0 B6R0.1 C=CC(O)CCC SY048915 [0,0,0,0,0,0|1,0,3]=4 1 B6R0.1 C=CCC(=O)OC SY025883 [0,0,0,0,0,0|0,0,2]=2 2 B6R0.1 CC#CC(=O)OC SY012646 [0,0,0,0,0,0|0,0,2]=2 3 B6R0.1 CCC(=O)CC#N SY004535 [0,0,0,0,0,0|2,0,1]=3 4 B6R0.1 CCC(=O)COC SY190908 [0,0,0,0,0,0|2,0,0]=2 5 B6R0.1 CCCC(=O)NN SY060413 [0,0,0,0,0,0|2,0,0]=2 6 B6R0.1 CCCC(C)CN SY271841 [0,0,0,0,0,0|3,0,1]=4 7 B6R0.1 CCCC(O)CO SY032914 [0,0,0,0,0,0|2,0,2]=4 8 B6R0.1 CCC[C@@H](N)CF SY045881 [0,0,0,0,0,0|3,0,1]=4 9 B6R0.1 CCC[C@@H](N)CO SY038521 [0,0,0,0,0,0|3,0,1]=4 10 B6R0.1 CCC[C@H](N)CF SY045882 [0,0,0,0,0,0|3,0,1]=4 11 B6R0.1 CCC[C@H](N)CO SY017944 [0,0,0,0,0,0|3,0,1]=4 12 B6R0.1 CCNC(=O)CCl SY024489 [0,0,0,0,0,0|3,0,0]=3 13 B6R0.1 CCOC(=N)CCl SY026914 [0,0,0,0,0,0|4,0,0]=4 14 B6R0.1 CCOC(=O)CN SY002226 [0,0,0,0,0,0|3,0,0]=3 15 B6R0.1 CCOC(=O)CO SY002762 [0,0,0,0,0,0|3,0,0]=3 16 B6R0.1 CCOC(=S)SC SY261921 [0,0,0,0,0,0|1,2,0]=3 17 B6R0.1 CNC(=O)CC#N SY032593 [0,0,0,0,0,0|2,0,1]=3 18 B6R0.1 CNC(=O)CCO SY083761 [0,0,0,0,0,0|2,0,0]=2 19 B6R0.1 COC(=N)CC#N SY257805 [0,0,0,0,0,0|2,0,1]=3 20 B6R0.1 COC(=O)C#CBr SY039726 [0,0,0,0,0,0|1,0,2]=3 21 B6R0.1 COC(=O)C=CI SY264761 [0,0,0,0,0,0|1,0,2]=3 22 B6R0.1 COC(=O)CCBr SY002337 [0,0,0,0,0,0|1,0,0]=1 23 B6R0.1 COC(=O)CCN SY004831 [0,0,0,0,0,0|1,0,0]=1 24 B6R0.1 COC(=O)CCO SY008913 [0,0,0,0,0,0|1,0,0]=1 25 B6R0.1 COC(=O)OCCl SY047554 [0,0,0,0,0,0|2,0,0]=2 26 B6R0.1 COC(=O)\C=C/I SY257888 [0,0,0,0,0,0|1,0,2]=3 27 B6R0.1 COCC(=O)NN SY109583 [0,0,0,0,0,0|3,0,0]=3 28 B6R0.1 O=C(CCCl)NO SY159080 [0,0,0,0,0,0|3,0,0]=3 29 B5R0.1 C#CCC(=O)O SY040154 [1,0,0,0,0,0|0,0,2]=3 30 B5R0.1 CC#CC(C)=O SY262884 [1,0,0,0,0,0|0,0,2]=3 31 B5R0.1 CC(=O)CCN SY263173 [1,0,0,0,0,0|1,0,0]=2 32 B5R0.1 CC(=O)CCO SY002849 [1,0,0,0,0,0|1,0,0]=2 33 B5R0.1 CC(=O)NCO SY047960 [1,0,0,0,0,0|2,0,0]=3 34 B5R0.1 CC(=O)OCBr SY051438 [1,0,0,0,0,0|2,0,0]=3 35 B5R0.1 CC(=O)\C=N/O SY112549 [1,0,0,0,0,0|2,0,1]=4 36 B5R0.1 CC(I)=CCI SY237855 [1,0,0,0,0,0|2,0,1]=4 37 B5R0.1 CC(N)CCF SY299085 [1,0,0,0,0,0|2,0,1]=4 38 B5R0.1 CC(N)CCO SY030187 [1,0,0,0,0,0|2,0,1]=4 39 B5R0.1 CC(O)CCBr SY216789 [1,0,0,0,0,0|1,0,2]=4 40 B5R0.1 CCCB(O)O SY030878 [1,0,0,0,0,0|1,0,1]=3 41 B5R0.1 CCC[C@@H](C)O SY045083 [1,0,0,0,0,0|0,0,2]=3 42 B5R0.1 CCNC(C)=O SY016499 [1,0,0,0,0,0|1,0,0]=2 43 B5R0.1 CN(C)CCBr SY004492 [1,0,0,0,0,0|3,0,0]=4 44 B5R0.1 CN(C)CCI SY219257 [1,0,0,0,0,0|3,0,0]=4 45 B5R0.1 CN(C)CCI SY247759 [1,0,0,0,0,0|3,0,0]=4 46 B5R0.1 CN(C)CCI SY247769 [1,0,0,0,0,0|3,0,0]=4 47 B5R0.1 CNCC(=O)O SY001630 [1,0,0,0,0,0|1,0,0]=2 48 B5R0.1 CNCC(C)O SY083968 [1,0,0,0,0,0|1,0,2]=4 49 B5R0.1 CNCC(N)=O SY059741 [1,0,0,0,0,0|2,0,0]=3 50 B5R0.1 CNC[C@H](C)O SY131109 [1,0,0,0,0,0|1,0,2]=4 51 B5R0.1 COCC(=N)N SY019943 [1,0,0,0,0,0|3,0,0]=4 52 B5R0.1 COCC(C)Br SY074290 [1,0,0,0,0,0|2,0,1]=4 53 B5R0.1 COC[C@@H](C)N SY034826 [1,0,0,0,0,0|2,0,1]=4 54 B5R0.1 COC[C@@H](C)N SY056838 [1,0,0,0,0,0|2,0,1]=4 55 B5R0.1 CSCC(N)=O SY040648 [1,0,0,0,0,0|2,0,0]=3 56 B5R0.1 CSCS(C)=O SY049552 [1,0,0,0,0,0|2,0,0]=3 57 B5R0.1 C[C@@H](O)CCO SY049450 [1,0,0,0,0,0|1,0,2]=4 58 B5R0.1 C[C@H](N)CCO SY022986 [1,0,0,0,0,0|2,0,1]=4 59 B5R0.1 C\C(I)=C/CI SY237856 [1,0,0,0,0,0|2,0,1]=4 60 B5R0.1 C\C(I)=C\CI SY237854 [1,0,0,0,0,0|2,0,1]=4 61 B5R0.1 C\C(I)=C\CO SY246995 [1,0,0,0,0,0|2,0,1]=4 62 B5R0.1 C\C(I)=C\CO SY252919 [1,0,0,0,0,0|2,0,1]=4 63 B5R0.1 NC(=O)CCBr SY014886 [1,0,0,0,0,0|2,0,0]=3 64 B5R0.1 NCCC(N)=O SY024863 [1,0,0,0,0,0|2,0,0]=3 65 B5R0.1 NCCC(N)=O SY101590 [1,0,0,0,0,0|2,0,0]=3 66 B5R0.1 NCC[N+](=O)[O-] SY279282 [1,0,0,0,0,0|2,0,1]=4 67 B5R0.1 O=C(O)CCF SY008508 [1,0,0,0,0,0|1,0,0]=2 68 B5R0.1 O=C(O)CCO SY003982 [1,0,0,0,0,0|1,0,0]=2 69 B5R0.1 O=C(O)\C=C\Br SY026854 [1,0,0,0,0,0|1,0,2]=4 70 B5R0.1 O=[N+]([O-])CCO SY008757 [1,0,0,0,0,0|2,0,1]=4 71 B5R0.2 C#CCCOC SY261977 [1,0,0,0,0,0|0,0,3]=4 72 B5R0.2 CCCCNN SY048097 [1,0,0,0,0,0|2,0,1]=4 73 B5R0.2 CCCCON SY013356 [1,0,0,0,0,0|1,0,1]=3 74 B5R0.2 CCCCON SY019069 [1,0,0,0,0,0|1,0,1]=3 75 B5R0.2 CNCCSC SY020435 [1,0,0,0,0,0|1,1,1]=4 76 B5R0.2 COCCNN SY048076 [1,0,0,0,0,0|2,0,1]=4 77 B5R0.2 NCCCON SY273643 [1,0,0,0,0,0|2,0,1]=4 78 B5R0.2 NOCCCO SY204344 [1,0,0,0,0,0|2,0,1]=4 79 B5R0.2 NOCCCO SY281570 [1,0,0,0,0,0|2,0,1]=4 80 B5R0.3 C=C(OC)OC SY274566 [1,0,0,0,0,0|2,0,0]=3 81 B5R0.3 C=CC(=O)NC SY057550 [1,0,0,0,0,0|1,0,2]=4 82 B5R0.3 CCC(Br)CC SY050135 [1,0,0,0,0,0|2,0,1]=4 83 B5R0.3 CNC(=N)NC SY270827 [1,0,0,0,0,0|3,0,0]=4 84 B5R0.3 CNC(=O)CBr SY106596 [1,0,0,0,0,0|2,0,0]=3 85 B5R0.3 CNC(=O)CCl SY003250 [1,0,0,0,0,0|2,0,0]=3 86 B5R0.3 CNC(=O)CN SY024913 [1,0,0,0,0,0|2,0,0]=3 87 B5R0.3 CNC(=O)CN SY066423 [1,0,0,0,0,0|2,0,0]=3 88 B5R0.3 CNC(=O)NC SY004507 [1,0,0,0,0,0|2,0,0]=3 89 B5R0.3 COC(=O)CN SY001589 [1,0,0,0,0,0|1,0,0]=2 90 B5R0.3 COC(=O)CO SY003097 [1,0,0,0,0,0|1,0,0]=2 91 B5R0.3 COC(C)CBr SY298794 [1,0,0,0,0,0|2,0,1]=4 92 B5R0.3 CO[C@@H](C)CN SY114788 [1,0,0,0,0,0|2,0,1]=4 93 B5R0.3 NNC(=O)CO SY059283 [1,0,0,0,0,0|3,0,0]=4 94 B5R0.3 O=C(CO)CO SY038299 [1,0,0,0,0,0|3,0,0]=4 95 B7R0.2 C=CC(=O)NC(C)C SY010883 [0,1,0,0,0,0|2,0,1]=4 96 B7R0.2 CC(C)NC(=O)CBr SY030482 [0,1,0,0,0,0|3,0,0]=4 97 B7R0.2 CC(C)NC(=O)CCl SY028776 [0,1,0,0,0,0|3,0,0]=4 98 B7R0.2 CC(C)OC(=O)CO SY022067 [0,1,0,0,0,0|3,0,0]=4 99 B7R0.2 CCC(C)CC(C)N SY018617 [0,1,0,0,0,0|2,0,1]=4 100 B7R0.2 COC(=O)CC(=N)N SY034666 [0,1,0,0,0,0|1,0,1]=3 101 B7R0.2 COC(=O)CC(=O)O SY046546 [0,1,0,0,0,0|1,0,1]=3 102 B7R0.2 COC(=O)CC(=O)[O-] SY031346 [0,1,0,0,0,0|1,0,1]=3 103 B7R0.2 COC(=O)CC(N)=O SY031703 [0,1,0,0,0,0|1,0,1]=3 104 B7R0.2 COC(=O)CC(N)=S SY007662 [0,1,0,0,0,0|1,0,1]=3 105 B7R0.2 COC(=O)C[C@@H](C)N SY024605 [0,1,0,0,0,0|0,0,0]=1 106 B7R0.2 COC(=O)C[C@@H](C)N SY024610 [0,1,0,0,0,0|0,0,0]=1 107 B7R0.2 COC(=O)C[C@@H](C)O SY018984 [0,1,0,0,0,0|0,0,0]=1 108 B7R0.2 COC(=O)C[C@H](C)N SY212047 [0,1,0,0,0,0|0,0,0]=1 109 B7R0.2 COC(=O)C[C@H](C)O SY018985 [0,1,0,0,0,0|0,0,0]=1 110 B7R0.2 COC(=O)C[N+](=O)[O-] SY001008 [0,1,0,0,0,0|2,0,0]=3 111 B7R0.3 C#CCCC(=O)OC SY057491 [0,1,0,0,0,0|0,0,1]=2 112 B7R0.3 C=CC(=O)NCCN SY032050 [0,1,0,0,0,0|2,0,1]=4 113 B7R0.3 C=CC(=O)OCCCl SY226312 [0,1,0,0,0,0|2,0,1]=4 114 B7R0.3 CCC(=O)OCCO SY301488 [0,1,0,0,0,0|2,0,0]=3 115 B7R0.3 CCCCC(=O)NN SY078868 [0,1,0,0,0,0|2,0,0]=3 116 B7R0.3 CCCCN(C)CC SY311327 [0,1,0,0,0,0|3,0,0]=4 117 B7R0.3 CNC(=O)CCCO SY126228 [0,1,0,0,0,0|1,0,0]=2 118 B7R0.3 CNCCC(=O)NC SY029107 [0,1,0,0,0,0|1,0,0]=2 119 B7R0.3 CNCCC(=O)OC SY019690 [0,1,0,0,0,0|0,0,0]=1 120 B7R0.3 COC(=O)C=CCBr SY007768 [0,1,0,0,0,0|0,0,2]=3 121 B7R0.3 COC(=O)CCC#N SY012328 [0,1,0,0,0,0|0,0,1]=2 122 B7R0.3 COC(=O)CCCBr SY011922 [0,1,0,0,0,0|0,0,0]=1 123 B7R0.3 COC(=O)CCCI SY110660 [0,1,0,0,0,0|0,0,0]=1 124 B7R0.3 COC(=O)CCCN SY058513 [0,1,0,0,0,0|0,0,0]=1 125 B7R0.3 COC(=O)CCCO SY268958 [0,1,0,0,0,0|0,0,0]=1 126 B7R0.3 COC(=O)\C=C\CBr SY112634 [0,1,0,0,0,0|0,0,2]=3 127 B7R0.3 COC=CC(=O)OC SY012690 [0,1,0,0,0,0|0,0,2]=3 128 B7R0.5 CC(C)C(=O)CC#N SY004538 [0,1,0,0,0,0|2,0,1]=4 129 B7R0.5 CC(C)C(=O)CCN SY263226 [0,1,0,0,0,0|2,0,0]=3 130 B7R0.5 CC(C)C(=O)OCCl SY033791 [0,1,0,0,0,0|3,0,0]=4 131 B7R0.5 CCCC(=O)C(N)=O SY251044 [0,1,0,0,0,0|2,0,0]=3 132 B7R0.5 CCNC(=O)[C@H](C)N SY297093 [0,1,0,0,0,0|2,0,0]=3 133 B7R0.5 CCNC(=O)[C@H](C)N SY297094 [0,1,0,0,0,0|2,0,0]=3 134 B7R0.5 CCOC(=O)C(=O)O SY257067 [0,1,0,0,0,0|3,0,0]=4 135 B7R0.5 CCOC(=O)C(=O)[O-] SY057863 [0,1,0,0,0,0|3,0,0]=4 136 B7R0.5 CCOC(=O)C(C)N SY004290 [0,1,0,0,0,0|2,0,0]=3 137 B7R0.5 CCOC(=O)C(N)=O SY047037 [0,1,0,0,0,0|3,0,0]=4 138 B7R0.5 CCOC(=O)C(N)=S SY004302 [0,1,0,0,0,0|3,0,0]=4 139 B7R0.5 CCOC(=O)[C@@H](C)N SY021480 [0,1,0,0,0,0|2,0,0]=3 140 B7R0.5 CCOC(=O)[C@@H](C)O SY030456 [0,1,0,0,0,0|2,0,0]=3 141 B7R0.5 CNCC(=O)N(C)C SY139333 [0,1,0,0,0,0|2,0,0]=3 142 B7R0.5 [C-]#[N+]CC(=O)N(C)C SY263036 [0,1,0,0,0,0|2,0,1]=4 143 B7R0.7 CC#CC(=O)OCC SY037256 [0,1,0,0,0,0|0,0,2]=3 144 B7R0.7 CCCC(=O)OCCl SY018804 [0,1,0,0,0,0|0,0,0]=1 145 B7R0.7 CCCC(Br)CCC SY016752 [0,1,0,0,0,0|2,0,1]=4 146 B7R0.7 CCCC(N)CCC SY024496 [0,1,0,0,0,0|2,0,1]=4 147 B7R0.7 CCC[C@H](N)CCO SY117417 [0,1,0,0,0,0|2,0,1]=4 148 B7R0.7 CCNC(=O)CCCl SY168089 [0,1,0,0,0,0|2,0,0]=3 149 B7R0.7 CCNC(=O)NCC SY001914 [0,1,0,0,0,0|2,0,0]=3 150 B7R0.7 CCOC(=O)C#CBr SY108326 [0,1,0,0,0,0|1,0,2]=4 151 B7R0.7 CCOC(=O)CCBr SY001430 [0,1,0,0,0,0|1,0,0]=2 152 B7R0.7 CCOC(=O)CCI SY031505 [0,1,0,0,0,0|1,0,0]=2 153 B7R0.7 CCOC(=O)CCN SY001761 [0,1,0,0,0,0|1,0,0]=2 154 B7R0.7 CCOC(=O)CCO SY008914 [0,1,0,0,0,0|1,0,0]=2 155 B7R0.7 CCOC(=O)CNC SY007981 [0,1,0,0,0,0|1,0,0]=2 156 B7R0.7 CCOC(=O)CNN SY021491 [0,1,0,0,0,0|2,0,0]=3 157 B7R0.7 CCOC(=O)OCCl SY114398 [0,1,0,0,0,0|1,0,0]=2 158 B7R0.7 CCOC(=O)\C=C\O SY272545 [0,1,0,0,0,0|1,0,2]=4 159 B7R0.7 COCC(=O)COC SY110586 [0,1,0,0,0,0|1,0,0]=2 160 B7R0.7 COCC(O)COC SY021402 [0,1,0,0,0,0|1,0,2]=4 161 B7R0.7 O=C(CCCl)CCCl SY031905 [0,1,0,0,0,0|2,0,0]=3 162 B7R0.7 O=C(CCO)CCCl SY300455 [0,1,0,0,0,0|2,0,0]=3 163 B7R0.7 O=C(CCO)CCO SY239973 [0,1,0,0,0,0|2,0,0]=3 164 B7R0.10 C=C(CBr)C(=O)OC SY009735 [0,1,0,0,0,0|1,0,1]=3 165 B7R0.10 CCC(=O)N(C)OC SY104588 [0,1,0,0,0,0|2,0,1]=4 166 B7R0.10 CC[C@@H](N)C(=O)OC SY026012 [0,1,0,0,0,0|0,0,0]=1 167 B7R0.10 CC[C@H](N)C(=O)OC SY096587 [0,1,0,0,0,0|0,0,0]=1 168 B7R0.10 COC(=O)C(Br)CO SY246714 [0,1,0,0,0,0|1,0,0]=2 169 B7R0.10 COC(=O)C(C)C=O SY238219 [0,1,0,0,0,0|1,0,1]=3 170 B7R0.10 COC(=O)C(N)CO SY005975 [0,1,0,0,0,0|1,0,0]=2 171 B7R0.10 COC(=O)C(O)CN SY029941 [0,1,0,0,0,0|1,0,0]=2 172 B7R0.10 COC(=O)C(O)CO SY265586 [0,1,0,0,0,0|1,0,0]=2 173 B7R0.10 COC(=O)[C@@H](Br)CO SY246715 [0,1,0,0,0,0|1,0,0]=2 174 B7R0.10 COC(=O)[C@@H](C)CO SY016750 [0,1,0,0,0,0|1,0,0]=2 175 B7R0.10 COC(=O)[C@@H](F)CN SY277955 [0,1,0,0,0,0|1,0,0]=2 176 B7R0.10 COC(=O)[C@@H](N)CO SY005340 [0,1,0,0,0,0|1,0,0]=2 177 B7R0.10 COC(=O)[C@@H](N)CS SY021999 [0,1,0,0,0,0|1,0,0]=2 178 B7R0.10 COC(=O)[C@@H](O)CO SY017442 [0,1,0,0,0,0|1,0,0]=2 179 B7R0.10 COC(=O)[C@H](C)CBr SY059958 [0,1,0,0,0,0|1,0,0]=2 180 B7R0.10 COC(=O)[C@H](C)CO SY031653 [0,1,0,0,0,0|1,0,0]=2 181 B7R0.10 COC(=O)[C@H](N)CO SY008009 [0,1,0,0,0,0|1,0,0]=2 182 B7R0.10 COC(=O)[C@H](N)CS SY076955 [0,1,0,0,0,0|1,0,0]=2 183 B7R0.10 COC(=O)[C@H](O)CO SY116554 [0,1,0,0,0,0|1,0,0]=2 184 B7R0.10 NNC(=O)C(N)CO SY038029 [0,1,0,0,0,0|3,0,0]=4 185 B7R0.10 [C-]#[N+]C(C)C(=O)OC SY204645 [0,1,0,0,0,0|1,0,1]=3 186 B7R0.11 CCOS(=O)(=O)CC SY253126 [0,1,0,0,0,0|3,0,0]=4 187 B7R0.12 COCC(OC)OC SY050730 [0,1,0,0,0,0|1,0,2]=4 188 B7R1.1 CC[C@@H]1CCCN1 SY103107 [0,0,0,1,0,0|2,0,1]=4 189 B7R1.1 COC1CCNC1 SY043121 [0,0,0,1,0,0|2,0,1]=4 190 B7R1.1 COC1CCNC1 SY097408 [0,0,0,1,0,0|2,0,1]=4 191 B7R1.1 CO[C@@H]1CCNC1 SY042148 [0,0,0,1,0,0|2,0,1]=4 192 B7R1.1 CO[C@@H]1CCNC1 SY056981 [0,0,0,1,0,0|2,0,1]=4 193 B7R1.1 CO[C@H]1CCNC1 SY042488 [0,0,0,1,0,0|2,0,1]=4 194 B7R1.1 CSC1=NCCN1 SY063540 [0,0,0,1,0,0|2,1,0]=4 195 B7R1.1 CSC1=NCCS1 SY053147 [0,0,0,1,0,0|1,2,0]=4 196 B7R1.2 CC1=NNC(=O)C1 SY010796 [0,0,0,1,0,0|2,0,1]=4 197 B7R1.2 CC1CCC(=O)C1 SY003033 [0,0,0,1,0,0|1,0,0]=2 198 B7R1.2 CC1CCC(=O)O1 SY011304 [0,0,0,1,0,0|2,0,0]=3 199 B7R1.2 CC1CCC(N)C1 SY156765 [0,0,0,1,0,0|2,0,1]=4 200 B7R1.2 CC1CNC(=O)C1 SY065050 [0,0,0,1,0,0|1,0,0]=2 201 B7R1.2 CC1COC(=O)N1 SY037847 [0,0,0,1,0,0|1,0,0]=2 202 B7R1.2 C[C@@H]1COC(=O)N1 SY037848 [0,0,0,1,0,0|1,0,0]=2 203 B7R1.2 C[C@@H]1COC(=O)O1 SY008770 [0,0,0,1,0,0|1,0,0]=2 204 B7R1.2 C[C@H]1COC(=O)N1 SY037849 [0,0,0,1,0,0|1,0,0]=2 205 B7R1.2 C[C@H]1COC(=O)O1 SY066861 [0,0,0,1,0,0|1,0,0]=2 206 B7R1.2 N[C@@H]1COC(=O)C1 SY033765 [0,0,0,1,0,0|1,0,0]=2 207 B7R1.2 N[C@H]1COC(=O)C1 SY033771 [0,0,0,1,0,0|1,0,0]=2 208 B7R1.2 O=C1CC(O)CN1 SY031844 [0,0,0,1,0,0|2,0,0]=3 209 B7R1.2 O=C1CCC(=O)C1 SY003377 [0,0,0,1,0,0|2,0,1]=4 210 B7R1.2 O=C1CCC(O)C1 SY040217 [0,0,0,1,0,0|2,0,0]=3 211 B7R1.2 O=C1COC(=O)C1 SY048546 [0,0,0,1,0,0|1,0,1]=3 212 B7R1.2 O=C1C[C@@H](O)CN1 SY030867 [0,0,0,1,0,0|2,0,0]=3 213 B7R1.2 O=C1C[C@@H](O)CO1 SY109477 [0,0,0,1,0,0|1,0,0]=2 214 B7R1.2 O=C1C[C@H](O)CN1 SY025368 [0,0,0,1,0,0|2,0,0]=3 215 B7R1.2 O=C1C[C@H](O)CO1 SY002401 [0,0,0,1,0,0|1,0,0]=2 216 B7R1.2 O=C1OCC(F)O1 SY017141 [0,0,0,1,0,0|2,0,0]=3 217 B7R1.3 BrC1=CCCCC1 SY253165 [0,0,0,1,0,0|2,0,0]=3 218 B7R1.3 C=C1CCNCC1 SY022740 [0,0,0,1,0,0|3,0,0]=4 219 B7R1.3 CC1CNCCO1 SY008226 [0,0,0,1,0,0|2,0,1]=4 220 B7R1.3 C[C@@H]1CNCCO1 SY021208 [0,0,0,1,0,0|2,0,1]=4 221 B7R1.3 C[C@@H]1CNCCO1 SY032742 [0,0,0,1,0,0|2,0,1]=4 222 B7R1.3 C[C@H]1CNCCO1 SY021210 [0,0,0,1,0,0|2,0,1]=4 223 B7R1.3 C[C@H]1CNCCO1 SY043150 [0,0,0,1,0,0|2,0,1]=4 224 B7R1.3 NC1=NCCCN1 SY042627 [0,0,0,1,0,0|3,0,0]=4 225 B7R1.3 NC1=NCCCN1 SY270826 [0,0,0,1,0,0|3,0,0]=4 226 B7R1.3 O=C1C=CCCN1 SY259179 [0,0,0,1,0,0|1,0,2]=4 227 B7R1.3 O=C1CC=CCN1 SY270920 [0,0,0,1,0,0|1,0,2]=4 228 B7R1.3 O=C1CCCCN1 SY011119 [0,0,0,1,0,0|1,0,0]=2 229 B7R1.3 O=C1CCCCO1 SY018264 [0,0,0,1,0,0|0,0,0]=1 230 B7R1.3 O=C1CCCCS1 SY222230 [0,0,0,1,0,0|0,1,0]=2 231 B7R1.3 O=C1CCCNC1 SY025656 [0,0,0,1,0,0|2,0,0]=3 232 B7R1.3 O=C1CCCOC1 SY003102 [0,0,0,1,0,0|2,0,0]=3 233 B7R1.3 O=C1CCNCC1 SY002027 [0,0,0,1,0,0|2,0,0]=3 234 B7R1.3 O=C1CCNCC1 SY107185 [0,0,0,1,0,0|2,0,0]=3 235 B7R1.3 O=C1CCSCC1 SY007101 [0,0,0,1,0,0|2,0,0]=3 236 B7R1.3 O=C1CNCCN1 SY002559 [0,0,0,1,0,0|2,0,0]=3 237 B7R1.3 O=C1CNCCO1 SY047308 [0,0,0,1,0,0|1,0,0]=2 238 B7R1.3 O=C1COCCN1 SY003974 [0,0,0,1,0,0|2,0,0]=3 239 B7R1.3 O=C1COCCO1 SY055447 [0,0,0,1,0,0|1,0,0]=2 240 B7R1.3 O=C1CSCCN1 SY082963 [0,0,0,1,0,0|2,0,0]=3 241 B7R1.3 O=C1NCCCO1 SY005699 [0,0,0,1,0,0|1,0,0]=2 242 B7R1.3 OC1CCCCO1 SY009592 [0,0,0,1,0,0|0,0,2]=3 243 B7R1.4 C=C1CCOC1=O SY013907 [0,0,0,1,0,0|2,0,1]=4 244 B7R1.4 CC1=CCNC1=O SY295114 [0,0,0,1,0,0|2,0,1]=4 245 B7R1.4 CC1CCCC1=O SY045483 [0,0,0,1,0,0|1,0,0]=2 246 B7R1.4 CC1CCOC1=O SY051660 [0,0,0,1,0,0|2,0,0]=3 247 B7R1.4 CC1OCCC1=O SY001818 [0,0,0,1,0,0|2,0,0]=3 248 B7R1.4 CC1SCCC1=O SY003998 [0,0,0,1,0,0|2,0,0]=3 249 B7R1.4 C[C@H]1CCC[C@H]1N SY254157 [0,0,0,1,0,0|2,0,1]=4 250 B7R1.4 NC1CCOC1=O SY111957 [0,0,0,1,0,0|3,0,0]=4 251 B7R1.4 NC1CCSC1=O SY038927 [0,0,0,1,0,0|3,0,0]=4 252 B7R1.4 NN1CCCC1=O SY105332 [0,0,0,1,0,0|2,0,0]=3 253 B7R1.4 NN1CCOC1=O SY038618 [0,0,0,1,0,0|3,0,0]=4 254 B7R1.4 N[C@@H]1CCNC1=O SY034730 [0,0,0,1,0,0|3,0,0]=4 255 B7R1.4 N[C@@H]1CCOC1=O SY017502 [0,0,0,1,0,0|3,0,0]=4 256 B7R1.4 N[C@H]1CCNC1=O SY022467 [0,0,0,1,0,0|3,0,0]=4 257 B7R1.4 N[C@H]1CCOC1=O SY027501 [0,0,0,1,0,0|3,0,0]=4 258 B7R1.4 N[C@H]1CCOC1=O SY030497 [0,0,0,1,0,0|3,0,0]=4 259 B7R1.4 O=C1CCCC1=O SY057516 [0,0,0,1,0,0|2,0,0]=3 260 B7R1.4 O=C1CCCC1F SY200677 [0,0,0,1,0,0|2,0,0]=3 261 B7R1.4 O=C1NCCC1Br SY067750 [0,0,0,1,0,0|3,0,0]=4 262 B7R1.4 O=C1NCCC1O SY017439 [0,0,0,1,0,0|3,0,0]=4 263 B7R1.4 O=C1NCC[C@@H]1O SY020466 [0,0,0,1,0,0|3,0,0]=4 264 B7R1.4 O=C1OCCC1Br SY001762 [0,0,0,1,0,0|3,0,0]=4 265 B7R1.4 O=C1OCCC1O SY052569 [0,0,0,1,0,0|3,0,0]=4 266 B7R1.4 O=C1OCC[C@@H]1O SY027538 [0,0,0,1,0,0|3,0,0]=4 267 B7R1.6 OCCC1CCO1 SY099736 [0,0,0,1,0,0|2,0,1]=4 268 B7R1.10 CO[C@H]1C[C@H](N)C1 SY100296 [0,0,0,1,0,0|2,0,1]=4 269 B7R1.22 COC(=O)C1CO1 SY103832 [0,0,0,1,0,0|1,0,0]=2 270 B7R1.22 COC(=O)[C@@H]1CO1 SY029486 [0,0,0,1,0,0|1,0,0]=2 271 B7R1.22 COC(=O)[C@H]1CO1 SY029485 [0,0,0,1,0,0|1,0,0]=2 272 B7R1.22 NNC(=O)C1CC1 SY046578 [0,0,0,1,0,0|2,0,0]=3 273 B7R1.22 N\C(=N/O)C1CC1 SY006492 [0,0,0,1,0,0|3,0,0]=4 274 B7R1.25 COC1(C)CNC1 SY042211 [0,0,0,1,0,0|2,0,1]=4 275 B4R0.1 C=C(C)CN SY018445 [2,0,0,0,0,0|2,0,0]=4 276 B4R0.1 CC(=O)CN SY018511 [2,0,0,0,0,0|1,0,0]=3 277 B4R0.1 CCB(O)O SY004385 [2,0,0,0,0,0|1,0,1]=4 278 B4R0.1 CCC(=N)N SY018521 [2,0,0,0,0,0|2,0,0]=4 279 B4R0.1 CCC(N)=O SY048276 [2,0,0,0,0,0|1,0,0]=3 280 B4R0.1 CCS(=O)[O-] SY005659 [2,0,0,0,0,0|1,0,1]=4 281 B4R0.1 CC[C@H](C)N SY059203 [2,0,0,0,0,0|1,0,1]=4 282 B4R0.1 CNC(N)=O SY018863 [2,0,0,0,0,0|2,0,0]=4 283 B4R0.1 COC(=N)N SY021749 [2,0,0,0,0,0|2,0,0]=4 284 B4R0.1 COC(=N)N SY023512 [2,0,0,0,0,0|2,0,0]=4 285 B4R0.1 NCC(N)=O SY003860 [2,0,0,0,0,0|2,0,0]=4 286 B4R0.1 NCC(N)=O SY104505 [2,0,0,0,0,0|2,0,0]=4 287 B4R0.1 O=C([O-])CI SY066613 [2,0,0,0,0,0|1,0,1]=4 288 B4R0.2 C=CCCN SY036713 [2,0,0,0,0,0|1,0,1]=4 289 B4R0.2 CC=CC[Pd+2] SY070788 [2,0,0,0,0,0|1,0,1]=4 290 B4R0.2 CCCNN SY048075 [2,0,0,0,0,0|2,0,0]=4 291 B4R0.2 CCCON SY096737 [2,0,0,0,0,0|1,0,0]=3 292 B4R0.2 CCOC=N SY041120 [2,0,0,0,0,0|2,0,0]=4 293 B4R0.2 CNCCBr SY044997 [2,0,0,0,0,0|2,0,0]=4 294 B4R0.2 CNCCF SY122542 [2,0,0,0,0,0|2,0,0]=4 295 B4R0.2 CNCCN SY023647 [2,0,0,0,0,0|2,0,0]=4 296 B4R0.2 COCC#N SY003878 [2,0,0,0,0,0|1,0,1]=4 297 B4R0.2 COCCI SY248715 [2,0,0,0,0,0|1,0,0]=3 298 B4R0.2 NOCCO SY007135 [2,0,0,0,0,0|2,0,0]=4 299 B4R0.2 OCCCBr SY001898 [2,0,0,0,0,0|1,0,1]=4 300 B4R0.2 OCCCF SY033053 [2,0,0,0,0,0|1,0,1]=4 301 B4R0.2 OCCCI SY016401 [2,0,0,0,0,0|1,0,1]=4 302 B6R0.2 CC(=O)C[N+](=O)[O-] SY285532 [1,1,0,0,0,0|2,0,0]=4 303 B6R0.2 CC(=O)NC(C)C SY107538 [1,1,0,0,0,0|1,0,0]=3 304 B6R0.2 CC(=O)OC(C)Br SY067153 [1,1,0,0,0,0|1,0,0]=3 305 B6R0.2 CC(=O)\C=C(\C)[O-] SY008855 [1,1,0,0,0,0|0,0,2]=4 306 B6R0.2 CC(=O)\C=C(\C)[O-] SY010105 [1,1,0,0,0,0|0,0,2]=4 307 B6R0.2 CC(=O)\C=C(\C)[O-] SY010217 [1,1,0,0,0,0|0,0,2]=4 308 B6R0.2 CC(=O)\C=C(\C)[O-] SY010282 [1,1,0,0,0,0|0,0,2]=4 309 B6R0.2 CC(=O)\C=C(\C)[O-] SY011804 [1,1,0,0,0,0|0,0,2]=4 310 B6R0.2 CC(=O)\C=C(\C)[O-] SY072898 [1,1,0,0,0,0|0,0,2]=4 311 B6R0.2 CC(=O)\C=C(\C)[O-] SY107884 [1,1,0,0,0,0|0,0,2]=4 312 B6R0.2 CC(C)CB(O)O SY002441 [1,1,0,0,0,0|1,0,1]=4 313 B6R0.2 CC(Cl)CC(=O)Cl SY222037 [1,1,0,0,0,0|1,0,0]=3 314 B6R0.2 CC(N)CC(=O)O SY022577 [1,1,0,0,0,0|0,0,0]=2 315 B6R0.2 CN(C)CC(=O)O SY001194 [1,1,0,0,0,0|1,0,0]=3 316 B6R0.2 CN(C)CC(=O)O SY005006 [1,1,0,0,0,0|1,0,0]=3 317 B6R0.2 C[C@@H](N)CC(=O)O SY019803 [1,1,0,0,0,0|0,0,0]=2 318 B6R0.2 C[C@@H](N)CC(=O)O SY025783 [1,1,0,0,0,0|0,0,0]=2 319 B6R0.2 C[C@@H](O)CC(=O)[O-] SY107283 [1,1,0,0,0,0|0,0,1]=3 320 B6R0.2 C[C@H](N)CC(=O)O SY022578 [1,1,0,0,0,0|0,0,0]=2 321 B6R0.2 C[C@H](N)CC(=O)O SY025782 [1,1,0,0,0,0|0,0,0]=2 322 B6R0.2 C[C@H](O)C[C@H](C)O SY066746 [1,1,0,0,0,0|0,0,2]=4 323 B6R0.2 O=C(O)CC(=O)O SY001875 [1,1,0,0,0,0|1,0,1]=4 324 B6R0.3 CCC(=O)C(=O)O SY011034 [1,1,0,0,0,0|0,0,1]=3 325 B6R0.3 CCC(Br)C(N)=O SY031102 [1,1,0,0,0,0|1,0,0]=3 326 B6R0.3 CCC(C)B(O)O SY030879 [1,1,0,0,0,0|1,0,1]=4 327 B6R0.3 CCC(N)C(=O)O SY005223 [1,1,0,0,0,0|0,0,0]=2 328 B6R0.3 CC[C@@H](Br)C(=O)O SY233332 [1,1,0,0,0,0|0,0,0]=2 329 B6R0.3 CC[C@@H](C)C(=O)O SY115833 [1,1,0,0,0,0|0,0,0]=2 330 B6R0.3 CC[C@@H](N)C(=O)O SY001956 [1,1,0,0,0,0|0,0,0]=2 331 B6R0.3 CC[C@@H](N)C(N)=O SY108293 [1,1,0,0,0,0|1,0,0]=3 332 B6R0.3 CC[C@H](Br)C(=O)O SY233336 [1,1,0,0,0,0|0,0,0]=2 333 B6R0.3 CC[C@H](N)C(=O)O SY002291 [1,1,0,0,0,0|0,0,0]=2 334 B6R0.3 CC[C@H](N)C(N)=O SY020529 [1,1,0,0,0,0|1,0,0]=3 335 B6R0.3 CC[C@H](O)C(=O)O SY066872 [1,1,0,0,0,0|0,0,0]=2 336 B6R0.3 CNC(C)C(=O)O SY006014 [1,1,0,0,0,0|1,0,0]=3 337 B6R0.3 CN[C@@H](C)C(=O)O SY024215 [1,1,0,0,0,0|1,0,0]=3 338 B6R0.3 CN[C@H](C)C(=O)O SY024216 [1,1,0,0,0,0|1,0,0]=3 339 B6R0.3 COC(C)C(=O)O SY034306 [1,1,0,0,0,0|1,0,0]=3 340 B6R0.3 CON(C)C(C)=O SY004033 [1,1,0,0,0,0|2,0,0]=4 341 B6R0.3 CO[C@@H](C)C(=O)O SY028415 [1,1,0,0,0,0|1,0,0]=3 342 B6R0.3 C[C@@H](CN)C(=O)O SY127503 [1,1,0,0,0,0|1,0,0]=3 343 B6R0.3 C[C@@H](CN)C(=O)O SY245999 [1,1,0,0,0,0|1,0,0]=3 344 B6R0.3 C[C@@H](ON)C(=O)O SY286465 [1,1,0,0,0,0|2,0,0]=4 345 B6R0.3 C[C@H](CN)C(=O)O SY020274 [1,1,0,0,0,0|1,0,0]=3 346 B6R0.3 C[C@H](CN)C(=O)O SY105716 [1,1,0,0,0,0|1,0,0]=3 347 B6R0.3 C[C@H](ON)C(=O)O SY286489 [1,1,0,0,0,0|2,0,0]=4 348 B6R0.3 C\C=C(\C)C(=O)O SY053021 [1,1,0,0,0,0|0,0,2]=4 349 B6R0.3 NC(=O)[C@@H](N)CO SY034139 [1,1,0,0,0,0|2,0,0]=4 350 B6R0.3 NC(CO)C(=O)O SY003812 [1,1,0,0,0,0|1,0,0]=3 351 B6R0.3 NC(CS)C(=O)O SY009625 [1,1,0,0,0,0|1,0,0]=3 352 B6R0.3 NCC(Br)C(=O)O SY297906 [1,1,0,0,0,0|1,0,0]=3 353 B6R0.3 NCC(N)C(=O)O SY017516 [1,1,0,0,0,0|1,0,0]=3 354 B6R0.3 NCC(O)C(=O)O SY007745 [1,1,0,0,0,0|1,0,0]=3 355 B6R0.3 NC[C@@H](N)C(=O)O SY017514 [1,1,0,0,0,0|1,0,0]=3 356 B6R0.3 NC[C@H](N)C(=O)O SY017515 [1,1,0,0,0,0|1,0,0]=3 357 B6R0.3 NC[C@H](O)C(=O)O SY013665 [1,1,0,0,0,0|1,0,0]=3 358 B6R0.3 N[C@@H](CCl)C(=O)O SY034145 [1,1,0,0,0,0|1,0,0]=3 359 B6R0.3 N[C@@H](CO)C(=O)O SY002847 [1,1,0,0,0,0|1,0,0]=3 360 B6R0.3 N[C@@H](CS)C(=O)O SY061564 [1,1,0,0,0,0|1,0,0]=3 361 B6R0.3 N[C@H](CCl)C(=O)O SY034148 [1,1,0,0,0,0|1,0,0]=3 362 B6R0.3 N[C@H](CO)C(=O)O SY005114 [1,1,0,0,0,0|1,0,0]=3 363 B6R0.3 N[C@H](CS)C(=O)O SY033289 [1,1,0,0,0,0|1,0,0]=3 364 B6R0.3 N[C@H](CS)C(=O)O SY033653 [1,1,0,0,0,0|1,0,0]=3 365 B6R0.3 O=C(O)C(Br)CO SY261671 [1,1,0,0,0,0|1,0,0]=3 366 B6R0.3 O=C(O)[C@@H](Br)CO SY261670 [1,1,0,0,0,0|1,0,0]=3 367 B6R0.4 CC(=O)CCCO SY002852 [1,1,0,0,0,0|0,0,0]=2 368 B6R0.4 CC(=O)NCCN SY313725 [1,1,0,0,0,0|1,0,0]=3 369 B6R0.4 CC(C)CCCO SY016761 [1,1,0,0,0,0|1,0,1]=4 370 B6R0.4 CC(Cl)CCCO SY207412 [1,1,0,0,0,0|1,0,1]=4 371 B6R0.4 CC(O)CCCO SY239899 [1,1,0,0,0,0|0,0,2]=4 372 B6R0.4 CCCCB(O)O SY012742 [1,1,0,0,0,0|1,0,1]=4 373 B6R0.4 CCCCC(=N)N SY020380 [1,1,0,0,0,0|2,0,0]=4 374 B6R0.4 CCCCC(=N)N SY020382 [1,1,0,0,0,0|2,0,0]=4 375 B6R0.4 CCCOC(N)=O SY114484 [1,1,0,0,0,0|1,0,0]=3 376 B6R0.4 CN(C)CCCBr SY016763 [1,1,0,0,0,0|2,0,0]=4 377 B6R0.4 CN(C)CCCCl SY006370 [1,1,0,0,0,0|2,0,0]=4 378 B6R0.4 CN(C)CCCCl SY021395 [1,1,0,0,0,0|2,0,0]=4 379 B6R0.4 CN(C)CCCI SY247760 [1,1,0,0,0,0|2,0,0]=4 380 B6R0.4 CN(C)CCCI SY247768 [1,1,0,0,0,0|2,0,0]=4 381 B6R0.4 CNCCC(=O)O SY005345 [1,1,0,0,0,0|0,0,0]=2 382 B6R0.4 CNCCC(=O)O SY112486 [1,1,0,0,0,0|0,0,0]=2 383 B6R0.4 COCCC(=N)N SY185487 [1,1,0,0,0,0|2,0,0]=4 384 B6R0.4 COCCC(=O)O SY028921 [1,1,0,0,0,0|0,0,0]=2 385 B6R0.4 CO\C=C\C(C)=O SY029615 [1,1,0,0,0,0|0,0,2]=4 386 B6R0.4 N#CCCC(=O)O SY008516 [1,1,0,0,0,0|0,0,1]=3 387 B6R0.4 NC(=O)NCCO SY038945 [1,1,0,0,0,0|2,0,0]=4 388 B6R0.4 NCCCC(N)=O SY174709 [1,1,0,0,0,0|1,0,0]=3 389 B6R0.4 O=C(O)C#CCO SY046324 [1,1,0,0,0,0|0,0,2]=4 390 B6R0.4 O=C(O)CCCBr SY001501 [1,1,0,0,0,0|0,0,0]=2 391 B6R0.4 O=C(O)\C=C\CBr SY028405 [1,1,0,0,0,0|0,0,2]=4 392 B6R0.4 O=C(O)\C=C\CO SY032954 [1,1,0,0,0,0|0,0,2]=4 393 B6R0.4 O=CNCC(=O)O SY052094 [1,1,0,0,0,0|1,0,1]=4 394 B6R0.4 O=[N+]([O-])CCCBr SY266570 [1,1,0,0,0,0|1,0,1]=4 395 B6R0.4 O=[N+]([O-])CCCCl SY266515 [1,1,0,0,0,0|1,0,1]=4 396 B6R0.4 O=[N+]([O-])CCCO SY211657 [1,1,0,0,0,0|1,0,1]=4 397 B6R0.5 CS(=O)(=O)CCBr SY020452 [1,1,0,0,0,0|2,0,0]=4 398 B6R0.5 CS(=O)(=O)CCN SY006994 [1,1,0,0,0,0|2,0,0]=4 399 B6R0.5 CS(=O)(=O)CCO SY049666 [1,1,0,0,0,0|2,0,0]=4 400 B6R0.5 NCCP(=O)(O)O SY233151 [1,1,0,0,0,0|2,0,0]=4 401 B6R0.5 O=S(=O)(O)CCBr SY019880 [1,1,0,0,0,0|2,0,0]=4 402 B6R0.6 CCCCCON SY281671 [1,1,0,0,0,0|1,0,1]=4 403 B6R0.6 CCCCCON SY281672 [1,1,0,0,0,0|1,0,1]=4 404 B6R0.6 CCCCOCCl SY264650 [1,1,0,0,0,0|0,0,1]=3 405 B6R0.6 CCNCCCO SY023800 [1,1,0,0,0,0|2,0,0]=4 406 B6R0.6 CNCCCCO SY117259 [1,1,0,0,0,0|1,0,1]=4 407 B6R0.6 COCCCCCl SY015495 [1,1,0,0,0,0|0,0,1]=3 408 B6R0.6 COCCCNN SY048087 [1,1,0,0,0,0|1,0,1]=4 409 B6R0.6 COCCCON SY201326 [1,1,0,0,0,0|1,0,1]=4 410 B6R0.6 COCCCON SY281583 [1,1,0,0,0,0|1,0,1]=4 411 B6R0.6 COCOCCN SY250694 [1,1,0,0,0,0|1,0,1]=4 412 B6R0.6 C\C=C\CCCO SY066633 [1,1,0,0,0,0|1,0,0]=3 413 B6R0.8 COP(=O)([O-])OC SY285858 [1,1,0,0,0,0|2,0,0]=4 414 B6R0.9 CCN(CC)N=O SY053647 [1,1,0,0,0,0|2,0,0]=4 415 B6R0.9 C\C=C(\C=O)CC SY265075 [1,1,0,0,0,0|1,0,0]=3 416 B8R0.2 C=C(C(=O)OC)C(C)C SY284198 [0,2,0,0,0,0|0,0,1]=3 417 B8R0.2 CNC(=O)[C@H](N)C(C)C SY286681 [0,2,0,0,0,0|1,0,0]=3 418 B8R0.2 COC(=O)C(=O)C(C)Br SY096671 [0,2,0,0,0,0|0,0,1]=3 419 B8R0.2 COC(=O)C(=O)C(C)C SY005234 [0,2,0,0,0,0|0,0,1]=3 420 B8R0.2 COC(=O)C(=O)C(C)Cl SY272050 [0,2,0,0,0,0|0,0,1]=3 421 B8R0.2 COC(=O)C(Cl)C(C)=O SY051760 [0,2,0,0,0,0|0,0,1]=3 422 B8R0.2 COC(=O)C(O)C(C)N SY295220 [0,2,0,0,0,0|0,0,0]=2 423 B8R0.2 COC(=O)[C@@H](N)C(C)C SY007631 [0,2,0,0,0,0|0,0,0]=2 424 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O SY034138 [0,2,0,0,0,0|0,0,0]=2 425 B8R0.2 COC(=O)[C@@H](N)[C@H](C)O SY263671 [0,2,0,0,0,0|0,0,0]=2 426 B8R0.2 COC(=O)[C@H](N)C(C)C SY009238 [0,2,0,0,0,0|0,0,0]=2 427 B8R0.5 CCOC(=O)CC(=N)N SY003198 [0,2,0,0,0,0|1,0,1]=4 428 B8R0.5 CCOC(=O)CC(=O)O SY003789 [0,2,0,0,0,0|1,0,1]=4 429 B8R0.5 CCOC(=O)CC(=O)[O-] SY004359 [0,2,0,0,0,0|1,0,1]=4 430 B8R0.5 CCOC(=O)CC(C)Br SY018207 [0,2,0,0,0,0|0,0,0]=2 431 B8R0.5 CCOC(=O)CC(N)=O SY015543 [0,2,0,0,0,0|1,0,1]=4 432 B8R0.5 CCOC(=O)CC(N)=S SY028416 [0,2,0,0,0,0|1,0,1]=4 433 B8R0.5 CCOC(=O)C[C@@H](C)O SY017544 [0,2,0,0,0,0|0,0,0]=2 434 B8R0.5 CCOC(=O)C[C@H](C)N SY254086 [0,2,0,0,0,0|0,0,0]=2 435 B8R0.5 CCOC(=O)OC(C)Cl SY019843 [0,2,0,0,0,0|1,0,0]=3 436 B8R0.5 CCOC(=O)\C=C(\C)I SY056839 [0,2,0,0,0,0|0,0,2]=4 437 B8R0.16 COC(CC(C)O)OC SY029601 [0,2,0,0,0,0|0,0,2]=4 438 B8R0.19 CCC(=O)CC(=O)OC SY007180 [0,2,0,0,0,0|0,0,0]=2 439 B8R0.19 COC(=O)C=C(N)CF SY235487 [0,2,0,0,0,0|0,0,2]=4 440 B8R0.19 COC(=O)C[C@H](O)CO SY018663 [0,2,0,0,0,0|0,0,0]=2 441 B8R0.19 COC(=O)OC(=O)OC SY274597 [0,2,0,0,0,0|1,0,1]=4 442 B8R0.23 CC(=O)CC(=O)C(C)C SY021087 [0,2,0,0,0,0|1,0,1]=4 443 B8R0.23 CC(C)OC(=O)[C@H](C)N SY019525 [0,2,0,0,0,0|2,0,0]=4 444 B8R0.24 CNC(=O)CS(C)(=O)=O SY013498 [0,2,0,0,0,0|2,0,0]=4 445 B8R0.24 CNC(=O)OC(C)(C)C SY031549 [0,2,0,0,0,0|2,0,0]=4 446 B8R0.24 COC(=O)CS(=O)(=O)Cl SY006008 [0,2,0,0,0,0|2,0,0]=4 447 B8R0.24 COC(=O)CS(=O)(=O)[O-] SY016112 [0,2,0,0,0,0|2,0,0]=4 448 B8R0.24 COC(=O)CS(C)(=O)=O SY049864 [0,2,0,0,0,0|1,0,0]=3 449 B8R0.1 C#CCCC(=O)CCO SY106323 [0,2,0,0,0,0|1,0,1]=4 450 B8R0.1 C#CCCC(=O)OCC SY259554 [0,2,0,0,0,0|0,0,1]=3 451 B8R0.1 C=CCOC(=O)CC#N SY032622 [0,2,0,0,0,0|1,0,1]=4 452 B8R0.1 CCC#CC(=O)OCC SY045959 [0,2,0,0,0,0|0,0,1]=3 453 B8R0.1 CCOC(=O)CCCI SY014641 [0,2,0,0,0,0|0,0,0]=2 454 B8R0.1 CCOC(=O)CCCN SY015028 [0,2,0,0,0,0|0,0,0]=2 455 B8R0.1 CCOC(=O)CCCO SY263197 [0,2,0,0,0,0|0,0,0]=2 456 B8R0.1 CCOC(=O)CCNC SY019659 [0,2,0,0,0,0|0,0,0]=2 457 B8R0.1 CCOC(=O)CN=C=O SY050586 [0,2,0,0,0,0|1,0,1]=4 458 B8R0.3 C=C(CO)C(=O)OCC SY053134 [0,2,0,0,0,0|1,0,1]=4 459 B8R0.3 CCC(C)C(=O)CC#N SY268672 [0,2,0,0,0,0|1,0,1]=4 460 B8R0.3 CCOC(=O)C(=O)CC SY025393 [0,2,0,0,0,0|0,0,1]=3 461 B8R0.3 CCOC(=O)C(=O)NC SY123697 [0,2,0,0,0,0|1,0,1]=4 462 B8R0.3 CCOC(=O)C(C)C#N SY023747 [0,2,0,0,0,0|1,0,1]=4 463 B8R0.3 CCOC(=O)C(Cl)C=O SY007483 [0,2,0,0,0,0|1,0,1]=4 464 B8R0.3 CCOC(=O)C(N)CC SY013355 [0,2,0,0,0,0|0,0,0]=2 465 B8R0.3 CCOC(=O)C(N)CO SY035107 [0,2,0,0,0,0|1,0,0]=3 466 B8R0.3 CCOC(=O)[C@@H](N)CO SY016021 [0,2,0,0,0,0|1,0,0]=3 467 B8R0.3 CCOC(=O)[C@@H](N)CS SY020967 [0,2,0,0,0,0|1,0,0]=3 468 B8R0.3 CCOC(=O)[C@H](N)CO SY030352 [0,2,0,0,0,0|1,0,0]=3 469 B8R0.3 CCOC(=O)\C(Cl)=N\C SY225086 [0,2,0,0,0,0|1,0,1]=4 470 B8R0.3 CNC(=O)C(Br)CCBr SY300500 [0,2,0,0,0,0|1,0,0]=3 471 B8R0.3 CNCC(Br)C(=O)OC SY290771 [0,2,0,0,0,0|0,0,0]=2 472 B8R0.3 CNC[C@H](N)C(=O)OC SY248365 [0,2,0,0,0,0|0,0,0]=2 473 B8R0.3 COC(=O)C(Br)CCBr SY017663 [0,2,0,0,0,0|0,0,0]=2 474 B8R0.6 C#CCCCC(=O)OC SY275105 [0,2,0,0,0,0|0,0,0]=2 475 B8R0.6 CCC\C=C\C(=O)OC SY015809 [0,2,0,0,0,0|0,0,0]=2 476 B8R0.6 CCNCCC(=O)OC SY019881 [0,2,0,0,0,0|0,0,0]=2 477 B8R0.6 CNCCCC(=O)NN SY289472 [0,2,0,0,0,0|2,0,0]=4 478 B8R0.6 COC(=O)CCCC#N SY025759 [0,2,0,0,0,0|0,0,0]=2 479 B8R0.6 COC(=O)CCCC=O SY056793 [0,2,0,0,0,0|0,0,0]=2 480 B8R0.6 COC(=O)CCCCBr SY013898 [0,2,0,0,0,0|0,0,0]=2 481 B8R0.6 COC(=O)CCCCN SY117564 [0,2,0,0,0,0|0,0,0]=2 482 B8R0.6 COCCCC(=O)OC SY096667 [0,2,0,0,0,0|0,0,0]=2 483 B8R0.6 C\C=C\C=C\C(=O)OC SY115509 [0,2,0,0,0,0|0,0,2]=4 484 B8R0.8 C=C(C)C(=O)OCCN SY063537 [0,2,0,0,0,0|2,0,0]=4 485 B8R0.9 C=CC(=O)NCC(C)O SY261906 [0,2,0,0,0,0|1,0,1]=4 486 B8R0.9 CCC(=O)CCC(=O)O SY270773 [0,2,0,0,0,0|1,0,1]=4 487 B8R0.9 CCC(=O)NCC(C)C SY034683 [0,2,0,0,0,0|1,0,0]=3 488 B8R0.9 CN(C)CCC(=O)NN SY137573 [0,2,0,0,0,0|2,0,0]=4 489 B8R0.9 COC(=O)CCC(=O)O SY009523 [0,2,0,0,0,0|0,0,1]=3 490 B8R0.9 COC(=O)CCC(C)=O SY048239 [0,2,0,0,0,0|0,0,0]=2 491 B8R0.9 COC(=O)CCS(=O)[O-] SY106186 [0,2,0,0,0,0|1,0,0]=3 492 B8R0.9 COC(=O)CC[N+](=O)[O-] SY266571 [0,2,0,0,0,0|1,0,0]=3 493 B8R0.9 COC(=O)NCC(=O)O SY032049 [0,2,0,0,0,0|1,0,1]=4 494 B8R0.9 COC(=O)\C=C\C(C)C SY263740 [0,2,0,0,0,0|0,0,1]=3 495 B8R0.11 COC(CCCBr)OC SY059218 [0,2,0,0,0,0|0,0,2]=4 496 B8R0.14 CCOC(=O)C(C)(C)N SY042941 [0,2,0,0,0,0|2,0,0]=4 497 B8R0.14 CCOC(=O)C(C)(F)F SY031452 [0,2,0,0,0,0|2,0,0]=4 498 B8R0.15 CCCC(=NO)C(N)=O SY251064 [0,2,0,0,0,0|2,0,0]=4 499 B8R0.15 CCCC(OC)C(=O)O SY057656 [0,2,0,0,0,0|0,0,1]=3 500 B8R0.30 CCOP(=O)(O)OCC SY111669 [0,2,0,0,0,0|2,0,0]=4 501 B8R0.30 CCOP(=O)([O-])OCC SY277147 [0,2,0,0,0,0|2,0,0]=4 502 B8R0.13 COC(=O)C(C)(C)C#N SY023289 [0,2,0,0,0,0|1,0,1]=4 503 B8R0.13 COC(=O)C(C)(C)CN SY026501 [0,2,0,0,0,0|1,0,0]=3 504 B8R0.13 COC(=O)C(C)(C)CO SY001211 [0,2,0,0,0,0|1,0,0]=3 505 B8R0.13 COC(=O)[C@](C)(N)CO SY262891 [0,2,0,0,0,0|1,0,0]=3 506 B8R0.20 COC(=O)C(OC)OC SY033419 [0,2,0,0,0,0|1,0,0]=3 507 B6R1.2 C=C1CCNC1 SY038558 [1,0,0,1,0,0|2,0,0]=4 508 B6R1.2 CC1=NCCC1 SY015490 [1,0,0,1,0,0|1,0,0]=3 509 B6R1.2 CC1CCCN1 SY042657 [1,0,0,1,0,0|1,0,1]=4 510 B6R1.2 C[C@@H]1CCCN1 SY019809 [1,0,0,1,0,0|1,0,1]=4 511 B6R1.2 C[C@H]1CCCN1 SY019821 [1,0,0,1,0,0|1,0,1]=4 512 B6R1.2 C[S+]1CCCC1 SY251130 [1,0,0,1,0,0|2,0,0]=4 513 B6R1.2 IC1CCCC1 SY019127 [1,0,0,1,0,0|1,0,1]=4 514 B6R1.2 NC1=NCCC1 SY030217 [1,0,0,1,0,0|2,0,0]=4 515 B6R1.2 O=C1C=CCO1 SY017893 [1,0,0,1,0,0|0,0,2]=4 516 B6R1.2 O=C1CCNC1 SY019727 [1,0,0,1,0,0|1,0,0]=3 517 B6R1.2 O=C1CCNN1 SY073624 [1,0,0,1,0,0|2,0,0]=4 518 B6R1.2 O=C1CCOC1 SY003100 [1,0,0,1,0,0|1,0,0]=3 519 B6R1.2 O=C1NCCO1 SY003480 [1,0,0,1,0,0|1,0,0]=3 520 B6R1.2 O=C1NCCS1 SY037960 [1,0,0,1,0,0|1,1,0]=4 521 B6R1.2 O=S1OCCO1 SY036937 [1,0,0,1,0,0|2,0,0]=4 522 B6R1.2 OC1CCCO1 SY016132 [1,0,0,1,0,0|0,0,2]=4 523 B6R1.5 CC1CC(O)C1 SY203262 [1,0,0,1,0,0|0,0,2]=4 524 B6R1.5 C[C@H]1C[C@H](C)N1 SY310795 [1,0,0,1,0,0|1,0,1]=4 525 B6R1.5 NC1CC(=O)C1 SY022838 [1,0,0,1,0,0|1,0,0]=3 526 B6R1.5 O=C1CC(Br)C1 SY029031 [1,0,0,1,0,0|1,0,0]=3 527 B6R1.10 CC1(N)CCC1 SY025586 [1,0,0,1,0,0|1,0,1]=4 528 B6R1.10 CC1(O)CCC1 SY196215 [1,0,0,1,0,0|0,0,2]=4 529 B6R1.11 CC(N)C1CC1 SY023598 [1,0,0,1,0,0|1,0,1]=4 530 B6R1.11 C[C@@H](N)C1CC1 SY111958 [1,0,0,1,0,0|1,0,1]=4 531 B6R1.11 C[C@H](N)C1CC1 SY099127 [1,0,0,1,0,0|1,0,1]=4 532 B6R1.11 N=C(N)C1CC1 SY018430 [1,0,0,1,0,0|2,0,0]=4 533 B6R1.11 NC(=O)C1CC1 SY018785 [1,0,0,1,0,0|1,0,0]=3 534 B6R1.11 NC(=S)C1CC1 SY083849 [1,0,0,1,0,0|1,1,0]=4 535 B6R1.11 O=C(O)[C@H]1CO1 SY289468 [1,0,0,1,0,0|1,0,0]=3 536 B6R1.11 O=S([O-])C1CC1 SY005658 [1,0,0,1,0,0|1,0,1]=4 537 B6R1.11 OB(O)C1CC1 SY004028 [1,0,0,1,0,0|1,0,1]=4 538 B6R1.1 C1=CCNCC1 SY020557 [1,0,0,1,0,0|2,0,0]=4 539 B6R1.1 C1CCNNC1 SY028291 [1,0,0,1,0,0|2,0,0]=4 540 B6R1.1 C1CCONC1 SY105413 [1,0,0,1,0,0|1,0,0]=3 541 B6R1.1 C1COCCN1 SY059143 [1,0,0,1,0,0|1,0,1]=4 542 B6R1.6 BrCC1COC1 SY059797 [1,0,0,1,0,0|1,0,1]=4 543 B6R1.6 CNC1COC1 SY047195 [1,0,0,1,0,0|1,0,1]=4 544 B6R1.6 COC1CNC1 SY021482 [1,0,0,1,0,0|1,0,1]=4 545 B6R1.6 NCC1COC1 SY025447 [1,0,0,1,0,0|1,0,1]=4 546 B6R1.6 NCC1COC1 SY098725 [1,0,0,1,0,0|1,0,1]=4 547 B6R1.6 OCC1COC1 SY009472 [1,0,0,1,0,0|1,0,1]=4 548 B6R1.6 ON=C1CCC1 SY185260 [1,0,0,1,0,0|2,0,0]=4 549 B8R1.1 CCC1CCC(=O)O1 SY015382 [0,1,0,1,0,0|1,0,0]=3 550 B8R1.1 CO[C@H]1CCN(C)C1 SY275508 [0,1,0,1,0,0|1,0,1]=4 551 B8R1.1 N#CC1CCC(=O)C1 SY038122 [0,1,0,1,0,0|1,0,1]=4 552 B8R1.1 NCC1CCC(=O)N1 SY006694 [0,1,0,1,0,0|2,0,0]=4 553 B8R1.1 NCC1COC(=O)N1 SY040257 [0,1,0,1,0,0|1,0,0]=3 554 B8R1.1 NC[C@@H]1CCC(=O)N1 SY045358 [0,1,0,1,0,0|2,0,0]=4 555 B8R1.1 NC[C@@H]1CCC(=O)N1 SY215400 [0,1,0,1,0,0|2,0,0]=4 556 B8R1.1 NC[C@H]1CCC(=O)N1 SY024297 [0,1,0,1,0,0|2,0,0]=4 557 B8R1.1 O=C1C=C(CBr)CO1 SY003604 [0,1,0,1,0,0|0,0,2]=4 558 B8R1.1 O=C1CC(CBr)CN1 SY205276 [0,1,0,1,0,0|1,0,0]=3 559 B8R1.1 O=C1CC(CO)CN1 SY008749 [0,1,0,1,0,0|1,0,0]=3 560 B8R1.1 O=C1CCC(CBr)O1 SY250804 [0,1,0,1,0,0|2,0,0]=4 561 B8R1.1 O=C1CCC(CO)N1 SY059670 [0,1,0,1,0,0|2,0,0]=4 562 B8R1.1 O=C1CC[C@@H](CBr)N1 SY033743 [0,1,0,1,0,0|2,0,0]=4 563 B8R1.1 O=C1CC[C@@H](CO)N1 SY004165 [0,1,0,1,0,0|2,0,0]=4 564 B8R1.1 O=C1CC[C@@H](CO)O1 SY010497 [0,1,0,1,0,0|2,0,0]=4 565 B8R1.1 O=C1CC[C@H](CBr)N1 SY066920 [0,1,0,1,0,0|2,0,0]=4 566 B8R1.1 O=C1CC[C@H](CO)N1 SY004164 [0,1,0,1,0,0|2,0,0]=4 567 B8R1.1 O=C1NC(CO)CO1 SY038213 [0,1,0,1,0,0|1,0,0]=3 568 B8R1.1 O=C1NCC(CO)O1 SY005286 [0,1,0,1,0,0|2,0,0]=4 569 B8R1.1 O=C1N[C@@H](CO)CO1 SY284529 [0,1,0,1,0,0|1,0,0]=3 570 B8R1.1 O=C1N[C@H](CO)CO1 SY251331 [0,1,0,1,0,0|1,0,0]=3 571 B8R1.1 O=C1OCC(CO)O1 SY037075 [0,1,0,1,0,0|1,0,0]=3 572 B8R1.4 CC1=CC(=O)CCC1 SY011435 [0,1,0,1,0,0|1,0,0]=3 573 B8R1.4 CC1CC(O)CCO1 SY023229 [0,1,0,1,0,0|1,0,1]=4 574 B8R1.4 CC1CCCC(=O)N1 SY033090 [0,1,0,1,0,0|1,0,0]=3 575 B8R1.4 CC1CCCC(=O)O1 SY048899 [0,1,0,1,0,0|0,0,0]=2 576 B8R1.4 CC1CCNC(=O)C1 SY033089 [0,1,0,1,0,0|1,0,0]=3 577 B8R1.4 CN1CCCC(=O)C1 SY023480 [0,1,0,1,0,0|1,0,0]=3 578 B8R1.4 C[C@@H]1CC(=O)CCN1 SY259242 [0,1,0,1,0,0|1,0,0]=3 579 B8R1.4 C[C@@H]1CNCC(=O)N1 SY259669 [0,1,0,1,0,0|2,0,0]=4 580 B8R1.4 C[C@H]1CC(=O)CCN1 SY234011 [0,1,0,1,0,0|1,0,0]=3 581 B8R1.4 C[C@H]1CCCC(=O)C1 SY290780 [0,1,0,1,0,0|1,0,0]=3 582 B8R1.4 NC1=CC(=O)CCC1 SY019251 [0,1,0,1,0,0|1,0,1]=4 583 B8R1.4 NC1CCNC(=O)C1 SY098707 [0,1,0,1,0,0|1,0,0]=3 584 B8R1.4 O=C1CC(O)CCN1 SY029027 [0,1,0,1,0,0|1,0,0]=3 585 B8R1.4 O=C1CCCC(=O)C1 SY004453 [0,1,0,1,0,0|1,0,1]=4 586 B8R1.4 O=C1CCCC(=O)N1 SY049583 [0,1,0,1,0,0|1,0,1]=4 587 B8R1.4 O=C1CCNC(=O)C1 SY004226 [0,1,0,1,0,0|1,0,1]=4 588 B8R1.4 O=C1COCC(=O)C1 SY042206 [0,1,0,1,0,0|1,0,1]=4 589 B8R1.4 O=C1COCC(=O)O1 SY005494 [0,1,0,1,0,0|1,0,1]=4 590 B8R1.4 O=C1C[C@H](O)CCN1 SY238615 [0,1,0,1,0,0|1,0,0]=3 591 B8R1.18 CC1=C(C)OC(=O)O1 SY021193 [0,1,0,1,0,0|1,0,1]=4 592 B8R1.18 CC1=CC(=O)OC1O SY104829 [0,1,0,1,0,0|0,0,2]=4 593 B8R1.18 CC1=NN(C)C(=O)C1 SY030288 [0,1,0,1,0,0|1,0,1]=4 594 B8R1.18 CC1CC(=O)OC1=O SY113513 [0,1,0,1,0,0|0,0,1]=3 595 B8R1.18 CC1CC(=O)OC1C SY262129 [0,1,0,1,0,0|0,0,0]=2 596 B8R1.18 C[C@H]1NC(=O)OC1=O SY103956 [0,1,0,1,0,0|1,0,1]=4 597 B8R1.51 CC1(C)CCC(=O)C1 SY043145 [0,1,0,1,0,0|1,0,0]=3 598 B8R1.51 CC1(C)CCC(=O)N1 SY023743 [0,1,0,1,0,0|2,0,0]=4 599 B8R1.51 CC1(C)CNC(=O)C1 SY015235 [0,1,0,1,0,0|1,0,0]=3 600 B8R1.51 CC1(C)CNC(=O)N1 SY273056 [0,1,0,1,0,0|2,0,0]=4 601 B8R1.51 CC1COS(=O)(=O)C1 SY264357 [0,1,0,1,0,0|1,0,0]=3 602 B8R1.51 C[C@@H]1COS(=O)(=O)O1 SY247372 [0,1,0,1,0,0|2,0,0]=4 603 B8R1.2 COC1CCCNC1 SY041935 [0,1,0,1,0,0|1,0,1]=4 604 B8R1.2 COC1CCCNC1 SY104362 [0,1,0,1,0,0|1,0,1]=4 605 B8R1.2 COC1CCNCC1 SY003146 [0,1,0,1,0,0|1,0,1]=4 606 B8R1.2 COC1CCNCC1 SY020458 [0,1,0,1,0,0|1,0,1]=4 607 B8R1.2 CO[C@H]1CCCNC1 SY098191 [0,1,0,1,0,0|1,0,1]=4 608 B8R1.2 N#CC1=CCCCO1 SY003576 [0,1,0,1,0,0|1,0,1]=4 609 B8R1.2 NCC1CCCCO1 SY003242 [0,1,0,1,0,0|1,0,1]=4 610 B8R1.2 NOC1CCCCO1 SY004632 [0,1,0,1,0,0|0,0,2]=4 611 B8R1.2 O=CC1CCCCN1 SY239012 [0,1,0,1,0,0|1,0,1]=4 612 B8R1.2 O=CC1COCCO1 SY277014 [0,1,0,1,0,0|1,0,1]=4 613 B8R1.2 OCC1CCCCO1 SY003220 [0,1,0,1,0,0|0,0,2]=4 614 B8R1.2 ON=C1CCCCC1 SY011165 [0,1,0,1,0,0|1,0,1]=4 615 B8R1.3 CC1=NNC(=O)CC1 SY023987 [0,1,0,1,0,0|2,0,0]=4 616 B8R1.3 CC1C=CC(=O)CC1 SY100224 [0,1,0,1,0,0|1,0,1]=4 617 B8R1.3 CC1CNC(=O)CO1 SY032981 [0,1,0,1,0,0|1,0,0]=3 618 B8R1.3 C[C@H]1CO[C@@H](C)CN1 SY039550 [0,1,0,1,0,0|1,0,1]=4 619 B8R1.3 NC1CCC(=O)CC1 SY017243 [0,1,0,1,0,0|1,0,0]=3 620 B8R1.3 NC1CCC(=O)NC1 SY022821 [0,1,0,1,0,0|1,0,0]=3 621 B8R1.3 N[C@@H]1CCC(=O)NC1 SY036453 [0,1,0,1,0,0|1,0,0]=3 622 B8R1.3 O=C1CCC(=O)CC1 SY002914 [0,1,0,1,0,0|1,0,1]=4 623 B8R1.3 O=C1CCC(Br)CC1 SY275581 [0,1,0,1,0,0|1,0,0]=3 624 B8R1.3 O=C1CCC(O)CC1 SY005938 [0,1,0,1,0,0|1,0,0]=3 625 B8R1.3 O=C1CCC(O)CN1 SY034611 [0,1,0,1,0,0|1,0,0]=3 626 B8R1.3 O=C1CC[C@H](O)CN1 SY107535 [0,1,0,1,0,0|1,0,0]=3 627 B8R1.5 BrC1=C(Br)CCCC1 SY272424 [0,1,0,1,0,0|2,0,0]=4 628 B8R1.5 CC1COCCC1=O SY023092 [0,1,0,1,0,0|1,0,0]=3 629 B8R1.5 CC1NCCNC1=O SY042487 [0,1,0,1,0,0|2,0,0]=4 630 B8R1.5 CC1OCCNC1=O SY032980 [0,1,0,1,0,0|2,0,0]=4 631 B8R1.5 CN1CCNCC1=O SY025326 [0,1,0,1,0,0|1,0,0]=3 632 B8R1.5 CN1CCNCC1=O SY025555 [0,1,0,1,0,0|1,0,0]=3 633 B8R1.5 C[C@@H]1NCCNC1=O SY020656 [0,1,0,1,0,0|2,0,0]=4 634 B8R1.5 C[C@H]1NCCNC1=O SY020655 [0,1,0,1,0,0|2,0,0]=4 635 B8R1.5 NC1CCCNC1=O SY005645 [0,1,0,1,0,0|1,0,0]=3 636 B8R1.5 NC1CCCNC1=O SY011636 [0,1,0,1,0,0|1,0,0]=3 637 B8R1.5 N[C@@H]1CCCNC1=O SY029118 [0,1,0,1,0,0|1,0,0]=3 638 B8R1.5 N[C@H]1CCCNC1=O SY005643 [0,1,0,1,0,0|1,0,0]=3 639 B8R1.5 N[C@H]1CCCNC1=O SY027641 [0,1,0,1,0,0|1,0,0]=3 640 B8R1.5 O=C1CCCCC1=O SY018311 [0,1,0,1,0,0|1,0,0]=3 641 B8R1.5 O=C1CCCCC1Cl SY038921 [0,1,0,1,0,0|1,0,0]=3 642 B8R1.5 O=C1CCNCC1F SY015074 [0,1,0,1,0,0|2,0,0]=4 643 B8R1.5 O=C1CCOCC1Br SY030109 [0,1,0,1,0,0|2,0,0]=4 644 B8R1.5 O=C1CCOCC1Cl SY030110 [0,1,0,1,0,0|2,0,0]=4 645 B8R1.5 O=C1NCCCC1Br SY105168 [0,1,0,1,0,0|1,0,0]=3 646 B8R1.5 O=C1NCCCC1O SY110845 [0,1,0,1,0,0|1,0,0]=3 647 B8R1.5 O=C1OCCC=C1Br SY058540 [0,1,0,1,0,0|0,0,2]=4 648 B8R1.22 CC1CNCCCO1 SY124393 [0,1,0,1,0,0|1,0,1]=4 649 B8R1.22 O=C1C=CCCCC1 SY041083 [0,1,0,1,0,0|1,0,0]=3 650 B8R1.22 O=C1CCCCNC1 SY040205 [0,1,0,1,0,0|1,0,0]=3 651 B8R1.22 O=C1CCCNCC1 SY017922 [0,1,0,1,0,0|1,0,0]=3 652 B8R1.22 O=C1CCCOCC1 SY036485 [0,1,0,1,0,0|1,0,0]=3 653 B8R1.22 O=C1CCNCCN1 SY019808 [0,1,0,1,0,0|1,0,0]=3 654 B8R1.22 O=C1CCNCCN1 SY075066 [0,1,0,1,0,0|1,0,0]=3 655 B8R1.22 O=C1CCOCCN1 SY029460 [0,1,0,1,0,0|1,0,0]=3 656 B8R1.22 O=C1CNCCCN1 SY032801 [0,1,0,1,0,0|1,0,0]=3 657 B8R1.38 CNC(=O)C1CNC1 SY156287 [0,1,0,1,0,0|1,0,0]=3 658 B8R1.38 COC(=N)C1CCC1 SY300137 [0,1,0,1,0,0|1,0,0]=3 659 B8R1.38 COC(=O)C1CCN1 SY013593 [0,1,0,1,0,0|0,0,0]=2 660 B8R1.38 COC(=O)C1CNC1 SY015501 [0,1,0,1,0,0|0,0,0]=2 661 B8R1.38 COC(=O)C1COC1 SY099187 [0,1,0,1,0,0|0,0,0]=2 662 B8R1.50 CC1C(=O)CCC1=O SY015623 [0,1,0,1,0,0|1,0,1]=4 663 B8R1.50 CN1C(=O)CCC1O SY040014 [0,1,0,1,0,0|1,0,0]=3 664 B8R1.50 CN1CC[C@@H](N)C1=O SY278464 [0,1,0,1,0,0|1,0,0]=3 665 B8R1.50 O=C1OC[C@@H](O)[C@H]1O SY027383 [0,1,0,1,0,0|1,0,0]=3 666 B8R1.50 O=C1OC[C@H](O)[C@@H]1Br SY257674 [0,1,0,1,0,0|1,0,0]=3 667 B8R1.50 O=C1OC[C@H](O)[C@H]1O SY264849 [0,1,0,1,0,0|1,0,0]=3 668 B8R1.19 CC1(C)CCNC1=O SY067839 [0,1,0,1,0,0|2,0,0]=4 669 B8R1.19 CC1(C)CCOC1=O SY029932 [0,1,0,1,0,0|2,0,0]=4 670 B8R1.19 CN1CCCS1(=O)=O SY031095 [0,1,0,1,0,0|2,0,0]=4 671 B8R1.37 CCOC(=N)C1CC1 SY056676 [0,1,0,1,0,0|1,0,0]=3 672 B8R1.37 N#CCC(=O)C1CC1 SY004536 [0,1,0,1,0,0|1,0,1]=4 673 B8R1.54 CC(Br)C(=O)C1CC1 SY034182 [0,1,0,1,0,0|1,0,0]=3 674 B8R1.54 O=C(O)C(=O)C1CC1 SY057726 [0,1,0,1,0,0|2,0,0]=4 675 B8R1.8 COCC1CCCN1 SY122813 [0,1,0,1,0,0|1,0,1]=4 676 B8R1.8 COC[C@H]1CCCN1 SY013140 [0,1,0,1,0,0|1,0,1]=4 677 B8R1.11 N#CC1CCCC1=O SY064897 [0,1,0,1,0,0|1,0,1]=4 678 B8R1.11 N#CC1COCC1=O SY099400 [0,1,0,1,0,0|1,0,1]=4 679 B8R1.11 NCC1CCCC1=O SY158694 [0,1,0,1,0,0|1,0,0]=3 680 B8R1.11 O=CC1=C(Cl)CCC1 SY264303 [0,1,0,1,0,0|2,0,0]=4 681 B8R1.11 O=CN1CCCC1=O SY270795 [0,1,0,1,0,0|1,0,1]=4 682 B8R1.39 CC1(C(=O)NN)CC1 SY096632 [0,1,0,1,0,0|2,0,0]=4 683 B8R1.39 COC(=O)C1(Br)CC1 SY029022 [0,1,0,1,0,0|0,0,0]=2 684 B8R1.39 COC(=O)C1(N)CC1 SY003514 [0,1,0,1,0,0|0,0,0]=2 685 B8R1.39 COC(=O)C1(N)CC1 SY017503 [0,1,0,1,0,0|0,0,0]=2 686 B8R1.72 O=S1(=O)CCCCN1 SY025101 [0,1,0,1,0,0|2,0,0]=4 687 B8R1.72 O=S1(=O)CCCCO1 SY006382 [0,1,0,1,0,0|1,0,0]=3 688 B8R2.55 C1CCC2(C1)CO2 SY197069 [0,0,0,2,0,0|1,0,1]=4 689 B8R2.38 [C@@H]12CC1CNC2=O SY266158 [0,0,0,2,0,0|1,0,0]=3