0 B6R0.6 C#CCCCC#C A11318 [0,0,0,0,0,0|1,0,3]=4 1 B6R0.6 C#CCCCC#N L02604 [0,0,0,0,0,0|1,0,3]=4 2 B6R0.6 C#CCCCCCl H53476 [0,0,0,0,0,0|1,0,2]=3 3 B6R0.6 C#CCCCCO 43370 [0,0,0,0,0,0|0,0,2]=2 4 B6R0.6 C(CBr)OCCBr L11510 [0,0,0,0,0,0|3,0,0]=3 5 B6R0.6 C(CC#N)CC#N B23663 [0,0,0,0,0,0|2,0,2]=4 6 B6R0.6 C(CC=O)CC=O A10500 [0,0,0,0,0,0|1,0,3]=4 7 B6R0.6 C(CC=O)CC=O A17876 [0,0,0,0,0,0|1,0,3]=4 8 B6R0.6 C(CCBr)CC#N L03952 [0,0,0,0,0,0|2,0,1]=3 9 B6R0.6 C(CCBr)CCBr A18465 [0,0,0,0,0,0|2,0,0]=2 10 B6R0.6 C(CCCl)CC#N L01413 [0,0,0,0,0,0|2,0,1]=3 11 B6R0.6 C(CCCl)CCBr B20479 [0,0,0,0,0,0|2,0,0]=2 12 B6R0.6 C(CCCl)CCCl A12433 [0,0,0,0,0,0|2,0,0]=2 13 B6R0.6 C(CCCl)CCI L04469 [0,0,0,0,0,0|2,0,0]=2 14 B6R0.6 C(CCCl)CC[Zn+] H58957 [0,0,0,0,0,0|2,0,0]=2 15 B6R0.6 C(CCF)CCBr H64806 [0,0,0,0,0,0|2,0,0]=2 16 B6R0.6 C(CCI)CCI A17298 [0,0,0,0,0,0|2,0,0]=2 17 B6R0.6 C(CCN)CCN B23039 [0,0,0,0,0,0|2,0,0]=2 18 B6R0.6 C(CCN)CCO H33954 [0,0,0,0,0,0|1,0,0]=1 19 B6R0.6 C(CCN)CCO L01979 [0,0,0,0,0,0|1,0,0]=1 20 B6R0.6 C(CCO)CCCl L12088 [0,0,0,0,0,0|1,0,0]=1 21 B6R0.6 C(CCO)CCO A13998 [0,0,0,0,0,0|1,0,0]=1 22 B6R0.6 C(CCS)CCS B25665 [0,0,0,0,0,0|1,1,0]=2 23 B6R0.6 C(CC[Zn+])CC#N H58897 [0,0,0,0,0,0|2,0,1]=3 24 B6R0.6 C(CCl)NCCCl A13118 [0,0,0,0,0,0|3,0,0]=3 25 B6R0.6 C(CCl)OCCCl A14234 [0,0,0,0,0,0|3,0,0]=3 26 B6R0.6 C(CN=C=O)CCl L15993 [0,0,0,0,0,0|2,0,2]=4 27 B6R0.6 C(CNCCN)N A11033 [0,0,0,0,0,0|3,0,0]=3 28 B6R0.6 C(CNCCO)N A10833 [0,0,0,0,0,0|2,0,0]=2 29 B6R0.6 C(CO)NCCO A13389 [0,0,0,0,0,0|2,0,0]=2 30 B6R0.6 C(COCCCl)O A13074 [0,0,0,0,0,0|2,0,0]=2 31 B6R0.6 C(COCCN)N 46833 [0,0,0,0,0,0|3,0,0]=3 32 B6R0.6 C(COCCN)N 46903 [0,0,0,0,0,0|3,0,0]=3 33 B6R0.6 C(COCCN)N 46973 [0,0,0,0,0,0|3,0,0]=3 34 B6R0.6 C(COCCO)N L18897 [0,0,0,0,0,0|2,0,0]=2 35 B6R0.6 C(COCCO)O A14728 [0,0,0,0,0,0|2,0,0]=2 36 B6R0.6 C(CSCCS)S B22304 [0,0,0,0,0,0|2,1,0]=3 37 B6R0.6 C=CCCCC#N L10968 [0,0,0,0,0,0|1,0,3]=4 38 B6R0.6 C=CCCCCBr L12909 [0,0,0,0,0,0|1,0,2]=3 39 B6R0.6 C=CCCCCCl H53396 [0,0,0,0,0,0|1,0,2]=3 40 B6R0.6 C=CCCCCO A15766 [0,0,0,0,0,0|0,0,2]=2 41 B6R0.6 C=CCCCC[Zn+] H58622 [0,0,0,0,0,0|1,0,2]=3 42 B6R0.6 CCCC#CCC H53504 [0,0,0,0,0,0|1,0,2]=3 43 B6R0.6 CCCC#CCO A13339 [0,0,0,0,0,0|0,0,2]=2 44 B6R0.6 CCCCC#CC B21528 [0,0,0,0,0,0|1,0,2]=3 45 B6R0.6 CCCCCC#C A11130 [0,0,0,0,0,0|1,0,1]=2 46 B6R0.6 CCCCCC=C L11487 [0,0,0,0,0,0|1,0,1]=2 47 B6R0.6 CCCCCC=O A16265 [0,0,0,0,0,0|0,0,2]=2 48 B6R0.6 CCCCCCBr A15166 [0,0,0,0,0,0|1,0,0]=1 49 B6R0.6 CCCCCCC 22911 [0,0,0,0,0,0|1,0,0]=1 50 B6R0.6 CCCCCCC 32441 [0,0,0,0,0,0|1,0,0]=1 51 B6R0.6 CCCCCCC 40978 [0,0,0,0,0,0|1,0,0]=1 52 B6R0.6 CCCCCCC 44457 [0,0,0,0,0,0|1,0,0]=1 53 B6R0.6 CCCCCCC 47191 [0,0,0,0,0,0|1,0,0]=1 54 B6R0.6 CCCCCCC A19894 [0,0,0,0,0,0|1,0,0]=1 55 B6R0.6 CCCCCCC H33987 [0,0,0,0,0,0|1,0,0]=1 56 B6R0.6 CCCCCCCl B22379 [0,0,0,0,0,0|1,0,0]=1 57 B6R0.6 CCCCCCI A13784 [0,0,0,0,0,0|1,0,0]=1 58 B6R0.6 CCCCCCN A15663 [0,0,0,0,0,0|1,0,0]=1 59 B6R0.6 CCCCCCO A18232 [0,0,0,0,0,0|0,0,0]=0 60 B6R0.6 CCCCCCS L09659 [0,0,0,0,0,0|0,1,0]=1 61 B6R0.6 CCCCCC[Mg+] H51167 [0,0,0,0,0,0|1,0,0]=1 62 B6R0.6 CCCCCC[Zn+] H58384 [0,0,0,0,0,0|1,0,0]=1 63 B6R0.6 CCCCCNC L04882 [0,0,0,0,0,0|2,0,0]=2 64 B6R0.6 CCCCN=C=O L05664 [0,0,0,0,0,0|1,0,2]=3 65 B6R0.6 CCCCN=C=S A10935 [0,0,0,0,0,0|1,1,1]=3 66 B6R0.6 CCCCNCC B22881 [0,0,0,0,0,0|2,0,0]=2 67 B6R0.6 CCCCOC=C B23673 [0,0,0,0,0,0|2,0,1]=3 68 B6R0.6 CCCCOC=O A13882 [0,0,0,0,0,0|1,0,2]=3 69 B6R0.6 CCCCOCC A17963 [0,0,0,0,0,0|2,0,0]=2 70 B6R0.6 CCCCON=O H56501 [0,0,0,0,0,0|2,0,1]=3 71 B6R0.6 CCCNCCC L15808 [0,0,0,0,0,0|2,0,0]=2 72 B6R0.6 CCCNCCN L03517 [0,0,0,0,0,0|2,0,0]=2 73 B6R0.6 CCCOCCC B21423 [0,0,0,0,0,0|2,0,0]=2 74 B6R0.6 CCCSCCC B23155 [0,0,0,0,0,0|2,0,0]=2 75 B6R0.6 CCCSCCO L12528 [0,0,0,0,0,0|1,0,0]=1 76 B6R0.6 CCC\C=C/CO A13734 [0,0,0,0,0,0|0,0,2]=2 77 B6R0.6 CCC\C=C\C=O A11513 [0,0,0,0,0,0|0,0,4]=4 78 B6R0.6 CCC\C=C\CC B25297 [0,0,0,0,0,0|1,0,2]=3 79 B6R0.6 CCC\C=C\CC H53482 [0,0,0,0,0,0|1,0,2]=3 80 B6R0.6 CCC\C=C\CO A13272 [0,0,0,0,0,0|0,0,2]=2 81 B6R0.6 CCOCCC#N A14243 [0,0,0,0,0,0|2,0,1]=3 82 B6R0.6 CCOCCCN B23694 [0,0,0,0,0,0|2,0,0]=2 83 B6R0.6 CCOCCOC B20819 [0,0,0,0,0,0|3,0,0]=3 84 B6R0.6 CCOCOCC B23134 [0,0,0,0,0,0|3,0,0]=3 85 B6R0.6 CCSCCCO B22710 [0,0,0,0,0,0|1,0,0]=1 86 B6R0.6 CC\C=C/CCO A10313 [0,0,0,0,0,0|0,0,2]=2 87 B6R0.6 CC\C=C\CCO L10541 [0,0,0,0,0,0|0,0,2]=2 88 B6R0.6 CC\C=C\OCC H26720 [0,0,0,0,0,0|2,0,2]=4 89 B6R0.6 CNCCCNC A16901 [0,0,0,0,0,0|3,0,0]=3 90 B6R0.6 COCCCCO H50339 [0,0,0,0,0,0|1,0,0]=1 91 B6R0.6 COCCN=C=S L10839 [0,0,0,0,0,0|2,1,1]=4 92 B6R0.6 COCCOCCl L01050 [0,0,0,0,0,0|3,0,0]=3 93 B6R0.6 CSCCCCO B22673 [0,0,0,0,0,0|1,0,0]=1 94 B6R0.6 CSCCCSC B22397 [0,0,0,0,0,0|3,0,0]=3 95 B6R0.6 CSCSCSC H26435 [0,0,0,0,0,0|4,0,0]=4 96 B6R0.6 C\C=C/CCCO A19266 [0,0,0,0,0,0|0,0,2]=2 97 B6R0.6 C\C=C\C=C\CO A12660 [0,0,0,0,0,0|0,0,4]=4 98 B6R0.6 C\C=C\CCCO H54459 [0,0,0,0,0,0|0,0,2]=2 99 B6R0.6 [Li]CCCCCC 47271 [0,0,0,0,0,0|1,0,0]=1 100 B6R0.6 [Li]CCCCCC L15102 [0,0,0,0,0,0|1,0,0]=1 101 B5R0.2 C#CCCCCl L02835 [1,0,0,0,0,0|1,0,2]=4 102 B5R0.2 C#CCCCO A10405 [1,0,0,0,0,0|0,0,2]=3 103 B5R0.2 C(C#CCCl)O L20159 [1,0,0,0,0,0|1,0,2]=4 104 B5R0.2 C(C#CCO)O A14539 [1,0,0,0,0,0|1,0,2]=4 105 B5R0.2 C(CC#N)CBr A10674 [1,0,0,0,0,0|2,0,1]=4 106 B5R0.2 C(CC#N)CCl A18942 [1,0,0,0,0,0|2,0,1]=4 107 B5R0.2 C(CC#N)C[Zn+] H58962 [1,0,0,0,0,0|2,0,1]=4 108 B5R0.2 C(CCBr)CBr A11669 [1,0,0,0,0,0|2,0,0]=3 109 B5R0.2 C(CCBr)CCl A11399 [1,0,0,0,0,0|2,0,0]=3 110 B5R0.2 C(CCBr)CF H64317 [1,0,0,0,0,0|2,0,0]=3 111 B5R0.2 C(CCBr)CO 16805 [1,0,0,0,0,0|1,0,0]=2 112 B5R0.2 C(CCCl)CCl B21337 [1,0,0,0,0,0|2,0,0]=3 113 B5R0.2 C(CCCl)CO L04042 [1,0,0,0,0,0|1,0,0]=2 114 B5R0.2 C(CCI)CCl L03302 [1,0,0,0,0,0|2,0,0]=3 115 B5R0.2 C(CCI)CI A16216 [1,0,0,0,0,0|2,0,0]=3 116 B5R0.2 C(CCN)CN A18312 [1,0,0,0,0,0|2,0,0]=3 117 B5R0.2 C(CCN)CN B21316 [1,0,0,0,0,0|2,0,0]=3 118 B5R0.2 C(CCO)CN A12680 [1,0,0,0,0,0|1,0,0]=2 119 B5R0.2 C(CCO)CO L03491 [1,0,0,0,0,0|1,0,0]=2 120 B5R0.2 C(CC[Zn+])CCl H58266 [1,0,0,0,0,0|2,0,0]=3 121 B5R0.2 C(CO)NC=O H52345 [1,0,0,0,0,0|2,0,1]=4 122 B5R0.2 C(\C=C/CO)O A19182 [1,0,0,0,0,0|1,0,2]=4 123 B5R0.2 C=CCCCBr A11219 [1,0,0,0,0,0|1,0,2]=4 124 B5R0.2 C=CCCCO A11178 [1,0,0,0,0,0|0,0,2]=3 125 B5R0.2 C=CCCC[Zn+] H58177 [1,0,0,0,0,0|1,0,2]=4 126 B5R0.2 CC#CCCO L02951 [1,0,0,0,0,0|0,0,2]=3 127 B5R0.2 CCC#CCBr H53433 [1,0,0,0,0,0|1,0,2]=4 128 B5R0.2 CCC#CCC L02682 [1,0,0,0,0,0|0,0,2]=3 129 B5R0.2 CCC#CCO A12999 [1,0,0,0,0,0|0,0,2]=3 130 B5R0.2 CCCC#CC B22405 [1,0,0,0,0,0|0,0,2]=3 131 B5R0.2 CCCCC#C A13156 [1,0,0,0,0,0|0,0,2]=3 132 B5R0.2 CCCCC#N A10306 [1,0,0,0,0,0|1,0,1]=3 133 B5R0.2 CCCCC=C B20271 [1,0,0,0,0,0|0,0,2]=3 134 B5R0.2 CCCCC=O B21389 [1,0,0,0,0,0|0,0,2]=3 135 B5R0.2 CCCCCBr A10821 [1,0,0,0,0,0|1,0,0]=2 136 B5R0.2 CCCCCC 19353 [1,0,0,0,0,0|0,0,0]=1 137 B5R0.2 CCCCCC 32454 [1,0,0,0,0,0|0,0,0]=1 138 B5R0.2 CCCCCC 39199 [1,0,0,0,0,0|0,0,0]=1 139 B5R0.2 CCCCCC 41727 [1,0,0,0,0,0|0,0,0]=1 140 B5R0.2 CCCCCC 42100 [1,0,0,0,0,0|0,0,0]=1 141 B5R0.2 CCCCCC 43263 [1,0,0,0,0,0|0,0,0]=1 142 B5R0.2 CCCCCC 47104 [1,0,0,0,0,0|0,0,0]=1 143 B5R0.2 CCCCCC L09938 [1,0,0,0,0,0|0,0,0]=1 144 B5R0.2 CCCCCC L13233 [1,0,0,0,0,0|0,0,0]=1 145 B5R0.2 CCCCCCl B24733 [1,0,0,0,0,0|1,0,0]=2 146 B5R0.2 CCCCCI B20781 [1,0,0,0,0,0|1,0,0]=2 147 B5R0.2 CCCCCN A11674 [1,0,0,0,0,0|1,0,0]=2 148 B5R0.2 CCCCCO 30898 [1,0,0,0,0,0|0,0,0]=1 149 B5R0.2 CCCCCO A13093 [1,0,0,0,0,0|0,0,0]=1 150 B5R0.2 CCCCCO H33391 [1,0,0,0,0,0|0,0,0]=1 151 B5R0.2 CCCCCS L04330 [1,0,0,0,0,0|0,1,0]=2 152 B5R0.2 CCCCC[Mg+] 41278 [1,0,0,0,0,0|1,0,0]=2 153 B5R0.2 CCCCC[Mg+] H51175 [1,0,0,0,0,0|1,0,0]=2 154 B5R0.2 CCCCC[O-] 36569 [1,0,0,0,0,0|0,0,1]=2 155 B5R0.2 CCCCC[Zn+] H58633 [1,0,0,0,0,0|1,0,0]=2 156 B5R0.2 CCCCNC B23032 [1,0,0,0,0,0|1,0,0]=2 157 B5R0.2 CCCCSC L12039 [1,0,0,0,0,0|1,0,0]=2 158 B5R0.2 CCCN=C=S A14499 [1,0,0,0,0,0|1,1,1]=4 159 B5R0.2 CCCNCC 14846 [1,0,0,0,0,0|1,0,0]=2 160 B5R0.2 CCCOC=O A18090 [1,0,0,0,0,0|1,0,2]=4 161 B5R0.2 CCC\C=C/C H53506 [1,0,0,0,0,0|0,0,2]=3 162 B5R0.2 CCC\C=C\C B22289 [1,0,0,0,0,0|0,0,2]=3 163 B5R0.2 CCC\C=C\C H53472 [1,0,0,0,0,0|0,0,2]=3 164 B5R0.2 CCC\C=N\O A11420 [1,0,0,0,0,0|1,0,1]=3 165 B5R0.2 CCNCCN B23577 [1,0,0,0,0,0|2,0,0]=3 166 B5R0.2 CCNCCO A15744 [1,0,0,0,0,0|1,0,0]=2 167 B5R0.2 CCNNCC B22317 [1,0,0,0,0,0|2,0,0]=3 168 B5R0.2 CCOCC=C B22276 [1,0,0,0,0,0|1,0,2]=4 169 B5R0.2 CCOCCBr L04034 [1,0,0,0,0,0|2,0,0]=3 170 B5R0.2 CCOCCCl B24308 [1,0,0,0,0,0|2,0,0]=3 171 B5R0.2 CCOCCO A16100 [1,0,0,0,0,0|1,0,0]=2 172 B5R0.2 CCO\C=C\C H26319 [1,0,0,0,0,0|1,0,2]=4 173 B5R0.2 CCSCC=C L12847 [1,0,0,0,0,0|1,0,2]=4 174 B5R0.2 CCSCCN B22147 [1,0,0,0,0,0|2,0,0]=3 175 B5R0.2 CCSCCO L05040 [1,0,0,0,0,0|1,0,0]=2 176 B5R0.2 CCSSCC L10065 [1,0,0,0,0,0|2,0,0]=3 177 B5R0.2 CC\C=C/CC H53485 [1,0,0,0,0,0|0,0,2]=3 178 B5R0.2 CC\C=C/CO A14262 [1,0,0,0,0,0|0,0,2]=3 179 B5R0.2 CC\C=C\CC L10311 [1,0,0,0,0,0|0,0,2]=3 180 B5R0.2 CNCCCN B23319 [1,0,0,0,0,0|2,0,0]=3 181 B5R0.2 CNCCCO H58818 [1,0,0,0,0,0|1,0,0]=2 182 B5R0.2 CNCCNC L02204 [1,0,0,0,0,0|2,0,0]=3 183 B5R0.2 COCCC#N L07055 [1,0,0,0,0,0|2,0,1]=4 184 B5R0.2 COCCCN B24095 [1,0,0,0,0,0|2,0,0]=3 185 B5R0.2 COCCOC 45659 [1,0,0,0,0,0|2,0,0]=3 186 B5R0.2 COCCOC A12986 [1,0,0,0,0,0|2,0,0]=3 187 B5R0.2 CSCCC=O A14774 [1,0,0,0,0,0|1,0,2]=4 188 B5R0.2 CSCCCN H25846 [1,0,0,0,0,0|2,0,0]=3 189 B5R0.2 CSCCCO A10403 [1,0,0,0,0,0|1,0,0]=2 190 B7R0.1 C#CCCCCC#C A15829 [0,1,0,0,0,0|1,0,2]=4 191 B7R0.1 C#CCCCCCO H61509 [0,1,0,0,0,0|0,0,1]=2 192 B7R0.1 C(CCC#N)CC#N 43679 [0,1,0,0,0,0|1,0,2]=4 193 B7R0.1 C(CCC#N)CC#N B23122 [0,1,0,0,0,0|1,0,2]=4 194 B7R0.1 C(CCC#N)CCBr A10400 [0,1,0,0,0,0|1,0,1]=3 195 B7R0.1 C(CCC#N)CCN H27804 [0,1,0,0,0,0|1,0,1]=3 196 B7R0.1 C(CCC#N)CC[Zn+] H58480 [0,1,0,0,0,0|1,0,1]=3 197 B7R0.1 C(CCCBr)CCBr A13417 [0,1,0,0,0,0|1,0,0]=2 198 B7R0.1 C(CCCBr)CCCl B21619 [0,1,0,0,0,0|1,0,0]=2 199 B7R0.1 C(CCCBr)CCO B21803 [0,1,0,0,0,0|0,0,0]=1 200 B7R0.1 C(CCCCl)CCCl B21763 [0,1,0,0,0,0|1,0,0]=2 201 B7R0.1 C(CCCCl)CCO A14582 [0,1,0,0,0,0|0,0,0]=1 202 B7R0.1 C(CCCI)CCCl L05198 [0,1,0,0,0,0|1,0,0]=2 203 B7R0.1 C(CCCI)CCI A15368 [0,1,0,0,0,0|1,0,0]=2 204 B7R0.1 C(CCCN)CCN A14212 [0,1,0,0,0,0|1,0,0]=2 205 B7R0.1 C(CCCO)CCN L14157 [0,1,0,0,0,0|0,0,0]=1 206 B7R0.1 C(CCCO)CCO A12439 [0,1,0,0,0,0|0,0,0]=1 207 B7R0.1 C(CCCS)CCS L06686 [0,1,0,0,0,0|0,1,0]=2 208 B7R0.1 C(CCC[Zn+])CCCl H58330 [0,1,0,0,0,0|1,0,0]=2 209 B7R0.1 C(CN)CNCCBr H60309 [0,1,0,0,0,0|2,0,0]=3 210 B7R0.1 C(CN)CNCCN A19108 [0,1,0,0,0,0|2,0,0]=3 211 B7R0.1 C(CSSCCN)N B22873 [0,1,0,0,0,0|3,0,0]=4 212 B7R0.1 C(CSSCCO)O L11800 [0,1,0,0,0,0|2,0,0]=3 213 B7R0.1 C=CCCCCC#N L13137 [0,1,0,0,0,0|1,0,2]=4 214 B7R0.1 C=CCCCCC=C L07659 [0,1,0,0,0,0|1,0,2]=4 215 B7R0.1 C=CCCCCCBr H64127 [0,1,0,0,0,0|1,0,1]=3 216 B7R0.1 CCC#CCOCC H25960 [0,1,0,0,0,0|1,0,2]=4 217 B7R0.1 CCCC#CCCC 43157 [0,1,0,0,0,0|1,0,1]=3 218 B7R0.1 CCCC#CCCO B20884 [0,1,0,0,0,0|0,0,1]=2 219 B7R0.1 CCCCC#CCO A14959 [0,1,0,0,0,0|0,0,1]=2 220 B7R0.1 CCCCCC#CC A10197 [0,1,0,0,0,0|1,0,1]=3 221 B7R0.1 CCCCCCC#C A12440 [0,1,0,0,0,0|1,0,0]=2 222 B7R0.1 CCCCCCC#N A12326 [0,1,0,0,0,0|1,0,0]=2 223 B7R0.1 CCCCCCC=C A11146 [0,1,0,0,0,0|1,0,0]=2 224 B7R0.1 CCCCCCC=O B23830 [0,1,0,0,0,0|0,0,1]=2 225 B7R0.1 CCCCCCCBr A14031 [0,1,0,0,0,0|1,0,0]=2 226 B7R0.1 CCCCCCCC A13181 [0,1,0,0,0,0|1,0,0]=2 227 B7R0.1 CCCCCCCI B24206 [0,1,0,0,0,0|1,0,0]=2 228 B7R0.1 CCCCCCCN A17922 [0,1,0,0,0,0|1,0,0]=2 229 B7R0.1 CCCCCCCO A12793 [0,1,0,0,0,0|0,0,0]=1 230 B7R0.1 CCCCCCCS L07079 [0,1,0,0,0,0|0,1,0]=2 231 B7R0.1 CCCCCCC[Mg+] H51173 [0,1,0,0,0,0|1,0,0]=2 232 B7R0.1 CCCCCCC[Zn+] H58840 [0,1,0,0,0,0|1,0,0]=2 233 B7R0.1 CCCCCCOC A17207 [0,1,0,0,0,0|0,0,0]=1 234 B7R0.1 CCCCCN=C=O L13399 [0,1,0,0,0,0|0,0,2]=3 235 B7R0.1 CCCCCN=C=S A14972 [0,1,0,0,0,0|0,1,1]=3 236 B7R0.1 CCCCC\C=C\C L03862 [0,1,0,0,0,0|1,0,1]=3 237 B7R0.1 CCCCC\C=C\C L12606 [0,1,0,0,0,0|1,0,1]=3 238 B7R0.1 CCCCNCCN L13437 [0,1,0,0,0,0|1,0,0]=2 239 B7R0.1 CCCCOCC=C H53408 [0,1,0,0,0,0|1,0,1]=3 240 B7R0.1 CCCCOCCO A17976 [0,1,0,0,0,0|0,0,0]=1 241 B7R0.1 CCCCSN#CC B22336 [0,1,0,0,0,0|2,0,1]=4 242 B7R0.1 CCCC\C=C\CC 43154 [0,1,0,0,0,0|1,0,1]=3 243 B7R0.1 CCCC\C=C\CO A11750 [0,1,0,0,0,0|0,0,1]=2 244 B7R0.1 CCCSSCCC L09881 [0,1,0,0,0,0|2,0,0]=3 245 B7R0.1 CCC\C=C/CCC 43156 [0,1,0,0,0,0|1,0,1]=3 246 B7R0.1 CCC\C=C/CCO A19172 [0,1,0,0,0,0|0,0,1]=2 247 B7R0.1 CCC\C=C\CCC 43155 [0,1,0,0,0,0|1,0,1]=3 248 B7R0.1 CCNCCNCC A17113 [0,1,0,0,0,0|2,0,0]=3 249 B7R0.1 CCOCCOCC L14283 [0,1,0,0,0,0|2,0,0]=3 250 B7R0.1 CC\C=C/CCCO A16596 [0,1,0,0,0,0|0,0,1]=2 251 B7R0.1 CC\C=C\C=C\CO 15765 [0,1,0,0,0,0|0,0,3]=4 252 B7R0.1 COCCCN=C=S A15216 [0,1,0,0,0,0|1,1,1]=4 253 B7R0.1 COCCOCCBr L05406 [0,1,0,0,0,0|2,0,0]=3 254 B7R0.1 COCCOCCO A16063 [0,1,0,0,0,0|1,0,0]=2 255 B7R0.1 CSCCCN=C=S B22150 [0,1,0,0,0,0|1,1,1]=4 256 B7R0.3 C(CC(=O)NN)CO A12351 [0,1,0,0,0,0|2,0,1]=4 257 B7R0.3 CCC(CCC=C)O B20128 [0,1,0,0,0,0|1,0,1]=3 258 B7R0.3 CCCCC(=O)CC A16977 [0,1,0,0,0,0|1,0,1]=3 259 B7R0.3 CCCCC(=O)NN L01555 [0,1,0,0,0,0|2,0,1]=4 260 B7R0.3 CCCCC(=O)OC B24828 [0,1,0,0,0,0|2,0,1]=4 261 B7R0.3 CCCCC(C#C)O L05330 [0,1,0,0,0,0|1,0,1]=3 262 B7R0.3 CCCCC(C)CC L12006 [0,1,0,0,0,0|1,0,0]=2 263 B7R0.3 CCCCC(C=C)O A14651 [0,1,0,0,0,0|1,0,1]=3 264 B7R0.3 CCCCC(CC)Br L04427 [0,1,0,0,0,0|1,0,0]=2 265 B7R0.3 CCCCC(CC)[Zn+] H58866 [0,1,0,0,0,0|1,0,0]=2 266 B7R0.3 CCCCC(CO)O L06864 [0,1,0,0,0,0|0,0,0]=1 267 B7R0.3 CCCOC(=O)CBr L11951 [0,1,0,0,0,0|2,0,1]=4 268 B7R0.3 CCCOC(=O)CC B20680 [0,1,0,0,0,0|2,0,1]=4 269 B7R0.3 CCCOC(=O)CN H50250 [0,1,0,0,0,0|2,0,1]=4 270 B7R0.3 CC\C(=C\CCBr)\C L19407 [0,1,0,0,0,0|1,0,2]=4 271 B7R0.3 COC(=O)CCCBr L12636 [0,1,0,0,0,0|2,0,1]=4 272 B7R0.3 COC(=O)CCCCl L03734 [0,1,0,0,0,0|2,0,1]=4 273 B7R0.3 CSCC[C@@H](CO)N B24211 [0,1,0,0,0,0|1,0,0]=2 274 B7R0.4 B(\C=C\CCC)(O)O L19677 [0,1,0,0,0,0|1,0,2]=4 275 B7R0.4 C#CCCCC(=O)O B25132 [0,1,0,0,0,0|0,0,3]=4 276 B7R0.4 C(CC#N)CC(=O)O H66674 [0,1,0,0,0,0|1,0,2]=4 277 B7R0.4 C(CCBr)CC(=O)Cl A18046 [0,1,0,0,0,0|1,0,2]=4 278 B7R0.4 C(CCBr)CC(=O)O A11765 [0,1,0,0,0,0|1,0,1]=3 279 B7R0.4 C(CCCl)CC(=O)Cl H56237 [0,1,0,0,0,0|1,0,2]=4 280 B7R0.4 C(CCN)CC(=O)O A15043 [0,1,0,0,0,0|1,0,1]=3 281 B7R0.4 C(CCN)CC(=O)O B24788 [0,1,0,0,0,0|1,0,1]=3 282 B7R0.4 C(COCC(=O)O)N H52289 [0,1,0,0,0,0|2,0,1]=4 283 B7R0.4 C=CCCCC(=O)O L12863 [0,1,0,0,0,0|0,0,3]=4 284 B7R0.4 CC#CCCC(C)C B20881 [0,1,0,0,0,0|1,0,2]=4 285 B7R0.4 CC(=O)CCCCCl H53462 [0,1,0,0,0,0|1,0,1]=3 286 B7R0.4 CC(=O)OCCCCl B25013 [0,1,0,0,0,0|2,0,1]=4 287 B7R0.4 CC(C)CCCCBr L09486 [0,1,0,0,0,0|1,0,0]=2 288 B7R0.4 CC(C)CCCCCl B20133 [0,1,0,0,0,0|1,0,0]=2 289 B7R0.4 CC(C)CCON=O L13909 [0,1,0,0,0,0|2,0,1]=4 290 B7R0.4 CC(C)OCCCN B23748 [0,1,0,0,0,0|2,0,0]=3 291 B7R0.4 CCC#CCC(C)O L11292 [0,1,0,0,0,0|0,0,2]=3 292 B7R0.4 CCCC#CC(=O)O L02526 [0,1,0,0,0,0|0,0,3]=4 293 B7R0.4 CCCCCC(=O)C A10200 [0,1,0,0,0,0|0,0,2]=3 294 B7R0.4 CCCCCC(=O)Cl B23027 [0,1,0,0,0,0|0,0,2]=3 295 B7R0.4 CCCCCC(=O)N H25929 [0,1,0,0,0,0|0,0,2]=3 296 B7R0.4 CCCCCC(=O)O A13789 [0,1,0,0,0,0|0,0,1]=2 297 B7R0.4 CCCCCC(C)C H26220 [0,1,0,0,0,0|1,0,0]=2 298 B7R0.4 CCCCCC(C)N B22863 [0,1,0,0,0,0|1,0,0]=2 299 B7R0.4 CCCCCC(C)N L08596 [0,1,0,0,0,0|1,0,0]=2 300 B7R0.4 CCCCCC(C)O A18391 [0,1,0,0,0,0|0,0,0]=1 301 B7R0.4 CCCCCC(C)[Zn+] H58890 [0,1,0,0,0,0|1,0,0]=2 302 B7R0.4 CCCCC[C@@H](C)N L19306 [0,1,0,0,0,0|1,0,0]=2 303 B7R0.4 CCCCC[C@H](C)N L19307 [0,1,0,0,0,0|1,0,0]=2 304 B7R0.4 CCCCC[C@H](C)O 33795 [0,1,0,0,0,0|0,0,0]=1 305 B7R0.4 CCCCNC(=O)N L02854 [0,1,0,0,0,0|1,0,2]=4 306 B7R0.4 CCCCNC(=S)N L09654 [0,1,0,0,0,0|1,1,1]=4 307 B7R0.4 CCCCOC(=O)C 19395 [0,1,0,0,0,0|1,0,2]=4 308 B7R0.4 CCCCOC(=O)C 39197 [0,1,0,0,0,0|1,0,2]=4 309 B7R0.4 CCCCOC(=O)C A19412 [0,1,0,0,0,0|1,0,2]=4 310 B7R0.4 CCCCOC(=O)Cl B22215 [0,1,0,0,0,0|1,0,2]=4 311 B7R0.4 CCC\C=C\C(=O)O A13571 [0,1,0,0,0,0|0,0,3]=4 312 B7R0.4 CCNCCN(C)C L03180 [0,1,0,0,0,0|3,0,0]=4 313 B7R0.4 CC\C=C\CC(=O)O A13428 [0,1,0,0,0,0|0,0,3]=4 314 B7R0.4 CN(C)CCCCN H50276 [0,1,0,0,0,0|2,0,0]=3 315 B7R0.4 CN(C)CCCCN H51139 [0,1,0,0,0,0|2,0,0]=3 316 B7R0.4 CNCCCN(C)C A17660 [0,1,0,0,0,0|3,0,0]=4 317 B7R0.4 C\C=C\CCC(=O)O L02724 [0,1,0,0,0,0|0,0,3]=4 318 B7R0.7 CC(CCBr)CCBr B20521 [0,1,0,0,0,0|2,0,0]=3 319 B7R0.7 CC(CCO)CCO B20546 [0,1,0,0,0,0|1,0,0]=2 320 B7R0.7 CCCC(=O)CCC B21222 [0,1,0,0,0,0|1,0,1]=3 321 B7R0.7 CCCC(=O)OCC L06025 [0,1,0,0,0,0|2,0,1]=4 322 B7R0.7 CCCC(CC=C)O B20591 [0,1,0,0,0,0|1,0,1]=3 323 B7R0.7 CCCC(CCC)Br H60807 [0,1,0,0,0,0|1,0,0]=2 324 B7R0.7 CCCC(CCC)Br L04807 [0,1,0,0,0,0|1,0,0]=2 325 B7R0.7 CCCC(CCC)[Zn+] H58039 [0,1,0,0,0,0|1,0,0]=2 326 B7R0.7 CCCC(CCO)S B21965 [0,1,0,0,0,0|0,0,0]=1 327 B7R0.7 CCCC(\C=C\C)O B20057 [0,1,0,0,0,0|1,0,2]=4 328 B7R0.7 CCCN(C)CCC H65077 [0,1,0,0,0,0|2,0,0]=3 329 B7R0.7 CCOC(=O)CCBr A12402 [0,1,0,0,0,0|2,0,1]=4 330 B7R0.7 CCOC(=O)CCCl B23907 [0,1,0,0,0,0|2,0,1]=4 331 B7R0.7 CCOC(=O)CCN A17277 [0,1,0,0,0,0|2,0,1]=4 332 B7R0.7 CCOC(=O)CC[Zn+] H26739 [0,1,0,0,0,0|2,0,1]=4 333 B7R0.7 CCOC(C)OCC A13701 [0,1,0,0,0,0|3,0,0]=4 334 B7R0.7 CN(CCCl)CCCl H55066 [0,1,0,0,0,0|3,0,0]=4 335 B7R0.7 CN(CCO)CCO L15712 [0,1,0,0,0,0|2,0,0]=3 336 B7R0.7 CSCC(CSC)O B21893 [0,1,0,0,0,0|3,0,0]=4 337 B7R1.1 C#CC1CCCC1 H53483 [0,0,0,1,0,0|1,0,1]=3 338 B7R1.1 C1CC(NC1)CO H62322 [0,0,0,1,0,0|1,0,0]=2 339 B7R1.1 C1CC(OC1)CBr A15192 [0,0,0,1,0,0|1,0,0]=2 340 B7R1.1 C1CC(OC1)CCl B24015 [0,0,0,1,0,0|1,0,0]=2 341 B7R1.1 C1CC(OC1)CN B23068 [0,0,0,1,0,0|1,0,0]=2 342 B7R1.1 C1CC(OC1)CO A17078 [0,0,0,1,0,0|1,0,0]=2 343 B7R1.1 C1CCC(=NO)C1 B24961 [0,0,0,1,0,0|1,0,1]=3 344 B7R1.1 C1CCC(C1)C#N A17710 [0,0,0,1,0,0|1,0,1]=3 345 B7R1.1 C1CCC(C1)C=O H56609 [0,0,0,1,0,0|0,0,2]=3 346 B7R1.1 C1CCC(C1)CI B25391 [0,0,0,1,0,0|1,0,0]=2 347 B7R1.1 C1CCC(C1)CO A11595 [0,0,0,1,0,0|0,0,0]=1 348 B7R1.1 C1CNCC1CO H57225 [0,0,0,1,0,0|1,0,0]=2 349 B7R1.1 C1CNC[C@@H]1CO H57871 [0,0,0,1,0,0|1,0,0]=2 350 B7R1.1 C1CNC[C@H]1CO H57199 [0,0,0,1,0,0|1,0,0]=2 351 B7R1.1 C1COC(O1)CBr A19312 [0,0,0,1,0,0|2,0,0]=3 352 B7R1.1 C1COC(O1)C[Zn+] H58702 [0,0,0,1,0,0|2,0,0]=3 353 B7R1.1 C1C[C@@H](NC1)CN H66198 [0,0,0,1,0,0|2,0,0]=3 354 B7R1.1 C1C[C@@H](NC1)CO L11109 [0,0,0,1,0,0|1,0,0]=2 355 B7R1.1 C1C[C@@H](OC1)CN L14410 [0,0,0,1,0,0|1,0,0]=2 356 B7R1.1 C1C[C@@H](OC1)CO L19044 [0,0,0,1,0,0|1,0,0]=2 357 B7R1.1 C1C[C@H](NC1)CO L09779 [0,0,0,1,0,0|1,0,0]=2 358 B7R1.1 C1C[C@H](OC1)CN L10790 [0,0,0,1,0,0|1,0,0]=2 359 B7R1.1 C=CC1CCCC1 H26230 [0,0,0,1,0,0|1,0,1]=3 360 B7R1.1 CC=C1CCCC1 B20209 [0,0,0,1,0,0|1,0,2]=4 361 B7R1.1 CCC1=NCCO1 B23287 [0,0,0,1,0,0|1,0,1]=3 362 B7R1.1 COC1CCCC1 H27349 [0,0,0,1,0,0|2,0,0]=3 363 B7R1.3 C1CC(CNC1)F L19776 [0,0,0,1,0,0|2,0,0]=3 364 B7R1.3 C1CC(CNC1)N H57306 [0,0,0,1,0,0|2,0,0]=3 365 B7R1.3 C1CC(CNC1)O H55983 [0,0,0,1,0,0|1,0,0]=2 366 B7R1.3 C1CC(CNC1)O L01333 [0,0,0,1,0,0|1,0,0]=2 367 B7R1.3 C1CC=CC(C1)Br A10370 [0,0,0,1,0,0|1,0,2]=4 368 B7R1.3 C1CCC(=O)CC1 33309 [0,0,0,1,0,0|0,0,2]=3 369 B7R1.3 C1CCC(=O)CC1 A15607 [0,0,0,1,0,0|0,0,2]=3 370 B7R1.3 C1CCC(CC1)Br 31031 [0,0,0,1,0,0|1,0,0]=2 371 B7R1.3 C1CCC(CC1)Br A11593 [0,0,0,1,0,0|1,0,0]=2 372 B7R1.3 C1CCC(CC1)Cl L04349 [0,0,0,1,0,0|1,0,0]=2 373 B7R1.3 C1CCC(CC1)F L13015 [0,0,0,1,0,0|1,0,0]=2 374 B7R1.3 C1CCC(CC1)I B24840 [0,0,0,1,0,0|1,0,0]=2 375 B7R1.3 C1CCC(CC1)N A15851 [0,0,0,1,0,0|1,0,0]=2 376 B7R1.3 C1CCC(CC1)N A17308 [0,0,0,1,0,0|1,0,0]=2 377 B7R1.3 C1CCC(CC1)N A18439 [0,0,0,1,0,0|1,0,0]=2 378 B7R1.3 C1CCC(CC1)O A17576 [0,0,0,1,0,0|0,0,0]=1 379 B7R1.3 C1CCC(CC1)S 39540 [0,0,0,1,0,0|0,1,0]=2 380 B7R1.3 C1CCC(CC1)S B21656 [0,0,0,1,0,0|0,1,0]=2 381 B7R1.3 C1CCC(CC1)[Mg+] H51165 [0,0,0,1,0,0|1,0,0]=2 382 B7R1.3 C1CCC(CC1)[Zn+] H58852 [0,0,0,1,0,0|1,0,0]=2 383 B7R1.3 C1CCN(CC1)N B25746 [0,0,0,1,0,0|2,0,0]=3 384 B7R1.3 C1CCN(CC1)N L14078 [0,0,0,1,0,0|2,0,0]=3 385 B7R1.3 C1CCNC(=O)C1 A12271 [0,0,0,1,0,0|1,0,2]=4 386 B7R1.3 C1CCOC(=O)C1 L04794 [0,0,0,1,0,0|1,0,1]=3 387 B7R1.3 C1CNCCC1=O A13726 [0,0,0,1,0,0|1,0,2]=4 388 B7R1.3 C1CNCCC1F H25755 [0,0,0,1,0,0|2,0,0]=3 389 B7R1.3 C1CNCCC1N L20127 [0,0,0,1,0,0|2,0,0]=3 390 B7R1.3 C1CNCCC1O B22723 [0,0,0,1,0,0|1,0,0]=2 391 B7R1.3 C1COCCC1=O A19010 [0,0,0,1,0,0|1,0,2]=4 392 B7R1.3 C1COCCN1N B21381 [0,0,0,1,0,0|3,0,0]=4 393 B7R1.3 C1CSCCC1=O A15872 [0,0,0,1,0,0|1,0,2]=4 394 B7R1.3 C1C[C@@H](CNC1)N H27700 [0,0,0,1,0,0|2,0,0]=3 395 B7R1.3 C1C[C@H](CNC1)N H27683 [0,0,0,1,0,0|2,0,0]=3 396 B7R1.3 C1C[C@H](CNC1)O H56847 [0,0,0,1,0,0|1,0,0]=2 397 B7R1.3 CC1=CCCCC1 L15014 [0,0,0,1,0,0|1,0,1]=3 398 B7R1.3 CC1CCCCC1 31861 [0,0,0,1,0,0|1,0,0]=2 399 B7R1.3 CC1CCCCC1 A16057 [0,0,0,1,0,0|1,0,0]=2 400 B7R1.3 CC1CCCCN1 L02567 [0,0,0,1,0,0|1,0,0]=2 401 B7R1.3 CC1CCCNC1 L13408 [0,0,0,1,0,0|2,0,0]=3 402 B7R1.3 CC1CCNCC1 L02709 [0,0,0,1,0,0|2,0,0]=3 403 B7R1.3 CC1CNCCN1 B24405 [0,0,0,1,0,0|2,0,0]=3 404 B7R1.3 CC1SCCCS1 L00209 [0,0,0,1,0,0|1,1,0]=3 405 B7R1.3 CN1CCCCC1 L03398 [0,0,0,1,0,0|2,0,0]=3 406 B7R1.3 CN1CCNCC1 A10837 [0,0,0,1,0,0|3,0,0]=4 407 B7R1.3 CN1CCNCC1 H55536 [0,0,0,1,0,0|3,0,0]=4 408 B7R1.3 CN1CCOCC1 A12158 [0,0,0,1,0,0|3,0,0]=4 409 B7R1.3 C[C@@H]1CNCCN1 B22366 [0,0,0,1,0,0|2,0,0]=3 410 B7R1.3 C[C@@H]1CNCCN1 L20074 [0,0,0,1,0,0|2,0,0]=3 411 B7R1.3 C[C@H]1CNCCN1 L14429 [0,0,0,1,0,0|2,0,0]=3 412 B7R1.3 C[C@H]1CNCCN1 L20075 [0,0,0,1,0,0|2,0,0]=3 413 B7R1.4 C1CC(C(=O)C1)Cl B22573 [0,0,0,1,0,0|1,0,2]=4 414 B7R1.4 C1CNC(=O)C1O H57961 [0,0,0,1,0,0|2,0,1]=4 415 B7R1.4 CC1C(=O)CCO1 B20890 [0,0,0,1,0,0|1,0,2]=4 416 B7R1.4 CC1C(=O)CCS1 L10083 [0,0,0,1,0,0|1,0,2]=4 417 B7R1.4 CC1CCCC1O A19978 [0,0,0,1,0,0|0,0,0]=1 418 B7R1.4 CN1CCCC1=O 38986 [0,0,0,1,0,0|1,0,2]=4 419 B7R1.4 CN1CCCC1=O 39176 [0,0,0,1,0,0|1,0,2]=4 420 B7R1.4 CN1CCCC1=O 43741 [0,0,0,1,0,0|1,0,2]=4 421 B7R1.4 CN1CCCC1=O 43894 [0,0,0,1,0,0|1,0,2]=4 422 B7R1.4 CN1CCCC1=O 44063 [0,0,0,1,0,0|1,0,2]=4 423 B7R1.4 CN1CCCC1=O A12260 [0,0,0,1,0,0|1,0,2]=4 424 B7R1.7 CCCCC1CO1 L07609 [0,0,0,1,0,0|0,0,0]=1 425 B7R1.24 C1CCC=CCC1 H29062 [0,0,0,1,0,0|1,0,1]=3 426 B7R1.24 C1CCCCCC1 B22902 [0,0,0,1,0,0|1,0,0]=2 427 B7R1.24 C1CCCNCC1 B24007 [0,0,0,1,0,0|1,0,0]=2 428 B7R1.24 C1CCCOCC1 L09992 [0,0,0,1,0,0|0,0,0]=1 429 B7R1.24 C1CNCCNC1 A15751 [0,0,0,1,0,0|2,0,0]=3 430 B7R1.24 C1CNCCOC1 B21749 [0,0,0,1,0,0|1,0,0]=2 431 B4R0.2 C#CCCO A11477 [2,0,0,0,0,0|0,0,2]=4 432 B4R0.2 C(CBr)CBr A14687 [2,0,0,0,0,0|2,0,0]=4 433 B4R0.2 C(CCl)CBr A11395 [2,0,0,0,0,0|2,0,0]=4 434 B4R0.2 C(CCl)CCl 36685 [2,0,0,0,0,0|2,0,0]=4 435 B4R0.2 C(CCl)CI A13489 [2,0,0,0,0,0|2,0,0]=4 436 B4R0.2 C(CF)CF L12351 [2,0,0,0,0,0|2,0,0]=4 437 B4R0.2 C(CI)CI A10616 [2,0,0,0,0,0|2,0,0]=4 438 B4R0.2 C(CN)CBr B23254 [2,0,0,0,0,0|2,0,0]=4 439 B4R0.2 C(CN)CCl A15415 [2,0,0,0,0,0|2,0,0]=4 440 B4R0.2 C(CN)CN A11932 [2,0,0,0,0,0|2,0,0]=4 441 B4R0.2 C(CN)CO B23041 [2,0,0,0,0,0|1,0,0]=3 442 B4R0.2 C(CO)C#N L12570 [2,0,0,0,0,0|1,0,1]=4 443 B4R0.2 C(CO)CBr B22857 [2,0,0,0,0,0|1,0,0]=3 444 B4R0.2 C(CO)CCl A16871 [2,0,0,0,0,0|1,0,0]=3 445 B4R0.2 C(CO)CO A10829 [2,0,0,0,0,0|1,0,0]=3 446 B4R0.2 C(CO)NN 43793 [2,0,0,0,0,0|2,0,0]=4 447 B4R0.2 C(CS)CS A15261 [2,0,0,0,0,0|1,1,0]=4 448 B4R0.2 C=CCCO L00767 [2,0,0,0,0,0|0,0,2]=4 449 B4R0.2 CC#CCO A15709 [2,0,0,0,0,0|0,0,2]=4 450 B4R0.2 CCC#CC L02973 [2,0,0,0,0,0|0,0,2]=4 451 B4R0.2 CCCC#C L02479 [2,0,0,0,0,0|0,0,2]=4 452 B4R0.2 CCCC#N L02999 [2,0,0,0,0,0|1,0,1]=4 453 B4R0.2 CCCC=C A16723 [2,0,0,0,0,0|0,0,2]=4 454 B4R0.2 CCCC=O A18243 [2,0,0,0,0,0|0,0,2]=4 455 B4R0.2 CCCCBr A10696 [2,0,0,0,0,0|1,0,0]=3 456 B4R0.2 CCCCC 17381 [2,0,0,0,0,0|0,0,0]=2 457 B4R0.2 CCCCC 22907 [2,0,0,0,0,0|0,0,0]=2 458 B4R0.2 CCCCC 32449 [2,0,0,0,0,0|0,0,0]=2 459 B4R0.2 CCCCC 40981 [2,0,0,0,0,0|0,0,0]=2 460 B4R0.2 CCCCC 44255 [2,0,0,0,0,0|0,0,0]=2 461 B4R0.2 CCCCC 47115 [2,0,0,0,0,0|0,0,0]=2 462 B4R0.2 CCCCC H27427 [2,0,0,0,0,0|0,0,0]=2 463 B4R0.2 CCCCCl 39198 [2,0,0,0,0,0|1,0,0]=3 464 B4R0.2 CCCCCl A11494 [2,0,0,0,0,0|1,0,0]=3 465 B4R0.2 CCCCI A12340 [2,0,0,0,0,0|1,0,0]=3 466 B4R0.2 CCCCN L03575 [2,0,0,0,0,0|1,0,0]=3 467 B4R0.2 CCCCO 22925 [2,0,0,0,0,0|0,0,0]=2 468 B4R0.2 CCCCO 31068 [2,0,0,0,0,0|0,0,0]=2 469 B4R0.2 CCCCO 32443 [2,0,0,0,0,0|0,0,0]=2 470 B4R0.2 CCCCO 41867 [2,0,0,0,0,0|0,0,0]=2 471 B4R0.2 CCCCO L13171 [2,0,0,0,0,0|0,0,0]=2 472 B4R0.2 CCCCS 43421 [2,0,0,0,0,0|0,1,0]=3 473 B4R0.2 CCCC[Mg+] 41676 [2,0,0,0,0,0|1,0,0]=3 474 B4R0.2 CCCC[Mg+] 46117 [2,0,0,0,0,0|1,0,0]=3 475 B4R0.2 CCCC[O-] 33496 [2,0,0,0,0,0|0,0,1]=3 476 B4R0.2 CCCC[O-] 36570 [2,0,0,0,0,0|0,0,1]=3 477 B4R0.2 CCCC[O-] 40816 [2,0,0,0,0,0|0,0,1]=3 478 B4R0.2 CCCC[O-] 43295 [2,0,0,0,0,0|0,0,1]=3 479 B4R0.2 CCCC[O-] 44209 [2,0,0,0,0,0|0,0,1]=3 480 B4R0.2 CCCC[O-] 77124 [2,0,0,0,0,0|0,0,1]=3 481 B4R0.2 CCCC[O-] 87754 [2,0,0,0,0,0|0,0,1]=3 482 B4R0.2 CCCC[O-] B23317 [2,0,0,0,0,0|0,0,1]=3 483 B4R0.2 CCCC[Sn+3] 71125 [2,0,0,0,0,0|1,0,0]=3 484 B4R0.2 CCCC[Zn+] H58121 [2,0,0,0,0,0|1,0,0]=3 485 B4R0.2 CCCNC A16903 [2,0,0,0,0,0|1,0,0]=3 486 B4R0.2 CCCSC L09346 [2,0,0,0,0,0|1,0,0]=3 487 B4R0.2 CCNCC A10452 [2,0,0,0,0,0|1,0,0]=3 488 B4R0.2 CCNCC A11716 [2,0,0,0,0,0|1,0,0]=3 489 B4R0.2 CCNCC A13637 [2,0,0,0,0,0|1,0,0]=3 490 B4R0.2 CCOCC 16767 [2,0,0,0,0,0|1,0,0]=3 491 B4R0.2 CCOCC 33224 [2,0,0,0,0,0|1,0,0]=3 492 B4R0.2 CCOCC 38990 [2,0,0,0,0,0|1,0,0]=3 493 B4R0.2 CCOCC 40976 [2,0,0,0,0,0|1,0,0]=3 494 B4R0.2 CCOCC 41796 [2,0,0,0,0,0|1,0,0]=3 495 B4R0.2 CCOCC A15275 [2,0,0,0,0,0|1,0,0]=3 496 B4R0.2 CCOCC H33678 [2,0,0,0,0,0|1,0,0]=3 497 B4R0.2 CCOCC L15481 [2,0,0,0,0,0|1,0,0]=3 498 B4R0.2 CCSCC 10482 [2,0,0,0,0,0|1,0,0]=3 499 B4R0.2 CCSCC 10484 [2,0,0,0,0,0|1,0,0]=3 500 B4R0.2 CCSCC L03493 [2,0,0,0,0,0|1,0,0]=3 501 B4R0.2 CC[Al+]CC 87625 [2,0,0,0,0,0|1,0,0]=3 502 B4R0.2 CC[Al+]CC 89035 [2,0,0,0,0,0|1,0,0]=3 503 B4R0.2 CC[N-]CC 40445 [2,0,0,0,0,0|1,0,0]=3 504 B4R0.2 CC[N-]CC 42759 [2,0,0,0,0,0|1,0,0]=3 505 B4R0.2 CC[N-]CC 42855 [2,0,0,0,0,0|1,0,0]=3 506 B4R0.2 CC[N-]CC 43419 [2,0,0,0,0,0|1,0,0]=3 507 B4R0.2 CC[SiH2]CC L16468 [2,0,0,0,0,0|0,1,0]=3 508 B4R0.2 CC[Sn+2]CC 71155 [2,0,0,0,0,0|1,0,0]=3 509 B4R0.2 CC[Zn]CC 39564 [2,0,0,0,0,0|1,0,0]=3 510 B4R0.2 CC[Zn]CC 44880 [2,0,0,0,0,0|1,0,0]=3 511 B4R0.2 CC[Zn]CC 89038 [2,0,0,0,0,0|1,0,0]=3 512 B4R0.2 CC\C=C\C A17736 [2,0,0,0,0,0|0,0,2]=4 513 B4R0.2 CC\C=C\C L09421 [2,0,0,0,0,0|0,0,2]=4 514 B4R0.2 CNCCN A12165 [2,0,0,0,0,0|2,0,0]=4 515 B4R0.2 CNCCO B23180 [2,0,0,0,0,0|1,0,0]=3 516 B4R0.2 COCCBr A15370 [2,0,0,0,0,0|2,0,0]=4 517 B4R0.2 COCCCl B24081 [2,0,0,0,0,0|2,0,0]=4 518 B4R0.2 COCCN B22924 [2,0,0,0,0,0|2,0,0]=4 519 B4R0.2 COCCO 31733 [2,0,0,0,0,0|1,0,0]=3 520 B4R0.2 COCCO 32444 [2,0,0,0,0,0|1,0,0]=3 521 B4R0.2 COCCO A17459 [2,0,0,0,0,0|1,0,0]=3 522 B4R0.2 COCC[O-] 40471 [2,0,0,0,0,0|1,0,1]=4 523 B4R0.2 COCC[O-] 41237 [2,0,0,0,0,0|1,0,1]=4 524 B4R0.2 COCC[O-] 41256 [2,0,0,0,0,0|1,0,1]=4 525 B4R0.2 COCC[O-] 41793 [2,0,0,0,0,0|1,0,1]=4 526 B4R0.2 COCC[O-] 42377 [2,0,0,0,0,0|1,0,1]=4 527 B4R0.2 COCC[O-] 42378 [2,0,0,0,0,0|1,0,1]=4 528 B4R0.2 COCC[O-] 42522 [2,0,0,0,0,0|1,0,1]=4 529 B4R0.2 COCC[O-] 42819 [2,0,0,0,0,0|1,0,1]=4 530 B4R0.2 COCC[O-] 43903 [2,0,0,0,0,0|1,0,1]=4 531 B4R0.2 COCC[O-] A13292 [2,0,0,0,0,0|1,0,1]=4 532 B4R0.2 COCOC A12055 [2,0,0,0,0,0|2,0,0]=4 533 B4R0.2 CSCCN B22941 [2,0,0,0,0,0|2,0,0]=4 534 B4R0.2 CSCCO L05442 [2,0,0,0,0,0|1,0,0]=3 535 B4R0.2 CSCSC A19706 [2,0,0,0,0,0|2,0,0]=4 536 B4R0.2 C\C=C\CO A10681 [2,0,0,0,0,0|0,0,2]=4 537 B4R0.2 [Li]CCCC 41248 [2,0,0,0,0,0|1,0,0]=3 538 B4R0.2 [Li]CCCC 43314 [2,0,0,0,0,0|1,0,0]=3 539 B4R0.2 [Li]CCCC 44109 [2,0,0,0,0,0|1,0,0]=3 540 B4R0.2 [Li]CCCC 47107 [2,0,0,0,0,0|1,0,0]=3 541 B4R0.2 [Li]CCCC H66688 [2,0,0,0,0,0|1,0,0]=3 542 B4R0.2 [Li]CCCC L13559 [2,0,0,0,0,0|1,0,0]=3 543 B4R0.2 [Li]CCCC L14775 [2,0,0,0,0,0|1,0,0]=3 544 B6R0.1 C(CO)C(CO)O L05138 [1,1,0,0,0,0|1,0,0]=3 545 B6R0.1 C(CO)[C@@H](CO)O L20258 [1,1,0,0,0,0|1,0,0]=3 546 B6R0.1 CCC(=O)OCC 15498 [1,1,0,0,0,0|1,0,1]=4 547 B6R0.1 CCC(=O)OCC A16650 [1,1,0,0,0,0|1,0,1]=4 548 B6R0.1 CCC(=O)SCC B24918 [1,1,0,0,0,0|1,0,1]=4 549 B6R0.1 CCC(C#CC)O L09727 [1,1,0,0,0,0|0,0,2]=4 550 B6R0.1 CCC(C)CCO B22356 [1,1,0,0,0,0|0,0,0]=2 551 B6R0.1 CCC(CC#C)O L05437 [1,1,0,0,0,0|0,0,2]=4 552 B6R0.1 CCCC(=O)CC B20791 [1,1,0,0,0,0|0,0,1]=3 553 B6R0.1 CCCC(=O)OC L04250 [1,1,0,0,0,0|1,0,1]=4 554 B6R0.1 CCCC(=O)SC B22144 [1,1,0,0,0,0|1,0,1]=4 555 B6R0.1 CCCC(C#C)O L11549 [1,1,0,0,0,0|0,0,2]=4 556 B6R0.1 CCCC(C)C#C L09296 [1,1,0,0,0,0|0,0,2]=4 557 B6R0.1 CCCC(C)C=O B24199 [1,1,0,0,0,0|0,0,2]=4 558 B6R0.1 CCCC(C=C)O A19672 [1,1,0,0,0,0|0,0,2]=4 559 B6R0.1 CCCC(CC)Br L00818 [1,1,0,0,0,0|0,0,0]=2 560 B6R0.1 CCCC(CC)O B20210 [1,1,0,0,0,0|0,0,0]=2 561 B6R0.1 CCCC(CC)[Zn+] H58535 [1,1,0,0,0,0|0,0,0]=2 562 B6R0.1 CCC\C(=N\O)\N H50888 [1,1,0,0,0,0|1,0,1]=4 563 B6R0.1 CCOC(=O)CO 41475 [1,1,0,0,0,0|1,0,1]=4 564 B6R0.1 CNCC(CO)O L12653 [1,1,0,0,0,0|1,0,0]=3 565 B6R0.1 COCC(CCl)O L16239 [1,1,0,0,0,0|2,0,0]=4 566 B6R0.1 COCC(CO)O L08011 [1,1,0,0,0,0|1,0,0]=3 567 B6R0.4 B(CCCC)(O)O A13725 [1,1,0,0,0,0|1,0,0]=3 568 B6R0.4 C(CC(=O)O)CBr A12870 [1,1,0,0,0,0|1,0,1]=4 569 B6R0.4 C(CC(=O)O)CN A11016 [1,1,0,0,0,0|1,0,1]=4 570 B6R0.4 CC(=O)CCCCl A10269 [1,1,0,0,0,0|1,0,1]=4 571 B6R0.4 CC(=O)CCSC B22206 [1,1,0,0,0,0|1,0,1]=4 572 B6R0.4 CC(=O)NCCO A18638 [1,1,0,0,0,0|1,0,1]=4 573 B6R0.4 CC(C)CCC#C L06014 [1,1,0,0,0,0|0,0,2]=4 574 B6R0.4 CC(C)CCC=C B20719 [1,1,0,0,0,0|0,0,2]=4 575 B6R0.4 CC(C)NCCN B23391 [1,1,0,0,0,0|2,0,0]=4 576 B6R0.4 CC(C)OCCO L13241 [1,1,0,0,0,0|1,0,0]=3 577 B6R0.4 CC(C)SCCO L05312 [1,1,0,0,0,0|1,0,0]=3 578 B6R0.4 CC(CCCBr)Br L09842 [1,1,0,0,0,0|1,0,0]=3 579 B6R0.4 CCC#CC(C)O L11576 [1,1,0,0,0,0|0,0,2]=4 580 B6R0.4 CCCCC(=O)C A14867 [1,1,0,0,0,0|0,0,1]=3 581 B6R0.4 CCCCC(=O)Cl B22637 [1,1,0,0,0,0|0,0,2]=4 582 B6R0.4 CCCCC(=O)N L14601 [1,1,0,0,0,0|0,0,2]=4 583 B6R0.4 CCCCC(=O)O A16238 [1,1,0,0,0,0|0,0,1]=3 584 B6R0.4 CCCCC(C)Br L03364 [1,1,0,0,0,0|0,0,0]=2 585 B6R0.4 CCCCC(C)O L05993 [1,1,0,0,0,0|0,0,0]=2 586 B6R0.4 CCCCC(C)[Zn+] H58543 [1,1,0,0,0,0|0,0,0]=2 587 B6R0.4 CCCC[C@@H](C)N L19304 [1,1,0,0,0,0|0,0,0]=2 588 B6R0.4 CCCC[C@H](C)N L19305 [1,1,0,0,0,0|0,0,0]=2 589 B6R0.4 CCCC[C@H](C)O L10401 [1,1,0,0,0,0|0,0,0]=2 590 B6R0.4 CCCC[Sn](=O)O A18290 [1,1,0,0,0,0|1,0,0]=3 591 B6R0.4 CCCNC(C)C H50256 [1,1,0,0,0,0|1,0,0]=3 592 B6R0.4 CCCOC(=O)C L15355 [1,1,0,0,0,0|1,0,1]=4 593 B6R0.4 CCCSC(=O)C B21875 [1,1,0,0,0,0|1,0,1]=4 594 B6R0.4 CCOCC(=O)O B24194 [1,1,0,0,0,0|1,0,1]=4 595 B6R0.4 CCOCC(C)O 43306 [1,1,0,0,0,0|1,0,0]=3 596 B6R0.4 CCSCC(=O)C L04142 [1,1,0,0,0,0|1,0,1]=4 597 B6R0.4 CCSCC(=O)O L04743 [1,1,0,0,0,0|1,0,1]=4 598 B6R0.4 CN(C)CCCCl A15459 [1,1,0,0,0,0|2,0,0]=4 599 B6R0.4 CN(C)CCCCl H65371 [1,1,0,0,0,0|2,0,0]=4 600 B6R0.4 CN(C)CCCN L03539 [1,1,0,0,0,0|2,0,0]=4 601 B6R0.4 CN(C)CCCO A12800 [1,1,0,0,0,0|1,0,0]=3 602 B6R0.4 CNCCN(C)C 31785 [1,1,0,0,0,0|2,0,0]=4 603 B6R0.4 CSCCC(=O)O L12861 [1,1,0,0,0,0|1,0,1]=4 604 B8R0.1 CCCCC(=O)OCC A14854 [0,2,0,0,0,0|1,0,1]=4 605 B8R0.1 CCCCC(CC=C)O B20707 [0,2,0,0,0,0|1,0,0]=3 606 B8R0.1 CCCCN(C)CCO H50337 [0,2,0,0,0,0|0,0,0]=2 607 B8R0.1 CCCC[C@@H](C)N=C=O L20234 [0,2,0,0,0,0|0,0,2]=4 608 B8R0.1 CCCC[C@@H](C)N=C=S L20066 [0,2,0,0,0,0|0,1,1]=4 609 B8R0.1 CCCC[C@H](C)N=C=O L20235 [0,2,0,0,0,0|0,0,2]=4 610 B8R0.1 CCCC[C@H](C)N=C=S L20067 [0,2,0,0,0,0|0,1,1]=4 611 B8R0.1 CCOC(=O)CCCBr A13470 [0,2,0,0,0,0|1,0,1]=4 612 B8R0.1 CCOC(=O)CCCCl A11070 [0,2,0,0,0,0|1,0,1]=4 613 B8R0.1 CCOC(=O)CCCN L06863 [0,2,0,0,0,0|1,0,1]=4 614 B8R0.1 CCOC(=O)CCC[Zn+] H58023 [0,2,0,0,0,0|1,0,1]=4 615 B8R0.4 C#CCCCCCC#C B23784 [0,2,0,0,0,0|1,0,1]=4 616 B8R0.4 C(CCCBr)CCC#N L05068 [0,2,0,0,0,0|1,0,0]=3 617 B8R0.4 C(CCCCl)CCC#N L03997 [0,2,0,0,0,0|1,0,0]=3 618 B8R0.4 C(CCCN)CCCN L02853 [0,2,0,0,0,0|1,0,0]=3 619 B8R0.4 C(CCCO)CCCBr H54762 [0,2,0,0,0,0|0,0,0]=2 620 B8R0.4 C(CCCO)CCCO L06384 [0,2,0,0,0,0|0,0,0]=2 621 B8R0.4 C(CCC[Zn+])CCC#N H58022 [0,2,0,0,0,0|1,0,0]=3 622 B8R0.4 C=CCCCCCC=C H53502 [0,2,0,0,0,0|1,0,1]=4 623 B8R0.4 C=CCCCCCCBr H64830 [0,2,0,0,0,0|1,0,0]=3 624 B8R0.4 CCCCC#CCCC B21349 [0,2,0,0,0,0|1,0,0]=3 625 B8R0.4 CCCCC#CCCO L05414 [0,2,0,0,0,0|0,0,0]=2 626 B8R0.4 CCCCCC#CCCl H53452 [0,2,0,0,0,0|1,0,0]=3 627 B8R0.4 CCCCCC#CCO L05596 [0,2,0,0,0,0|0,0,0]=2 628 B8R0.4 CCCCCCC#CC B23620 [0,2,0,0,0,0|1,0,0]=3 629 B8R0.4 CCCCCCCC#C B24263 [0,2,0,0,0,0|1,0,0]=3 630 B8R0.4 CCCCCCCC#N B23338 [0,2,0,0,0,0|1,0,0]=3 631 B8R0.4 CCCCCCCC=O A10901 [0,2,0,0,0,0|0,0,1]=3 632 B8R0.4 CCCCCCCCBr A14722 [0,2,0,0,0,0|1,0,0]=3 633 B8R0.4 CCCCCCCCC A16177 [0,2,0,0,0,0|1,0,0]=3 634 B8R0.4 CCCCCCCCCl L04358 [0,2,0,0,0,0|1,0,0]=3 635 B8R0.4 CCCCCCCCI B22214 [0,2,0,0,0,0|1,0,0]=3 636 B8R0.4 CCCCCCCCN B24193 [0,2,0,0,0,0|1,0,0]=3 637 B8R0.4 CCCCCCCCO A15977 [0,2,0,0,0,0|0,0,0]=2 638 B8R0.4 CCCCCCCCO H36188 [0,2,0,0,0,0|0,0,0]=2 639 B8R0.4 CCCCCCCCS L07195 [0,2,0,0,0,0|0,1,0]=3 640 B8R0.4 CCCCCCCC[Mg+] H51174 [0,2,0,0,0,0|1,0,0]=3 641 B8R0.4 CCCCCCCC[O-] H37523 [0,2,0,0,0,0|0,0,1]=3 642 B8R0.4 CCCCCCCC[Zn+] H58444 [0,2,0,0,0,0|1,0,0]=3 643 B8R0.4 CCCCCCCNC H65794 [0,2,0,0,0,0|1,0,0]=3 644 B8R0.4 CCCCCCN=C=S A12223 [0,2,0,0,0,0|0,1,0]=3 645 B8R0.4 CCCCCCOC=O L06226 [0,2,0,0,0,0|0,0,0]=2 646 B8R0.4 CCCCCSCCO B22772 [0,2,0,0,0,0|0,0,0]=2 647 B8R0.4 CCCCC\C=C\C=O A18830 [0,2,0,0,0,0|0,0,2]=4 648 B8R0.4 CCCCC\C=C\CO A15960 [0,2,0,0,0,0|0,0,0]=2 649 B8R0.4 CCCCNCCCC A11671 [0,2,0,0,0,0|1,0,0]=3 650 B8R0.4 CCCCOCCC#N L11342 [0,2,0,0,0,0|1,0,0]=3 651 B8R0.4 CCCCOCCCC A16305 [0,2,0,0,0,0|1,0,0]=3 652 B8R0.4 CCCCSCCCC L07599 [0,2,0,0,0,0|1,0,0]=3 653 B8R0.4 CCCC[N-]CCCC L08269 [0,2,0,0,0,0|1,0,0]=3 654 B8R0.4 CCCC[NH2+]CCCC B20251 [0,2,0,0,0,0|1,0,0]=3 655 B8R0.4 CCCC[Sn+2]CCCC 14116 [0,2,0,0,0,0|1,0,0]=3 656 B8R0.4 CCCC[Sn+2]CCCC 14117 [0,2,0,0,0,0|1,0,0]=3 657 B8R0.4 CCCC[Sn+2]CCCC 18595 [0,2,0,0,0,0|1,0,0]=3 658 B8R0.4 CCCC[Sn+2]CCCC 39618 [0,2,0,0,0,0|1,0,0]=3 659 B8R0.4 CCCC[Sn+2]CCCC B23921 [0,2,0,0,0,0|1,0,0]=3 660 B8R0.4 CCCC[Sn+2]CCCC L14491 [0,2,0,0,0,0|1,0,0]=3 661 B8R0.4 CCCC\C=C/CCO A19014 [0,2,0,0,0,0|0,0,0]=2 662 B8R0.4 CCC\C=C\C=C\CO A16820 [0,2,0,0,0,0|0,0,2]=4 663 B8R0.4 CCOCCOCCBr L08522 [0,2,0,0,0,0|1,0,0]=3 664 B8R0.4 CCOCCOCCO A14670 [0,2,0,0,0,0|0,0,0]=2 665 B8R0.4 CC\C=C/CCCCO A19454 [0,2,0,0,0,0|0,0,0]=2 666 B8R0.4 COCCOCCOC A13397 [0,2,0,0,0,0|1,0,0]=3 667 B8R0.6 C(CCO)CC(CO)O L06032 [0,2,0,0,0,0|0,0,0]=2 668 B8R0.6 CCCCCC(=O)C=C L07189 [0,2,0,0,0,0|0,0,2]=4 669 B8R0.6 CCCCCC(=O)CC A12113 [0,2,0,0,0,0|1,0,0]=3 670 B8R0.6 CCCCCC(=O)OC A10757 [0,2,0,0,0,0|0,0,1]=3 671 B8R0.6 CCCCCC(C#C)O A13267 [0,2,0,0,0,0|0,0,0]=2 672 B8R0.6 CCCCCC(C=C)O A12079 [0,2,0,0,0,0|0,0,0]=2 673 B8R0.6 CCCCCC(CC)O A14488 [0,2,0,0,0,0|0,0,0]=2 674 B8R0.6 CCCCC[C@@H](C#C)O L19046 [0,2,0,0,0,0|0,0,0]=2 675 B8R0.6 CCCCC[C@H](C#C)O L19045 [0,2,0,0,0,0|0,0,0]=2 676 B8R0.6 CCCCC[C@H](CC)O H66963 [0,2,0,0,0,0|0,0,0]=2 677 B8R0.6 CCCCOC(=O)CC B20125 [0,2,0,0,0,0|1,0,1]=4 678 B8R0.6 COC(=O)CCCCBr A19072 [0,2,0,0,0,0|1,0,1]=4 679 B8R0.6 COC(=O)CCCCCl B25408 [0,2,0,0,0,0|1,0,1]=4 680 B8R0.6 COC(=O)CCCSC L11000 [0,2,0,0,0,0|1,0,1]=4 681 B8R0.7 B(CCCCCC)(O)O B22446 [0,2,0,0,0,0|0,0,0]=2 682 B8R0.7 B(\C=C\CCCC)(O)O H52613 [0,2,0,0,0,0|0,0,2]=4 683 B8R0.7 C#CCCCCC(=O)O H53519 [0,2,0,0,0,0|0,0,2]=4 684 B8R0.7 C(CCC(=O)Cl)CCBr A11063 [0,2,0,0,0,0|0,0,2]=4 685 B8R0.7 C(CCC(=O)Cl)CCCl L11111 [0,2,0,0,0,0|0,0,2]=4 686 B8R0.7 C(CCC(=O)O)CCBr A15761 [0,2,0,0,0,0|0,0,1]=3 687 B8R0.7 C(CCC(=O)O)CCN A14719 [0,2,0,0,0,0|0,0,1]=3 688 B8R0.7 C(CCC(=O)O)CCO B24857 [0,2,0,0,0,0|0,0,1]=3 689 B8R0.7 C=CCCCCC(=O)O L13144 [0,2,0,0,0,0|0,0,2]=4 690 B8R0.7 CC(=O)OCCCCBr A15632 [0,2,0,0,0,0|1,0,1]=4 691 B8R0.7 CC(=O)OCCCCCl B22582 [0,2,0,0,0,0|1,0,1]=4 692 B8R0.7 CC(=O)OCCCCI H31826 [0,2,0,0,0,0|1,0,1]=4 693 B8R0.7 CC(C)CCCCCN B24746 [0,2,0,0,0,0|1,0,0]=3 694 B8R0.7 CCCCCCC(=O)C A11643 [0,2,0,0,0,0|0,0,1]=3 695 B8R0.7 CCCCCCC(=O)Cl L03315 [0,2,0,0,0,0|0,0,1]=3 696 B8R0.7 CCCCCCC(=O)O A17704 [0,2,0,0,0,0|0,0,0]=2 697 B8R0.7 CCCCCCC(C)O A16985 [0,2,0,0,0,0|0,0,0]=2 698 B8R0.7 CCCCCCN(C)C A17364 [0,2,0,0,0,0|1,0,0]=3 699 B8R0.7 CCCCCC[C@@H](C)N L19308 [0,2,0,0,0,0|1,0,0]=3 700 B8R0.7 CCCCCC[C@@H](C)O L11502 [0,2,0,0,0,0|0,0,0]=2 701 B8R0.7 CCCCCC[C@H](C)N L19309 [0,2,0,0,0,0|1,0,0]=3 702 B8R0.7 CCCCCC[C@H](C)O L12425 [0,2,0,0,0,0|0,0,0]=2 703 B8R0.7 CCCCCOC(=O)C L10852 [0,2,0,0,0,0|0,0,2]=4 704 B8R0.7 CCCCOCC(=O)O H50210 [0,2,0,0,0,0|0,0,1]=3 705 B8R0.7 CCCC\C=C\C(C)O B21741 [0,2,0,0,0,0|0,0,1]=3 706 B8R0.7 COCCOCC(=O)O L20090 [0,2,0,0,0,0|1,0,1]=4 707 B8R0.3 C(C=O)[C@@H]([C@@H](CO)O)O A11990 [0,2,0,0,0,0|1,0,1]=4 708 B8R0.3 CCCC(=O)C(CC)Br H32094 [0,2,0,0,0,0|1,0,1]=4 709 B8R0.3 CCCC(C(C)CC)O L09856 [0,2,0,0,0,0|1,0,0]=3 710 B8R0.3 CCCC(C(CO)O)O H27180 [0,2,0,0,0,0|0,0,0]=2 711 B8R0.3 CCCC(C)C(C#C)O H53372 [0,2,0,0,0,0|1,0,1]=4 712 B8R0.3 CCCC(C)C(CC)O B20357 [0,2,0,0,0,0|1,0,0]=3 713 B8R0.3 CCOC(=O)[C@H](CO)N A14174 [0,2,0,0,0,0|1,0,1]=4 714 B8R0.8 C(CC(C(=O)O)N)CN A18173 [0,2,0,0,0,0|1,0,1]=4 715 B8R0.8 C(C[C@@H](C(=O)O)N)CN A12111 [0,2,0,0,0,0|1,0,1]=4 716 B8R0.8 C(C[C@H](C(=O)O)N)CN L00793 [0,2,0,0,0,0|1,0,1]=4 717 B8R0.8 CCCCC(C(=O)O)Br B24228 [0,2,0,0,0,0|0,0,1]=3 718 B8R0.8 CCCCC(C(=O)O)N A10791 [0,2,0,0,0,0|0,0,1]=3 719 B8R0.8 CCCCC(C(C)C)O L03492 [0,2,0,0,0,0|1,0,0]=3 720 B8R0.8 CCCCC(C)C(=O)Cl H32829 [0,2,0,0,0,0|0,0,2]=4 721 B8R0.8 CCCCC(C)C(=O)O A11290 [0,2,0,0,0,0|0,0,1]=3 722 B8R0.8 CCCC[C@@H](C(=O)O)N L03913 [0,2,0,0,0,0|0,0,1]=3 723 B8R0.8 CCCC[C@H](C(=O)O)N L08257 [0,2,0,0,0,0|0,0,1]=3 724 B8R0.8 CSCCC(C(=O)O)N A11457 [0,2,0,0,0,0|1,0,1]=4 725 B8R0.8 CSCC[C@@H](C(=O)O)N A10318 [0,2,0,0,0,0|1,0,1]=4 726 B8R0.8 CSCC[C@@H](C(=O)O)N B21342 [0,2,0,0,0,0|1,0,1]=4 727 B8R0.8 CSCC[C@H](C(=O)O)N B21213 [0,2,0,0,0,0|1,0,1]=4 728 B8R0.9 CC(=O)OCC(CO)O A14025 [0,2,0,0,0,0|1,0,1]=4 729 B8R0.9 CC(CO)OCC(C)O A18716 [0,2,0,0,0,0|1,0,0]=3 730 B8R0.11 CCCCC(CC)C=O B23471 [0,2,0,0,0,0|1,0,0]=3 731 B8R0.11 CCCCC(CC)CBr B23532 [0,2,0,0,0,0|1,0,0]=3 732 B8R0.11 CCCCC(CC)CN A10372 [0,2,0,0,0,0|1,0,0]=3 733 B8R0.11 CCCCC(CC)CO A17104 [0,2,0,0,0,0|0,0,0]=2 734 B8R0.11 CCCCC(CC)C[O-] 44678 [0,2,0,0,0,0|0,0,1]=3 735 B8R0.11 CCCCC(CC)C[O-] 77107 [0,2,0,0,0,0|0,0,1]=3 736 B8R0.11 CCCCC(CC)C[Zn+] H58225 [0,2,0,0,0,0|1,0,0]=3 737 B8R0.11 CCCCC(CO)CO B21739 [0,2,0,0,0,0|0,0,0]=2 738 B8R0.11 CCN(CC)CCCN L13888 [0,2,0,0,0,0|2,0,0]=4 739 B8R0.11 COC(CCCN)OC B21072 [0,2,0,0,0,0|2,0,0]=4 740 B8R0.19 CCC(C)NC(C)CC B25690 [0,2,0,0,0,0|2,0,0]=4 741 B8R0.25 CCCCC(C)(CC)O B20959 [0,2,0,0,0,0|1,0,0]=3 742 B8R0.5 CCOC(=O)CC(C)O B21521 [0,2,0,0,0,0|1,0,1]=4 743 B8R0.21 CCCCCS(=O)(=O)[O-] 15714 [0,2,0,0,0,0|1,0,1]=4 744 B8R0.21 CCCCCS(=O)(=O)[O-] B20699 [0,2,0,0,0,0|1,0,1]=4 745 B8R0.28 CC(=O)CCCC(=O)O L03978 [0,2,0,0,0,0|0,0,2]=4 746 B8R0.28 CC(C)CCCC(=O)O A19012 [0,2,0,0,0,0|0,0,1]=3 747 B8R0.28 CC(C)CCCC(C)N A12017 [0,2,0,0,0,0|1,0,0]=3 748 B8R0.28 CC(C)CNCC(C)C L15495 [0,2,0,0,0,0|2,0,0]=4 749 B8R0.28 CC(C)C[Al+]CC(C)C 42588 [0,2,0,0,0,0|2,0,0]=4 750 B8R0.28 CC(C)C[Al+]CC(C)C 42589 [0,2,0,0,0,0|2,0,0]=4 751 B8R0.28 CC(C)C[Al+]CC(C)C 42591 [0,2,0,0,0,0|2,0,0]=4 752 B8R0.28 CC(C)C[Al+]CC(C)C 42592 [0,2,0,0,0,0|2,0,0]=4 753 B8R0.28 CC(C)C[Al+]CC(C)C 42593 [0,2,0,0,0,0|2,0,0]=4 754 B8R0.28 CC(C)C[Al+]CC(C)C 89039 [0,2,0,0,0,0|2,0,0]=4 755 B8R0.28 CC(C)C[Al+]CC(C)C L14718 [0,2,0,0,0,0|2,0,0]=4 756 B8R0.28 CC(CCC=C(C)C)O L09181 [0,2,0,0,0,0|0,0,2]=4 757 B8R0.28 CC(CNCC(C)O)O A18451 [0,2,0,0,0,0|1,0,0]=3 758 B8R0.28 CN(C)CCCC(=O)O A16610 [0,2,0,0,0,0|1,0,1]=4 759 B8R0.28 C[C@@H](CCC=C(C)C)O L18884 [0,2,0,0,0,0|0,0,2]=4 760 B8R0.28 C[C@H](CCC=C(C)C)O L18883 [0,2,0,0,0,0|0,0,2]=4 761 B8R0.22 CCCC(CCC)CO H57954 [0,2,0,0,0,0|1,0,0]=3 762 B8R0.22 CCCC(CCO)SC B21786 [0,2,0,0,0,0|0,0,0]=2 763 B8R0.22 CCCN(CCC)C=O L08854 [0,2,0,0,0,0|2,0,0]=4 764 B8R0.30 CCCC(C)(CC=C)O B20826 [0,2,0,0,0,0|1,0,1]=4 765 B8R0.30 CCC[Si](CCC)(Cl)Cl L05529 [0,2,0,0,0,0|1,1,0]=4 766 B6R1.1 C1CC=COC1 L02731 [1,0,0,1,0,0|0,0,2]=4 767 B6R1.1 C1CCC=CC1 A11359 [1,0,0,1,0,0|0,0,2]=4 768 B6R1.1 C1CCCCC1 22864 [1,0,0,1,0,0|0,0,0]=2 769 B6R1.1 C1CCCCC1 22919 [1,0,0,1,0,0|0,0,0]=2 770 B6R1.1 C1CCCCC1 40975 [1,0,0,1,0,0|0,0,0]=2 771 B6R1.1 C1CCCCC1 A16070 [1,0,0,1,0,0|0,0,0]=2 772 B6R1.1 C1CCCCC1 H26081 [1,0,0,1,0,0|0,0,0]=2 773 B6R1.1 C1CCNCC1 A12442 [1,0,0,1,0,0|1,0,0]=3 774 B6R1.1 C1CCNCC1 A13243 [1,0,0,1,0,0|1,0,0]=3 775 B6R1.1 C1CCOCC1 A13392 [1,0,0,1,0,0|0,0,0]=2 776 B6R1.1 C1CCSCC1 L03063 [1,0,0,1,0,0|0,1,0]=3 777 B6R1.1 C1CNCCN1 A11487 [1,0,0,1,0,0|2,0,0]=4 778 B6R1.1 C1CNCCN1 A15049 [1,0,0,1,0,0|2,0,0]=4 779 B6R1.1 C1CNCCN1 A16050 [1,0,0,1,0,0|2,0,0]=4 780 B6R1.1 C1CNCCN1 A18520 [1,0,0,1,0,0|2,0,0]=4 781 B6R1.1 C1CNCCN1 H37069 [1,0,0,1,0,0|2,0,0]=4 782 B6R1.1 C1CNCCN1 L19359 [1,0,0,1,0,0|2,0,0]=4 783 B6R1.1 C1COCCN1 31984 [1,0,0,1,0,0|1,0,0]=3 784 B6R1.1 C1COCCN1 A10355 [1,0,0,1,0,0|1,0,0]=3 785 B6R1.1 C1COCCN1 L15110 [1,0,0,1,0,0|1,0,0]=3 786 B6R1.1 C1COCCO1 22913 [1,0,0,1,0,0|1,0,0]=3 787 B6R1.1 C1COCCO1 39118 [1,0,0,1,0,0|1,0,0]=3 788 B6R1.1 C1COCCO1 43167 [1,0,0,1,0,0|1,0,0]=3 789 B6R1.1 C1COCCO1 43821 [1,0,0,1,0,0|1,0,0]=3 790 B6R1.1 C1COCCO1 A14188 [1,0,0,1,0,0|1,0,0]=3 791 B6R1.1 C1COCOC1 H54107 [1,0,0,1,0,0|1,0,0]=3 792 B6R1.1 C1CSCCN1 A15958 [1,0,0,1,0,0|1,1,0]=4 793 B6R1.1 C1CSCCN1 L19470 [1,0,0,1,0,0|1,1,0]=4 794 B6R1.1 C1CSCCO1 A18052 [1,0,0,1,0,0|1,0,0]=3 795 B6R1.1 C1CSCSC1 A10505 [1,0,0,1,0,0|1,1,0]=4 796 B6R1.1 C1OCOCO1 A15639 [1,0,0,1,0,0|2,0,0]=4 797 B6R1.2 C1CC(=O)OC1 A16314 [1,0,0,1,0,0|1,0,1]=4 798 B6R1.2 C1CCC(=O)C1 A14222 [1,0,0,1,0,0|0,0,2]=4 799 B6R1.2 C1CCC(C1)Br A15455 [1,0,0,1,0,0|1,0,0]=3 800 B6R1.2 C1CCC(C1)Cl B25023 [1,0,0,1,0,0|1,0,0]=3 801 B6R1.2 C1CCC(C1)I L01522 [1,0,0,1,0,0|1,0,0]=3 802 B6R1.2 C1CCC(C1)N L01966 [1,0,0,1,0,0|1,0,0]=3 803 B6R1.2 C1CCC(C1)O A15249 [1,0,0,1,0,0|0,0,0]=2 804 B6R1.2 C1CCC(C1)S 39539 [1,0,0,1,0,0|0,1,0]=3 805 B6R1.2 C1CCC(C1)S L03577 [1,0,0,1,0,0|0,1,0]=3 806 B6R1.2 C1CCC(C1)[Mg+] H51166 [1,0,0,1,0,0|1,0,0]=3 807 B6R1.2 C1CCC(C1)[Zn+] H58764 [1,0,0,1,0,0|1,0,0]=3 808 B6R1.2 C1CCS(=O)C1 A17502 [1,0,0,1,0,0|1,0,1]=4 809 B6R1.2 C1CNCC1Br H66833 [1,0,0,1,0,0|2,0,0]=4 810 B6R1.2 C1CNCC1O H64975 [1,0,0,1,0,0|1,0,0]=3 811 B6R1.2 C1CNC[C@@H]1F H26947 [1,0,0,1,0,0|2,0,0]=4 812 B6R1.2 C1CNC[C@@H]1N L11173 [1,0,0,1,0,0|2,0,0]=4 813 B6R1.2 C1CNC[C@@H]1O H52743 [1,0,0,1,0,0|1,0,0]=3 814 B6R1.2 C1CNC[C@@H]1O L19499 [1,0,0,1,0,0|1,0,0]=3 815 B6R1.2 C1CNC[C@H]1F H27536 [1,0,0,1,0,0|2,0,0]=4 816 B6R1.2 C1CNC[C@H]1N L12222 [1,0,0,1,0,0|2,0,0]=4 817 B6R1.2 C1CNC[C@H]1N L19500 [1,0,0,1,0,0|2,0,0]=4 818 B6R1.2 C1CNC[C@H]1O H52815 [1,0,0,1,0,0|1,0,0]=3 819 B6R1.2 C1CNC[C@H]1O L19498 [1,0,0,1,0,0|1,0,0]=3 820 B6R1.2 C1COC[C@@H]1O H56307 [1,0,0,1,0,0|1,0,0]=3 821 B6R1.2 C1COC[C@H]1N H66034 [1,0,0,1,0,0|2,0,0]=4 822 B6R1.2 C1COC[C@H]1O H56476 [1,0,0,1,0,0|1,0,0]=3 823 B6R1.2 CC1=CCCC1 A18816 [1,0,0,1,0,0|0,0,2]=4 824 B6R1.2 CC1=NCCC1 44853 [1,0,0,1,0,0|1,0,1]=4 825 B6R1.2 CC1=NCCO1 B24612 [1,0,0,1,0,0|1,0,1]=4 826 B6R1.2 CC1CCCC1 L03988 [1,0,0,1,0,0|0,0,0]=2 827 B6R1.2 CC1CCCN1 31902 [1,0,0,1,0,0|1,0,0]=3 828 B6R1.2 CC1CCCO1 L07356 [1,0,0,1,0,0|0,0,0]=2 829 B6R1.2 CC1CCCS1 43456 [1,0,0,1,0,0|0,1,0]=3 830 B6R1.2 CC1NCCS1 B22537 [1,0,0,1,0,0|1,1,0]=4 831 B6R1.2 CC1OCCO1 A12824 [1,0,0,1,0,0|1,0,0]=3 832 B6R1.2 CC1SCCS1 B23372 [1,0,0,1,0,0|1,1,0]=4 833 B6R1.2 CN1CCCC1 B23799 [1,0,0,1,0,0|1,0,0]=3 834 B6R1.2 C[C@@H]1CCCN1 H57885 [1,0,0,1,0,0|1,0,0]=3 835 B6R1.3 C1CC1CC#N L11950 [1,0,0,1,0,0|1,0,1]=4 836 B6R1.3 C1CC1CCO L11080 [1,0,0,1,0,0|0,0,0]=2 837 B6R1.6 C1C(CN1)CO H57801 [1,0,0,1,0,0|1,0,0]=3 838 B6R1.6 C1C(CO1)CN H66510 [1,0,0,1,0,0|2,0,0]=4 839 B6R1.6 C1C(CO1)CO H66333 [1,0,0,1,0,0|1,0,0]=3 840 B6R1.6 C1CC(C1)C#N A10309 [1,0,0,1,0,0|1,0,1]=4 841 B6R1.6 C1CC(C1)CO B21480 [1,0,0,1,0,0|0,0,0]=2 842 B6R1.6 C1COC1CBr H66276 [1,0,0,1,0,0|1,0,0]=3 843 B6R1.6 C1COC1CI H66525 [1,0,0,1,0,0|1,0,0]=3 844 B6R1.6 C1COC1CO H66218 [1,0,0,1,0,0|1,0,0]=3 845 B6R1.6 CNC1COC1 H57425 [1,0,0,1,0,0|2,0,0]=4 846 B6R1.6 COC1CNC1 H57769 [1,0,0,1,0,0|2,0,0]=4 847 B6R1.8 CC1CC1CO H27337 [1,0,0,1,0,0|0,0,0]=2 848 B8R1.2 C#CC1CCCCC1 H53418 [0,1,0,1,0,0|1,0,0]=3 849 B8R1.2 C1CC(CNC1)CO L04264 [0,1,0,1,0,0|0,0,0]=2 850 B8R1.2 C1CC(OC=C1)CO H56124 [0,1,0,1,0,0|0,0,2]=4 851 B8R1.2 C1CCC(=NO)CC1 A19820 [0,1,0,1,0,0|0,0,1]=3 852 B8R1.2 C1CCC(CC1)C=O B23837 [0,1,0,1,0,0|0,0,1]=3 853 B8R1.2 C1CCC(CC1)CBr L11343 [0,1,0,1,0,0|1,0,0]=3 854 B8R1.2 C1CCC(CC1)CN L06501 [0,1,0,1,0,0|1,0,0]=3 855 B8R1.2 C1CCC(CC1)CO L06538 [0,1,0,1,0,0|0,0,0]=2 856 B8R1.2 C1CCC(CC1)C[Zn+] H58186 [0,1,0,1,0,0|1,0,0]=3 857 B8R1.2 C1CCC(CC1)NO L03569 [0,1,0,1,0,0|0,0,0]=2 858 B8R1.2 C1CCN(CC1)C=O B23452 [0,1,0,1,0,0|0,0,2]=4 859 B8R1.2 C1CCNC(C1)CN L20122 [0,1,0,1,0,0|1,0,0]=3 860 B8R1.2 C1CCNC(C1)CO H60178 [0,1,0,1,0,0|0,0,0]=2 861 B8R1.2 C1CCOC(C1)CCl L07725 [0,1,0,1,0,0|0,0,0]=2 862 B8R1.2 C1CCOC(C1)CO L17417 [0,1,0,1,0,0|0,0,0]=2 863 B8R1.2 C1CNCCC1C#N H27722 [0,1,0,1,0,0|1,0,1]=4 864 B8R1.2 C1CNCCC1CN L11577 [0,1,0,1,0,0|1,0,0]=3 865 B8R1.2 C1CNCCC1CO L17964 [0,1,0,1,0,0|0,0,0]=2 866 B8R1.2 C1COC(CN1)CO H64154 [0,1,0,1,0,0|1,0,0]=3 867 B8R1.2 C1COCCC1CO H64568 [0,1,0,1,0,0|0,0,0]=2 868 B8R1.2 C1CO[C@H](CN1)CO H64003 [0,1,0,1,0,0|1,0,0]=3 869 B8R1.2 C=CC1CCCCC1 L10756 [0,1,0,1,0,0|1,0,0]=3 870 B8R1.2 CCN1CCCCC1 A16294 [0,1,0,1,0,0|1,0,0]=3 871 B8R1.2 CCN1CCNCC1 L15539 [0,1,0,1,0,0|2,0,0]=4 872 B8R1.2 CCN1CCOCC1 A11905 [0,1,0,1,0,0|2,0,0]=4 873 B8R1.2 CNC1CCCCC1 L13872 [0,1,0,1,0,0|1,0,0]=3 874 B8R1.2 COC1CCC=CO1 B24609 [0,1,0,1,0,0|0,0,2]=4 875 B8R1.2 COC1CCCNC1 H51138 [0,1,0,1,0,0|1,0,0]=3 876 B8R1.2 CSC1CCCCC1 L03712 [0,1,0,1,0,0|0,1,0]=3 877 B8R1.5 C1CCC(=O)C(C1)Cl A18613 [0,1,0,1,0,0|0,0,2]=4 878 B8R1.5 C1CCC(=O)C(C1)F H26032 [0,1,0,1,0,0|0,0,2]=4 879 B8R1.5 C1CCC(C(C1)N)N B24657 [0,1,0,1,0,0|1,0,0]=3 880 B8R1.5 C1CCC(C(C1)O)O A18572 [0,1,0,1,0,0|0,0,0]=2 881 B8R1.5 C1CC[C@@H]([C@H](C1)N)N L14072 [0,1,0,1,0,0|1,0,0]=3 882 B8R1.5 C1CC[C@H]([C@@H](C1)Br)Br H53456 [0,1,0,1,0,0|1,0,0]=3 883 B8R1.5 C1CC[C@H]([C@@H](C1)N)N L06626 [0,1,0,1,0,0|1,0,0]=3 884 B8R1.5 C1CC[C@H]([C@@H](C1)N)N L14059 [0,1,0,1,0,0|1,0,0]=3 885 B8R1.5 C1CC[C@H]([C@@H](C1)N)O B22324 [0,1,0,1,0,0|0,0,0]=2 886 B8R1.5 C1CC[C@H]([C@@H](C1)O)F H26031 [0,1,0,1,0,0|0,0,0]=2 887 B8R1.5 C1CC[C@H]([C@@H](C1)O)O L07088 [0,1,0,1,0,0|0,0,0]=2 888 B8R1.5 C1COC(C(O1)O)O L19210 [0,1,0,1,0,0|2,0,0]=4 889 B8R1.5 CC1C(NCCN1)C H26252 [0,1,0,1,0,0|2,0,0]=4 890 B8R1.5 CC1CCCCC1=O A14741 [0,1,0,1,0,0|0,0,1]=3 891 B8R1.5 CC1CCCCC1N L02285 [0,1,0,1,0,0|1,0,0]=3 892 B8R1.5 CC1CCCCC1O A12877 [0,1,0,1,0,0|0,0,0]=2 893 B8R1.5 C[C@@H]1CCCC[C@@H]1C 31467 [0,1,0,1,0,0|1,0,0]=3 894 B8R1.8 C#CCC1CCCC1 L11514 [0,1,0,1,0,0|1,0,0]=3 895 B8R1.8 C1CCC(C1)CCO B22344 [0,1,0,1,0,0|0,0,0]=2 896 B8R1.8 C1CCC(C1)N=C=S A11745 [0,1,0,1,0,0|0,1,1]=4 897 B8R1.8 C1CCC(C1)SC#N H32230 [0,1,0,1,0,0|1,0,1]=4 898 B8R1.8 C1CCN(C1)CC#N L01737 [0,1,0,1,0,0|1,0,1]=4 899 B8R1.8 C1CCN(C1)CCCl B22236 [0,1,0,1,0,0|1,0,0]=3 900 B8R1.8 C1CCN(C1)CCN B24645 [0,1,0,1,0,0|1,0,0]=3 901 B8R1.8 C1CCN(C1)CCO H60368 [0,1,0,1,0,0|0,0,0]=2 902 B8R1.8 C1COC(O1)CCBr A11441 [0,1,0,1,0,0|1,0,0]=3 903 B8R1.8 C1COC(O1)CC[Zn+] H58916 [0,1,0,1,0,0|1,0,0]=3 904 B8R1.8 C=CCC1CCCC1 B20228 [0,1,0,1,0,0|1,0,0]=3 905 B8R1.8 COC[C@@H]1CCCN1 L09608 [0,1,0,1,0,0|1,0,0]=3 906 B8R1.8 COC[C@H]1CCCN1 L19492 [0,1,0,1,0,0|1,0,0]=3 907 B8R1.11 CCN1CCCC1=O B24548 [0,1,0,1,0,0|0,0,2]=4 908 B8R1.11 CN1CCC[C@H]1CO H62573 [0,1,0,1,0,0|0,0,0]=2 909 B8R1.22 C1CC(=O)CCNC1 H66355 [0,1,0,1,0,0|0,0,2]=4 910 B8R1.22 C1CCC(=O)NCC1 L06999 [0,1,0,1,0,0|0,0,2]=4 911 B8R1.22 C1CCC(=O)OCC1 A10299 [0,1,0,1,0,0|0,0,1]=3 912 B8R1.22 C1CCC(=O)[N-]CC1 44686 [0,1,0,1,0,0|0,0,2]=4 913 B8R1.22 C1CCCC(=O)CC1 A13421 [0,1,0,1,0,0|0,0,1]=3 914 B8R1.22 C1CCCC(CC1)Br B23110 [0,1,0,1,0,0|1,0,0]=3 915 B8R1.22 C1CCCC(CC1)N L01699 [0,1,0,1,0,0|1,0,0]=3 916 B8R1.22 C1COCCNC1=O B22406 [0,1,0,1,0,0|1,0,1]=4 917 B8R1.22 CN1CCCNCC1 H55441 [0,1,0,1,0,0|2,0,0]=4 918 B8R1.36 C=CCOCC1CO1 L11634 [0,1,0,1,0,0|0,0,2]=4 919 B8R1.49 C1CCCCCCC1 L15000 [0,1,0,1,0,0|1,0,0]=3 920 B8R1.49 C1CCC\C=C/CC1 A13477 [0,1,0,1,0,0|1,0,0]=3 921 B8R1.49 C1CC\C=C/CCC1 44966 [0,1,0,1,0,0|1,0,0]=3 922 B8R1.1 C1CC(=O)N[C@@H]1CO L18359 [0,1,0,1,0,0|1,0,1]=4 923 B8R1.1 C1CC(=O)N[C@H]1CO L18358 [0,1,0,1,0,0|1,0,1]=4 924 B8R1.1 CCC1CCC(=O)C1 B20432 [0,1,0,1,0,0|0,0,2]=4 925 B8R1.1 CCC1CCC(=O)O1 A19642 [0,1,0,1,0,0|0,0,1]=3 926 B8R1.1 CCC1OCC(O1)C H31933 [0,1,0,1,0,0|1,0,0]=3 927 B8R1.1 CCC1OCC(O1)C H32187 [0,1,0,1,0,0|1,0,0]=3 928 B8R1.3 C1C(SCC(S1)O)O A14620 [0,1,0,1,0,0|2,0,0]=4 929 B8R1.3 C1CC(CCC1O)O B20446 [0,1,0,1,0,0|0,0,0]=2 930 B8R1.3 C1[C@@H](CC[C@@H](C1)O)N H66110 [0,1,0,1,0,0|0,0,0]=2 931 B8R1.3 C1[C@@H](CC[C@H](C1)O)N B22365 [0,1,0,1,0,0|0,0,0]=2 932 B8R1.3 C1[C@@H](CC[C@H](C1)O)N B25070 [0,1,0,1,0,0|0,0,0]=2 933 B8R1.3 CC1CCC(=O)CC1 A13186 [0,1,0,1,0,0|0,0,2]=4 934 B8R1.3 CC1CCC(CC1)Br L02640 [0,1,0,1,0,0|1,0,0]=3 935 B8R1.3 CC1CCC(CC1)N L06125 [0,1,0,1,0,0|1,0,0]=3 936 B8R1.3 CC1CCC(CC1)O A16734 [0,1,0,1,0,0|0,0,0]=2 937 B8R1.3 CN1CCC(CC1)Cl L05699 [0,1,0,1,0,0|2,0,0]=4 938 B8R1.3 CN1CCC(CC1)O L06415 [0,1,0,1,0,0|1,0,0]=3 939 B8R1.3 C[C@@H]1CN[C@H](CN1)C B23150 [0,1,0,1,0,0|2,0,0]=4 940 B8R1.3 C[C@H]1CC[C@@H](CC1)O B20054 [0,1,0,1,0,0|0,0,0]=2 941 B8R1.3 C[C@H]1CC[C@H](CC1)O B20792 [0,1,0,1,0,0|0,0,0]=2 942 B8R1.50 CC1CCC(C1O)O B20440 [0,1,0,1,0,0|0,0,0]=2 943 B8R1.52 C#CC1(CCCC1)O B23109 [0,1,0,1,0,0|1,0,1]=4 944 B8R1.52 CCC1(CCCC1)O H66809 [0,1,0,1,0,0|1,0,0]=3 945 B8R1.52 CC[N+]1(CCCC1)C H66050 [0,1,0,1,0,0|2,0,0]=4 946 B8R1.4 C1CC(CC(C1)O)O L04110 [0,1,0,1,0,0|0,0,0]=2 947 B8R1.4 CC1CC(CNC1)C B23435 [0,1,0,1,0,0|2,0,0]=4 948 B8R1.4 CC1CCCC(=O)O1 A19274 [0,1,0,1,0,0|0,0,1]=3 949 B8R1.4 CC1CCCC(N1)C B24524 [0,1,0,1,0,0|1,0,0]=3 950 B8R1.4 CC1CNCC(O1)C H25954 [0,1,0,1,0,0|1,0,0]=3 951 B8R1.4 CN1CCCC(C1)O L10829 [0,1,0,1,0,0|1,0,0]=3 952 B8R1.4 C[C@@H]1CNC[C@@H](N1)C L15684 [0,1,0,1,0,0|2,0,0]=4 953 B8R1.4 C[C@@H]1CNC[C@@H](O1)C L13007 [0,1,0,1,0,0|1,0,0]=3 954 B8R1.4 C[C@H]1CCC[C@H](C1)O B20288 [0,1,0,1,0,0|0,0,0]=2 955 B8R1.7 B(C1CCCC1)(O)O H27081 [0,1,0,1,0,0|1,0,0]=3 956 B8R1.7 C1CC(NC1)C(=O)O A13137 [0,1,0,1,0,0|1,0,1]=4 957 B8R1.7 C1CC(OC1)C(=O)O B22927 [0,1,0,1,0,0|1,0,1]=4 958 B8R1.7 C1CCC(C1)C(=O)Cl A14142 [0,1,0,1,0,0|0,0,2]=4 959 B8R1.7 C1CCC(C1)C(=O)O A12375 [0,1,0,1,0,0|0,0,1]=3 960 B8R1.7 C1CCC(C1)[N+](=O)[O-] L08029 [0,1,0,1,0,0|1,0,1]=4 961 B8R1.7 C1CNCC1C(=O)O H57365 [0,1,0,1,0,0|1,0,1]=4 962 B8R1.7 C1CNC[C@@H]1C(=O)O H57356 [0,1,0,1,0,0|1,0,1]=4 963 B8R1.7 C1CNC[C@H]1C(=O)O H57895 [0,1,0,1,0,0|1,0,1]=4 964 B8R1.7 C1COC[C@H]1C(=O)O H66392 [0,1,0,1,0,0|1,0,1]=4 965 B8R1.7 C1C[C@@H](NC1)C(=O)O A10682 [0,1,0,1,0,0|1,0,1]=4 966 B8R1.7 C1C[C@@H](OC1)C(=O)O L19410 [0,1,0,1,0,0|1,0,1]=4 967 B8R1.7 C1C[C@H](NC1)C(=O)O A10199 [0,1,0,1,0,0|1,0,1]=4 968 B8R1.7 C1C[C@H](OC1)C(=O)O L19411 [0,1,0,1,0,0|1,0,1]=4 969 B8R1.7 CC(=O)C1CCCC1 H64744 [0,1,0,1,0,0|0,0,2]=4 970 B8R1.7 CC(C1CCCC1)O L03446 [0,1,0,1,0,0|0,0,0]=2 971 B8R1.72 C1CC(CNC1)(F)F L19777 [0,1,0,1,0,0|2,0,0]=4 972 B8R1.72 C1CCS(=O)(=O)OC1 L03992 [0,1,0,1,0,0|2,0,0]=4 973 B8R1.72 C1CNCCC1(F)F L19555 [0,1,0,1,0,0|2,0,0]=4 974 B8R1.72 CC1(CCCCC1)O L00967 [0,1,0,1,0,0|0,0,0]=2 975 B8R1.72 CC1(CCCNC1)C H25753 [0,1,0,1,0,0|2,0,0]=4 976 B8R2.34 C1CC2CC1C=C2 L11103 [0,0,0,2,0,0|1,0,1]=4 977 B8R2.34 C1CC2CCC1O2 B22612 [0,0,0,2,0,0|0,0,0]=2 978 B8R2.34 C1[C@H]2CNC1CN2 L20170 [0,0,0,2,0,0|2,0,0]=4 979 B8R2.25 C1CCC2C(C1)O2 A13185 [0,0,0,2,0,0|0,0,0]=2 980 B8R2.42 C1CNC12COC2 H57658 [0,0,0,2,0,0|2,0,0]=4