0 B6R0.6 C#CCCCCCl H53476 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.6 C#CCCCCO 43370 [0,0,0,0,0,0|2,0,1]=3 2 B6R0.6 C(C#N)NCC#N B23660 [0,0,0,0,0,0|2,0,2]=4 3 B6R0.6 C(CBr)OCCBr L11510 [0,0,0,0,0,0|3,0,0]=3 4 B6R0.6 C(CCBr)CC#N L03952 [0,0,0,0,0,0|3,0,1]=4 5 B6R0.6 C(CCBr)CCBr A18465 [0,0,0,0,0,0|3,0,0]=3 6 B6R0.6 C(CCCl)CC#N L01413 [0,0,0,0,0,0|3,0,1]=4 7 B6R0.6 C(CCCl)CCBr B20479 [0,0,0,0,0,0|3,0,0]=3 8 B6R0.6 C(CCCl)CCCl A12433 [0,0,0,0,0,0|3,0,0]=3 9 B6R0.6 C(CCCl)CCI L04469 [0,0,0,0,0,0|3,0,0]=3 10 B6R0.6 C(CCCl)CC[Zn+] H58957 [0,0,0,0,0,0|3,0,0]=3 11 B6R0.6 C(CCF)CCBr H64806 [0,0,0,0,0,0|3,0,0]=3 12 B6R0.6 C(CCI)CCI A17298 [0,0,0,0,0,0|3,0,0]=3 13 B6R0.6 C(CCN)CCN B23039 [0,0,0,0,0,0|3,0,0]=3 14 B6R0.6 C(CCN)CCO H33954 [0,0,0,0,0,0|2,0,0]=2 15 B6R0.6 C(CCN)CCO L01979 [0,0,0,0,0,0|2,0,0]=2 16 B6R0.6 C(CCO)CCCl L12088 [0,0,0,0,0,0|2,0,0]=2 17 B6R0.6 C(CCO)CCO A13998 [0,0,0,0,0,0|1,0,0]=1 18 B6R0.6 C(CCS)CCS B25665 [0,0,0,0,0,0|1,2,0]=3 19 B6R0.6 C(CC[Zn+])CC#N H58897 [0,0,0,0,0,0|3,0,1]=4 20 B6R0.6 C(CCl)NCCCl A13118 [0,0,0,0,0,0|2,0,0]=2 21 B6R0.6 C(CCl)OCCCl A14234 [0,0,0,0,0,0|3,0,0]=3 22 B6R0.6 C(CNCCN)N A11033 [0,0,0,0,0,0|2,0,0]=2 23 B6R0.6 C(CNCCO)N A10833 [0,0,0,0,0,0|1,0,0]=1 24 B6R0.6 C(CO)NCCO A13389 [0,0,0,0,0,0|0,0,0]=0 25 B6R0.6 C(COCCCl)O A13074 [0,0,0,0,0,0|2,0,0]=2 26 B6R0.6 C(COCCN)N 46833 [0,0,0,0,0,0|3,0,0]=3 27 B6R0.6 C(COCCN)N 46903 [0,0,0,0,0,0|3,0,0]=3 28 B6R0.6 C(COCCN)N 46973 [0,0,0,0,0,0|3,0,0]=3 29 B6R0.6 C(COCCO)N L18897 [0,0,0,0,0,0|2,0,0]=2 30 B6R0.6 C(COCCO)O A14728 [0,0,0,0,0,0|1,0,0]=1 31 B6R0.6 C(CSCCS)S B22304 [0,0,0,0,0,0|1,2,0]=3 32 B6R0.6 C=CCCCCBr L12909 [0,0,0,0,0,0|3,0,1]=4 33 B6R0.6 C=CCCCCCl H53396 [0,0,0,0,0,0|3,0,1]=4 34 B6R0.6 C=CCCCCO A15766 [0,0,0,0,0,0|2,0,1]=3 35 B6R0.6 C=CCCCC[Zn+] H58622 [0,0,0,0,0,0|3,0,1]=4 36 B6R0.6 C=CCNCC=C A18950 [0,0,0,0,0,0|2,0,2]=4 37 B6R0.6 CCCC#CCC H53504 [0,0,0,0,0,0|3,0,1]=4 38 B6R0.6 CCCC#CCO A13339 [0,0,0,0,0,0|2,0,1]=3 39 B6R0.6 CCCCCC#C A11130 [0,0,0,0,0,0|3,0,1]=4 40 B6R0.6 CCCCCC=C L11487 [0,0,0,0,0,0|3,0,1]=4 41 B6R0.6 CCCCCC=O A16265 [0,0,0,0,0,0|2,0,2]=4 42 B6R0.6 CCCCCCBr A15166 [0,0,0,0,0,0|3,0,0]=3 43 B6R0.6 CCCCCCC 22911 [0,0,0,0,0,0|3,0,0]=3 44 B6R0.6 CCCCCCC 32441 [0,0,0,0,0,0|3,0,0]=3 45 B6R0.6 CCCCCCC 40978 [0,0,0,0,0,0|3,0,0]=3 46 B6R0.6 CCCCCCC 44457 [0,0,0,0,0,0|3,0,0]=3 47 B6R0.6 CCCCCCC 47191 [0,0,0,0,0,0|3,0,0]=3 48 B6R0.6 CCCCCCC A19894 [0,0,0,0,0,0|3,0,0]=3 49 B6R0.6 CCCCCCC H33987 [0,0,0,0,0,0|3,0,0]=3 50 B6R0.6 CCCCCCCl B22379 [0,0,0,0,0,0|3,0,0]=3 51 B6R0.6 CCCCCCI A13784 [0,0,0,0,0,0|3,0,0]=3 52 B6R0.6 CCCCCCN A15663 [0,0,0,0,0,0|3,0,0]=3 53 B6R0.6 CCCCCCO A18232 [0,0,0,0,0,0|2,0,0]=2 54 B6R0.6 CCCCCCS L09659 [0,0,0,0,0,0|2,1,0]=3 55 B6R0.6 CCCCCC[Mg+] H51167 [0,0,0,0,0,0|3,0,0]=3 56 B6R0.6 CCCCCC[Zn+] H58384 [0,0,0,0,0,0|3,0,0]=3 57 B6R0.6 CCCCCNC L04882 [0,0,0,0,0,0|4,0,0]=4 58 B6R0.6 CCCCNCC B22881 [0,0,0,0,0,0|4,0,0]=4 59 B6R0.6 CCCCOCC A17963 [0,0,0,0,0,0|4,0,0]=4 60 B6R0.6 CCCNCCC L15808 [0,0,0,0,0,0|2,0,0]=2 61 B6R0.6 CCCNCCN L03517 [0,0,0,0,0,0|2,0,0]=2 62 B6R0.6 CCCOCCC B21423 [0,0,0,0,0,0|3,0,0]=3 63 B6R0.6 CCCSCCC B23155 [0,0,0,0,0,0|3,0,0]=3 64 B6R0.6 CCCSCCO L12528 [0,0,0,0,0,0|2,0,0]=2 65 B6R0.6 CCC\C=C/CO A13734 [0,0,0,0,0,0|2,0,1]=3 66 B6R0.6 CCC\C=C\CC B25297 [0,0,0,0,0,0|3,0,1]=4 67 B6R0.6 CCC\C=C\CC H53482 [0,0,0,0,0,0|3,0,1]=4 68 B6R0.6 CCC\C=C\CO A13272 [0,0,0,0,0,0|2,0,1]=3 69 B6R0.6 CCOCCCN B23694 [0,0,0,0,0,0|4,0,0]=4 70 B6R0.6 CCSCCCO B22710 [0,0,0,0,0,0|3,0,0]=3 71 B6R0.6 CC\C=C/CCO A10313 [0,0,0,0,0,0|2,0,1]=3 72 B6R0.6 CC\C=C\CCO L10541 [0,0,0,0,0,0|2,0,1]=3 73 B6R0.6 COCCCCO H50339 [0,0,0,0,0,0|3,0,0]=3 74 B6R0.6 CSCCCCO B22673 [0,0,0,0,0,0|3,0,0]=3 75 B6R0.6 C\C=C/CCCO A19266 [0,0,0,0,0,0|2,0,2]=4 76 B6R0.6 C\C=C\CCCO H54459 [0,0,0,0,0,0|2,0,2]=4 77 B6R0.6 [Li]CCCCCC 47271 [0,0,0,0,0,0|3,0,0]=3 78 B6R0.6 [Li]CCCCCC L15102 [0,0,0,0,0,0|3,0,0]=3 79 B5R0.2 C#CCCCCl L02835 [1,0,0,0,0,0|2,0,1]=4 80 B5R0.2 C#CCCCO A10405 [1,0,0,0,0,0|1,0,1]=3 81 B5R0.2 C(C#CCCl)O L20159 [1,0,0,0,0,0|1,0,2]=4 82 B5R0.2 C(C#CCO)O A14539 [1,0,0,0,0,0|0,0,2]=3 83 B5R0.2 C(CC#N)CBr A10674 [1,0,0,0,0,0|2,0,1]=4 84 B5R0.2 C(CC#N)CCl A18942 [1,0,0,0,0,0|2,0,1]=4 85 B5R0.2 C(CC#N)C[Zn+] H58962 [1,0,0,0,0,0|2,0,1]=4 86 B5R0.2 C(CCBr)CBr A11669 [1,0,0,0,0,0|2,0,0]=3 87 B5R0.2 C(CCBr)CCl A11399 [1,0,0,0,0,0|2,0,0]=3 88 B5R0.2 C(CCBr)CF H64317 [1,0,0,0,0,0|2,0,0]=3 89 B5R0.2 C(CCBr)CO 16805 [1,0,0,0,0,0|1,0,0]=2 90 B5R0.2 C(CCCl)CCl B21337 [1,0,0,0,0,0|2,0,0]=3 91 B5R0.2 C(CCCl)CO L04042 [1,0,0,0,0,0|1,0,0]=2 92 B5R0.2 C(CCI)CCl L03302 [1,0,0,0,0,0|2,0,0]=3 93 B5R0.2 C(CCI)CI A16216 [1,0,0,0,0,0|2,0,0]=3 94 B5R0.2 C(CCN)CN A18312 [1,0,0,0,0,0|2,0,0]=3 95 B5R0.2 C(CCN)CN B21316 [1,0,0,0,0,0|2,0,0]=3 96 B5R0.2 C(CCO)CN A12680 [1,0,0,0,0,0|1,0,0]=2 97 B5R0.2 C(CCO)CO L03491 [1,0,0,0,0,0|0,0,0]=1 98 B5R0.2 C(CC[Zn+])CCl H58266 [1,0,0,0,0,0|2,0,0]=3 99 B5R0.2 C(CO)NC=O H52345 [1,0,0,0,0,0|0,0,2]=3 100 B5R0.2 C(\C=C/CO)O A19182 [1,0,0,0,0,0|0,0,2]=3 101 B5R0.2 C=CCCCBr A11219 [1,0,0,0,0,0|2,0,1]=4 102 B5R0.2 C=CCCCO A11178 [1,0,0,0,0,0|1,0,1]=3 103 B5R0.2 C=CCCC[Zn+] H58177 [1,0,0,0,0,0|2,0,1]=4 104 B5R0.2 CC#CCCO L02951 [1,0,0,0,0,0|1,0,1]=3 105 B5R0.2 CCC#CCBr H53433 [1,0,0,0,0,0|2,0,1]=4 106 B5R0.2 CCC#CCC L02682 [1,0,0,0,0,0|2,0,1]=4 107 B5R0.2 CCC#CCO A12999 [1,0,0,0,0,0|1,0,1]=3 108 B5R0.2 CCCC#CC B22405 [1,0,0,0,0,0|2,0,1]=4 109 B5R0.2 CCCCC#C A13156 [1,0,0,0,0,0|2,0,1]=4 110 B5R0.2 CCCCC#N A10306 [1,0,0,0,0,0|2,0,1]=4 111 B5R0.2 CCCCC=C B20271 [1,0,0,0,0,0|2,0,1]=4 112 B5R0.2 CCCCC=O B21389 [1,0,0,0,0,0|1,0,2]=4 113 B5R0.2 CCCCCBr A10821 [1,0,0,0,0,0|2,0,0]=3 114 B5R0.2 CCCCCC 19353 [1,0,0,0,0,0|2,0,0]=3 115 B5R0.2 CCCCCC 32454 [1,0,0,0,0,0|2,0,0]=3 116 B5R0.2 CCCCCC 39199 [1,0,0,0,0,0|2,0,0]=3 117 B5R0.2 CCCCCC 41727 [1,0,0,0,0,0|2,0,0]=3 118 B5R0.2 CCCCCC 42100 [1,0,0,0,0,0|2,0,0]=3 119 B5R0.2 CCCCCC 43263 [1,0,0,0,0,0|2,0,0]=3 120 B5R0.2 CCCCCC 47104 [1,0,0,0,0,0|2,0,0]=3 121 B5R0.2 CCCCCC L09938 [1,0,0,0,0,0|2,0,0]=3 122 B5R0.2 CCCCCC L13233 [1,0,0,0,0,0|2,0,0]=3 123 B5R0.2 CCCCCCl B24733 [1,0,0,0,0,0|2,0,0]=3 124 B5R0.2 CCCCCI B20781 [1,0,0,0,0,0|2,0,0]=3 125 B5R0.2 CCCCCN A11674 [1,0,0,0,0,0|2,0,0]=3 126 B5R0.2 CCCCCO 30898 [1,0,0,0,0,0|1,0,0]=2 127 B5R0.2 CCCCCO A13093 [1,0,0,0,0,0|1,0,0]=2 128 B5R0.2 CCCCCO H33391 [1,0,0,0,0,0|1,0,0]=2 129 B5R0.2 CCCCCS L04330 [1,0,0,0,0,0|1,1,0]=3 130 B5R0.2 CCCCC[Mg+] 41278 [1,0,0,0,0,0|2,0,0]=3 131 B5R0.2 CCCCC[Mg+] H51175 [1,0,0,0,0,0|2,0,0]=3 132 B5R0.2 CCCCC[O-] 36569 [1,0,0,0,0,0|1,0,1]=3 133 B5R0.2 CCCCC[Zn+] H58633 [1,0,0,0,0,0|2,0,0]=3 134 B5R0.2 CCCCNC B23032 [1,0,0,0,0,0|3,0,0]=4 135 B5R0.2 CCCCSC L12039 [1,0,0,0,0,0|3,0,0]=4 136 B5R0.2 CCCNCC 14846 [1,0,0,0,0,0|1,0,0]=2 137 B5R0.2 CCC\C=C/C H53506 [1,0,0,0,0,0|2,0,1]=4 138 B5R0.2 CCC\C=C\C B22289 [1,0,0,0,0,0|2,0,1]=4 139 B5R0.2 CCC\C=C\C H53472 [1,0,0,0,0,0|2,0,1]=4 140 B5R0.2 CCC\C=N\O A11420 [1,0,0,0,0,0|2,0,1]=4 141 B5R0.2 CCNCCN B23577 [1,0,0,0,0,0|1,0,0]=2 142 B5R0.2 CCNCCO A15744 [1,0,0,0,0,0|0,0,0]=1 143 B5R0.2 CCNNCC B22317 [1,0,0,0,0,0|2,0,0]=3 144 B5R0.2 CCOCC=C B22276 [1,0,0,0,0,0|2,0,1]=4 145 B5R0.2 CCOCCBr L04034 [1,0,0,0,0,0|2,0,0]=3 146 B5R0.2 CCOCCCl B24308 [1,0,0,0,0,0|2,0,0]=3 147 B5R0.2 CCOCCO A16100 [1,0,0,0,0,0|1,0,0]=2 148 B5R0.2 CCSCC=C L12847 [1,0,0,0,0,0|2,0,1]=4 149 B5R0.2 CCSCCN B22147 [1,0,0,0,0,0|2,0,0]=3 150 B5R0.2 CCSCCO L05040 [1,0,0,0,0,0|1,0,0]=2 151 B5R0.2 CCSSCC L10065 [1,0,0,0,0,0|3,0,0]=4 152 B5R0.2 CC\C=C/CC H53485 [1,0,0,0,0,0|2,0,1]=4 153 B5R0.2 CC\C=C/CO A14262 [1,0,0,0,0,0|1,0,1]=3 154 B5R0.2 CC\C=C\CC L10311 [1,0,0,0,0,0|2,0,1]=4 155 B5R0.2 CNCCCN B23319 [1,0,0,0,0,0|3,0,0]=4 156 B5R0.2 CNCCCO H58818 [1,0,0,0,0,0|2,0,0]=3 157 B5R0.2 COCCCN B24095 [1,0,0,0,0,0|3,0,0]=4 158 B5R0.2 CSCCCN H25846 [1,0,0,0,0,0|3,0,0]=4 159 B5R0.2 CSCCCO A10403 [1,0,0,0,0,0|2,0,0]=3 160 B7R0.1 C#CCCCCCO H61509 [0,1,0,0,0,0|2,0,0]=3 161 B7R0.1 C(C#CC#CCO)O L09576 [0,1,0,0,0,0|1,0,2]=4 162 B7R0.1 C(CCC#N)CCBr A10400 [0,1,0,0,0,0|3,0,0]=4 163 B7R0.1 C(CCC#N)CCN H27804 [0,1,0,0,0,0|3,0,0]=4 164 B7R0.1 C(CCC#N)CC[Zn+] H58480 [0,1,0,0,0,0|3,0,0]=4 165 B7R0.1 C(CCCBr)CCBr A13417 [0,1,0,0,0,0|3,0,0]=4 166 B7R0.1 C(CCCBr)CCCl B21619 [0,1,0,0,0,0|3,0,0]=4 167 B7R0.1 C(CCCBr)CCO B21803 [0,1,0,0,0,0|2,0,0]=3 168 B7R0.1 C(CCCCl)CCCl B21763 [0,1,0,0,0,0|3,0,0]=4 169 B7R0.1 C(CCCCl)CCO A14582 [0,1,0,0,0,0|2,0,0]=3 170 B7R0.1 C(CCCI)CCCl L05198 [0,1,0,0,0,0|3,0,0]=4 171 B7R0.1 C(CCCI)CCI A15368 [0,1,0,0,0,0|3,0,0]=4 172 B7R0.1 C(CCCN)CCN A14212 [0,1,0,0,0,0|3,0,0]=4 173 B7R0.1 C(CCCO)CCN L14157 [0,1,0,0,0,0|2,0,0]=3 174 B7R0.1 C(CCCO)CCO A12439 [0,1,0,0,0,0|1,0,0]=2 175 B7R0.1 C(CCCS)CCS L06686 [0,1,0,0,0,0|1,2,0]=4 176 B7R0.1 C(CCC[Zn+])CCCl H58330 [0,1,0,0,0,0|3,0,0]=4 177 B7R0.1 C(CN)CNCCBr H60309 [0,1,0,0,0,0|2,0,0]=3 178 B7R0.1 C(CN)CNCCN A19108 [0,1,0,0,0,0|2,0,0]=3 179 B7R0.1 C(CSSCCN)N B22873 [0,1,0,0,0,0|3,0,0]=4 180 B7R0.1 C(CSSCCO)O L11800 [0,1,0,0,0,0|1,0,0]=2 181 B7R0.1 C=CCCCCCBr H64127 [0,1,0,0,0,0|3,0,0]=4 182 B7R0.1 CCCC#CCCC 43157 [0,1,0,0,0,0|3,0,0]=4 183 B7R0.1 CCCC#CCCO B20884 [0,1,0,0,0,0|2,0,0]=3 184 B7R0.1 CCCCC#CCO A14959 [0,1,0,0,0,0|2,0,1]=4 185 B7R0.1 CCCCCCC#C A12440 [0,1,0,0,0,0|3,0,0]=4 186 B7R0.1 CCCCCCC#N A12326 [0,1,0,0,0,0|3,0,0]=4 187 B7R0.1 CCCCCCC=C A11146 [0,1,0,0,0,0|3,0,0]=4 188 B7R0.1 CCCCCCC=O B23830 [0,1,0,0,0,0|2,0,1]=4 189 B7R0.1 CCCCCCCBr A14031 [0,1,0,0,0,0|3,0,0]=4 190 B7R0.1 CCCCCCCC A13181 [0,1,0,0,0,0|3,0,0]=4 191 B7R0.1 CCCCCCCI B24206 [0,1,0,0,0,0|3,0,0]=4 192 B7R0.1 CCCCCCCN A17922 [0,1,0,0,0,0|3,0,0]=4 193 B7R0.1 CCCCCCCO A12793 [0,1,0,0,0,0|2,0,0]=3 194 B7R0.1 CCCCCCCS L07079 [0,1,0,0,0,0|2,1,0]=4 195 B7R0.1 CCCCCCC[Mg+] H51173 [0,1,0,0,0,0|3,0,0]=4 196 B7R0.1 CCCCCCC[Zn+] H58840 [0,1,0,0,0,0|3,0,0]=4 197 B7R0.1 CCCCCCOC A17207 [0,1,0,0,0,0|2,0,0]=3 198 B7R0.1 CCCCNCCN L13437 [0,1,0,0,0,0|2,0,0]=3 199 B7R0.1 CCCCOCCO A17976 [0,1,0,0,0,0|2,0,0]=3 200 B7R0.1 CCCC\C=C\CO A11750 [0,1,0,0,0,0|2,0,1]=4 201 B7R0.1 CCCSSCCC L09881 [0,1,0,0,0,0|3,0,0]=4 202 B7R0.1 CCC\C=C/CCC 43156 [0,1,0,0,0,0|3,0,0]=4 203 B7R0.1 CCC\C=C/CCO A19172 [0,1,0,0,0,0|2,0,0]=3 204 B7R0.1 CCC\C=C\CCC 43155 [0,1,0,0,0,0|3,0,0]=4 205 B7R0.1 CC\C=C/CCCO A16596 [0,1,0,0,0,0|2,0,1]=4 206 B7R0.1 COCCOCCBr L05406 [0,1,0,0,0,0|2,0,0]=3 207 B7R0.1 COCCOCCO A16063 [0,1,0,0,0,0|1,0,0]=2 208 B7R0.3 CCCCC(C)CC L12006 [0,1,0,0,0,0|3,0,0]=4 209 B7R0.3 CCCCC(CC)Br L04427 [0,1,0,0,0,0|3,0,0]=4 210 B7R0.3 CCCCC(CC)[Zn+] H58866 [0,1,0,0,0,0|3,0,0]=4 211 B7R0.3 CCCCC(CO)O L06864 [0,1,0,0,0,0|2,0,0]=3 212 B7R0.3 CSCC[C@@H](CO)N B24211 [0,1,0,0,0,0|3,0,0]=4 213 B7R0.4 C(CCBr)CC(=O)O A11765 [0,1,0,0,0,0|2,0,1]=4 214 B7R0.4 C(CCN)CC(=O)O A15043 [0,1,0,0,0,0|2,0,1]=4 215 B7R0.4 C(CCN)CC(=O)O B24788 [0,1,0,0,0,0|2,0,1]=4 216 B7R0.4 C(COCC(=O)O)N H52289 [0,1,0,0,0,0|2,0,1]=4 217 B7R0.4 CC(C)CCCCBr L09486 [0,1,0,0,0,0|3,0,0]=4 218 B7R0.4 CC(C)CCCCCl B20133 [0,1,0,0,0,0|3,0,0]=4 219 B7R0.4 CCC#CCC(C)O L11292 [0,1,0,0,0,0|2,0,1]=4 220 B7R0.4 CCCCCC(=O)O A13789 [0,1,0,0,0,0|2,0,1]=4 221 B7R0.4 CCCCCC(C)C H26220 [0,1,0,0,0,0|3,0,0]=4 222 B7R0.4 CCCCCC(C)N B22863 [0,1,0,0,0,0|3,0,0]=4 223 B7R0.4 CCCCCC(C)N L08596 [0,1,0,0,0,0|3,0,0]=4 224 B7R0.4 CCCCCC(C)O A18391 [0,1,0,0,0,0|2,0,0]=3 225 B7R0.4 CCCCCC(C)[Zn+] H58890 [0,1,0,0,0,0|3,0,0]=4 226 B7R0.4 CCCCC[C@@H](C)N L19306 [0,1,0,0,0,0|3,0,0]=4 227 B7R0.4 CCCCC[C@H](C)N L19307 [0,1,0,0,0,0|3,0,0]=4 228 B7R0.4 CCCCC[C@H](C)O 33795 [0,1,0,0,0,0|2,0,0]=3 229 B7R0.7 C(NC(=O)NCO)O A16060 [0,1,0,0,0,0|3,0,0]=4 230 B7R0.7 CC(CCBr)CCBr B20521 [0,1,0,0,0,0|3,0,0]=4 231 B7R0.7 CC(CCO)CCO B20546 [0,1,0,0,0,0|1,0,0]=2 232 B7R0.7 CCCC(=O)CCC B21222 [0,1,0,0,0,0|3,0,0]=4 233 B7R0.7 CCCC(CCC)Br H60807 [0,1,0,0,0,0|3,0,0]=4 234 B7R0.7 CCCC(CCC)Br L04807 [0,1,0,0,0,0|3,0,0]=4 235 B7R0.7 CCCC(CCC)[Zn+] H58039 [0,1,0,0,0,0|3,0,0]=4 236 B7R0.7 CCCC(CCO)S B21965 [0,1,0,0,0,0|2,0,0]=3 237 B7R0.7 CCCN(C)CCC H65077 [0,1,0,0,0,0|2,0,0]=3 238 B7R0.7 CN(CCCl)CCCl H55066 [0,1,0,0,0,0|2,0,0]=3 239 B7R0.7 CN(CCO)CCO L15712 [0,1,0,0,0,0|0,0,0]=1 240 B7R1.1 C1CC(NC1)CO H62322 [0,0,0,1,0,0|1,0,0]=2 241 B7R1.1 C1CC(OC1)CBr A15192 [0,0,0,1,0,0|2,0,0]=3 242 B7R1.1 C1CC(OC1)CCl B24015 [0,0,0,1,0,0|2,0,0]=3 243 B7R1.1 C1CC(OC1)CN B23068 [0,0,0,1,0,0|2,0,0]=3 244 B7R1.1 C1CC(OC1)CO A17078 [0,0,0,1,0,0|1,0,0]=2 245 B7R1.1 C1CCC(C1)CI B25391 [0,0,0,1,0,0|3,0,0]=4 246 B7R1.1 C1CCC(C1)CO A11595 [0,0,0,1,0,0|2,0,0]=3 247 B7R1.1 C1CNCC1CO H57225 [0,0,0,1,0,0|3,0,0]=4 248 B7R1.1 C1CNC[C@@H]1CO H57871 [0,0,0,1,0,0|3,0,0]=4 249 B7R1.1 C1CNC[C@H]1CO H57199 [0,0,0,1,0,0|3,0,0]=4 250 B7R1.1 C1COC(O1)CBr A19312 [0,0,0,1,0,0|2,0,0]=3 251 B7R1.1 C1COC(O1)C[Zn+] H58702 [0,0,0,1,0,0|2,0,0]=3 252 B7R1.1 C1C[C@@H](NC1)CN H66198 [0,0,0,1,0,0|2,0,0]=3 253 B7R1.1 C1C[C@@H](NC1)CO L11109 [0,0,0,1,0,0|1,0,0]=2 254 B7R1.1 C1C[C@@H](OC1)CN L14410 [0,0,0,1,0,0|2,0,0]=3 255 B7R1.1 C1C[C@@H](OC1)CO L19044 [0,0,0,1,0,0|1,0,0]=2 256 B7R1.1 C1C[C@H](NC1)CO L09779 [0,0,0,1,0,0|1,0,0]=2 257 B7R1.1 C1C[C@H](OC1)CN L10790 [0,0,0,1,0,0|2,0,0]=3 258 B7R1.1 CCC1=NCCO1 B23287 [0,0,0,1,0,0|1,0,2]=4 259 B7R1.3 C1CC(CNC1)F L19776 [0,0,0,1,0,0|2,0,0]=3 260 B7R1.3 C1CC(CNC1)N H57306 [0,0,0,1,0,0|2,0,0]=3 261 B7R1.3 C1CC(CNC1)O H55983 [0,0,0,1,0,0|1,0,0]=2 262 B7R1.3 C1CC(CNC1)O L01333 [0,0,0,1,0,0|1,0,0]=2 263 B7R1.3 C1CCC(CC1)Br 31031 [0,0,0,1,0,0|3,0,0]=4 264 B7R1.3 C1CCC(CC1)Br A11593 [0,0,0,1,0,0|3,0,0]=4 265 B7R1.3 C1CCC(CC1)Cl L04349 [0,0,0,1,0,0|3,0,0]=4 266 B7R1.3 C1CCC(CC1)F L13015 [0,0,0,1,0,0|3,0,0]=4 267 B7R1.3 C1CCC(CC1)I B24840 [0,0,0,1,0,0|3,0,0]=4 268 B7R1.3 C1CCC(CC1)N A15851 [0,0,0,1,0,0|3,0,0]=4 269 B7R1.3 C1CCC(CC1)N A17308 [0,0,0,1,0,0|3,0,0]=4 270 B7R1.3 C1CCC(CC1)N A18439 [0,0,0,1,0,0|3,0,0]=4 271 B7R1.3 C1CCC(CC1)O A17576 [0,0,0,1,0,0|2,0,0]=3 272 B7R1.3 C1CCC(CC1)S 39540 [0,0,0,1,0,0|2,1,0]=4 273 B7R1.3 C1CCC(CC1)S B21656 [0,0,0,1,0,0|2,1,0]=4 274 B7R1.3 C1CCC(CC1)[Mg+] H51165 [0,0,0,1,0,0|3,0,0]=4 275 B7R1.3 C1CCC(CC1)[Zn+] H58852 [0,0,0,1,0,0|3,0,0]=4 276 B7R1.3 C1CCOC(=O)C1 L04794 [0,0,0,1,0,0|1,0,2]=4 277 B7R1.3 C1CNC(=O)CN1 B24131 [0,0,0,1,0,0|1,0,2]=4 278 B7R1.3 C1CNCCC1O B22723 [0,0,0,1,0,0|3,0,0]=4 279 B7R1.3 C1C[C@@H](CNC1)N H27700 [0,0,0,1,0,0|2,0,0]=3 280 B7R1.3 C1C[C@H](CNC1)N H27683 [0,0,0,1,0,0|2,0,0]=3 281 B7R1.3 C1C[C@H](CNC1)O H56847 [0,0,0,1,0,0|1,0,0]=2 282 B7R1.3 CC1CCCCC1 31861 [0,0,0,1,0,0|3,0,0]=4 283 B7R1.3 CC1CCCCC1 A16057 [0,0,0,1,0,0|3,0,0]=4 284 B7R1.3 CC1CCCCN1 L02567 [0,0,0,1,0,0|3,0,0]=4 285 B7R1.3 CC1CCCNC1 L13408 [0,0,0,1,0,0|2,0,0]=3 286 B7R1.3 CC1CNCCN1 B24405 [0,0,0,1,0,0|2,0,0]=3 287 B7R1.3 C[C@@H]1CNCCN1 B22366 [0,0,0,1,0,0|2,0,0]=3 288 B7R1.3 C[C@@H]1CNCCN1 L20074 [0,0,0,1,0,0|2,0,0]=3 289 B7R1.3 C[C@H]1CNCCN1 L14429 [0,0,0,1,0,0|2,0,0]=3 290 B7R1.3 C[C@H]1CNCCN1 L20075 [0,0,0,1,0,0|2,0,0]=3 291 B7R1.4 CC1CCCC1O A19978 [0,0,0,1,0,0|2,0,0]=3 292 B7R1.7 CCCCC1CO1 L07609 [0,0,0,1,0,0|2,0,0]=3 293 B7R1.24 C1CCC=CCC1 H29062 [0,0,0,1,0,0|3,0,0]=4 294 B7R1.24 C1CCCCCC1 B22902 [0,0,0,1,0,0|3,0,0]=4 295 B7R1.24 C1CCCNCC1 B24007 [0,0,0,1,0,0|2,0,0]=3 296 B7R1.24 C1CCCOCC1 L09992 [0,0,0,1,0,0|2,0,0]=3 297 B7R1.24 C1CNCCNC1 A15751 [0,0,0,1,0,0|2,0,0]=3 298 B7R1.24 C1CNCCOC1 B21749 [0,0,0,1,0,0|1,0,0]=2 299 B4R0.2 C#CCCO A11477 [2,0,0,0,0,0|0,0,2]=4 300 B4R0.2 C(CBr)CBr A14687 [2,0,0,0,0,0|2,0,0]=4 301 B4R0.2 C(CCl)CBr A11395 [2,0,0,0,0,0|2,0,0]=4 302 B4R0.2 C(CCl)CCl 36685 [2,0,0,0,0,0|2,0,0]=4 303 B4R0.2 C(CCl)CI A13489 [2,0,0,0,0,0|2,0,0]=4 304 B4R0.2 C(CF)CF L12351 [2,0,0,0,0,0|2,0,0]=4 305 B4R0.2 C(CI)CI A10616 [2,0,0,0,0,0|2,0,0]=4 306 B4R0.2 C(CN)CBr B23254 [2,0,0,0,0,0|2,0,0]=4 307 B4R0.2 C(CN)CCl A15415 [2,0,0,0,0,0|2,0,0]=4 308 B4R0.2 C(CN)CN A11932 [2,0,0,0,0,0|2,0,0]=4 309 B4R0.2 C(CN)CO B23041 [2,0,0,0,0,0|1,0,0]=3 310 B4R0.2 C(CO)C#N L12570 [2,0,0,0,0,0|1,0,1]=4 311 B4R0.2 C(CO)CBr B22857 [2,0,0,0,0,0|1,0,0]=3 312 B4R0.2 C(CO)CCl A16871 [2,0,0,0,0,0|1,0,0]=3 313 B4R0.2 C(CO)CO A10829 [2,0,0,0,0,0|0,0,0]=2 314 B4R0.2 C(CO)NN 43793 [2,0,0,0,0,0|1,0,0]=3 315 B4R0.2 C(CS)CS A15261 [2,0,0,0,0,0|0,2,0]=4 316 B4R0.2 C=CCCO L00767 [2,0,0,0,0,0|0,0,2]=4 317 B4R0.2 CC#CCO A15709 [2,0,0,0,0,0|0,0,2]=4 318 B4R0.2 CCC#CC L02973 [2,0,0,0,0,0|1,0,1]=4 319 B4R0.2 CCCC#C L02479 [2,0,0,0,0,0|1,0,1]=4 320 B4R0.2 CCCC#N L02999 [2,0,0,0,0,0|1,0,1]=4 321 B4R0.2 CCCC=C A16723 [2,0,0,0,0,0|1,0,1]=4 322 B4R0.2 CCCC=O A18243 [2,0,0,0,0,0|0,0,2]=4 323 B4R0.2 CCCCBr A10696 [2,0,0,0,0,0|1,0,0]=3 324 B4R0.2 CCCCC 17381 [2,0,0,0,0,0|1,0,0]=3 325 B4R0.2 CCCCC 22907 [2,0,0,0,0,0|1,0,0]=3 326 B4R0.2 CCCCC 32449 [2,0,0,0,0,0|1,0,0]=3 327 B4R0.2 CCCCC 40981 [2,0,0,0,0,0|1,0,0]=3 328 B4R0.2 CCCCC 44255 [2,0,0,0,0,0|1,0,0]=3 329 B4R0.2 CCCCC 47115 [2,0,0,0,0,0|1,0,0]=3 330 B4R0.2 CCCCC H27427 [2,0,0,0,0,0|1,0,0]=3 331 B4R0.2 CCCCCl 39198 [2,0,0,0,0,0|1,0,0]=3 332 B4R0.2 CCCCCl A11494 [2,0,0,0,0,0|1,0,0]=3 333 B4R0.2 CCCCI A12340 [2,0,0,0,0,0|1,0,0]=3 334 B4R0.2 CCCCN L03575 [2,0,0,0,0,0|1,0,0]=3 335 B4R0.2 CCCCO 22925 [2,0,0,0,0,0|0,0,0]=2 336 B4R0.2 CCCCO 31068 [2,0,0,0,0,0|0,0,0]=2 337 B4R0.2 CCCCO 32443 [2,0,0,0,0,0|0,0,0]=2 338 B4R0.2 CCCCO 41867 [2,0,0,0,0,0|0,0,0]=2 339 B4R0.2 CCCCO L13171 [2,0,0,0,0,0|0,0,0]=2 340 B4R0.2 CCCCS 43421 [2,0,0,0,0,0|0,1,0]=3 341 B4R0.2 CCCC[Mg+] 41676 [2,0,0,0,0,0|1,0,0]=3 342 B4R0.2 CCCC[Mg+] 46117 [2,0,0,0,0,0|1,0,0]=3 343 B4R0.2 CCCC[O-] 33496 [2,0,0,0,0,0|0,0,1]=3 344 B4R0.2 CCCC[O-] 36570 [2,0,0,0,0,0|0,0,1]=3 345 B4R0.2 CCCC[O-] 40816 [2,0,0,0,0,0|0,0,1]=3 346 B4R0.2 CCCC[O-] 43295 [2,0,0,0,0,0|0,0,1]=3 347 B4R0.2 CCCC[O-] 44209 [2,0,0,0,0,0|0,0,1]=3 348 B4R0.2 CCCC[O-] 77124 [2,0,0,0,0,0|0,0,1]=3 349 B4R0.2 CCCC[O-] 87754 [2,0,0,0,0,0|0,0,1]=3 350 B4R0.2 CCCC[O-] B23317 [2,0,0,0,0,0|0,0,1]=3 351 B4R0.2 CCCC[Sn+3] 71125 [2,0,0,0,0,0|1,0,0]=3 352 B4R0.2 CCCC[Zn+] H58121 [2,0,0,0,0,0|1,0,0]=3 353 B4R0.2 CCCNC A16903 [2,0,0,0,0,0|1,0,0]=3 354 B4R0.2 CCCSC L09346 [2,0,0,0,0,0|2,0,0]=4 355 B4R0.2 CCNCC A10452 [2,0,0,0,0,0|0,0,0]=2 356 B4R0.2 CCNCC A11716 [2,0,0,0,0,0|0,0,0]=2 357 B4R0.2 CCNCC A13637 [2,0,0,0,0,0|0,0,0]=2 358 B4R0.2 CCOCC 16767 [2,0,0,0,0,0|1,0,0]=3 359 B4R0.2 CCOCC 33224 [2,0,0,0,0,0|1,0,0]=3 360 B4R0.2 CCOCC 38990 [2,0,0,0,0,0|1,0,0]=3 361 B4R0.2 CCOCC 40976 [2,0,0,0,0,0|1,0,0]=3 362 B4R0.2 CCOCC 41796 [2,0,0,0,0,0|1,0,0]=3 363 B4R0.2 CCOCC A15275 [2,0,0,0,0,0|1,0,0]=3 364 B4R0.2 CCOCC H33678 [2,0,0,0,0,0|1,0,0]=3 365 B4R0.2 CCOCC L15481 [2,0,0,0,0,0|1,0,0]=3 366 B4R0.2 CCSCC 10482 [2,0,0,0,0,0|1,0,0]=3 367 B4R0.2 CCSCC 10484 [2,0,0,0,0,0|1,0,0]=3 368 B4R0.2 CCSCC L03493 [2,0,0,0,0,0|1,0,0]=3 369 B4R0.2 CC[Al+]CC 87625 [2,0,0,0,0,0|1,0,0]=3 370 B4R0.2 CC[Al+]CC 89035 [2,0,0,0,0,0|1,0,0]=3 371 B4R0.2 CC[N-]CC 40445 [2,0,0,0,0,0|0,0,1]=3 372 B4R0.2 CC[N-]CC 42759 [2,0,0,0,0,0|0,0,1]=3 373 B4R0.2 CC[N-]CC 42855 [2,0,0,0,0,0|0,0,1]=3 374 B4R0.2 CC[N-]CC 43419 [2,0,0,0,0,0|0,0,1]=3 375 B4R0.2 CC[SiH2]CC L16468 [2,0,0,0,0,0|1,0,0]=3 376 B4R0.2 CC[Sn+2]CC 71155 [2,0,0,0,0,0|1,0,0]=3 377 B4R0.2 CC[Zn]CC 39564 [2,0,0,0,0,0|1,0,0]=3 378 B4R0.2 CC[Zn]CC 44880 [2,0,0,0,0,0|1,0,0]=3 379 B4R0.2 CC[Zn]CC 89038 [2,0,0,0,0,0|1,0,0]=3 380 B4R0.2 CC\C=C\C A17736 [2,0,0,0,0,0|1,0,1]=4 381 B4R0.2 CC\C=C\C L09421 [2,0,0,0,0,0|1,0,1]=4 382 B4R0.2 CNCC#N H55215 [2,0,0,0,0,0|1,0,1]=4 383 B4R0.2 CNCC=C H27551 [2,0,0,0,0,0|1,0,1]=4 384 B4R0.2 CNCCN A12165 [2,0,0,0,0,0|1,0,0]=3 385 B4R0.2 CNCCO B23180 [2,0,0,0,0,0|0,0,0]=2 386 B4R0.2 COCCBr A15370 [2,0,0,0,0,0|2,0,0]=4 387 B4R0.2 COCCCl B24081 [2,0,0,0,0,0|2,0,0]=4 388 B4R0.2 COCCN B22924 [2,0,0,0,0,0|2,0,0]=4 389 B4R0.2 COCCO 31733 [2,0,0,0,0,0|1,0,0]=3 390 B4R0.2 COCCO 32444 [2,0,0,0,0,0|1,0,0]=3 391 B4R0.2 COCCO A17459 [2,0,0,0,0,0|1,0,0]=3 392 B4R0.2 COCC[O-] 40471 [2,0,0,0,0,0|1,0,1]=4 393 B4R0.2 COCC[O-] 41237 [2,0,0,0,0,0|1,0,1]=4 394 B4R0.2 COCC[O-] 41256 [2,0,0,0,0,0|1,0,1]=4 395 B4R0.2 COCC[O-] 41793 [2,0,0,0,0,0|1,0,1]=4 396 B4R0.2 COCC[O-] 42377 [2,0,0,0,0,0|1,0,1]=4 397 B4R0.2 COCC[O-] 42378 [2,0,0,0,0,0|1,0,1]=4 398 B4R0.2 COCC[O-] 42522 [2,0,0,0,0,0|1,0,1]=4 399 B4R0.2 COCC[O-] 42819 [2,0,0,0,0,0|1,0,1]=4 400 B4R0.2 COCC[O-] 43903 [2,0,0,0,0,0|1,0,1]=4 401 B4R0.2 COCC[O-] A13292 [2,0,0,0,0,0|1,0,1]=4 402 B4R0.2 CSCCN B22941 [2,0,0,0,0,0|2,0,0]=4 403 B4R0.2 CSCCO L05442 [2,0,0,0,0,0|1,0,0]=3 404 B4R0.2 C\C=C\CO A10681 [2,0,0,0,0,0|0,0,2]=4 405 B4R0.2 [Li]CCCC 41248 [2,0,0,0,0,0|1,0,0]=3 406 B4R0.2 [Li]CCCC 43314 [2,0,0,0,0,0|1,0,0]=3 407 B4R0.2 [Li]CCCC 44109 [2,0,0,0,0,0|1,0,0]=3 408 B4R0.2 [Li]CCCC 47107 [2,0,0,0,0,0|1,0,0]=3 409 B4R0.2 [Li]CCCC H66688 [2,0,0,0,0,0|1,0,0]=3 410 B4R0.2 [Li]CCCC L13559 [2,0,0,0,0,0|1,0,0]=3 411 B4R0.2 [Li]CCCC L14775 [2,0,0,0,0,0|1,0,0]=3 412 B6R0.1 C(C(=O)NCO)Cl A12247 [1,1,0,0,0,0|1,0,1]=4 413 B6R0.1 C(CO)C(CO)O L05138 [1,1,0,0,0,0|0,0,0]=2 414 B6R0.1 C(CO)[C@@H](CO)O L20258 [1,1,0,0,0,0|0,0,0]=2 415 B6R0.1 CCC(C)CCO B22356 [1,1,0,0,0,0|1,0,0]=3 416 B6R0.1 CCCC(=O)CC B20791 [1,1,0,0,0,0|2,0,0]=4 417 B6R0.1 CCCC(CC)Br L00818 [1,1,0,0,0,0|2,0,0]=4 418 B6R0.1 CCCC(CC)O B20210 [1,1,0,0,0,0|2,0,0]=4 419 B6R0.1 CCCC(CC)[Zn+] H58535 [1,1,0,0,0,0|2,0,0]=4 420 B6R0.1 CCOC(=O)CO 41475 [1,1,0,0,0,0|1,0,1]=4 421 B6R0.1 CNCC(CO)O L12653 [1,1,0,0,0,0|2,0,0]=4 422 B6R0.1 COCC(CO)O L08011 [1,1,0,0,0,0|2,0,0]=4 423 B6R0.4 B(CCCC)(O)O A13725 [1,1,0,0,0,0|2,0,0]=4 424 B6R0.4 C(CC(=O)O)CBr A12870 [1,1,0,0,0,0|1,0,1]=4 425 B6R0.4 C(CC(=O)O)CN A11016 [1,1,0,0,0,0|1,0,1]=4 426 B6R0.4 C(COS(=O)O)O H60133 [1,1,0,0,0,0|2,0,0]=4 427 B6R0.4 CC(=O)NCCCl A11802 [1,1,0,0,0,0|1,0,1]=4 428 B6R0.4 CC(=O)NCCN L13398 [1,1,0,0,0,0|1,0,1]=4 429 B6R0.4 CC(=O)NCCO A18638 [1,1,0,0,0,0|0,0,1]=3 430 B6R0.4 CC(C)NCCN B23391 [1,1,0,0,0,0|1,0,0]=3 431 B6R0.4 CC(C)OCCO L13241 [1,1,0,0,0,0|1,0,0]=3 432 B6R0.4 CC(C)SCCO L05312 [1,1,0,0,0,0|1,0,0]=3 433 B6R0.4 CC(CCCBr)Br L09842 [1,1,0,0,0,0|2,0,0]=4 434 B6R0.4 CCC#CC(C)O L11576 [1,1,0,0,0,0|1,0,1]=4 435 B6R0.4 CCCCC(=O)O A16238 [1,1,0,0,0,0|1,0,1]=4 436 B6R0.4 CCCCC(C)Br L03364 [1,1,0,0,0,0|2,0,0]=4 437 B6R0.4 CCCCC(C)O L05993 [1,1,0,0,0,0|1,0,0]=3 438 B6R0.4 CCCCC(C)[Zn+] H58543 [1,1,0,0,0,0|2,0,0]=4 439 B6R0.4 CCCC[C@@H](C)N L19304 [1,1,0,0,0,0|2,0,0]=4 440 B6R0.4 CCCC[C@H](C)N L19305 [1,1,0,0,0,0|2,0,0]=4 441 B6R0.4 CCCC[C@H](C)O L10401 [1,1,0,0,0,0|1,0,0]=3 442 B6R0.4 CCCC[Sn](=O)O A18290 [1,1,0,0,0,0|2,0,0]=4 443 B6R0.4 CCCNC(C)C H50256 [1,1,0,0,0,0|1,0,0]=3 444 B6R0.4 CCOCC(=O)O B24194 [1,1,0,0,0,0|1,0,1]=4 445 B6R0.4 CCOCC(C)O 43306 [1,1,0,0,0,0|1,0,0]=3 446 B6R0.4 CCSCC(=O)O L04743 [1,1,0,0,0,0|1,0,1]=4 447 B6R0.4 CN(C)CCCO A12800 [1,1,0,0,0,0|2,0,0]=4 448 B8R0.1 CCCCN(C)CCO H50337 [0,2,0,0,0,0|1,0,0]=3 449 B8R0.4 C(CCCO)CCCBr H54762 [0,2,0,0,0,0|2,0,0]=4 450 B8R0.4 C(CCCO)CCCO L06384 [0,2,0,0,0,0|1,0,0]=3 451 B8R0.4 C(CNCCC#N)C#N A19959 [0,2,0,0,0,0|2,0,0]=4 452 B8R0.4 CCCCC#CCCO L05414 [0,2,0,0,0,0|2,0,0]=4 453 B8R0.4 CCCCCC#CCO L05596 [0,2,0,0,0,0|2,0,0]=4 454 B8R0.4 CCCCCCCCO A15977 [0,2,0,0,0,0|2,0,0]=4 455 B8R0.4 CCCCCCCCO H36188 [0,2,0,0,0,0|2,0,0]=4 456 B8R0.4 CCCCCCOC=O L06226 [0,2,0,0,0,0|2,0,0]=4 457 B8R0.4 CCCCCSCCO B22772 [0,2,0,0,0,0|2,0,0]=4 458 B8R0.4 CCCCC\C=C\CO A15960 [0,2,0,0,0,0|2,0,0]=4 459 B8R0.4 CCCCNCCCC A11671 [0,2,0,0,0,0|2,0,0]=4 460 B8R0.4 CCCC\C=C/CCO A19014 [0,2,0,0,0,0|2,0,0]=4 461 B8R0.4 CCOCCOCCBr L08522 [0,2,0,0,0,0|2,0,0]=4 462 B8R0.4 CCOCCOCCO A14670 [0,2,0,0,0,0|1,0,0]=3 463 B8R0.4 CC\C=C/CCCCO A19454 [0,2,0,0,0,0|2,0,0]=4 464 B8R0.4 COCCOCCOC A13397 [0,2,0,0,0,0|1,0,0]=3 465 B8R0.6 C(CCO)CC(CO)O L06032 [0,2,0,0,0,0|1,0,0]=3 466 B8R0.6 CCCCCC(C#C)O A13267 [0,2,0,0,0,0|2,0,0]=4 467 B8R0.6 CCCCCC(C=C)O A12079 [0,2,0,0,0,0|2,0,0]=4 468 B8R0.6 CCCCCC(CC)O A14488 [0,2,0,0,0,0|2,0,0]=4 469 B8R0.6 CCCCC[C@@H](C#C)O L19046 [0,2,0,0,0,0|2,0,0]=4 470 B8R0.6 CCCCC[C@H](C#C)O L19045 [0,2,0,0,0,0|2,0,0]=4 471 B8R0.6 CCCCC[C@H](CC)O H66963 [0,2,0,0,0,0|2,0,0]=4 472 B8R0.7 B(CCCCCC)(O)O B22446 [0,2,0,0,0,0|2,0,0]=4 473 B8R0.7 C(CCC(=O)O)CCBr A15761 [0,2,0,0,0,0|2,0,0]=4 474 B8R0.7 C(CCC(=O)O)CCN A14719 [0,2,0,0,0,0|2,0,0]=4 475 B8R0.7 C(CCC(=O)O)CCO B24857 [0,2,0,0,0,0|1,0,0]=3 476 B8R0.7 C(CNCC(=O)O)C#N A18199 [0,2,0,0,0,0|1,0,1]=4 477 B8R0.7 CCCCCCC(=O)O A17704 [0,2,0,0,0,0|2,0,0]=4 478 B8R0.7 CCCCCCC(C)O A16985 [0,2,0,0,0,0|2,0,0]=4 479 B8R0.7 CCCCCC[C@@H](C)O L11502 [0,2,0,0,0,0|2,0,0]=4 480 B8R0.7 CCCCCC[C@H](C)O L12425 [0,2,0,0,0,0|2,0,0]=4 481 B8R0.7 COCCOCC(=O)O L20090 [0,2,0,0,0,0|1,0,1]=4 482 B8R0.3 CCCC(C(CO)O)O H27180 [0,2,0,0,0,0|2,0,0]=4 483 B8R0.9 CC(CO)OCC(C)O A18716 [0,2,0,0,0,0|1,0,0]=3 484 B8R0.11 CCCCC(CC)CO A17104 [0,2,0,0,0,0|2,0,0]=4 485 B8R0.11 CCCCC(CO)CO B21739 [0,2,0,0,0,0|2,0,0]=4 486 B8R0.19 CCC(C)NC(C)CC B25690 [0,2,0,0,0,0|2,0,0]=4 487 B8R0.28 C(C(=O)O)NCC(=O)O A11510 [0,2,0,0,0,0|0,0,2]=4 488 B8R0.28 CC(C)CNCC(C)C L15495 [0,2,0,0,0,0|2,0,0]=4 489 B8R0.28 CC(CNCC(C)O)O A18451 [0,2,0,0,0,0|0,0,0]=2 490 B8R0.22 CCCC(CCO)SC B21786 [0,2,0,0,0,0|2,0,0]=4 491 B8R0.22 CCCN(CCC)C=O L08854 [0,2,0,0,0,0|2,0,0]=4 492 B6R1.1 C1CC=COC1 L02731 [1,0,0,1,0,0|1,0,1]=4 493 B6R1.1 C1CCC=CC1 A11359 [1,0,0,1,0,0|2,0,0]=4 494 B6R1.1 C1CCCCC1 22864 [1,0,0,1,0,0|2,0,0]=4 495 B6R1.1 C1CCCCC1 22919 [1,0,0,1,0,0|2,0,0]=4 496 B6R1.1 C1CCCCC1 40975 [1,0,0,1,0,0|2,0,0]=4 497 B6R1.1 C1CCCCC1 A16070 [1,0,0,1,0,0|2,0,0]=4 498 B6R1.1 C1CCCCC1 H26081 [1,0,0,1,0,0|2,0,0]=4 499 B6R1.1 C1CCNCC1 A12442 [1,0,0,1,0,0|1,0,0]=3 500 B6R1.1 C1CCNCC1 A13243 [1,0,0,1,0,0|1,0,0]=3 501 B6R1.1 C1CCOCC1 A13392 [1,0,0,1,0,0|1,0,0]=3 502 B6R1.1 C1CCSCC1 L03063 [1,0,0,1,0,0|1,1,0]=4 503 B6R1.1 C1CNCCN1 A11487 [1,0,0,1,0,0|1,0,0]=3 504 B6R1.1 C1CNCCN1 A15049 [1,0,0,1,0,0|1,0,0]=3 505 B6R1.1 C1CNCCN1 A16050 [1,0,0,1,0,0|1,0,0]=3 506 B6R1.1 C1CNCCN1 A18520 [1,0,0,1,0,0|1,0,0]=3 507 B6R1.1 C1CNCCN1 H37069 [1,0,0,1,0,0|1,0,0]=3 508 B6R1.1 C1CNCCN1 L19359 [1,0,0,1,0,0|1,0,0]=3 509 B6R1.1 C1COCCN1 31984 [1,0,0,1,0,0|0,0,0]=2 510 B6R1.1 C1COCCN1 A10355 [1,0,0,1,0,0|0,0,0]=2 511 B6R1.1 C1COCCN1 L15110 [1,0,0,1,0,0|0,0,0]=2 512 B6R1.1 C1COCCO1 22913 [1,0,0,1,0,0|1,0,0]=3 513 B6R1.1 C1COCCO1 39118 [1,0,0,1,0,0|1,0,0]=3 514 B6R1.1 C1COCCO1 43167 [1,0,0,1,0,0|1,0,0]=3 515 B6R1.1 C1COCCO1 43821 [1,0,0,1,0,0|1,0,0]=3 516 B6R1.1 C1COCCO1 A14188 [1,0,0,1,0,0|1,0,0]=3 517 B6R1.1 C1COCOC1 H54107 [1,0,0,1,0,0|2,0,0]=4 518 B6R1.1 C1CSCCN1 A15958 [1,0,0,1,0,0|0,1,0]=3 519 B6R1.1 C1CSCCN1 L19470 [1,0,0,1,0,0|0,1,0]=3 520 B6R1.1 C1CSCCO1 A18052 [1,0,0,1,0,0|1,0,0]=3 521 B6R1.2 C1CC(=O)OC1 A16314 [1,0,0,1,0,0|0,0,2]=4 522 B6R1.2 C1CCC(C1)Br A15455 [1,0,0,1,0,0|2,0,0]=4 523 B6R1.2 C1CCC(C1)Cl B25023 [1,0,0,1,0,0|2,0,0]=4 524 B6R1.2 C1CCC(C1)I L01522 [1,0,0,1,0,0|2,0,0]=4 525 B6R1.2 C1CCC(C1)N L01966 [1,0,0,1,0,0|2,0,0]=4 526 B6R1.2 C1CCC(C1)O A15249 [1,0,0,1,0,0|1,0,0]=3 527 B6R1.2 C1CCC(C1)S 39539 [1,0,0,1,0,0|1,1,0]=4 528 B6R1.2 C1CCC(C1)S L03577 [1,0,0,1,0,0|1,1,0]=4 529 B6R1.2 C1CCC(C1)[Mg+] H51166 [1,0,0,1,0,0|2,0,0]=4 530 B6R1.2 C1CCC(C1)[Zn+] H58764 [1,0,0,1,0,0|2,0,0]=4 531 B6R1.2 C1CNCC1Br H66833 [1,0,0,1,0,0|1,0,0]=3 532 B6R1.2 C1CNCC1O H64975 [1,0,0,1,0,0|0,0,0]=2 533 B6R1.2 C1CNC[C@@H]1F H26947 [1,0,0,1,0,0|1,0,0]=3 534 B6R1.2 C1CNC[C@@H]1N L11173 [1,0,0,1,0,0|1,0,0]=3 535 B6R1.2 C1CNC[C@@H]1O H52743 [1,0,0,1,0,0|0,0,0]=2 536 B6R1.2 C1CNC[C@@H]1O L19499 [1,0,0,1,0,0|0,0,0]=2 537 B6R1.2 C1CNC[C@H]1F H27536 [1,0,0,1,0,0|1,0,0]=3 538 B6R1.2 C1CNC[C@H]1N L12222 [1,0,0,1,0,0|1,0,0]=3 539 B6R1.2 C1CNC[C@H]1N L19500 [1,0,0,1,0,0|1,0,0]=3 540 B6R1.2 C1CNC[C@H]1O H52815 [1,0,0,1,0,0|0,0,0]=2 541 B6R1.2 C1CNC[C@H]1O L19498 [1,0,0,1,0,0|0,0,0]=2 542 B6R1.2 C1COC(=O)N1 A14543 [1,0,0,1,0,0|0,0,2]=4 543 B6R1.2 C1COC[C@@H]1O H56307 [1,0,0,1,0,0|1,0,0]=3 544 B6R1.2 C1COC[C@H]1N H66034 [1,0,0,1,0,0|2,0,0]=4 545 B6R1.2 C1COC[C@H]1O H56476 [1,0,0,1,0,0|1,0,0]=3 546 B6R1.2 CC1=NCCN1 A15113 [1,0,0,1,0,0|1,0,1]=4 547 B6R1.2 CC1=NCCO1 B24612 [1,0,0,1,0,0|0,0,2]=4 548 B6R1.2 CC1CCCC1 L03988 [1,0,0,1,0,0|2,0,0]=4 549 B6R1.2 CC1CCCN1 31902 [1,0,0,1,0,0|1,0,0]=3 550 B6R1.2 CC1CCCO1 L07356 [1,0,0,1,0,0|1,0,0]=3 551 B6R1.2 CC1CCCS1 43456 [1,0,0,1,0,0|1,1,0]=4 552 B6R1.2 CC1NCCS1 B22537 [1,0,0,1,0,0|0,1,0]=3 553 B6R1.2 CC1OCCO1 A12824 [1,0,0,1,0,0|1,0,0]=3 554 B6R1.2 CC1SCCS1 B23372 [1,0,0,1,0,0|1,1,0]=4 555 B6R1.2 C[C@@H]1CCCN1 H57885 [1,0,0,1,0,0|1,0,0]=3 556 B6R1.3 C1CC1CCO L11080 [1,0,0,1,0,0|1,0,0]=3 557 B6R1.6 C1C(CN1)CO H57801 [1,0,0,1,0,0|2,0,0]=4 558 B6R1.6 C1C(CO1)CO H66333 [1,0,0,1,0,0|2,0,0]=4 559 B6R1.6 C1CC(C1)CO B21480 [1,0,0,1,0,0|1,0,0]=3 560 B6R1.6 C1COC1CBr H66276 [1,0,0,1,0,0|1,0,0]=3 561 B6R1.6 C1COC1CI H66525 [1,0,0,1,0,0|1,0,0]=3 562 B6R1.6 C1COC1CO H66218 [1,0,0,1,0,0|0,0,0]=2 563 B6R1.8 CC1CC1CO H27337 [1,0,0,1,0,0|1,0,0]=3 564 B8R1.2 C1CC(CNC1)CO L04264 [0,1,0,1,0,0|1,0,0]=3 565 B8R1.2 C1CC(OC=C1)CO H56124 [0,1,0,1,0,0|1,0,1]=4 566 B8R1.2 C1CCC(CC1)CO L06538 [0,1,0,1,0,0|2,0,0]=4 567 B8R1.2 C1CCC(CC1)NO L03569 [0,1,0,1,0,0|2,0,0]=4 568 B8R1.2 C1CCNC(C1)CN L20122 [0,1,0,1,0,0|2,0,0]=4 569 B8R1.2 C1CCNC(C1)CO H60178 [0,1,0,1,0,0|1,0,0]=3 570 B8R1.2 C1CCOC(C1)CCl L07725 [0,1,0,1,0,0|2,0,0]=4 571 B8R1.2 C1CCOC(C1)CO L17417 [0,1,0,1,0,0|1,0,0]=3 572 B8R1.2 C1CNCCC1CO L17964 [0,1,0,1,0,0|2,0,0]=4 573 B8R1.2 C1COC(CN1)CO H64154 [0,1,0,1,0,0|0,0,0]=2 574 B8R1.2 C1COCCC1CO H64568 [0,1,0,1,0,0|2,0,0]=4 575 B8R1.2 C1CO[C@H](CN1)CO H64003 [0,1,0,1,0,0|0,0,0]=2 576 B8R1.2 COC1CCCNC1 H51138 [0,1,0,1,0,0|1,0,0]=3 577 B8R1.5 C1CCC(C(C1)O)O A18572 [0,1,0,1,0,0|1,0,0]=3 578 B8R1.5 C1CC[C@H]([C@@H](C1)N)O B22324 [0,1,0,1,0,0|2,0,0]=4 579 B8R1.5 C1CC[C@H]([C@@H](C1)O)F H26031 [0,1,0,1,0,0|2,0,0]=4 580 B8R1.5 C1CC[C@H]([C@@H](C1)O)O L07088 [0,1,0,1,0,0|1,0,0]=3 581 B8R1.5 C1COC(C(O1)O)O L19210 [0,1,0,1,0,0|1,0,0]=3 582 B8R1.5 CC1C(NCCN1)C H26252 [0,1,0,1,0,0|2,0,0]=4 583 B8R1.5 CC1CCCCC1O A12877 [0,1,0,1,0,0|2,0,0]=4 584 B8R1.8 C1CCC(C1)CCO B22344 [0,1,0,1,0,0|2,0,0]=4 585 B8R1.8 C1CCN(C1)CCCl B22236 [0,1,0,1,0,0|2,0,0]=4 586 B8R1.8 C1CCN(C1)CCN B24645 [0,1,0,1,0,0|2,0,0]=4 587 B8R1.8 C1CCN(C1)CCO H60368 [0,1,0,1,0,0|1,0,0]=3 588 B8R1.8 C1COC(O1)CCBr A11441 [0,1,0,1,0,0|2,0,0]=4 589 B8R1.8 C1COC(O1)CC[Zn+] H58916 [0,1,0,1,0,0|2,0,0]=4 590 B8R1.8 COC[C@@H]1CCCN1 L09608 [0,1,0,1,0,0|1,0,0]=3 591 B8R1.8 COC[C@H]1CCCN1 L19492 [0,1,0,1,0,0|1,0,0]=3 592 B8R1.11 CN1CCC[C@H]1CO H62573 [0,1,0,1,0,0|1,0,0]=3 593 B8R1.22 C1CC(=O)CCNC1 H66355 [0,1,0,1,0,0|1,0,1]=4 594 B8R1.22 C1CCC(=O)OCC1 A10299 [0,1,0,1,0,0|1,0,1]=4 595 B8R1.22 C1CNCCNC1=O H26990 [0,1,0,1,0,0|1,0,1]=4 596 B8R1.22 C1COCCNC1=O B22406 [0,1,0,1,0,0|1,0,1]=4 597 B8R1.22 CN1CCCNCC1 H55441 [0,1,0,1,0,0|2,0,0]=4 598 B8R1.1 C1CC(=O)N[C@@H]1CO L18359 [0,1,0,1,0,0|1,0,1]=4 599 B8R1.1 C1CC(=O)N[C@H]1CO L18358 [0,1,0,1,0,0|1,0,1]=4 600 B8R1.1 CCC1OCC(O1)C H31933 [0,1,0,1,0,0|2,0,0]=4 601 B8R1.1 CCC1OCC(O1)C H32187 [0,1,0,1,0,0|2,0,0]=4 602 B8R1.3 C1C(SCC(S1)O)O A14620 [0,1,0,1,0,0|1,1,0]=4 603 B8R1.3 C1CC(CCC1O)O B20446 [0,1,0,1,0,0|2,0,0]=4 604 B8R1.3 C1[C@@H](CC[C@@H](C1)O)N H66110 [0,1,0,1,0,0|2,0,0]=4 605 B8R1.3 C1[C@@H](CC[C@H](C1)O)N B22365 [0,1,0,1,0,0|2,0,0]=4 606 B8R1.3 C1[C@@H](CC[C@H](C1)O)N B25070 [0,1,0,1,0,0|2,0,0]=4 607 B8R1.3 CC1CCC(CC1)O A16734 [0,1,0,1,0,0|2,0,0]=4 608 B8R1.3 C[C@@H]1CN[C@H](CN1)C B23150 [0,1,0,1,0,0|2,0,0]=4 609 B8R1.3 C[C@H]1CC[C@@H](CC1)O B20054 [0,1,0,1,0,0|2,0,0]=4 610 B8R1.3 C[C@H]1CC[C@H](CC1)O B20792 [0,1,0,1,0,0|2,0,0]=4 611 B8R1.50 CC1CCC(C1O)O B20440 [0,1,0,1,0,0|1,0,0]=3 612 B8R1.4 C1CC(CC(C1)O)O L04110 [0,1,0,1,0,0|1,0,0]=3 613 B8R1.4 CC1CC(CNC1)C B23435 [0,1,0,1,0,0|2,0,0]=4 614 B8R1.4 CC1CNCC(O1)C H25954 [0,1,0,1,0,0|1,0,0]=3 615 B8R1.4 CN1CCCC(C1)O L10829 [0,1,0,1,0,0|1,0,0]=3 616 B8R1.4 C[C@@H]1CNC[C@@H](N1)C L15684 [0,1,0,1,0,0|2,0,0]=4 617 B8R1.4 C[C@@H]1CNC[C@@H](O1)C L13007 [0,1,0,1,0,0|1,0,0]=3 618 B8R1.4 C[C@H]1CCC[C@H](C1)O B20288 [0,1,0,1,0,0|2,0,0]=4 619 B8R1.7 C1CC(NC1)C(=O)O A13137 [0,1,0,1,0,0|1,0,1]=4 620 B8R1.7 C1CC(OC1)C(=O)O B22927 [0,1,0,1,0,0|1,0,1]=4 621 B8R1.7 C1CSC(N1)C(=O)O A11564 [0,1,0,1,0,0|0,1,1]=4 622 B8R1.7 C1CS[C@H](N1)C(=O)O A15033 [0,1,0,1,0,0|0,1,1]=4 623 B8R1.7 C1C[C@@H](NC1)C(=O)O A10682 [0,1,0,1,0,0|1,0,1]=4 624 B8R1.7 C1C[C@@H](OC1)C(=O)O L19410 [0,1,0,1,0,0|1,0,1]=4 625 B8R1.7 C1C[C@H](NC1)C(=O)O A10199 [0,1,0,1,0,0|1,0,1]=4 626 B8R1.7 C1C[C@H](OC1)C(=O)O L19411 [0,1,0,1,0,0|1,0,1]=4 627 B8R1.7 CC(C1CCCC1)O L03446 [0,1,0,1,0,0|2,0,0]=4 628 B8R1.72 C1CC(CNC1)(F)F L19777 [0,1,0,1,0,0|2,0,0]=4 629 B8R1.72 CC1(CCCCC1)O L00967 [0,1,0,1,0,0|2,0,0]=4 630 B8R1.72 CC1(CCCNC1)C H25753 [0,1,0,1,0,0|2,0,0]=4 631 B8R2.34 C1CC2CCC1O2 B22612 [0,0,0,2,0,0|2,0,0]=4 632 B8R2.34 C1[C@H]2CNC1CN2 L20170 [0,0,0,2,0,0|2,0,0]=4 633 B8R2.25 C1CCC2C(C1)O2 A13185 [0,0,0,2,0,0|2,0,0]=4