0,1,0,0|1,0,1]=4 483 B7R1.24 C1CNCCOC1 SY023485 [1,0,0,1,0,0|1,0,1]=4 484 B9R1.2 CCC1CC(=O)CCN1 SY278089 [0,1,0,1,0,0|1,0,0]=3 485 B9R1.2 CCC1CCCC(O)C1 SY033582 [0,1,0,1,0,0|0,0,2]=4 486 B9R1.2 CCC1CCNC(=O)C1 SY163712 [0,1,0,1,0,0|1,0,0]=3 487 B9R1.2 N#C[C@@H]1CCC[C@@H](N)C1 SY249383 [0,1,0,1,0,0|1,0,1]=4 488 B9R1.2 N#C[C@@H]1CCC[C@H](O)C1 SY249382 [0,1,0,1,0,0|1,0,1]=4 489 B9R1.2 NCC1CCCC(O)C1 SY019314 [0,1,0,1,0,0|1,0,1]=4 490 B9R1.2 O=C1CC(CBr)CCN1 SY263150 [0,1,0,1,0,0|2,0,0]=4 491 B9R1.2 O=C1CC(CO)CCN1 SY042203 [0,1,0,1,0,0|2,0,0]=4 492 B9R1.7 CCC[C@H]1COC(=O)C1 SY039698 [0,1,0,1,0,0|1,0,0]=3 493 B9R1.7 NCCC1CCC(F)C1 SY233125 [0,1,0,1,0,0|1,0,1]=4 494 B9R1.7 NCCC1CCC(F)C1 SY237132 [0,1,0,1,0,0|1,0,1]=4 495 B9R1.8 BrCCC1CCCCC1 SY059439 [0,1,0,1,0,0|1,0,1]=4 496 B9R1.8 BrCCC1CCNCC1 SY262909 [0,1,0,1,0,0|1,0,1]=4 497 B9R1.8 BrCCC1CCOCC1 SY023337 [0,1,0,1,0,0|1,0,1]=4 498 B9R1.8 BrCCN1CCCCC1 SY040485 [0,1,0,1,0,0|1,0,1]=4 499 B9R1.8 C#CCC1CCNCC1 SY262048 [0,1,0,1,0,0|1,0,1]=4 500 B9R1.8 CCCC1=CC=CCC1 SY292099 [0,1,0,1,0,0|1,0,1]=4 501 B9R1.8 CCCN1CCCCC1 SY275647 [0,1,0,1,0,0|1,0,1]=4 502 B9R1.8 CNCC1CCOCC1 SY030643 [0,1,0,1,0,0|2,0,0]=4 503 B9R1.8 COCC1CCNCC1 SY005448 [0,1,0,1,0,0|2,0,0]=4 504 B9R1.8 ClCCC1CCNCC1 SY247767 [0,1,0,1,0,0|1,0,1]=4 505 B9R1.8 N#CCC1CCNCC1 SY148451 [0,1,0,1,0,0|1,0,1]=4 506 B9R1.8 NCCC1CCCCC1 SY024342 [0,1,0,1,0,0|1,0,1]=4 507 B9R1.8 NCCC1CCOCC1 SY025283 [0,1,0,1,0,0|1,0,1]=4 508 B9R1.8 NCCC1CCOCC1 SY106797 [0,1,0,1,0,0|1,0,1]=4 509 B9R1.8 NCCC1CCSCC1 SY030714 [0,1,0,1,0,0|1,0,1]=4 510 B9R1.8 NNCC1CCCCC1 SY048084 [0,1,0,1,0,0|1,0,1]=4 511 B9R1.8 NOCC1CCCCC1 SY281548 [0,1,0,1,0,0|0,0,2]=4 512 B9R1.8 NOCC1CCCCC1 SY281549 [0,1,0,1,0,0|0,0,2]=4 513 B9R1.8 NOCC1CCOCC1 SY281581 [0,1,0,1,0,0|2,0,0]=4 514 B9R1.8 NOCC1CCOCC1 SY281582 [0,1,0,1,0,0|2,0,0]=4 515 B9R1.8 O=CCC1CCCCC1 SY025196 [0,1,0,1,0,0|0,0,0]=2 516 B9R1.8 O=CNC1CCOCC1 SY278311 [0,1,0,1,0,0|1,0,0]=3 517 B9R1.8 OCCC1CCCCC1 SY011885 [0,1,0,1,0,0|0,0,2]=4 518 B9R1.8 OCCC1CCCNC1 SY011954 [0,1,0,1,0,0|0,0,2]=4 519 B9R1.8 OCCC1CCNCC1 SY002532 [0,1,0,1,0,0|0,0,2]=4 520 B9R1.8 OCCC1CCOCC1 SY022782 [0,1,0,1,0,0|0,0,2]=4 521 B9R1.8 OCCN1CCCCC1 SY009520 [0,1,0,1,0,0|0,0,2]=4 522 B9R1.12 BrCCCN1CCCC1 SY040487 [0,1,0,1,0,0|1,0,1]=4 523 B9R1.12 ClCCCN1CCCC1 SY003325 [0,1,0,1,0,0|1,0,1]=4 524 B9R1.12 ClCCCN1CCCC1 SY234060 [0,1,0,1,0,0|1,0,1]=4 525 B9R1.12 N#C\C=C\C1CCCC1 SY097685 [0,1,0,1,0,0|1,0,1]=4 526 B9R1.12 NCCCC1CCCC1 SY057560 [0,1,0,1,0,0|1,0,1]=4 527 B9R1.12 NCCCN1CCCC1 SY012644 [0,1,0,1,0,0|1,0,1]=4 528 B9R1.12 NCCOC1CCCC1 SY006718 [0,1,0,1,0,0|1,0,1]=4 529 B9R1.12 NCCOC1CCCC1 SY007808 [0,1,0,1,0,0|1,0,1]=4 530 B9R1.12 O=C\C=C\C1CCCC1 SY298529 [0,1,0,1,0,0|0,0,1]=3 531 B9R1.12 OCCCN1CCCC1 SY024340 [0,1,0,1,0,0|0,0,2]=4 532 B9R1.12 OCCOC1CCCC1 SY006714 [0,1,0,1,0,0|0,0,2]=4 533 B9R1.15 C#CC1CCCCN1C SY284794 [0,1,0,1,0,0|1,0,1]=4 534 B9R1.15 CC1CCCCC1NN SY047251 [0,1,0,1,0,0|1,0,1]=4 535 B9R1.15 CCC1CNCCC1=O SY286864 [0,1,0,1,0,0|0,0,0]=2 536 B9R1.15 CCC1NCCCC1=O SY064260 [0,1,0,1,0,0|0,0,0]=2 537 B9R1.15 CN1CCCCC1C=O SY234138 [0,1,0,1,0,0|0,0,0]=2 538 B9R1.15 CN1CCCCC1CO SY005303 [0,1,0,1,0,0|0,0,2]=4 539 B9R1.15 CO[C@@H]1COCCC1=O SY289176 [0,1,0,1,0,0|1,0,0]=3 540 B9R1.15 N[C@@H]1CCCC[C@H]1CO SY025328 [0,1,0,1,0,0|0,0,2]=4 541 B9R1.15 O=C1NCCCC1CO SY139027 [0,1,0,1,0,0|1,0,0]=3 542 B9R1.15 O=CC1=C(Br)CCCC1 SY266273 [0,1,0,1,0,0|0,0,2]=4 543 B9R1.15 O=CC1=C(Cl)CCCC1 SY248049 [0,1,0,1,0,0|0,0,2]=4 544 B9R1.15 OCC1=C(Br)CCCC1 SY265157 [0,1,0,1,0,0|1,0,1]=4 545 B9R1.27 CC1CCC(Cl)=C1C=O SY273517 [0,1,0,1,0,0|0,0,2]=4 546 B9R1.27 CCC1C(=O)CCC1=O SY042427 [0,1,0,1,0,0|0,0,1]=3 547 B9R1.33 CN1CCCC1CCN SY050705 [0,1,0,1,0,0|1,0,1]=4 548 B9R1.33 CN1CCCC1CCO SY014916 [0,1,0,1,0,0|0,0,2]=4 549 B9R1.33 NCCN1CCCC1=O SY079324 [0,1,0,1,0,0|1,0,0]=3 550 B9R1.33 NCCN1CCNC1=O SY062930 [0,1,0,1,0,0|2,0,0]=4 551 B9R1.33 O=C1NCCN1CCBr SY263422 [0,1,0,1,0,0|2,0,0]=4 552 B9R1.48 O=C1CCCCC(=O)C1 SY011060 [0,1,0,1,0,0|0,0,1]=3 553 B9R1.48 O=C1CCCCC(=O)O1 SY033154 [0,1,0,1,0,0|1,0,1]=4 554 B9R1.48 O=C1CCCNC(=O)C1 SY028878 [0,1,0,1,0,0|1,0,1]=4 555 B9R1.49 CN1CCCC(=O)CC1 SY002715 [0,1,0,1,0,0|1,0,0]=3 556 B9R1.49 CN1CCNC(=O)CC1 SY022083 [0,1,0,1,0,0|2,0,0]=4 557 B9R1.49 N[C@@H]1CCC[C@H](O)CC1 SY280408 [0,1,0,1,0,0|0,0,2]=4 558 B9R1.50 O=C1CCCCCCN1 SY012301 [0,1,0,1,0,0|0,0,0]=2 559 B9R1.69 CC1CC(N)CCN1C SY025928 [0,1,0,1,0,0|2,0,0]=4 560 B9R1.69 CC1CCC(=O)CC1=O SY271609 [0,1,0,1,0,0|0,0,1]=3 561 B9R1.69 CC1CN(C)CCC1=O SY009715 [0,1,0,1,0,0|1,0,0]=3 562 B9R1.69 CN1CC(N)CCC1=O SY020379 [0,1,0,1,0,0|1,0,0]=3 563 B9R1.69 CN1CCC(=O)CC1=O SY026428 [0,1,0,1,0,0|1,0,1]=4 564 B9R1.69 CN1CCC(N)CC1=O SY029828 [0,1,0,1,0,0|1,0,0]=3 565 B9R1.5 CC1CCNCCN1C SY025923 [0,1,0,1,0,0|2,0,0]=4 566 B9R1.5 CN1CCNCCC1=O SY040462 [0,1,0,1,0,0|1,0,0]=3 567 B9R1.5 CN1CCNCCC1=O SY066105 [0,1,0,1,0,0|1,0,0]=3 568 B9R1.5 C[C@@H]1NCCCNC1=O SY271664 [0,1,0,1,0,0|1,0,0]=3 569 B9R1.5 C[C@H]1NCCCNC1=O SY267163 [0,1,0,1,0,0|1,0,0]=3 570 B9R1.5 NC1CCCCNC1=O SY005802 [0,1,0,1,0,0|1,0,0]=3 571 B9R1.5 N[C@@H]1CCCCNC1=O SY005803 [0,1,0,1,0,0|1,0,0]=3 572 B9R1.5 N[C@@H]1CCCCNC1=O SY030978 [0,1,0,1,0,0|1,0,0]=3 573 B9R1.5 O=C1CCCCCC1=O SY274002 [0,1,0,1,0,0|0,0,1]=3 574 B9R1.14 CCN1CCCC1CN SY007096 [0,1,0,1,0,0|1,0,1]=4 575 B9R1.14 CCN1CCCC1CO SY081976 [0,1,0,1,0,0|0,0,2]=4 576 B9R1.89 C#CC1CCCCCN1 SY284800 [0,1,0,1,0,0|1,0,1]=4 577 B9R1.1 CC1CCC(CBr)CC1 SY026798 [0,1,0,1,0,0|1,0,1]=4 578 B9R1.1 CC1CCC(CCl)CC1 SY026799 [0,1,0,1,0,0|1,0,1]=4 579 B9R1.1 CC1CCC(NN)CC1 SY047252 [0,1,0,1,0,0|2,0,0]=4 580 B9R1.1 CNC1CCC(O)CC1 SY010993 [0,1,0,1,0,0|2,0,0]=4 581 B9R1.1 CN[C@H]1CC[C@@H](N)CC1 SY275687 [0,1,0,1,0,0|2,0,0]=4 582 B9R1.1 CN[C@H]1CC[C@H](O)CC1 SY056651 [0,1,0,1,0,0|2,0,0]=4 583 B9R1.1 COC1CCC(N)CC1 SY018116 [0,1,0,1,0,0|2,0,0]=4 584 B9R1.1 COC1CCC(O)CC1 SY021061 [0,1,0,1,0,0|2,0,0]=4 585 B9R1.1 CO[C@H]1CC[C@H](N)CC1 SY012780 [0,1,0,1,0,0|2,0,0]=4 586 B9R1.1 CO[C@H]1CC[C@H](N)CC1 SY253086 [0,1,0,1,0,0|2,0,0]=4 587 B9R1.1 N#CC1CCC(N)CC1 SY283180 [0,1,0,1,0,0|1,0,1]=4 588 B9R1.1 N#CC1CCC(O)CC1 SY031509 [0,1,0,1,0,0|1,0,1]=4 589 B9R1.1 N#C[C@H]1CC[C@@H](N)CC1 SY309070 [0,1,0,1,0,0|1,0,1]=4 590 B9R1.1 N#C[C@H]1CC[C@H](N)CC1 SY129299 [0,1,0,1,0,0|1,0,1]=4 591 B9R1.1 N#C[C@H]1CC[C@H](N)CC1 SY309069 [0,1,0,1,0,0|1,0,1]=4 592 B9R1.1 N[C@H]1CC[C@@H](CF)CC1 SY294657 [0,1,0,1,0,0|1,0,1]=4 593 B9R1.1 N[C@H]1CC[C@@H](CF)CC1 SY294658 [0,1,0,1,0,0|1,0,1]=4 594 B9R1.1 N[C@H]1CC[C@H](CO)CC1 SY037104 [0,1,0,1,0,0|0,0,2]=4 595 B9R1.3 CC1C(=O)CCCC1=O SY036390 [0,1,0,1,0,0|0,0,1]=3 596 B9R1.3 CN1CCCC(Br)C1=O SY030813 [0,1,0,1,0,0|1,0,0]=3 597 B9R1.3 CN1CCCN(C)C1=O SY002520 [0,1,0,1,0,0|2,0,0]=4 598 B9R1.11 C#CC(O)C1CCCC1 SY045239 [0,1,0,1,0,0|1,0,1]=4 599 B9R1.118 NC1(CO)CCCCC1 SY295098 [0,1,0,1,0,0|0,0,2]=4 600 B9R1.118 O=NC1(Cl)CCCCC1 SY092821 [0,1,0,1,0,0|1,0,0]=3 601 B9R1.132 CN1CCC(CO)C1=O SY023947 [0,1,0,1,0,0|2,0,0]=4 602 B9R1.6 CC(=O)C1CCCCC1 SY013522 [0,1,0,1,0,0|0,0,0]=2 603 B9R1.6 CC(=O)C1CCNCC1 SY022101 [0,1,0,1,0,0|1,0,0]=3 604 B9R1.6 CC(=O)C1CCOCC1 SY023117 [0,1,0,1,0,0|1,0,0]=3 605 B9R1.6 CC(=O)N1CCCCC1 SY106654 [0,1,0,1,0,0|1,0,0]=3 606 B9R1.6 CC(=O)N1CCCNC1 SY263178 [0,1,0,1,0,0|2,0,0]=4 607 B9R1.6 CC(=O)N1CCNCC1 SY003405 [0,1,0,1,0,0|2,0,0]=4 608 B9R1.6 CC(=O)N1CCOCC1 SY040633 [0,1,0,1,0,0|2,0,0]=4 609 B9R1.6 CC(O)C1CCCCC1 SY101045 [0,1,0,1,0,0|0,0,2]=4 610 B9R1.6 N=C(N)C1CCOCC1 SY011687 [0,1,0,1,0,0|2,0,0]=4 611 B9R1.6 NC(=O)C1CCCCN1 SY036410 [0,1,0,1,0,0|1,0,0]=3 612 B9R1.6 NC(=O)C1CCCNC1 SY003156 [0,1,0,1,0,0|1,0,0]=3 613 B9R1.6 NC(=O)C1CCNCC1 SY005311 [0,1,0,1,0,0|1,0,0]=3 614 B9R1.6 NC(=O)C1CCOCC1 SY023532 [0,1,0,1,0,0|1,0,0]=3 615 B9R1.6 O=C(Cl)C1CCNCC1 SY283305 [0,1,0,1,0,0|1,0,0]=3 616 B9R1.6 O=C(Cl)C1CCOCC1 SY017904 [0,1,0,1,0,0|1,0,0]=3 617 B9R1.6 O=C(Cl)N1CCCCC1 SY046056 [0,1,0,1,0,0|1,0,0]=3 618 B9R1.6 O=C(O)C1=CCCCC1 SY027515 [0,1,0,1,0,0|0,0,2]=4 619 B9R1.6 O=C(O)C1CCCCN1 SY002975 [0,1,0,1,0,0|1,0,0]=3 620 B9R1.6 O=C(O)C1CCCCO1 SY003244 [0,1,0,1,0,0|1,0,0]=3 621 B9R1.6 O=C(O)C1CCCNC1 SY001864 [0,1,0,1,0,0|1,0,0]=3 622 B9R1.6 O=C(O)C1CCCOC1 SY020666 [0,1,0,1,0,0|1,0,0]=3 623 B9R1.6 O=C(O)C1CCNCC1 SY001425 [0,1,0,1,0,0|1,0,0]=3 624 B9R1.6 O=C(O)C1CCOCC1 SY003734 [0,1,0,1,0,0|1,0,0]=3 625 B9R1.6 O=C(O)C1CCSCC1 SY019842 [0,1,0,1,0,0|1,0,0]=3 626 B9R1.6 O=C(O)C1CNCCN1 SY002071 [0,1,0,1,0,0|2,0,0]=4 627 B9R1.6 O=C(O)C1CNCCN1 SY017866 [0,1,0,1,0,0|2,0,0]=4 628 B9R1.6 O=C(O)C1CNCCO1 SY004906 [0,1,0,1,0,0|2,0,0]=4 629 B9R1.6 O=C(O)C1CNCCO1 SY006475 [0,1,0,1,0,0|2,0,0]=4 630 B9R1.6 O=C(O)C1COCCN1 SY004043 [0,1,0,1,0,0|2,0,0]=4 631 B9R1.6 O=C(O)C1COCCN1 SY004044 [0,1,0,1,0,0|2,0,0]=4 632 B9R1.6 O=C(O)[C@@H]1CC=CCC1 SY097786 [0,1,0,1,0,0|0,0,2]=4 633 B9R1.6 O=C(O)[C@@H]1CCCCN1 SY003076 [0,1,0,1,0,0|1,0,0]=3 634 B9R1.6 O=C(O)[C@@H]1CCCCO1 SY100445 [0,1,0,1,0,0|1,0,0]=3 635 B9R1.6 O=C(O)[C@@H]1CCCNC1 SY102436 [0,1,0,1,0,0|1,0,0]=3 636 B9R1.6 O=C(O)[C@@H]1CNCCN1 SY004769 [0,1,0,1,0,0|2,0,0]=4 637 B9R1.6 O=C(O)[C@@H]1CNCCO1 SY115265 [0,1,0,1,0,0|2,0,0]=4 638 B9R1.6 O=C(O)[C@@H]1COCCN1 SY003807 [0,1,0,1,0,0|2,0,0]=4 639 B9R1.6 O=C(O)[C@@H]1COCCN1 SY030470 [0,1,0,1,0,0|2,0,0]=4 640 B9R1.6 O=C(O)[C@H]1CC=CCC1 SY098140 [0,1,0,1,0,0|0,0,2]=4 641 B9R1.6 O=C(O)[C@H]1CCCCN1 SY003075 [0,1,0,1,0,0|1,0,0]=3 642 B9R1.6 O=C(O)[C@H]1CCCNC1 SY018213 [0,1,0,1,0,0|1,0,0]=3 643 B9R1.6 O=C(O)[C@H]1CCCNC1 SY057637 [0,1,0,1,0,0|1,0,0]=3 644 B9R1.6 O=C(O)[C@H]1CNCCN1 SY004767 [0,1,0,1,0,0|2,0,0]=4 645 B9R1.6 O=C(O)[C@H]1COCCN1 SY005109 [0,1,0,1,0,0|2,0,0]=4 646 B9R1.6 O=C([O-])C1CCCCN1 SY267299 [0,1,0,1,0,0|1,0,0]=3 647 B9R1.6 OB(O)C1CCCCC1 SY008103 [0,1,0,1,0,0|1,0,1]=4 648 B9R1.13 O=C(O)CC1CCNC1 SY096981 [0,1,0,1,0,0|1,0,0]=3 649 B9R1.13 O=C(O)CC1CCOC1 SY039684 [0,1,0,1,0,0|1,0,0]=3 650 B9R1.13 O=C(O)CN1CCCC1 SY025097 [0,1,0,1,0,0|1,0,0]=3 651 B9R1.13 O=C(O)C[C@@H]1CCCN1 SY107247 [0,1,0,1,0,0|1,0,0]=3 652 B9R1.13 O=C(O)C[C@H]1CCCN1 SY056877 [0,1,0,1,0,0|1,0,0]=3 653 B9R1.13 O=C(O)C[C@H]1CCCN1 SY245644 [0,1,0,1,0,0|1,0,0]=3 654 B9R1.40 CC1(C)CCC=CC1=O SY262049 [0,1,0,1,0,0|0,0,2]=4 655 B9R1.40 CC1(C)CCCCC1=O SY031867 [0,1,0,1,0,0|0,0,0]=2 656 B9R1.40 CC1(C)CCCOC1=O SY254133 [0,1,0,1,0,0|1,0,0]=3 657 B9R1.40 CC1(C)CNCCC1=O SY031977 [0,1,0,1,0,0|1,0,0]=3 658 B9R1.40 CC1(C)NCCNC1=O SY045481 [0,1,0,1,0,0|2,0,0]=4 659 B9R1.41 CC(=O)C1CCOC1=O SY001848 [0,1,0,1,0,0|1,0,1]=4 660 B9R1.41 CN1CCC[C@@H]1C(=O)O SY004606 [0,1,0,1,0,0|1,0,0]=3 661 B9R1.41 CN1CCC[C@@H]1C(=O)O SY012525 [0,1,0,1,0,0|1,0,0]=3 662 B9R1.41 CN1CCC[C@H]1C(=O)O SY004607 [0,1,0,1,0,0|1,0,0]=3 663 B9R1.41 CN1CCC[C@H]1C(=O)O SY004777 [0,1,0,1,0,0|1,0,0]=3 664 B9R1.41 C[C@@H](O)[C@@H]1CCCN1C SY300195 [0,1,0,1,0,0|2,0,0]=4 665 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O SY024590 [0,1,0,1,0,0|1,0,0]=3 666 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O SY024589 [0,1,0,1,0,0|1,0,0]=3 667 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O SY007714 [0,1,0,1,0,0|2,0,0]=4 668 B9R1.84 O=C(O)CCC1CCC1 SY132058 [0,1,0,1,0,0|0,0,0]=2 669 B9R1.85 O=C(O)CCNC1CC1 SY034664 [0,1,0,1,0,0|1,0,0]=3 670 B9R2.68 C1CC2CCC(C1)N2 SY097135 [0,0,0,2,0,0|1,0,1]=4 671 B9R2.68 C1CC2CNCC1C2 SY137733 [0,0,0,2,0,0|2,0,0]=4 672 B9R2.68 C1CC2CNCC1C2 SY193663 [0,0,0,2,0,0|2,0,0]=4 673 B9R2.174 C1CNCC2(C1)CC2 SY155823 [0,0,0,2,0,0|2,0,0]=4 674 B9R2.39 O=C1CC2CCC1C2 SY049592 [0,0,0,2,0,0|0,0,0]=2 675 B9R2.39 O=C1CC2CNC1C2 SY262130 [0,0,0,2,0,0|1,0,0]=3 676 B9R2.39 O=C1NC2COC1C2 SY296805 [0,0,0,2,0,0|2,0,0]=4 677 B9R2.109 O=C1CCCC2OC12 SY112669 [0,0,0,2,0,0|1,0,0]=3 678 B9R2.2 C1CC(C2CC2)CN1 SY144888 [0,0,0,2,0,0|2,0,0]=4 679 B9R2.3 C1CC2CNCC2C1 SY003119 [0,0,0,2,0,0|1,0,1]=4 680 B9R2.7 O=C1CC2C=CCC12 SY056869 [0,0,0,2,0,0|0,0,2]=4 681 B9R2.7 [C@H]12CCC[C@H]1C(=O)N2 SY012376 [0,0,0,2,0,0|1,0,0]=3 682 B9R2.5 O=C1CCCC12CC2 SY197560 [0,0,0,2,0,0|0,0,0]=2