0 B8R0.7 B(CCCCCC)(O)O B22446 [0,0,0,0,0,0|2,0,1]=3 1 B8R0.7 C#CCCCCC(=O)O H53519 [0,0,0,0,0,0|1,0,2]=3 2 B8R0.7 C(CCC(=O)Cl)CCBr A11063 [0,0,0,0,0,0|2,0,0]=2 3 B8R0.7 C(CCC(=O)Cl)CCCl L11111 [0,0,0,0,0,0|2,0,0]=2 4 B8R0.7 C(CCC(=O)O)CCBr A15761 [0,0,0,0,0,0|2,0,0]=2 5 B8R0.7 C(CCC(=O)O)CCN A14719 [0,0,0,0,0,0|2,0,0]=2 6 B8R0.7 C(CCC(=O)O)CCO B24857 [0,0,0,0,0,0|2,0,0]=2 7 B8R0.7 C(CCNC(=N)N)CN H55363 [0,0,0,0,0,0|4,0,0]=4 8 B8R0.7 C(CNCC(=O)O)C#N A18199 [0,0,0,0,0,0|3,0,1]=4 9 B8R0.7 C=CCCCCC(=O)O L13144 [0,0,0,0,0,0|1,0,2]=3 10 B8R0.7 CC(=O)OCCCC=C B20258 [0,0,0,0,0,0|1,0,2]=3 11 B8R0.7 CC(=O)OCCCCBr A15632 [0,0,0,0,0,0|2,0,0]=2 12 B8R0.7 CC(=O)OCCCCCl B22582 [0,0,0,0,0,0|2,0,0]=2 13 B8R0.7 CC(=O)OCCCCI H31826 [0,0,0,0,0,0|2,0,0]=2 14 B8R0.7 CC(C)CCCCCN B24746 [0,0,0,0,0,0|2,0,1]=3 15 B8R0.7 CCCCCCC(=O)C A11643 [0,0,0,0,0,0|0,0,0]=0 16 B8R0.7 CCCCCCC(=O)Cl L03315 [0,0,0,0,0,0|1,0,0]=1 17 B8R0.7 CCCCCCC(=O)O A17704 [0,0,0,0,0,0|1,0,0]=1 18 B8R0.7 CCCCCCC(C)O A16985 [0,0,0,0,0,0|0,0,2]=2 19 B8R0.7 CCCCCCN(C)C A17364 [0,0,0,0,0,0|2,0,0]=2 20 B8R0.7 CCCCCC[C@@H](C)N L19308 [0,0,0,0,0,0|1,0,1]=2 21 B8R0.7 CCCCCC[C@@H](C)O L11502 [0,0,0,0,0,0|0,0,2]=2 22 B8R0.7 CCCCCC[C@H](C)N L19309 [0,0,0,0,0,0|1,0,1]=2 23 B8R0.7 CCCCCC[C@H](C)O L12425 [0,0,0,0,0,0|0,0,2]=2 24 B8R0.7 CCCCCOC(=O)C L10852 [0,0,0,0,0,0|1,0,0]=1 25 B8R0.7 CCCCOCC(=O)O H50210 [0,0,0,0,0,0|2,0,0]=2 26 B8R0.7 CCCC\C=C\C(=O)C A14652 [0,0,0,0,0,0|0,0,2]=2 27 B8R0.7 CCCC\C=C\C(C)O B21741 [0,0,0,0,0,0|0,0,4]=4 28 B8R0.7 CCOCCOC(=O)C A13639 [0,0,0,0,0,0|2,0,0]=2 29 B8R0.7 COCCOCC(=O)Cl L18423 [0,0,0,0,0,0|3,0,0]=3 30 B8R0.7 COCCOCC(=O)O L20090 [0,0,0,0,0,0|3,0,0]=3 31 B7R0.1 C#CCCCCCO H61509 [1,0,0,0,0,0|1,0,2]=4 32 B7R0.1 C(CCC#N)CCBr A10400 [1,0,0,0,0,0|2,0,1]=4 33 B7R0.1 C(CCC#N)CCN H27804 [1,0,0,0,0,0|2,0,1]=4 34 B7R0.1 C(CCC#N)CC[Zn+] H58480 [1,0,0,0,0,0|2,0,1]=4 35 B7R0.1 C(CCCBr)CCBr A13417 [1,0,0,0,0,0|2,0,1]=4 36 B7R0.1 C(CCCBr)CCCl B21619 [1,0,0,0,0,0|2,0,1]=4 37 B7R0.1 C(CCCBr)CCO B21803 [1,0,0,0,0,0|1,0,2]=4 38 B7R0.1 C(CCCCl)CCCl B21763 [1,0,0,0,0,0|2,0,1]=4 39 B7R0.1 C(CCCCl)CCO A14582 [1,0,0,0,0,0|1,0,2]=4 40 B7R0.1 C(CCCI)CCCl L05198 [1,0,0,0,0,0|2,0,1]=4 41 B7R0.1 C(CCCI)CCI A15368 [1,0,0,0,0,0|2,0,1]=4 42 B7R0.1 C(CCCN)CCN A14212 [1,0,0,0,0,0|2,0,1]=4 43 B7R0.1 C(CCCO)CCN L14157 [1,0,0,0,0,0|1,0,2]=4 44 B7R0.1 C(CCCO)CCO A12439 [1,0,0,0,0,0|1,0,2]=4 45 B7R0.1 C(CCCS)CCS L06686 [1,0,0,0,0,0|1,1,1]=4 46 B7R0.1 C(CCC[Zn+])CCCl H58330 [1,0,0,0,0,0|2,0,1]=4 47 B7R0.1 C=CCCCCC#N L13137 [1,0,0,0,0,0|1,0,2]=4 48 B7R0.1 C=CCCCCC=C L07659 [1,0,0,0,0,0|0,0,3]=4 49 B7R0.1 C=CCCCCCBr H64127 [1,0,0,0,0,0|1,0,1]=3 50 B7R0.1 CCCC#CCCC 43157 [1,0,0,0,0,0|0,0,3]=4 51 B7R0.1 CCCCCC#CC A10197 [1,0,0,0,0,0|0,0,2]=3 52 B7R0.1 CCCCCCC#C A12440 [1,0,0,0,0,0|0,0,2]=3 53 B7R0.1 CCCCCCC#N A12326 [1,0,0,0,0,0|1,0,1]=3 54 B7R0.1 CCCCCCC=C A11146 [1,0,0,0,0,0|0,0,1]=2 55 B7R0.1 CCCCCCC=O B23830 [1,0,0,0,0,0|0,0,0]=1 56 B7R0.1 CCCCCCCBr A14031 [1,0,0,0,0,0|1,0,1]=3 57 B7R0.1 CCCCCCCC A13181 [1,0,0,0,0,0|0,0,1]=2 58 B7R0.1 CCCCCCCI B24206 [1,0,0,0,0,0|1,0,1]=3 59 B7R0.1 CCCCCCCN A17922 [1,0,0,0,0,0|1,0,1]=3 60 B7R0.1 CCCCCCCO A12793 [1,0,0,0,0,0|0,0,2]=3 61 B7R0.1 CCCCCCCS L07079 [1,0,0,0,0,0|0,1,1]=3 62 B7R0.1 CCCCCCC[Mg+] H51173 [1,0,0,0,0,0|1,0,1]=3 63 B7R0.1 CCCCCCC[Zn+] H58840 [1,0,0,0,0,0|1,0,1]=3 64 B7R0.1 CCCCCCOC A17207 [1,0,0,0,0,0|1,0,0]=2 65 B7R0.1 CCCCCN=C=O L13399 [1,0,0,0,0,0|1,0,1]=3 66 B7R0.1 CCCCCN=C=S A14972 [1,0,0,0,0,0|1,1,1]=4 67 B7R0.1 CCCCC\C=C\C L03862 [1,0,0,0,0,0|0,0,1]=2 68 B7R0.1 CCCCC\C=C\C L12606 [1,0,0,0,0,0|0,0,1]=2 69 B7R0.1 CCCCNCCN L13437 [1,0,0,0,0,0|2,0,1]=4 70 B7R0.1 CCCCOCC=C H53408 [1,0,0,0,0,0|1,0,1]=3 71 B7R0.1 CCCCOCCO A17976 [1,0,0,0,0,0|1,0,2]=4 72 B7R0.1 CCCCSN#CC B22336 [1,0,0,0,0,0|2,0,1]=4 73 B7R0.1 CCCC\C=C\CC 43154 [1,0,0,0,0,0|0,0,3]=4 74 B7R0.1 CCCSSCCC L09881 [1,0,0,0,0,0|2,0,1]=4 75 B7R0.1 CCC\C=C/CCC 43156 [1,0,0,0,0,0|0,0,3]=4 76 B7R0.1 CCC\C=C\CCC 43155 [1,0,0,0,0,0|0,0,3]=4 77 B7R0.1 CCNCCNCC A17113 [1,0,0,0,0,0|2,0,1]=4 78 B7R0.1 CCOCCOCC L14283 [1,0,0,0,0,0|2,0,1]=4 79 B7R0.1 COCCOCCBr L05406 [1,0,0,0,0,0|3,0,0]=4 80 B7R0.1 COCCOCCO A16063 [1,0,0,0,0,0|3,0,0]=4 81 B7R0.4 C#CCCCC(=O)O B25132 [1,0,0,0,0,0|1,0,2]=4 82 B7R0.4 C(CC#N)CC(=O)O H66674 [1,0,0,0,0,0|2,0,1]=4 83 B7R0.4 C(CCBr)CC(=O)Cl A18046 [1,0,0,0,0,0|2,0,0]=3 84 B7R0.4 C(CCBr)CC(=O)O A11765 [1,0,0,0,0,0|2,0,0]=3 85 B7R0.4 C(CCCl)CC(=O)Cl H56237 [1,0,0,0,0,0|2,0,0]=3 86 B7R0.4 C(CCN)CC(=O)O A15043 [1,0,0,0,0,0|2,0,0]=3 87 B7R0.4 C(CCN)CC(=O)O B24788 [1,0,0,0,0,0|2,0,0]=3 88 B7R0.4 C(COCC(=O)O)N H52289 [1,0,0,0,0,0|3,0,0]=4 89 B7R0.4 C=CCCCC(=O)O L12863 [1,0,0,0,0,0|1,0,2]=4 90 B7R0.4 CC#CCOC(=O)C B24584 [1,0,0,0,0,0|1,0,2]=4 91 B7R0.4 CC(=O)CCCCCl H53462 [1,0,0,0,0,0|1,0,0]=2 92 B7R0.4 CC(=O)OCCCCl B25013 [1,0,0,0,0,0|2,0,0]=3 93 B7R0.4 CC(C)CCCCBr L09486 [1,0,0,0,0,0|2,0,1]=4 94 B7R0.4 CC(C)CCCCCl B20133 [1,0,0,0,0,0|2,0,1]=4 95 B7R0.4 CCCC#CC(=O)O L02526 [1,0,0,0,0,0|1,0,2]=4 96 B7R0.4 CCCCCC(=O)C A10200 [1,0,0,0,0,0|0,0,0]=1 97 B7R0.4 CCCCCC(=O)Cl B23027 [1,0,0,0,0,0|1,0,0]=2 98 B7R0.4 CCCCCC(=O)N H25929 [1,0,0,0,0,0|1,0,0]=2 99 B7R0.4 CCCCCC(=O)O A13789 [1,0,0,0,0,0|1,0,0]=2 100 B7R0.4 CCCCCC(C)C H26220 [1,0,0,0,0,0|1,0,1]=3 101 B7R0.4 CCCCCC(C)N B22863 [1,0,0,0,0,0|1,0,1]=3 102 B7R0.4 CCCCCC(C)N L08596 [1,0,0,0,0,0|1,0,1]=3 103 B7R0.4 CCCCCC(C)O A18391 [1,0,0,0,0,0|0,0,2]=3 104 B7R0.4 CCCCCC(C)[Zn+] H58890 [1,0,0,0,0,0|1,0,1]=3 105 B7R0.4 CCCCC[C@@H](C)N L19306 [1,0,0,0,0,0|1,0,1]=3 106 B7R0.4 CCCCC[C@H](C)N L19307 [1,0,0,0,0,0|1,0,1]=3 107 B7R0.4 CCCCC[C@H](C)O 33795 [1,0,0,0,0,0|0,0,2]=3 108 B7R0.4 CCCCNC(=O)N L02854 [1,0,0,0,0,0|2,0,0]=3 109 B7R0.4 CCCCNC(=S)N L09654 [1,0,0,0,0,0|2,1,0]=4 110 B7R0.4 CCCCOC(=O)C 19395 [1,0,0,0,0,0|1,0,0]=2 111 B7R0.4 CCCCOC(=O)C 39197 [1,0,0,0,0,0|1,0,0]=2 112 B7R0.4 CCCCOC(=O)C A19412 [1,0,0,0,0,0|1,0,0]=2 113 B7R0.4 CCCCOC(=O)Cl B22215 [1,0,0,0,0,0|2,0,0]=3 114 B7R0.4 CCC\C=C\C(=O)C A19086 [1,0,0,0,0,0|0,0,2]=3 115 B7R0.4 CCC\C=C\C(=O)O A13571 [1,0,0,0,0,0|1,0,2]=4 116 B7R0.4 CCNCCN(C)C L03180 [1,0,0,0,0,0|3,0,0]=4 117 B7R0.4 CC\C=C\CC(=O)O A13428 [1,0,0,0,0,0|1,0,2]=4 118 B7R0.4 CN(C)CCCCN H50276 [1,0,0,0,0,0|3,0,0]=4 119 B7R0.4 CN(C)CCCCN H51139 [1,0,0,0,0,0|3,0,0]=4 120 B7R0.4 CNCCCN(C)C A17660 [1,0,0,0,0,0|3,0,0]=4 121 B7R0.4 COCCOC(=O)Cl H25937 [1,0,0,0,0,0|3,0,0]=4 122 B7R0.4 C\C=C\CCC(=O)O L02724 [1,0,0,0,0,0|1,0,2]=4 123 B7R0.4 C\C=C\COC(=O)C L09734 [1,0,0,0,0,0|1,0,2]=4 124 B9R0.1 CCC(CC#CC(=C)C)O B20682 [0,1,0,0,0,0|1,0,2]=4 125 B9R0.1 COC(=O)CCCC(=O)Cl B25141 [0,1,0,0,0,0|2,0,1]=4 126 B9R0.1 COC(=O)CCCC(=O)O L09196 [0,1,0,0,0,0|2,0,1]=4 127 B9R0.2 C(CCCN)CCC(=O)O H27519 [0,1,0,0,0,0|1,0,0]=2 128 B9R0.2 CC(=O)OCCCCC=C H53445 [0,1,0,0,0,0|0,0,2]=3 129 B9R0.2 CC(=O)OCCCCCBr A15549 [0,1,0,0,0,0|1,0,0]=2 130 B9R0.2 CC(=O)OCCCCCCl A11111 [0,1,0,0,0,0|1,0,0]=2 131 B9R0.2 CCCCCC#CC(=O)O B21957 [0,1,0,0,0,0|1,0,1]=3 132 B9R0.2 CCCCCCCC(=O)C A11781 [0,1,0,0,0,0|0,0,0]=1 133 B9R0.2 CCCCCCCC(=O)Cl L03526 [0,1,0,0,0,0|1,0,0]=2 134 B9R0.2 CCCCCCCC(=O)O A11149 [0,1,0,0,0,0|1,0,0]=2 135 B9R0.2 CCCCCCCC(=O)[O-] 39371 [0,1,0,0,0,0|1,0,0]=2 136 B9R0.2 CCCCCCCC(=O)[O-] 39479 [0,1,0,0,0,0|1,0,0]=2 137 B9R0.2 CCCCCCCC(=O)[O-] 39825 [0,1,0,0,0,0|1,0,0]=2 138 B9R0.2 CCCCCCCC(=O)[O-] A13451 [0,1,0,0,0,0|1,0,0]=2 139 B9R0.2 CCCCCCCC(C)Br L07387 [0,1,0,0,0,0|1,0,1]=3 140 B9R0.2 CCCCCCCC(C)C B20849 [0,1,0,0,0,0|1,0,1]=3 141 B9R0.2 CCCCCCCC(C)O L06310 [0,1,0,0,0,0|0,0,2]=3 142 B9R0.2 CCCCCCC[C@@H](C)N L19310 [0,1,0,0,0,0|1,0,1]=3 143 B9R0.2 CCCCCCC[C@H](C)N L19311 [0,1,0,0,0,0|1,0,1]=3 144 B9R0.2 CCCCCCNC(=S)N B21686 [0,1,0,0,0,0|1,1,0]=3 145 B9R0.2 CCCCCCOC(=O)C L06342 [0,1,0,0,0,0|0,0,0]=1 146 B9R0.2 CCCCC\C=C\C(=O)C A19084 [0,1,0,0,0,0|0,0,1]=2 147 B9R0.2 CCCCC\C=C\C(=O)O L02058 [0,1,0,0,0,0|1,0,1]=3 148 B9R0.2 CCC\C=C\COC(=O)C A18786 [0,1,0,0,0,0|0,0,2]=3 149 B9R0.2 CC\C=C/CCOC(=O)C A19380 [0,1,0,0,0,0|0,0,2]=3 150 B9R0.4 CCCCC(=O)CC(=O)C A10161 [0,1,0,0,0,0|0,0,1]=2 151 B9R0.4 CCCCC(=O)CC(C)C A19952 [0,1,0,0,0,0|1,0,2]=4 152 B9R0.38 CCCCCCP(=O)(O)O 44121 [0,1,0,0,0,0|2,0,0]=3 153 B9R0.38 CCCCCCS(=O)(=O)[O-] 32190 [0,1,0,0,0,0|2,0,0]=3 154 B9R0.38 CCCCCCS(=O)(=O)[O-] A13278 [0,1,0,0,0,0|2,0,0]=3 155 B9R0.38 CCCCCC[N+](C)(C)C L08594 [0,1,0,0,0,0|2,0,0]=3 156 B9R0.38 CCCCCC[Si](C)(C)Cl A19140 [0,1,0,0,0,0|1,1,0]=3 157 B9R0.38 CCCCCOS(=O)(=O)[O-] B22427 [0,1,0,0,0,0|3,0,0]=4 158 B9R0.46 C=CC(=O)OCCCCO L11097 [0,1,0,0,0,0|2,0,1]=4 159 B9R0.46 CCCCCCC(=O)CC A19878 [0,1,0,0,0,0|0,0,0]=1 160 B9R0.46 CCCCCCC(C=C)O L06889 [0,1,0,0,0,0|0,0,3]=4 161 B9R0.46 CCCCCCC(CC)O A19120 [0,1,0,0,0,0|0,0,2]=3 162 B9R0.46 CCCCCCC(CO)O L08031 [0,1,0,0,0,0|0,0,2]=3 163 B9R0.46 CSCCCOC(=O)CS H33285 [0,1,0,0,0,0|2,0,0]=3 164 B9R0.47 C(CCN)CC(C(=O)O)N A11066 [0,1,0,0,0,0|2,0,0]=3 165 B9R0.47 C(CCN)CC(C(=O)O)N L07576 [0,1,0,0,0,0|2,0,0]=3 166 B9R0.47 C(CCN)C[C@@H](C(=O)N)N H65741 [0,1,0,0,0,0|2,0,0]=3 167 B9R0.47 C(CCN)C[C@@H](C(=O)O)N A13040 [0,1,0,0,0,0|2,0,0]=3 168 B9R0.47 C(CCN)C[C@@H](C(=O)O)N A16127 [0,1,0,0,0,0|2,0,0]=3 169 B9R0.47 C(CCN)C[C@@H](C(=O)O)N A16249 [0,1,0,0,0,0|2,0,0]=3 170 B9R0.47 C(CCN)C[C@H](C(=O)O)N L07710 [0,1,0,0,0,0|2,0,0]=3 171 B9R0.47 CCCCCC(=O)N(C)C B24562 [0,1,0,0,0,0|2,0,1]=4 172 B9R0.47 CCCCCC(C)C(=O)O B22050 [0,1,0,0,0,0|1,0,0]=2 173 B9R0.47 CCCCOC(=O)C(=C)C A19068 [0,1,0,0,0,0|2,0,1]=4 174 B9R0.47 CCOOC[C@@H](C(=O)O)N H52790 [0,1,0,0,0,0|3,0,0]=4 175 B9R0.47 CCSCCC(C(=O)O)N A13154 [0,1,0,0,0,0|2,0,0]=3 176 B9R0.48 CCCC(C)CCC(=O)C B25160 [0,1,0,0,0,0|0,0,0]=1 177 B9R0.48 CCOC(=O)CCC(=O)C A15001 [0,1,0,0,0,0|1,0,1]=3 178 B9R0.48 CCOC(=O)CCC(=O)C B20149 [0,1,0,0,0,0|1,0,1]=3 179 B9R0.48 CCOC(=O)CCC(=O)O H55116 [0,1,0,0,0,0|2,0,1]=4 180 B9R0.55 C(CCC(=O)Cl)CC(=O)Cl A13168 [0,1,0,0,0,0|2,0,1]=4 181 B9R0.55 C(CCC(=O)N)CC(=O)N B24252 [0,1,0,0,0,0|2,0,1]=4 182 B9R0.55 C(CCC(=O)O)CC(=O)O A13705 [0,1,0,0,0,0|2,0,1]=4 183 B9R0.55 CC(=O)CCCCC(=O)O A14810 [0,1,0,0,0,0|1,0,1]=3 184 B9R0.55 CC(=O)NCCCC(=O)O A11039 [0,1,0,0,0,0|2,0,1]=4 185 B9R0.55 CC(=O)NCCNC(=O)C A11866 [0,1,0,0,0,0|2,0,1]=4 186 B9R0.55 CC(=O)OCCOC(=O)C 41910 [0,1,0,0,0,0|2,0,1]=4 187 B9R0.55 CC(C)CCCCC(=O)O H30392 [0,1,0,0,0,0|1,0,0]=2 188 B9R0.55 CC(C)CCCCC(C)C B21646 [0,1,0,0,0,0|1,0,1]=3 189 B9R1.2 CN1CCCC(C1)CO B25197 [0,0,0,1,0,0|3,0,0]=4 190 B9R1.6 C1CC(CC=C1)C(=O)Cl H50390 [0,0,0,1,0,0|1,0,2]=4 191 B9R1.6 C1CC(CC=C1)C(=O)O A15229 [0,0,0,1,0,0|1,0,2]=4 192 B9R1.6 C1CC(CNC1)C(=O)O B24723 [0,0,0,1,0,0|2,0,0]=3 193 B9R1.6 C1CCC(=CC1)C(=O)O A10741 [0,0,0,1,0,0|1,0,2]=4 194 B9R1.6 C1CCC(CC1)C(=O)Cl A19824 [0,0,0,1,0,0|1,0,0]=2 195 B9R1.6 C1CCC(CC1)C(=O)O A14693 [0,0,0,1,0,0|1,0,0]=2 196 B9R1.6 C1CCN(CC1)C(=S)N L12445 [0,0,0,1,0,0|2,1,0]=4 197 B9R1.6 C1CCNC(C1)C(=O)O B23541 [0,0,0,1,0,0|2,0,0]=3 198 B9R1.6 C1CCN[C@@H](C1)C(=O)O L15373 [0,0,0,1,0,0|2,0,0]=3 199 B9R1.6 C1CCN[C@H](C1)C(=O)O H63255 [0,0,0,1,0,0|2,0,0]=3 200 B9R1.6 C1CNC(CN1)C(=O)O H27101 [0,0,0,1,0,0|3,0,0]=4 201 B9R1.6 C1CNC(CN1)C(=O)O H27344 [0,0,0,1,0,0|3,0,0]=4 202 B9R1.6 C1CNCCC1C(=O)N A13442 [0,0,0,1,0,0|2,0,0]=3 203 B9R1.6 C1CNCCC1C(=O)O A11795 [0,0,0,1,0,0|2,0,0]=3 204 B9R1.6 C1CNCCC1C(=S)N H58601 [0,0,0,1,0,0|2,1,0]=4 205 B9R1.6 C1CN[C@@H](CN1)C(=O)O H28972 [0,0,0,1,0,0|3,0,0]=4 206 B9R1.6 C1CN[C@H](CN1)C(=O)O H26898 [0,0,0,1,0,0|3,0,0]=4 207 B9R1.6 C1COCC(N1)C(=O)O H64336 [0,0,0,1,0,0|3,0,0]=4 208 B9R1.6 C1COCCC1C(=O)O H64340 [0,0,0,1,0,0|2,0,0]=3 209 B9R1.6 C1COC[C@@H](N1)C(=O)O H64189 [0,0,0,1,0,0|3,0,0]=4 210 B9R1.6 C1C[C@@H](CNC1)C(=O)O H57543 [0,0,0,1,0,0|2,0,0]=3 211 B9R1.6 C1C[C@H](CNC1)C(=O)O H57434 [0,0,0,1,0,0|2,0,0]=3 212 B9R1.6 CC(=O)C1CCCCC1 B21000 [0,0,0,1,0,0|0,0,0]=1 213 B9R1.6 CC(=O)C1CCOCC1 H64522 [0,0,0,1,0,0|1,0,0]=2 214 B9R1.6 CC(=O)N1CCNCC1 B20200 [0,0,0,1,0,0|2,0,0]=3 215 B9R1.6 CC(=O)N1CCOCC1 B24120 [0,0,0,1,0,0|2,0,0]=3 216 B9R1.6 CC(C1CCCCC1)O B20363 [0,0,0,1,0,0|0,0,2]=3 217 B9R1.6 CN(C)C1CCCCC1 L14521 [0,0,0,1,0,0|2,0,0]=3 218 B9R1.6 CN(C)C1CCNCC1 L20176 [0,0,0,1,0,0|3,0,0]=4 219 B9R1.6 C[C@@H](C1CCCCC1)N L19066 [0,0,0,1,0,0|1,0,1]=3 220 B9R1.6 C[C@H](C1CCCCC1)N L19051 [0,0,0,1,0,0|1,0,1]=3 221 B9R1.7 CCCC1=NNC(=O)C1 B25214 [0,0,0,1,0,0|2,0,1]=4 222 B9R1.13 C1CC(C=C1)CC(=O)O H27507 [0,0,0,1,0,0|1,0,2]=4 223 B9R1.13 C1CC(NC1)CC(=O)O H31749 [0,0,0,1,0,0|2,0,0]=3 224 B9R1.13 C1CCC(C1)CC(=O)Cl L14562 [0,0,0,1,0,0|1,0,0]=2 225 B9R1.13 C1CCC(C1)CC(=O)O A15696 [0,0,0,1,0,0|1,0,0]=2 226 B9R1.13 C1C[C@@H](NC1)CC(=O)O H52085 [0,0,0,1,0,0|2,0,0]=3 227 B9R1.13 C1C[C@H](NC1)CC(=O)O H65110 [0,0,0,1,0,0|2,0,0]=3 228 B9R1.13 CC(=C)CC1CCCC1 B20662 [0,0,0,1,0,0|1,0,0]=2 229 B9R1.13 CC(=O)N[C@@H]1CCNC1 L12567 [0,0,0,1,0,0|2,0,0]=3 230 B9R1.13 CC(=O)N[C@H]1CCNC1 L12927 [0,0,0,1,0,0|2,0,0]=3 231 B9R1.41 CC(=O)C1CCOC1=O B22967 [0,0,0,1,0,0|2,0,1]=4 232 B9R1.41 CN1CCC[C@H]1C(=O)O H63241 [0,0,0,1,0,0|2,0,0]=3 233 B9R1.48 C1CCC(=O)CC(=O)C1 H54588 [0,0,0,1,0,0|1,0,1]=3 234 B9R1.50 C1CCCC(=O)CCC1 B20911 [0,0,0,1,0,0|0,0,0]=1 235 B9R1.50 C1CCCC(CCC1)Br B24839 [0,0,0,1,0,0|1,0,1]=3 236 B9R1.50 C1CCCC(CCC1)N L00981 [0,0,0,1,0,0|1,0,1]=3 237 B9R1.50 C1CCCC(CCC1)O A17825 [0,0,0,1,0,0|0,0,2]=3 238 B9R1.83 CCCCCCC1CO1 B21463 [0,0,0,1,0,0|0,0,2]=3 239 B9R1.83 CCCCOCC1CO1 L16201 [0,0,0,1,0,0|1,0,2]=4 240 B9R1.148 CC1(CCCCCC1)O B20393 [0,0,0,1,0,0|0,0,2]=3 241 B6R0.6 C(CC=O)CC=O A10500 [2,0,0,0,0,0|1,0,1]=4 242 B6R0.6 C(CC=O)CC=O A17876 [2,0,0,0,0,0|1,0,1]=4 243 B6R0.6 C(CCBr)CCBr A18465 [2,0,0,0,0,0|2,0,0]=4 244 B6R0.6 C(CCCl)CCBr B20479 [2,0,0,0,0,0|2,0,0]=4 245 B6R0.6 C(CCCl)CCCl A12433 [2,0,0,0,0,0|2,0,0]=4 246 B6R0.6 C(CCCl)CCI L04469 [2,0,0,0,0,0|2,0,0]=4 247 B6R0.6 C(CCCl)CC[Zn+] H58957 [2,0,0,0,0,0|2,0,0]=4 248 B6R0.6 C(CCF)CCBr H64806 [2,0,0,0,0,0|2,0,0]=4 249 B6R0.6 C(CCI)CCI A17298 [2,0,0,0,0,0|2,0,0]=4 250 B6R0.6 C(CCN)CCN B23039 [2,0,0,0,0,0|2,0,0]=4 251 B6R0.6 C(CCN)CCO H33954 [2,0,0,0,0,0|1,0,1]=4 252 B6R0.6 C(CCN)CCO L01979 [2,0,0,0,0,0|1,0,1]=4 253 B6R0.6 C(CCO)CCCl L12088 [2,0,0,0,0,0|1,0,1]=4 254 B6R0.6 C(CCO)CCO A13998 [2,0,0,0,0,0|1,0,1]=4 255 B6R0.6 C(CCS)CCS B25665 [2,0,0,0,0,0|1,1,0]=4 256 B6R0.6 C=CCCCCBr L12909 [2,0,0,0,0,0|1,0,1]=4 257 B6R0.6 C=CCCCCCl H53396 [2,0,0,0,0,0|1,0,1]=4 258 B6R0.6 C=CCCCCO A15766 [2,0,0,0,0,0|1,0,1]=4 259 B6R0.6 C=CCCCC[Zn+] H58622 [2,0,0,0,0,0|1,0,1]=4 260 B6R0.6 CCCC#CCC H53504 [2,0,0,0,0,0|0,0,2]=4 261 B6R0.6 CCCCC#CC B21528 [2,0,0,0,0,0|0,0,2]=4 262 B6R0.6 CCCCCC#C A11130 [2,0,0,0,0,0|0,0,2]=4 263 B6R0.6 CCCCCC=C L11487 [2,0,0,0,0,0|0,0,1]=3 264 B6R0.6 CCCCCC=O A16265 [2,0,0,0,0,0|0,0,0]=2 265 B6R0.6 CCCCCCBr A15166 [2,0,0,0,0,0|1,0,0]=3 266 B6R0.6 CCCCCCC 22911 [2,0,0,0,0,0|0,0,0]=2 267 B6R0.6 CCCCCCC 32441 [2,0,0,0,0,0|0,0,0]=2 268 B6R0.6 CCCCCCC 40978 [2,0,0,0,0,0|0,0,0]=2 269 B6R0.6 CCCCCCC 44457 [2,0,0,0,0,0|0,0,0]=2 270 B6R0.6 CCCCCCC 47191 [2,0,0,0,0,0|0,0,0]=2 271 B6R0.6 CCCCCCC A19894 [2,0,0,0,0,0|0,0,0]=2 272 B6R0.6 CCCCCCC H33987 [2,0,0,0,0,0|0,0,0]=2 273 B6R0.6 CCCCCCCl B22379 [2,0,0,0,0,0|1,0,0]=3 274 B6R0.6 CCCCCCI A13784 [2,0,0,0,0,0|1,0,0]=3 275 B6R0.6 CCCCCCN A15663 [2,0,0,0,0,0|1,0,0]=3 276 B6R0.6 CCCCCCO A18232 [2,0,0,0,0,0|0,0,1]=3 277 B6R0.6 CCCCCCS L09659 [2,0,0,0,0,0|0,1,0]=3 278 B6R0.6 CCCCCC[Mg+] H51167 [2,0,0,0,0,0|1,0,0]=3 279 B6R0.6 CCCCCC[Zn+] H58384 [2,0,0,0,0,0|1,0,0]=3 280 B6R0.6 CCCCCNC L04882 [2,0,0,0,0,0|1,0,0]=3 281 B6R0.6 CCCCN=C=O L05664 [2,0,0,0,0,0|1,0,1]=4 282 B6R0.6 CCCCNCC B22881 [2,0,0,0,0,0|1,0,0]=3 283 B6R0.6 CCCCOC=C B23673 [2,0,0,0,0,0|1,0,1]=4 284 B6R0.6 CCCCOC=O A13882 [2,0,0,0,0,0|1,0,0]=3 285 B6R0.6 CCCCOCC A17963 [2,0,0,0,0,0|1,0,0]=3 286 B6R0.6 CCCCON=O H56501 [2,0,0,0,0,0|2,0,0]=4 287 B6R0.6 CCCNCCC L15808 [2,0,0,0,0,0|1,0,0]=3 288 B6R0.6 CCCNCCN L03517 [2,0,0,0,0,0|2,0,0]=4 289 B6R0.6 CCCOCCC B21423 [2,0,0,0,0,0|1,0,0]=3 290 B6R0.6 CCCSCCC B23155 [2,0,0,0,0,0|1,0,0]=3 291 B6R0.6 CCCSCCO L12528 [2,0,0,0,0,0|1,0,1]=4 292 B6R0.6 CCC\C=C\C=O A11513 [2,0,0,0,0,0|0,0,2]=4 293 B6R0.6 CCC\C=C\CC B25297 [2,0,0,0,0,0|0,0,2]=4 294 B6R0.6 CCC\C=C\CC H53482 [2,0,0,0,0,0|0,0,2]=4 295 B6R0.6 CCOCCCN B23694 [2,0,0,0,0,0|2,0,0]=4 296 B6R0.6 CCOCCOC B20819 [2,0,0,0,0,0|2,0,0]=4 297 B6R0.6 CCOCOCC B23134 [2,0,0,0,0,0|2,0,0]=4 298 B6R0.6 CCSCCCO B22710 [2,0,0,0,0,0|1,0,1]=4 299 B6R0.6 CNCCCNC A16901 [2,0,0,0,0,0|2,0,0]=4 300 B6R0.6 COCCCCO H50339 [2,0,0,0,0,0|1,0,1]=4 301 B6R0.6 CSCCCCO B22673 [2,0,0,0,0,0|1,0,1]=4 302 B6R0.6 CSCCCSC B22397 [2,0,0,0,0,0|2,0,0]=4 303 B6R0.6 C\C=C/CCCO A19266 [2,0,0,0,0,0|1,0,1]=4 304 B6R0.6 C\C=C\CCCO H54459 [2,0,0,0,0,0|1,0,1]=4 305 B6R0.6 [Li]CCCCCC 47271 [2,0,0,0,0,0|1,0,0]=3 306 B6R0.6 [Li]CCCCCC L15102 [2,0,0,0,0,0|1,0,0]=3 307 B6R0.4 C(CC(=O)Cl)CBr A12094 [2,0,0,0,0,0|2,0,0]=4 308 B6R0.4 C(CC(=O)Cl)CCl A12249 [2,0,0,0,0,0|2,0,0]=4 309 B6R0.4 C(CC(=O)O)CBr A12870 [2,0,0,0,0,0|2,0,0]=4 310 B6R0.4 C(CC(=O)O)CN A11016 [2,0,0,0,0,0|2,0,0]=4 311 B6R0.4 CC(=O)CCC=C B22505 [2,0,0,0,0,0|0,0,2]=4 312 B6R0.4 CC(=O)CCCCl A10269 [2,0,0,0,0,0|1,0,0]=3 313 B6R0.4 CC(=O)CCSC B22206 [2,0,0,0,0,0|1,0,0]=3 314 B6R0.4 CC(=O)NCCCl A11802 [2,0,0,0,0,0|2,0,0]=4 315 B6R0.4 CC(=O)NCCN L13398 [2,0,0,0,0,0|2,0,0]=4 316 B6R0.4 CC(=O)NCCO A18638 [2,0,0,0,0,0|2,0,0]=4 317 B6R0.4 CC(=O)OCSC H32310 [2,0,0,0,0,0|2,0,0]=4 318 B6R0.4 CCC#CC(=O)C L05315 [2,0,0,0,0,0|0,0,2]=4 319 B6R0.4 CCCCC(=O)C A14867 [2,0,0,0,0,0|0,0,0]=2 320 B6R0.4 CCCCC(=O)Cl B22637 [2,0,0,0,0,0|1,0,0]=3 321 B6R0.4 CCCCC(=O)N L14601 [2,0,0,0,0,0|1,0,0]=3 322 B6R0.4 CCCCC(=O)O A16238 [2,0,0,0,0,0|1,0,0]=3 323 B6R0.4 CCCCC(C)Br L03364 [2,0,0,0,0,0|1,0,1]=4 324 B6R0.4 CCCCC(C)O L05993 [2,0,0,0,0,0|0,0,2]=4 325 B6R0.4 CCCCC(C)[Zn+] H58543 [2,0,0,0,0,0|1,0,1]=4 326 B6R0.4 CCCC[C@@H](C)N L19304 [2,0,0,0,0,0|1,0,1]=4 327 B6R0.4 CCCC[C@H](C)N L19305 [2,0,0,0,0,0|1,0,1]=4 328 B6R0.4 CCCC[C@H](C)O L10401 [2,0,0,0,0,0|0,0,2]=4 329 B6R0.4 CCCC[Sn](=O)O A18290 [2,0,0,0,0,0|2,0,0]=4 330 B6R0.4 CCCNC(=O)N A10160 [2,0,0,0,0,0|2,0,0]=4 331 B6R0.4 CCCOC(=O)C L15355 [2,0,0,0,0,0|1,0,0]=3 332 B6R0.4 CCCSC(=O)C B21875 [2,0,0,0,0,0|1,0,0]=3 333 B6R0.4 CCOCC(=O)Cl H34443 [2,0,0,0,0,0|2,0,0]=4 334 B6R0.4 CCOCC(=O)O B24194 [2,0,0,0,0,0|2,0,0]=4 335 B6R0.4 CCSCC(=O)C L04142 [2,0,0,0,0,0|1,0,0]=3 336 B6R0.4 CCSCC(=O)O L04743 [2,0,0,0,0,0|2,0,0]=4 337 B6R0.4 CSCCC(=O)O L12861 [2,0,0,0,0,0|2,0,0]=4 338 B8R0.1 CCCCC(=O)\C=C\C B22250 [1,1,0,0,0,0|0,0,2]=4 339 B8R0.1 CCCCC(CC=C)O B20707 [1,1,0,0,0,0|0,0,1]=3 340 B8R0.1 CCCC[C@@H](C)N=C=O L20234 [1,1,0,0,0,0|1,0,1]=4 341 B8R0.1 CCCC[C@H](C)N=C=O L20235 [1,1,0,0,0,0|1,0,1]=4 342 B8R0.4 C(CCCBr)CCC#N L05068 [1,1,0,0,0,0|1,0,1]=4 343 B8R0.4 C(CCCCl)CCC#N L03997 [1,1,0,0,0,0|1,0,1]=4 344 B8R0.4 C(CCCN)CCCN L02853 [1,1,0,0,0,0|1,0,1]=4 345 B8R0.4 C(CCCO)CCCBr H54762 [1,1,0,0,0,0|0,0,2]=4 346 B8R0.4 C(CCCO)CCCO L06384 [1,1,0,0,0,0|0,0,2]=4 347 B8R0.4 C(CCC[Zn+])CCC#N H58022 [1,1,0,0,0,0|1,0,1]=4 348 B8R0.4 C=CCCCCCC=C H53502 [1,1,0,0,0,0|0,0,2]=4 349 B8R0.4 C=CCCCCCCBr H64830 [1,1,0,0,0,0|0,0,1]=3 350 B8R0.4 CCCCC#CCCC B21349 [1,1,0,0,0,0|0,0,2]=4 351 B8R0.4 CCCCCC#CCCl H53452 [1,1,0,0,0,0|0,0,2]=4 352 B8R0.4 CCCCCC#CCO L05596 [1,1,0,0,0,0|0,0,2]=4 353 B8R0.4 CCCCCCC#CC B23620 [1,1,0,0,0,0|0,0,1]=3 354 B8R0.4 CCCCCCCC#C B24263 [1,1,0,0,0,0|0,0,2]=4 355 B8R0.4 CCCCCCCC#N B23338 [1,1,0,0,0,0|0,0,2]=4 356 B8R0.4 CCCCCCCC=O A10901 [1,1,0,0,0,0|0,0,0]=2 357 B8R0.4 CCCCCCCCBr A14722 [1,1,0,0,0,0|0,0,1]=3 358 B8R0.4 CCCCCCCCC A16177 [1,1,0,0,0,0|0,0,1]=3 359 B8R0.4 CCCCCCCCCl L04358 [1,1,0,0,0,0|0,0,1]=3 360 B8R0.4 CCCCCCCCI B22214 [1,1,0,0,0,0|0,0,1]=3 361 B8R0.4 CCCCCCCCN B24193 [1,1,0,0,0,0|0,0,1]=3 362 B8R0.4 CCCCCCCCO A15977 [1,1,0,0,0,0|0,0,1]=3 363 B8R0.4 CCCCCCCCO H36188 [1,1,0,0,0,0|0,0,1]=3 364 B8R0.4 CCCCCCCCS L07195 [1,1,0,0,0,0|0,0,1]=3 365 B8R0.4 CCCCCCCC[Mg+] H51174 [1,1,0,0,0,0|0,0,1]=3 366 B8R0.4 CCCCCCCC[O-] H37523 [1,1,0,0,0,0|0,0,1]=3 367 B8R0.4 CCCCCCCC[Zn+] H58444 [1,1,0,0,0,0|0,0,1]=3 368 B8R0.4 CCCCCCCNC H65794 [1,1,0,0,0,0|0,0,1]=3 369 B8R0.4 CCCCCCN=C=S A12223 [1,1,0,0,0,0|0,1,1]=4 370 B8R0.4 CCCCCCOC=O L06226 [1,1,0,0,0,0|0,0,0]=2 371 B8R0.4 CCCCCSCCO B22772 [1,1,0,0,0,0|0,0,2]=4 372 B8R0.4 CCCCC\C=C\C=O A18830 [1,1,0,0,0,0|0,0,1]=3 373 B8R0.4 CCCCC\C=C\CO A15960 [1,1,0,0,0,0|0,0,1]=3 374 B8R0.4 CCCCNCCCC A11671 [1,1,0,0,0,0|0,0,1]=3 375 B8R0.4 CCCCOCCC#N L11342 [1,1,0,0,0,0|1,0,1]=4 376 B8R0.4 CCCCOCCCC A16305 [1,1,0,0,0,0|0,0,1]=3 377 B8R0.4 CCCCSCCCC L07599 [1,1,0,0,0,0|0,0,1]=3 378 B8R0.4 CCCC[N-]CCCC L08269 [1,1,0,0,0,0|0,0,1]=3 379 B8R0.4 CCCC[NH2+]CCCC B20251 [1,1,0,0,0,0|0,0,1]=3 380 B8R0.4 CCCC[Sn+2]CCCC 14116 [1,1,0,0,0,0|0,0,1]=3 381 B8R0.4 CCCC[Sn+2]CCCC 14117 [1,1,0,0,0,0|0,0,1]=3 382 B8R0.4 CCCC[Sn+2]CCCC 18595 [1,1,0,0,0,0|0,0,1]=3 383 B8R0.4 CCCC[Sn+2]CCCC 39618 [1,1,0,0,0,0|0,0,1]=3 384 B8R0.4 CCCC[Sn+2]CCCC B23921 [1,1,0,0,0,0|0,0,1]=3 385 B8R0.4 CCCC[Sn+2]CCCC L14491 [1,1,0,0,0,0|0,0,1]=3 386 B8R0.4 CC\C=C/CCCCO A19454 [1,1,0,0,0,0|1,0,1]=4 387 B8R0.4 COCCOCCOC A13397 [1,1,0,0,0,0|2,0,0]=4 388 B8R0.6 CCCCCC(=O)C=C L07189 [1,1,0,0,0,0|0,0,2]=4 389 B8R0.6 CCCCCC(=O)CC A12113 [1,1,0,0,0,0|0,0,2]=4 390 B8R0.6 CCCCCC(=O)OC A10757 [1,1,0,0,0,0|1,0,1]=4 391 B8R0.6 CCCCCC(C#C)O A13267 [1,1,0,0,0,0|0,0,2]=4 392 B8R0.6 CCCCCC(C=C)O A12079 [1,1,0,0,0,0|0,0,1]=3 393 B8R0.6 CCCCCC(CC)O A14488 [1,1,0,0,0,0|0,0,1]=3 394 B8R0.6 CCCCC[C@@H](C#C)O L19046 [1,1,0,0,0,0|0,0,2]=4 395 B8R0.6 CCCCC[C@H](C#C)O L19045 [1,1,0,0,0,0|0,0,2]=4 396 B8R0.6 CCCCC[C@H](CC)O H66963 [1,1,0,0,0,0|0,0,1]=3 397 B8R0.5 CC(COC)OC(=O)C L15459 [1,1,0,0,0,0|2,0,0]=4 398 B8R0.5 CCOC(=O)CC(=O)C A12544 [1,1,0,0,0,0|1,0,1]=4 399 B8R0.8 C(CC(C(=O)O)N)CN A18173 [1,1,0,0,0,0|2,0,0]=4 400 B8R0.8 C(C[C@@H](C(=O)O)N)CN A12111 [1,1,0,0,0,0|2,0,0]=4 401 B8R0.8 C(C[C@H](C(=O)O)N)CN L00793 [1,1,0,0,0,0|2,0,0]=4 402 B8R0.8 CCCCC(=O)C(=O)C A19136 [1,1,0,0,0,0|0,0,1]=3 403 B8R0.8 CCCCC(C(=O)O)Br B24228 [1,1,0,0,0,0|1,0,0]=3 404 B8R0.8 CCCCC(C(=O)O)N A10791 [1,1,0,0,0,0|1,0,0]=3 405 B8R0.8 CCCCC(C(C)C)O L03492 [1,1,0,0,0,0|1,0,1]=4 406 B8R0.8 CCCCC(C)C(=O)Cl H32829 [1,1,0,0,0,0|1,0,0]=3 407 B8R0.8 CCCCC(C)C(=O)O A11290 [1,1,0,0,0,0|1,0,0]=3 408 B8R0.8 CCCC[C@@H](C(=O)O)N L03913 [1,1,0,0,0,0|1,0,0]=3 409 B8R0.8 CCCC[C@H](C(=O)O)N L08257 [1,1,0,0,0,0|1,0,0]=3 410 B8R0.8 CSCCC(C(=O)O)N A11457 [1,1,0,0,0,0|2,0,0]=4 411 B8R0.8 CSCC[C@@H](C(=O)O)N A10318 [1,1,0,0,0,0|2,0,0]=4 412 B8R0.8 CSCC[C@@H](C(=O)O)N B21342 [1,1,0,0,0,0|2,0,0]=4 413 B8R0.8 CSCC[C@H](C(=O)O)N B21213 [1,1,0,0,0,0|2,0,0]=4 414 B8R0.9 CC(=O)CCC(=O)OC 43397 [1,1,0,0,0,0|1,0,1]=4 415 B8R0.9 CC(=O)OCC(CO)O A14025 [1,1,0,0,0,0|2,0,0]=4 416 B8R0.21 CCCCCS(=O)(=O)[O-] 15714 [1,1,0,0,0,0|2,0,0]=4 417 B8R0.21 CCCCCS(=O)(=O)[O-] B20699 [1,1,0,0,0,0|2,0,0]=4 418 B8R0.28 CC(=CCCC(=O)C)C A13335 [1,1,0,0,0,0|0,0,2]=4 419 B8R0.28 CC(=O)CCCC(=O)O L03978 [1,1,0,0,0,0|1,0,1]=4 420 B8R0.28 CC(C)CCCC(=O)O A19012 [1,1,0,0,0,0|1,0,0]=3 421 B8R0.28 CC(C)CCCC(C)N A12017 [1,1,0,0,0,0|1,0,1]=4 422 B8R0.28 CC(C)CCOC(=O)C B21618 [1,1,0,0,0,0|1,0,0]=3 423 B8R0.28 CC(CCC=C(C)C)O L09181 [1,1,0,0,0,0|1,0,1]=4 424 B8R0.28 CN(C)CCCC(=O)O A16610 [1,1,0,0,0,0|2,0,0]=4 425 B8R0.28 C[C@@H](CCC=C(C)C)O L18884 [1,1,0,0,0,0|1,0,1]=4 426 B8R0.28 C[C@H](CCC=C(C)C)O L18883 [1,1,0,0,0,0|1,0,1]=4 427 B10R0.3 CC(CCC=C(C)C)CCO A19016 [0,2,0,0,0,0|1,0,1]=4 428 B10R0.3 CCOC(=O)CCCC(=O)C L17848 [0,2,0,0,0,0|0,0,1]=3 429 B10R0.3 CCOC(=O)CCCC(=O)O L03941 [0,2,0,0,0,0|1,0,1]=4 430 B10R0.3 C[C@@H](CCC=C(C)C)CCO H60174 [0,2,0,0,0,0|1,0,1]=4 431 B10R0.59 COC(=O)CCCC(=O)OC B24359 [0,2,0,0,0,0|1,0,1]=4 432 B10R0.4 C(CCCC(=O)O)CCCBr B25575 [0,2,0,0,0,0|1,0,0]=3 433 B10R0.4 C(CCCC(=O)O)CCCN A17353 [0,2,0,0,0,0|1,0,0]=3 434 B10R0.4 CCCCCCCCC(=O)C A14145 [0,2,0,0,0,0|0,0,0]=2 435 B10R0.4 CCCCCCCCC(=O)Cl A17671 [0,2,0,0,0,0|1,0,0]=3 436 B10R0.4 CCCCCCCCC(=O)O B21568 [0,2,0,0,0,0|1,0,0]=3 437 B10R0.4 CCCCCCCCC(C)O L05688 [0,2,0,0,0,0|0,0,2]=4 438 B10R0.4 CCCCCCCCN(C)C A12546 [0,2,0,0,0,0|2,0,0]=4 439 B10R0.4 CCCCCC\C=C\C(=O)C A19256 [0,2,0,0,0,0|0,0,0]=2 440 B10R0.4 CCCCCC\C=C\C(=O)O A13228 [0,2,0,0,0,0|1,0,0]=3 441 B10R0.4 CCCCOCCOC(=O)C L09515 [0,2,0,0,0,0|0,0,0]=2 442 B10R0.6 CC(=O)CC(=O)OCCOC L10622 [0,2,0,0,0,0|1,0,1]=4 443 B10R0.6 CCCCCC(=O)CC(=O)C L01151 [0,2,0,0,0,0|0,0,0]=2 444 B10R0.22 CCCCCCCC(C)(C)Cl 43784 [0,2,0,0,0,0|1,0,1]=4 445 B10R0.22 CCCCCCCS(=O)(=O)[O-] 15214 [0,2,0,0,0,0|2,0,0]=4 446 B10R0.22 CCCCCCCS(=O)(=O)[O-] A10917 [0,2,0,0,0,0|2,0,0]=4 447 B10R0.55 COC(=O)CCCCC(=O)Cl L04377 [0,2,0,0,0,0|1,0,1]=4 448 B10R0.55 COC(=O)CCCCC(=O)O L09061 [0,2,0,0,0,0|1,0,1]=4 449 B10R0.74 CCCCCC#CC(=O)OC B21242 [0,2,0,0,0,0|0,0,1]=3 450 B10R0.74 CCCCCCCC(=O)CC B20909 [0,2,0,0,0,0|0,0,0]=2 451 B10R0.74 CCCCCCCC(=O)OC A10991 [0,2,0,0,0,0|0,0,0]=2 452 B10R0.74 CCCCCCCC(CC)O B24141 [0,2,0,0,0,0|0,0,2]=4 453 B10R0.74 CCCCCCOC(=O)C=C L09905 [0,2,0,0,0,0|0,0,1]=3 454 B10R0.74 CCCCC\C=C\C(=O)OC A19612 [0,2,0,0,0,0|0,0,1]=3 455 B10R0.74 COC(=O)CCCCCCBr H27234 [0,2,0,0,0,0|0,0,0]=2 456 B10R0.74 COC(=O)CCCCCCCl H27098 [0,2,0,0,0,0|0,0,0]=2 457 B10R0.75 CCCCCCC(C(=O)O)O L02314 [0,2,0,0,0,0|1,0,0]=3 458 B10R0.78 CCCCC(C)CCC(=O)O B22616 [0,2,0,0,0,0|1,0,0]=3 459 B10R0.97 C(CCC(=O)O)CCC(=O)O A18495 [0,2,0,0,0,0|1,0,1]=4 460 B10R0.97 CC(C)CCNCCC(C)C L02297 [0,2,0,0,0,0|1,0,1]=4 461 B10R0.97 CC(C)CCOCCC(C)C A11231 [0,2,0,0,0,0|1,0,1]=4 462 B10R0.97 CC(C)CCSCCC(C)C B23030 [0,2,0,0,0,0|1,0,1]=4 463 B10R0.87 CCCCC(CC)CC(C)O A19956 [0,2,0,0,0,0|0,0,2]=4 464 B10R0.5 CCCCCC(C(C)(C)C)O B20410 [0,2,0,0,0,0|1,0,1]=4 465 B10R0.62 CCCCCCC(C)(C#C)O B24106 [0,2,0,0,0,0|0,0,2]=4 466 B10R0.62 CCCCCCC(C)(CC)O B20640 [0,2,0,0,0,0|0,0,2]=4 467 B10R0.1 CCCCC#CC(=O)OCC L02749 [0,2,0,0,0,0|0,0,2]=4 468 B10R0.1 CCCCCCC(=O)OCC A14729 [0,2,0,0,0,0|0,0,0]=2 469 B10R0.1 CCCCCCC(CCC)O B20866 [0,2,0,0,0,0|0,0,2]=4 470 B10R0.1 CCCCCC[C@@H](C)N=C=O L20244 [0,2,0,0,0,0|0,0,1]=3 471 B10R0.1 CCCCCC[C@@H](C)N=C=S L19984 [0,2,0,0,0,0|0,1,1]=4 472 B10R0.1 CCCCCC[C@H](C)N=C=O L20245 [0,2,0,0,0,0|0,0,1]=3 473 B10R0.1 CCCCCC[C@H](C)N=C=S L19985 [0,2,0,0,0,0|0,1,1]=4 474 B10R0.1 CCOC(=O)CCCCCBr A18398 [0,2,0,0,0,0|1,0,0]=3 475 B10R0.1 CCOC(=O)CCCCCN H50296 [0,2,0,0,0,0|1,0,0]=3 476 B10R0.1 CCOC(=O)CCCCC[Zn+] H58304 [0,2,0,0,0,0|1,0,0]=3 477 B10R0.41 CCCCCCC(OC)OC L04335 [0,2,0,0,0,0|0,0,2]=4 478 B10R0.83 COC(=O)[C@H](CCCCN)N A18157 [0,2,0,0,0,0|1,0,0]=3 479 B10R0.105 CCCC(C)(CCC(C)C)O B20225 [0,2,0,0,0,0|1,0,1]=4 480 B8R1.2 C#CC1CCCCC1 H53418 [1,0,0,1,0,0|0,0,2]=4 481 B8R1.2 C1CC(CC=C1)C=O L04894 [1,0,0,1,0,0|0,0,2]=4 482 B8R1.2 C1CC(CNC1)CO L04264 [1,0,0,1,0,0|2,0,0]=4 483 B8R1.2 C1CCC(CC1)C=O B23837 [1,0,0,1,0,0|0,0,0]=2 484 B8R1.2 C1CCC(CC1)CBr L11343 [1,0,0,1,0,0|1,0,1]=4 485 B8R1.2 C1CCC(CC1)CN L06501 [1,0,0,1,0,0|1,0,1]=4 486 B8R1.2 C1CCC(CC1)CO L06538 [1,0,0,1,0,0|0,0,2]=4 487 B8R1.2 C1CCC(CC1)C[Zn+] H58186 [1,0,0,1,0,0|1,0,1]=4 488 B8R1.2 C1CCC(CC1)NO L03569 [1,0,0,1,0,0|1,0,1]=4 489 B8R1.2 C1CCN(CC1)C=O B23452 [1,0,0,1,0,0|1,0,0]=3 490 B8R1.2 C1CN(CCN1)C=O A14757 [1,0,0,1,0,0|2,0,0]=4 491 B8R1.2 C1COCCN1C=O B23315 [1,0,0,1,0,0|2,0,0]=4 492 B8R1.2 C=CC1CCCCC1 L10756 [1,0,0,1,0,0|0,0,1]=3 493 B8R1.2 CCN1CCCCC1 A16294 [1,0,0,1,0,0|1,0,1]=4 494 B8R1.2 CNC1CCCCC1 L13872 [1,0,0,1,0,0|1,0,0]=3 495 B8R1.2 COC1CCCNC1 H51138 [1,0,0,1,0,0|2,0,0]=4 496 B8R1.2 CSC1CCCCC1 L03712 [1,0,0,1,0,0|1,0,0]=3 497 B8R1.5 C1CCC(=O)C(=O)C1 A14401 [1,0,0,1,0,0|1,0,1]=4 498 B8R1.5 C1CCC(=O)C(C1)Cl A18613 [1,0,0,1,0,0|1,0,0]=3 499 B8R1.5 C1CCC(=O)C(C1)F H26032 [1,0,0,1,0,0|1,0,0]=3 500 B8R1.5 C1COCC(C1=O)Br H66595 [1,0,0,1,0,0|2,0,0]=4 501 B8R1.5 CC1CCCCC1=O A14741 [1,0,0,1,0,0|0,0,0]=2 502 B8R1.5 CC1CCCCC1N L02285 [1,0,0,1,0,0|1,0,1]=4 503 B8R1.5 CC1CCCCC1O A12877 [1,0,0,1,0,0|0,0,2]=4 504 B8R1.5 C[C@@H]1CCCC[C@@H]1C 31467 [1,0,0,1,0,0|0,0,1]=3 505 B8R1.8 C#CCC1CCCC1 L11514 [1,0,0,1,0,0|0,0,2]=4 506 B8R1.8 C1CCC(C1)CCO B22344 [1,0,0,1,0,0|0,0,2]=4 507 B8R1.8 C=CCC1CCCC1 B20228 [1,0,0,1,0,0|0,0,1]=3 508 B8R1.8 COC[C@@H]1CCCN1 L09608 [1,0,0,1,0,0|2,0,0]=4 509 B8R1.8 COC[C@H]1CCCN1 L19492 [1,0,0,1,0,0|2,0,0]=4 510 B8R1.11 CCN1CCCC1=O B24548 [1,0,0,1,0,0|1,0,0]=3 511 B8R1.11 CN1CCC[C@H]1CO H62573 [1,0,0,1,0,0|2,0,0]=4 512 B8R1.22 C1CC(=O)CCNC1 H66355 [1,0,0,1,0,0|1,0,0]=3 513 B8R1.22 C1CCC(=O)NCC1 L06999 [1,0,0,1,0,0|1,0,0]=3 514 B8R1.22 C1CCC(=O)OCC1 A10299 [1,0,0,1,0,0|1,0,0]=3 515 B8R1.22 C1CCC(=O)[N-]CC1 44686 [1,0,0,1,0,0|1,0,0]=3 516 B8R1.22 C1CCCC(=O)CC1 A13421 [1,0,0,1,0,0|0,0,0]=2 517 B8R1.22 C1CCCC(CC1)Br B23110 [1,0,0,1,0,0|1,0,1]=4 518 B8R1.22 C1CCCC(CC1)N L01699 [1,0,0,1,0,0|1,0,1]=4 519 B8R1.22 C1CNCCNC1=O H26990 [1,0,0,1,0,0|2,0,0]=4 520 B8R1.22 C1COCCNC1=O B22406 [1,0,0,1,0,0|2,0,0]=4 521 B8R1.22 CN1CCCNCC1 H55441 [1,0,0,1,0,0|2,0,0]=4 522 B8R1.49 C1CCCCCCC1 L15000 [1,0,0,1,0,0|0,0,1]=3 523 B8R1.49 C1CCC\C=C/CC1 A13477 [1,0,0,1,0,0|0,0,1]=3 524 B8R1.49 C1CC\C=C/CCC1 44966 [1,0,0,1,0,0|0,0,1]=3 525 B8R1.1 C1CC(=O)N[C@@H]1CO L18359 [1,0,0,1,0,0|2,0,0]=4 526 B8R1.1 C1CC(=O)N[C@H]1CO L18358 [1,0,0,1,0,0|2,0,0]=4 527 B8R1.1 CCC1CCC(=O)C1 B20432 [1,0,0,1,0,0|0,0,0]=2 528 B8R1.1 CCC1CCC(=O)O1 A19642 [1,0,0,1,0,0|1,0,0]=3 529 B8R1.4 C1CC(=O)CC(=O)C1 A11109 [1,0,0,1,0,0|1,0,1]=4 530 B8R1.4 CC1=CC(=O)CCC1 A15704 [1,0,0,1,0,0|0,0,2]=4 531 B8R1.4 CC1CCCC(=O)O1 A19274 [1,0,0,1,0,0|1,0,0]=3 532 B8R1.4 CC1CCCC(N1)C B24524 [1,0,0,1,0,0|1,0,1]=4 533 B8R1.4 CN1CCNC(=O)C1 H57633 [1,0,0,1,0,0|2,0,0]=4 534 B8R1.4 C[C@H]1CCC[C@H](C1)O B20288 [1,0,0,1,0,0|0,0,2]=4 535 B8R1.7 C1CC(NC1)C(=O)O A13137 [1,0,0,1,0,0|2,0,0]=4 536 B8R1.7 C1CC(OC1)C(=O)O B22927 [1,0,0,1,0,0|2,0,0]=4 537 B8R1.7 C1CCC(C1)C(=O)Cl A14142 [1,0,0,1,0,0|1,0,0]=3 538 B8R1.7 C1CCC(C1)C(=O)O A12375 [1,0,0,1,0,0|1,0,0]=3 539 B8R1.7 C1CCC(C1)[N+](=O)[O-] L08029 [1,0,0,1,0,0|2,0,0]=4 540 B8R1.7 C1CCN(C1)C(=O)Cl L13396 [1,0,0,1,0,0|2,0,0]=4 541 B8R1.7 C1CNCC1C(=O)O H57365 [1,0,0,1,0,0|2,0,0]=4 542 B8R1.7 C1CNC[C@@H]1C(=O)O H57356 [1,0,0,1,0,0|2,0,0]=4 543 B8R1.7 C1CNC[C@H]1C(=O)O H57895 [1,0,0,1,0,0|2,0,0]=4 544 B8R1.7 C1COC[C@H]1C(=O)O H66392 [1,0,0,1,0,0|2,0,0]=4 545 B8R1.7 C1C[C@@H](NC1)C(=O)N H30901 [1,0,0,1,0,0|2,0,0]=4 546 B8R1.7 C1C[C@@H](NC1)C(=O)N H65690 [1,0,0,1,0,0|2,0,0]=4 547 B8R1.7 C1C[C@@H](NC1)C(=O)O A10682 [1,0,0,1,0,0|2,0,0]=4 548 B8R1.7 C1C[C@@H](OC1)C(=O)O L19410 [1,0,0,1,0,0|2,0,0]=4 549 B8R1.7 C1C[C@H](NC1)C(=O)N L20417 [1,0,0,1,0,0|2,0,0]=4 550 B8R1.7 C1C[C@H](NC1)C(=O)O A10199 [1,0,0,1,0,0|2,0,0]=4 551 B8R1.7 C1C[C@H](OC1)C(=O)O L19411 [1,0,0,1,0,0|2,0,0]=4 552 B8R1.7 CC(=O)C1CCCC1 H64744 [1,0,0,1,0,0|0,0,0]=2 553 B8R1.7 CC(C1CCCC1)O L03446 [1,0,0,1,0,0|0,0,2]=4 554 B8R1.72 CC1(CCCCC1)O L00967 [1,0,0,1,0,0|0,0,2]=4 555 B10R1.13 C1CC(=O)CCC1C(=O)O H27294 [0,1,0,1,0,0|1,0,1]=4 556 B10R1.13 C1[C@@H](CC[C@@H](C1)N)C(=O)O H27567 [0,1,0,1,0,0|1,0,0]=3 557 B10R1.13 C1[C@@H](CC[C@H](C1)N)C(=O)O H27489 [0,1,0,1,0,0|1,0,0]=3 558 B10R1.13 C1[C@@H](CC[C@H](C1)N)C(=O)O H31114 [0,1,0,1,0,0|1,0,0]=3 559 B10R1.13 CC(=O)N1CCC(=O)CC1 A13512 [0,1,0,1,0,0|1,0,1]=4 560 B10R1.13 CC(=O)N1CCC(CC1)N H30389 [0,1,0,1,0,0|1,0,0]=3 561 B10R1.13 CN1CCC(CC1)C(=O)O H33083 [0,1,0,1,0,0|2,0,0]=4 562 B10R1.13 C[C@H]1CC[C@@H](CC1)C(=O)O H27455 [0,1,0,1,0,0|1,0,0]=3 563 B10R1.31 CCC1NC(CS1)C(=O)O H62626 [0,1,0,1,0,0|2,0,0]=4 564 B10R1.10 CCCC1CCCC(=O)O1 L14303 [0,1,0,1,0,0|1,0,0]=3 565 B10R1.10 CCCC1CCOC(S1)C B22630 [0,1,0,1,0,0|0,1,1]=4 566 B10R1.10 CCOC1=CC(=O)CCC1 A14224 [0,1,0,1,0,0|0,0,2]=4 567 B10R1.10 CNCC1CCCN(C1)C H33455 [0,1,0,1,0,0|2,0,0]=4 568 B10R1.16 CCCCC1CCC(=O)O1 A18142 [0,1,0,1,0,0|1,0,0]=3 569 B10R1.18 C1CCC(=CC1)CC(=O)O 19462 [0,1,0,1,0,0|1,0,1]=4 570 B10R1.18 C1CCC(CC1)CC(=O)O H31986 [0,1,0,1,0,0|1,0,0]=3 571 B10R1.18 C1CCC(CC1)NC(=O)N B24915 [0,1,0,1,0,0|1,0,0]=3 572 B10R1.18 C1CNCCC1CC(=O)O H64031 [0,1,0,1,0,0|1,0,0]=3 573 B10R1.18 C1COCCN1CC(=O)O H61188 [0,1,0,1,0,0|2,0,0]=4 574 B10R1.18 CC(=O)CC1CCCCC1 A12748 [0,1,0,1,0,0|0,0,0]=2 575 B10R1.18 CC(=O)NC1CCNCC1 H50981 [0,1,0,1,0,0|1,0,0]=3 576 B10R1.18 CC(=O)OC1=CCCCC1 L04970 [0,1,0,1,0,0|0,0,2]=4 577 B10R1.61 C1CC[C@@H]([C@H](C1)C(=O)O)N H52779 [0,1,0,1,0,0|1,0,0]=3 578 B10R1.61 C1CC[C@H]([C@@H](C1)C(=O)O)N H52418 [0,1,0,1,0,0|1,0,0]=3 579 B10R1.61 CC(=O)C1CCCCC1=O L02753 [0,1,0,1,0,0|0,0,1]=3 580 B10R1.64 C1CC(C(=O)C1)CC(=O)O H26977 [0,1,0,1,0,0|1,0,1]=4 581 B10R1.66 C1CCC(C1)CCC(=O)Cl A17715 [0,1,0,1,0,0|1,0,0]=3 582 B10R1.66 C1CCC(C1)CCC(=O)O A18192 [0,1,0,1,0,0|1,0,0]=3 583 B10R1.66 CC(=O)OCC1CCCO1 B23205 [0,1,0,1,0,0|1,0,0]=3 584 B10R1.78 C1CCCC(=O)NCCC1 A18621 [0,1,0,1,0,0|0,0,0]=2 585 B10R1.348 CC(=O)N1CCCNCC1 H50260 [0,1,0,1,0,0|1,0,0]=3 586 B10R1.28 CC(C)(C)C1CCCCC1 B24126 [0,1,0,1,0,0|1,0,1]=4 587 B10R1.1 CCCC1CCC(=O)CC1 A11126 [0,1,0,1,0,0|0,0,0]=2 588 B10R1.1 CCCN1CCC(=O)CC1 B25477 [0,1,0,1,0,0|1,0,0]=3 589 B10R1.15 C1COCCN1C(=O)CCl B21548 [0,1,0,1,0,0|2,0,0]=4 590 B10R1.15 CCC(=O)C1CCCCC1 B20409 [0,1,0,1,0,0|0,0,0]=2 591 B10R1.15 CCC(C1CCCCC1)O B20497 [0,1,0,1,0,0|0,0,2]=4 592 B10R1.15 COC(=O)C1=CCCCC1 B25568 [0,1,0,1,0,0|0,0,2]=4 593 B10R1.15 COC(=O)C1CCNCC1 H61754 [0,1,0,1,0,0|1,0,0]=3 594 B10R1.149 COC(=O)C1CCCC1=O B25256 [0,1,0,1,0,0|1,0,1]=4 595 B10R1.161 C1CCCC(=NO)CCC1 A16672 [0,1,0,1,0,0|0,0,1]=3 596 B10R1.161 C1CCCC(CCC1)CO B20450 [0,1,0,1,0,0|0,0,2]=4 597 B10R1.23 C1CCC(C1)[C@@H](C(=O)O)N H62776 [0,1,0,1,0,0|1,0,0]=3 598 B10R1.113 C1C[C@H](C[C@@H](C1)N)C(=O)N H62529 [0,1,0,1,0,0|1,0,0]=3 599 B10R1.113 C1C[C@H](C[C@@H](C1)N)C(=O)O H62232 [0,1,0,1,0,0|1,0,0]=3 600 B10R1.363 C1CCC(CC1)(C(=O)O)N A11853 [0,1,0,1,0,0|1,0,0]=3 601 B10R1.363 C1CCC(CC1)(C(=O)O)N B24031 [0,1,0,1,0,0|1,0,0]=3 602 B10R1.363 CC1(CCCCC1)C(=O)O B21713 [0,1,0,1,0,0|1,0,0]=3 603 B10R1.140 CCOC(=O)C1CC(=O)C1 H62420 [0,1,0,1,0,0|1,0,1]=4 604 B10R1.211 C1CC1C(=O)CCC(=O)O H51078 [0,1,0,1,0,0|1,0,1]=4 605 B10R2.62 C1CN2CCC1C(=O)C2 A13320 [0,0,0,2,0,0|1,0,0]=3 606 B10R2.71 C1CC2CC(=O)CC1N2 H64485 [0,0,0,2,0,0|1,0,0]=3 607 B10R2.408 B1[C@H]2CCC[C@@H]1CCC2 H52287 [0,0,0,2,0,0|1,0,1]=4 608 B10R2.408 B1[C@H]2CCC[C@@H]1CCC2 L15166 [0,0,0,2,0,0|1,0,1]=4