0 B6R0.1 C(C#N)C(=O)NN B24370 [0,0,0,0,0,0|4,0,0]=4 1 B6R0.1 C(C(=O)NCO)Cl A12247 [0,0,0,0,0,0|4,0,0]=4 2 B6R0.1 C=COC(=O)CCl L09446 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.1 CCC(=O)CC#N H50789 [0,0,0,0,0,0|2,0,0]=2 4 B6R0.1 CCC(=O)OC=C L12931 [0,0,0,0,0,0|2,0,1]=3 5 B6R0.1 CCC(=O)OCC 15498 [0,0,0,0,0,0|2,0,0]=2 6 B6R0.1 CCC(=O)OCC A16650 [0,0,0,0,0,0|2,0,0]=2 7 B6R0.1 CCC(=O)SCC B24918 [0,0,0,0,0,0|2,0,0]=2 8 B6R0.1 CCC(=O)\C=C\C H27445 [0,0,0,0,0,0|1,0,1]=2 9 B6R0.1 CCC(C#CC)O L09727 [0,0,0,0,0,0|1,0,3]=4 10 B6R0.1 CCC(C)CCO B22356 [0,0,0,0,0,0|3,0,1]=4 11 B6R0.1 CCC(CC#C)O L05437 [0,0,0,0,0,0|1,0,3]=4 12 B6R0.1 CCCC(=O)C=C L07660 [0,0,0,0,0,0|1,0,2]=3 13 B6R0.1 CCCC(=O)CC B20791 [0,0,0,0,0,0|1,0,0]=1 14 B6R0.1 CCCC(=O)NN L01971 [0,0,0,0,0,0|3,0,0]=3 15 B6R0.1 CCCC(=O)OC L04250 [0,0,0,0,0,0|2,0,0]=2 16 B6R0.1 CCCC(=O)SC B22144 [0,0,0,0,0,0|2,0,0]=2 17 B6R0.1 CCCC(CC)Br L00818 [0,0,0,0,0,0|2,0,1]=3 18 B6R0.1 CCCC(CC)O B20210 [0,0,0,0,0,0|1,0,2]=3 19 B6R0.1 CCCC(CC)[Zn+] H58535 [0,0,0,0,0,0|2,0,1]=3 20 B6R0.1 CCC\C(=N\O)\N H50888 [0,0,0,0,0,0|4,0,0]=4 21 B6R0.1 CCOC(=O)C#C A15068 [0,0,0,0,0,0|2,0,2]=4 22 B6R0.1 CCOC(=O)C#N L15777 [0,0,0,0,0,0|3,0,1]=4 23 B6R0.1 CCOC(=O)C=C A15493 [0,0,0,0,0,0|2,0,2]=4 24 B6R0.1 CCOC(=O)C=O L19207 [0,0,0,0,0,0|3,0,1]=4 25 B6R0.1 CCOC(=O)CBr A10448 [0,0,0,0,0,0|3,0,0]=3 26 B6R0.1 CCOC(=O)CCl A15554 [0,0,0,0,0,0|3,0,0]=3 27 B6R0.1 CCOC(=O)CF H61340 [0,0,0,0,0,0|3,0,0]=3 28 B6R0.1 CCOC(=O)CI B24177 [0,0,0,0,0,0|3,0,0]=3 29 B6R0.1 CCOC(=O)CN A10315 [0,0,0,0,0,0|3,0,0]=3 30 B6R0.1 CCOC(=O)CO 41475 [0,0,0,0,0,0|3,0,0]=3 31 B6R0.1 CCOC(=O)CS A14321 [0,0,0,0,0,0|3,0,0]=3 32 B6R0.1 CCOC(=O)NN A13860 [0,0,0,0,0,0|4,0,0]=4 33 B6R0.1 CNCC(=O)OC L08572 [0,0,0,0,0,0|2,0,0]=2 34 B6R0.1 CNCC(CO)O L12653 [0,0,0,0,0,0|2,0,2]=4 35 B6R0.1 COC(=O)CC#N A15555 [0,0,0,0,0,0|3,0,0]=3 36 B6R0.1 COC(=O)CCBr L14127 [0,0,0,0,0,0|3,0,0]=3 37 B6R0.1 COC(=O)CCN H27483 [0,0,0,0,0,0|3,0,0]=3 38 B6R0.1 COC(=O)CCS B20718 [0,0,0,0,0,0|3,0,0]=3 39 B6R0.1 COC(=O)C[N+]#[C-] H31069 [0,0,0,0,0,0|2,0,1]=3 40 B6R0.1 COCC(=O)NN H65573 [0,0,0,0,0,0|2,1,0]=3 41 B6R0.1 COCC(=O)OC B22528 [0,0,0,0,0,0|1,1,0]=2 42 B6R0.1 COCC(CCl)O L16239 [0,0,0,0,0,0|1,1,2]=4 43 B6R0.1 COCC(CO)O L08011 [0,0,0,0,0,0|1,1,2]=4 44 B6R0.1 C\C=C\C(=O)OC A15363 [0,0,0,0,0,0|2,0,1]=3 45 B5R0.1 C(C#N)C(=O)N A12482 [1,0,0,0,0,0|3,0,0]=4 46 B5R0.1 C(C#N)C(=O)O A11045 [1,0,0,0,0,0|3,0,0]=4 47 B5R0.1 C(CBr)C(=O)Cl A10846 [1,0,0,0,0,0|3,0,0]=4 48 B5R0.1 C(CBr)C(=O)O A11573 [1,0,0,0,0,0|3,0,0]=4 49 B5R0.1 C(CCl)C(=O)Cl B25698 [1,0,0,0,0,0|3,0,0]=4 50 B5R0.1 C(CCl)C(=O)O B21744 [1,0,0,0,0,0|3,0,0]=4 51 B5R0.1 C(CI)C(=O)O L02655 [1,0,0,0,0,0|3,0,0]=4 52 B5R0.1 C(CN)C(=O)N H65365 [1,0,0,0,0,0|3,0,0]=4 53 B5R0.1 C(CN)C(=O)O A16665 [1,0,0,0,0,0|3,0,0]=4 54 B5R0.1 C(CS)C(=O)O A13261 [1,0,0,0,0,0|3,0,0]=4 55 B5R0.1 C=CCC(=O)O L07557 [1,0,0,0,0,0|2,0,1]=4 56 B5R0.1 CC#CC(=O)O A15542 [1,0,0,0,0,0|2,0,1]=4 57 B5R0.1 CC(=C)CCO B23398 [1,0,0,0,0,0|3,0,0]=4 58 B5R0.1 CC(=O)CC#N H64536 [1,0,0,0,0,0|2,0,0]=3 59 B5R0.1 CC(=O)CCO L11456 [1,0,0,0,0,0|2,0,0]=3 60 B5R0.1 CC(=O)CSC B24149 [1,0,0,0,0,0|0,0,0]=1 61 B5R0.1 CC(=O)NCO A13820 [1,0,0,0,0,0|3,0,0]=4 62 B5R0.1 CC(=O)OC=C A16247 [1,0,0,0,0,0|2,0,1]=4 63 B5R0.1 CC(=O)OCBr H56755 [1,0,0,0,0,0|3,0,0]=4 64 B5R0.1 CC(C)CNC 42947 [1,0,0,0,0,0|2,0,1]=4 65 B5R0.1 CC(COC)O 41547 [1,0,0,0,0,0|0,1,2]=4 66 B5R0.1 CC(COC)O L12694 [1,0,0,0,0,0|0,1,2]=4 67 B5R0.1 CC(COC)[O-] 41257 [1,0,0,0,0,0|0,1,2]=4 68 B5R0.1 CCCC(=C)C H53373 [1,0,0,0,0,0|2,0,0]=3 69 B5R0.1 CCCC(=O)C L13262 [1,0,0,0,0,0|1,0,0]=2 70 B5R0.1 CCCC(=O)Cl A17575 [1,0,0,0,0,0|2,0,0]=3 71 B5R0.1 CCCC(=O)N A12494 [1,0,0,0,0,0|2,0,0]=3 72 B5R0.1 CCCC(=O)O L13189 [1,0,0,0,0,0|2,0,0]=3 73 B5R0.1 CCCC(=O)[O-] A11079 [1,0,0,0,0,0|2,0,0]=3 74 B5R0.1 CCCC(C)Br A17205 [1,0,0,0,0,0|2,0,1]=4 75 B5R0.1 CCCC(C)C L03001 [1,0,0,0,0,0|2,0,1]=4 76 B5R0.1 CCCC(C)O B21217 [1,0,0,0,0,0|1,0,2]=4 77 B5R0.1 CCCC(C)[Zn+] H58078 [1,0,0,0,0,0|2,0,1]=4 78 B5R0.1 CCC[C@H](C)O L09314 [1,0,0,0,0,0|1,0,2]=4 79 B5R0.1 CCC[N+](=O)[O-] A11975 [1,0,0,0,0,0|3,0,0]=4 80 B5R0.1 CCNC(=O)C L10300 [1,0,0,0,0,0|2,0,0]=3 81 B5R0.1 CCNC(=O)N B24040 [1,0,0,0,0,0|3,0,0]=4 82 B5R0.1 CCOC(=N)C A18618 [1,0,0,0,0,0|3,0,0]=4 83 B5R0.1 CCOC(=O)C 22912 [1,0,0,0,0,0|2,0,0]=3 84 B5R0.1 CCOC(=O)C 31344 [1,0,0,0,0,0|2,0,0]=3 85 B5R0.1 CCOC(=O)C 39177 [1,0,0,0,0,0|2,0,0]=3 86 B5R0.1 CCOC(=O)C 40977 [1,0,0,0,0,0|2,0,0]=3 87 B5R0.1 CCOC(=O)C L10925 [1,0,0,0,0,0|2,0,0]=3 88 B5R0.1 CCOC(=O)Cl L06311 [1,0,0,0,0,0|3,0,0]=4 89 B5R0.1 CCOC(=O)N 44804 [1,0,0,0,0,0|3,0,0]=4 90 B5R0.1 CCSC(=O)C A10680 [1,0,0,0,0,0|2,0,0]=3 91 B5R0.1 CNCC(=O)N H65993 [1,0,0,0,0,0|2,0,0]=3 92 B5R0.1 CNCC(=O)O A14594 [1,0,0,0,0,0|2,0,0]=3 93 B5R0.1 CNCC(=O)O B25536 [1,0,0,0,0,0|2,0,0]=3 94 B5R0.1 COCC(=O)Cl L03210 [1,0,0,0,0,0|1,1,0]=3 95 B5R0.1 COCC(=O)O B22917 [1,0,0,0,0,0|1,1,0]=3 96 B5R0.1 CSCC(=O)O B22531 [1,0,0,0,0,0|1,0,0]=2 97 B5R0.1 CSCS(=O)C L00510 [1,0,0,0,0,0|1,0,0]=2 98 B5R0.1 C[C@@H](COC)N L16325 [1,0,0,0,0,0|1,1,1]=4 99 B5R0.1 C\C=C\C(=O)C L13031 [1,0,0,0,0,0|1,0,1]=3 100 B5R0.1 C\C=C\C(=O)Cl A13710 [1,0,0,0,0,0|2,0,1]=4 101 B5R0.1 C\C=C\C(=O)O A15765 [1,0,0,0,0,0|2,0,1]=4 102 B5R0.2 CCC#CCC L02682 [1,0,0,0,0,0|1,0,2]=4 103 B5R0.2 CCCC#CC B22405 [1,0,0,0,0,0|1,0,2]=4 104 B5R0.2 CCCCC#C A13156 [1,0,0,0,0,0|1,0,2]=4 105 B5R0.2 CCCCC#N A10306 [1,0,0,0,0,0|2,0,1]=4 106 B5R0.2 CCCCC=C B20271 [1,0,0,0,0,0|1,0,2]=4 107 B5R0.2 CCCCC=O B21389 [1,0,0,0,0,0|2,0,1]=4 108 B5R0.2 CCCCCBr A10821 [1,0,0,0,0,0|2,0,1]=4 109 B5R0.2 CCCCCC 19353 [1,0,0,0,0,0|1,0,1]=3 110 B5R0.2 CCCCCC 32454 [1,0,0,0,0,0|1,0,1]=3 111 B5R0.2 CCCCCC 39199 [1,0,0,0,0,0|1,0,1]=3 112 B5R0.2 CCCCCC 41727 [1,0,0,0,0,0|1,0,1]=3 113 B5R0.2 CCCCCC 42100 [1,0,0,0,0,0|1,0,1]=3 114 B5R0.2 CCCCCC 43263 [1,0,0,0,0,0|1,0,1]=3 115 B5R0.2 CCCCCC 47104 [1,0,0,0,0,0|1,0,1]=3 116 B5R0.2 CCCCCC L09938 [1,0,0,0,0,0|1,0,1]=3 117 B5R0.2 CCCCCC L13233 [1,0,0,0,0,0|1,0,1]=3 118 B5R0.2 CCCCCCl B24733 [1,0,0,0,0,0|2,0,1]=4 119 B5R0.2 CCCCCI B20781 [1,0,0,0,0,0|2,0,1]=4 120 B5R0.2 CCCCCN A11674 [1,0,0,0,0,0|2,0,1]=4 121 B5R0.2 CCCCCO 30898 [1,0,0,0,0,0|2,0,1]=4 122 B5R0.2 CCCCCO A13093 [1,0,0,0,0,0|2,0,1]=4 123 B5R0.2 CCCCCO H33391 [1,0,0,0,0,0|2,0,1]=4 124 B5R0.2 CCCCCS L04330 [1,0,0,0,0,0|2,0,1]=4 125 B5R0.2 CCCCC[Mg+] 41278 [1,0,0,0,0,0|2,0,1]=4 126 B5R0.2 CCCCC[Mg+] H51175 [1,0,0,0,0,0|2,0,1]=4 127 B5R0.2 CCCCC[O-] 36569 [1,0,0,0,0,0|2,0,1]=4 128 B5R0.2 CCCCC[Zn+] H58633 [1,0,0,0,0,0|2,0,1]=4 129 B5R0.2 CCCCNC B23032 [1,0,0,0,0,0|1,0,1]=3 130 B5R0.2 CCCCSC L12039 [1,0,0,0,0,0|0,0,1]=2 131 B5R0.2 CCCNCC 14846 [1,0,0,0,0,0|2,0,0]=3 132 B5R0.2 CCC\C=C/C H53506 [1,0,0,0,0,0|1,0,1]=3 133 B5R0.2 CCC\C=C\C B22289 [1,0,0,0,0,0|1,0,1]=3 134 B5R0.2 CCC\C=C\C H53472 [1,0,0,0,0,0|1,0,1]=3 135 B5R0.2 CCC\C=N\O A11420 [1,0,0,0,0,0|3,0,0]=4 136 B5R0.2 CCNCCN B23577 [1,0,0,0,0,0|3,0,0]=4 137 B5R0.2 CCNCCO A15744 [1,0,0,0,0,0|3,0,0]=4 138 B5R0.2 CCNNCC B22317 [1,0,0,0,0,0|3,0,0]=4 139 B5R0.2 CCOCC=C B22276 [1,0,0,0,0,0|2,0,1]=4 140 B5R0.2 CCOCCBr L04034 [1,0,0,0,0,0|3,0,0]=4 141 B5R0.2 CCOCCCl B24308 [1,0,0,0,0,0|3,0,0]=4 142 B5R0.2 CCOCCO A16100 [1,0,0,0,0,0|3,0,0]=4 143 B5R0.2 CCO\C=C\C H26319 [1,0,0,0,0,0|2,0,1]=4 144 B5R0.2 CCSCC=C L12847 [1,0,0,0,0,0|2,0,1]=4 145 B5R0.2 CCSCCN B22147 [1,0,0,0,0,0|3,0,0]=4 146 B5R0.2 CCSCCO L05040 [1,0,0,0,0,0|3,0,0]=4 147 B5R0.2 CCSSCC L10065 [1,0,0,0,0,0|3,0,0]=4 148 B5R0.2 CC\C=C/CC H53485 [1,0,0,0,0,0|1,0,1]=3 149 B5R0.2 CC\C=C/CO A14262 [1,0,0,0,0,0|2,0,1]=4 150 B5R0.2 CC\C=C\C=O L06108 [1,0,0,0,0,0|2,0,1]=4 151 B5R0.2 CC\C=C\CC L10311 [1,0,0,0,0,0|1,0,1]=3 152 B5R0.2 CNCCCN B23319 [1,0,0,0,0,0|2,0,1]=4 153 B5R0.2 CNCCCO H58818 [1,0,0,0,0,0|2,0,1]=4 154 B5R0.2 CNCCNC L02204 [1,0,0,0,0,0|2,0,1]=4 155 B5R0.2 COCCCN B24095 [1,0,0,0,0,0|1,1,1]=4 156 B5R0.2 COCCOC 45659 [1,0,0,0,0,0|1,1,1]=4 157 B5R0.2 COCCOC A12986 [1,0,0,0,0,0|1,1,1]=4 158 B5R0.2 CSCCC=O A14774 [1,0,0,0,0,0|1,0,2]=4 159 B5R0.2 CSCCCN H25846 [1,0,0,0,0,0|1,0,1]=3 160 B5R0.2 CSCCCO A10403 [1,0,0,0,0,0|1,0,1]=3 161 B5R0.2 C\C=C\C=C\C H53404 [1,0,0,0,0,0|1,0,2]=4 162 B5R0.2 C\C=C\CC=C B20060 [1,0,0,0,0,0|1,0,2]=4 163 B5R0.3 C(C(=O)CBr)Br H37325 [1,0,0,0,0,0|2,0,0]=3 164 B5R0.3 C(C(=O)CCl)Cl 22302 [1,0,0,0,0,0|2,0,0]=3 165 B5R0.3 C(C(=O)CCl)Cl A14149 [1,0,0,0,0,0|2,0,0]=3 166 B5R0.3 C(C(=O)CF)F H51145 [1,0,0,0,0,0|2,0,0]=3 167 B5R0.3 C(C(CS)O)O A18948 [1,0,0,0,0,0|1,0,2]=4 168 B5R0.3 C(C(CS)S)O L03953 [1,0,0,0,0,0|1,1,1]=4 169 B5R0.3 CCC(=C)C=O B21839 [1,0,0,0,0,0|1,1,1]=4 170 B5R0.3 CCC(=C)CC L11553 [1,0,0,0,0,0|1,0,0]=2 171 B5R0.3 CCC(=O)C=C L06829 [1,0,0,0,0,0|0,0,2]=3 172 B5R0.3 CCC(=O)CBr L12081 [1,0,0,0,0,0|1,0,0]=2 173 B5R0.3 CCC(=O)CC A15297 [1,0,0,0,0,0|0,0,0]=1 174 B5R0.3 CCC(=O)OC A14944 [1,0,0,0,0,0|0,1,0]=2 175 B5R0.3 CCC(C)CBr H27078 [1,0,0,0,0,0|2,0,1]=4 176 B5R0.3 CCC(C)CC L03133 [1,0,0,0,0,0|1,0,1]=3 177 B5R0.3 CCC(C)CO B21825 [1,0,0,0,0,0|1,1,1]=4 178 B5R0.3 CCC(C)CS B21949 [1,0,0,0,0,0|1,0,1]=3 179 B5R0.3 CCC(C)NC H27547 [1,0,0,0,0,0|2,0,1]=4 180 B5R0.3 CCC(C)OC H53427 [1,0,0,0,0,0|1,1,1]=4 181 B5R0.3 CCC(C)SC B21942 [1,0,0,0,0,0|1,0,1]=3 182 B5R0.3 CCC(CBr)Br B20356 [1,0,0,0,0,0|2,0,1]=4 183 B5R0.3 CCC(CC)Br L13576 [1,0,0,0,0,0|1,0,1]=3 184 B5R0.3 CCC(CC)N L02250 [1,0,0,0,0,0|1,0,1]=3 185 B5R0.3 CCC(CC)O L06065 [1,0,0,0,0,0|0,0,2]=3 186 B5R0.3 CCC(CC)[Zn+] H58214 [1,0,0,0,0,0|1,0,1]=3 187 B5R0.3 CCC(CCl)Cl B21307 [1,0,0,0,0,0|2,0,1]=4 188 B5R0.3 CCC(CO)N B24398 [1,0,0,0,0,0|1,1,1]=4 189 B5R0.3 CCN(CC)O B23302 [1,0,0,0,0,0|1,0,1]=3 190 B5R0.3 CCP(=O)CC H27768 [1,0,0,0,0,0|1,0,0]=2 191 B5R0.3 CCP(CC)Cl 30204 [1,0,0,0,0,0|2,0,0]=3 192 B5R0.3 CC[C@@H](CO)N L11449 [1,0,0,0,0,0|1,1,1]=4 193 B5R0.3 CC[C@H](C)CN L14063 [1,0,0,0,0,0|2,0,1]=4 194 B5R0.3 CC[C@H](CO)N B25212 [1,0,0,0,0,0|1,1,1]=4 195 B5R0.3 CC\C(=N\O)\C L08196 [1,0,0,0,0,0|2,1,0]=4 196 B5R0.3 CC\C(=N\O)\N H50889 [1,0,0,0,0,0|2,1,0]=4 197 B5R0.3 CNC(=N)SC H27439 [1,0,0,0,0,0|2,0,0]=3 198 B5R0.3 CNC(=O)CCl H32362 [1,0,0,0,0,0|2,0,0]=3 199 B5R0.3 CNC(=O)CN H65367 [1,0,0,0,0,0|2,0,0]=3 200 B5R0.3 CNC(=O)NC B21329 [1,0,0,0,0,0|2,0,0]=3 201 B5R0.3 COC(=O)C#C A14743 [1,0,0,0,0,0|0,1,2]=4 202 B5R0.3 COC(=O)C=C A13128 [1,0,0,0,0,0|0,1,2]=4 203 B5R0.3 COC(=O)CBr A10605 [1,0,0,0,0,0|1,1,0]=3 204 B5R0.3 COC(=O)CCl A10325 [1,0,0,0,0,0|1,1,0]=3 205 B5R0.3 COC(=O)CN A14083 [1,0,0,0,0,0|1,1,0]=3 206 B5R0.3 COC(=O)CO A17870 [1,0,0,0,0,0|1,1,0]=3 207 B5R0.3 COC(=O)CS L03783 [1,0,0,0,0,0|1,0,0]=2 208 B5R0.3 COC(=O)NN A14548 [1,0,0,0,0,0|2,1,0]=4 209 B5R0.3 COC(=O)OC A13104 [1,0,0,0,0,0|1,1,0]=3 210 B5R0.3 COC(=O)SCl L04350 [1,0,0,0,0,0|2,0,0]=3 211 B7R0.2 CC(=CC(=O)OC)C L19731 [0,1,0,0,0,0|2,0,1]=4 212 B7R0.2 CC(=O)CC(=O)OC A13696 [0,1,0,0,0,0|2,0,0]=3 213 B7R0.2 CC(C)CC(=O)OC L06241 [0,1,0,0,0,0|2,0,0]=3 214 B7R0.2 CC(C)NC(=O)CCl B24863 [0,1,0,0,0,0|3,0,0]=4 215 B7R0.2 CC(C)OC(=O)CCl A19070 [0,1,0,0,0,0|3,0,0]=4 216 B7R0.2 CC(C)OC(=O)CN H50249 [0,1,0,0,0,0|3,0,0]=4 217 B7R0.2 CC(C)OC(=O)CO H50334 [0,1,0,0,0,0|3,0,0]=4 218 B7R0.2 CC(C)OC(=O)OC L15314 [0,1,0,0,0,0|3,0,0]=4 219 B7R0.2 CCC(=O)OC(C)C A19052 [0,1,0,0,0,0|2,0,0]=3 220 B7R0.2 CN(C)CC(=O)OC L11897 [0,1,0,0,0,0|2,0,0]=3 221 B7R0.2 COC(=O)CC(=O)N B25326 [0,1,0,0,0,0|3,0,0]=4 222 B7R0.2 COC(=O)CC(=O)O H27772 [0,1,0,0,0,0|3,0,0]=4 223 B7R0.2 COC(=O)CC(=O)[O-] L20429 [0,1,0,0,0,0|3,0,0]=4 224 B7R0.2 COC(=O)C[N+](=O)[O-] L18950 [0,1,0,0,0,0|3,0,0]=4 225 B7R0.2 C[C@@H](CC(=O)OC)O L19996 [0,1,0,0,0,0|2,0,0]=3 226 B7R0.2 C[C@H](CC(=O)OC)O L14151 [0,1,0,0,0,0|2,0,0]=3 227 B7R0.2 C\C(=C\C(=O)OC)\N B24953 [0,1,0,0,0,0|2,0,1]=4 228 B7R0.3 C(CC(=O)NN)CO A12351 [0,1,0,0,0,0|3,0,0]=4 229 B7R0.3 C=CCOC(=O)CCl L11531 [0,1,0,0,0,0|2,0,1]=4 230 B7R0.3 CCC(=O)OCC#C L09371 [0,1,0,0,0,0|1,0,1]=3 231 B7R0.3 CCC(=O)SCC=C B22532 [0,1,0,0,0,0|1,0,1]=3 232 B7R0.3 CCCCC(=O)CC A16977 [0,1,0,0,0,0|1,0,0]=2 233 B7R0.3 CCCCC(=O)NN L01555 [0,1,0,0,0,0|3,0,0]=4 234 B7R0.3 CCCCC(=O)OC B24828 [0,1,0,0,0,0|2,0,0]=3 235 B7R0.3 CCCCC(C)CC L12006 [0,1,0,0,0,0|2,0,1]=4 236 B7R0.3 CCCCC(CC)Br L04427 [0,1,0,0,0,0|2,0,1]=4 237 B7R0.3 CCCCC(CC)[Zn+] H58866 [0,1,0,0,0,0|2,0,1]=4 238 B7R0.3 CCCOC(=O)C=C L09714 [0,1,0,0,0,0|1,0,2]=4 239 B7R0.3 CCCOC(=O)CBr L11951 [0,1,0,0,0,0|2,0,0]=3 240 B7R0.3 CCCOC(=O)CC B20680 [0,1,0,0,0,0|1,0,0]=2 241 B7R0.3 CCCOC(=O)CN H50250 [0,1,0,0,0,0|2,0,0]=3 242 B7R0.3 CC\C(=C\CCBr)\C L19407 [0,1,0,0,0,0|2,0,1]=4 243 B7R0.3 COC(=O)CCCBr L12636 [0,1,0,0,0,0|2,0,0]=3 244 B7R0.3 COC(=O)CCCCl L03734 [0,1,0,0,0,0|2,0,0]=3 245 B7R0.3 COC(=O)CCSC A10649 [0,1,0,0,0,0|1,0,0]=2 246 B7R0.3 COC(=O)CN=C=S L11046 [0,1,0,0,0,0|2,0,1]=4 247 B7R0.3 COC(=O)\C=C\CBr A15582 [0,1,0,0,0,0|2,0,1]=4 248 B7R0.3 CSCC[C@@H](CO)N B24211 [0,1,0,0,0,0|2,0,1]=4 249 B7R0.5 CCCC(=O)C(=O)C L04669 [0,1,0,0,0,0|1,0,1]=3 250 B7R0.5 CCCC(=O)N(C)C L05556 [0,1,0,0,0,0|2,0,0]=3 251 B7R0.5 CCOC(=O)C(=C)C A17518 [0,1,0,0,0,0|2,0,1]=4 252 B7R0.5 CCOC(=O)C(=O)C A15045 [0,1,0,0,0,0|2,0,1]=4 253 B7R0.5 CCOC(=O)C(Br)Br B23209 [0,1,0,0,0,0|3,0,0]=4 254 B7R0.5 CCOC(=O)C(C)Br A10820 [0,1,0,0,0,0|2,0,0]=3 255 B7R0.5 CCOC(=O)C(C)C A12966 [0,1,0,0,0,0|2,0,0]=3 256 B7R0.5 CCOC(=O)C(C)Cl L13410 [0,1,0,0,0,0|2,0,0]=3 257 B7R0.5 CCOC(=O)C(C)N L11020 [0,1,0,0,0,0|2,0,0]=3 258 B7R0.5 CCOC(=O)C(C)O A10900 [0,1,0,0,0,0|2,0,0]=3 259 B7R0.5 CCOC(=O)C(C)S L11520 [0,1,0,0,0,0|2,0,0]=3 260 B7R0.5 CCOC(=O)C(F)Br B21579 [0,1,0,0,0,0|3,0,0]=4 261 B7R0.5 CCOC(=O)C(F)Cl A14196 [0,1,0,0,0,0|3,0,0]=4 262 B7R0.5 CCOC(=O)C(F)F A11215 [0,1,0,0,0,0|3,0,0]=4 263 B7R0.5 CCOC(=O)[C@@H](C)N H62791 [0,1,0,0,0,0|2,0,0]=3 264 B7R0.5 CCOC(=O)[C@H](C)N A11271 [0,1,0,0,0,0|2,0,0]=3 265 B7R0.5 CN(C)C(=O)CC#N A10981 [0,1,0,0,0,0|3,0,0]=4 266 B7R0.7 CCCC(=O)CCC B21222 [0,1,0,0,0,0|1,0,0]=2 267 B7R0.7 CCCC(=O)OCC L06025 [0,1,0,0,0,0|1,0,0]=2 268 B7R0.7 CCCC(CCC)Br H60807 [0,1,0,0,0,0|2,0,1]=4 269 B7R0.7 CCCC(CCC)Br L04807 [0,1,0,0,0,0|2,0,1]=4 270 B7R0.7 CCCC(CCC)[Zn+] H58039 [0,1,0,0,0,0|2,0,1]=4 271 B7R0.7 CCCC(CCO)S B21965 [0,1,0,0,0,0|1,1,1]=4 272 B7R0.7 CCCN(C)CCC H65077 [0,1,0,0,0,0|3,0,0]=4 273 B7R0.7 CCNC(=O)NCC L02079 [0,1,0,0,0,0|2,0,0]=3 274 B7R0.7 CCNC(=S)NCC A17143 [0,1,0,0,0,0|2,1,0]=4 275 B7R0.7 CCOC(=O)C#CC B25370 [0,1,0,0,0,0|1,0,1]=3 276 B7R0.7 CCOC(=O)CC#N A11498 [0,1,0,0,0,0|2,0,0]=3 277 B7R0.7 CCOC(=O)CCBr A12402 [0,1,0,0,0,0|2,0,0]=3 278 B7R0.7 CCOC(=O)CCCl B23907 [0,1,0,0,0,0|2,0,0]=3 279 B7R0.7 CCOC(=O)CCN A17277 [0,1,0,0,0,0|2,0,0]=3 280 B7R0.7 CCOC(=O)CC[Zn+] H26739 [0,1,0,0,0,0|2,0,0]=3 281 B7R0.7 CCOC(=O)CNC A13112 [0,1,0,0,0,0|1,0,0]=2 282 B7R0.7 CCOC(=O)CNN H60042 [0,1,0,0,0,0|2,0,0]=3 283 B7R0.7 CCOC(=O)COC A18770 [0,1,0,0,0,0|0,1,0]=2 284 B7R0.7 CCOC(=O)CSC B24285 [0,1,0,0,0,0|0,0,0]=1 285 B7R0.7 CCOC(=O)C[N+]#[C-] L15379 [0,1,0,0,0,0|1,0,1]=3 286 B7R0.7 CCOC(=O)N=C=S L00911 [0,1,0,0,0,0|3,0,0]=4 287 B7R0.7 CCOC(=O)OCC A12477 [0,1,0,0,0,0|2,0,0]=3 288 B7R0.7 CCOC(=O)\C=C\C A12529 [0,1,0,0,0,0|1,0,1]=3 289 B7R0.7 CSCC(CSC)O B21893 [0,1,0,0,0,0|0,0,2]=3 290 B7R0.10 CC(C(=O)OC)OC L13527 [0,1,0,0,0,0|1,1,0]=3 291 B7R0.10 CC(C(=O)OC)SC B21979 [0,1,0,0,0,0|1,0,0]=2 292 B7R0.10 CCC(=O)C(=O)CC L06655 [0,1,0,0,0,0|1,0,1]=3 293 B7R0.10 CCC(C(=O)OC)Br A19468 [0,1,0,0,0,0|2,0,0]=3 294 B7R0.10 CCC(C)C(=O)OC L08103 [0,1,0,0,0,0|2,0,0]=3 295 B7R0.10 CCC(C)C(C)CC H53498 [0,1,0,0,0,0|2,0,1]=4 296 B7R0.10 CN(C(=O)CCl)OC L17048 [0,1,0,0,0,0|2,1,0]=4 297 B7R0.10 CNC(=O)C(=O)NC A11333 [0,1,0,0,0,0|2,0,1]=4 298 B7R0.10 COC(=O)C(=O)OC A15359 [0,1,0,0,0,0|1,1,1]=4 299 B7R0.10 COC(=O)C(CCl)Cl B21993 [0,1,0,0,0,0|3,0,0]=4 300 B7R0.10 COC(=O)C(CF)Br H31790 [0,1,0,0,0,0|3,0,0]=4 301 B7R0.10 COC(=O)C(CO)Cl H27623 [0,1,0,0,0,0|3,0,0]=4 302 B7R0.10 COC(=O)C(CO)N A13904 [0,1,0,0,0,0|3,0,0]=4 303 B7R0.10 COC(=O)[C@@H](CO)N H63685 [0,1,0,0,0,0|3,0,0]=4 304 B7R0.10 COC(=O)[C@H](CO)N A12355 [0,1,0,0,0,0|3,0,0]=4 305 B7R0.10 C[C@@H](CO)C(=O)OC 44483 [0,1,0,0,0,0|3,0,0]=4 306 B7R0.10 C\C=C(/C)\C(=O)OC A11964 [0,1,0,0,0,0|2,0,1]=4 307 B7R0.11 CCCC(C)(CC)Cl B20277 [0,1,0,0,0,0|2,0,1]=4 308 B7R0.11 CCCC(C)(CC)O L04625 [0,1,0,0,0,0|1,0,2]=4 309 B7R0.11 CCS(=O)(=O)CCO B20180 [0,1,0,0,0,0|3,0,0]=4 310 B7R0.12 COC(CSC)OC B22667 [0,1,0,0,0,0|1,0,2]=4 311 B7R1.1 CC=C1CCCC1 B20209 [0,0,0,1,0,0|2,0,1]=4 312 B7R1.1 CCC1=CC=CC1 39253 [0,0,0,1,0,0|2,0,1]=4 313 B7R1.1 CCC1=CC=CC1 H27592 [0,0,0,1,0,0|2,0,1]=4 314 B7R1.1 CCC1=CC=CC1 H27618 [0,0,0,1,0,0|2,0,1]=4 315 B7R1.1 CCC1=CC=CC1 H27769 [0,0,0,1,0,0|2,0,1]=4 316 B7R1.1 CCC1=NCCO1 B23287 [0,0,0,1,0,0|2,0,1]=4 317 B7R1.2 C1C(=O)COC1=O A14079 [0,0,0,1,0,0|3,0,0]=4 318 B7R1.2 C1C(COC1=O)O L20257 [0,0,0,1,0,0|3,0,0]=4 319 B7R1.2 C1CC(=O)CC1=O L10336 [0,0,0,1,0,0|2,0,0]=3 320 B7R1.2 C1CC(=O)NC1=O A13503 [0,0,0,1,0,0|3,0,0]=4 321 B7R1.2 C1CC(=O)OC1=O A12245 [0,0,0,1,0,0|3,0,0]=4 322 B7R1.2 C1[C@@H](CNC1=O)O H66455 [0,0,0,1,0,0|3,0,0]=4 323 B7R1.2 C1[C@@H](COC1=O)O L20256 [0,0,0,1,0,0|3,0,0]=4 324 B7R1.2 C1[C@H](CNC1=O)O H66006 [0,0,0,1,0,0|3,0,0]=4 325 B7R1.2 C1[C@H](COC1=O)O L20255 [0,0,0,1,0,0|3,0,0]=4 326 B7R1.2 CC1=CC(=O)CC1 A13993 [0,0,0,1,0,0|1,0,1]=3 327 B7R1.2 CC1=CCC(=O)O1 L07602 [0,0,0,1,0,0|2,0,1]=4 328 B7R1.2 CC1=NNC(=O)C1 A10253 [0,0,0,1,0,0|3,0,0]=4 329 B7R1.2 CC1CCC(=O)C1 L04940 [0,0,0,1,0,0|1,0,0]=2 330 B7R1.2 CC1CCC(=O)O1 A18872 [0,0,0,1,0,0|2,0,0]=3 331 B7R1.2 CC1COC(=O)O1 A15552 [0,0,0,1,0,0|3,0,0]=4 332 B7R1.2 CN1CCC(=O)C1 H57585 [0,0,0,1,0,0|1,0,0]=2 333 B7R1.2 CN1CCC(C1)Br H66250 [0,0,0,1,0,0|2,0,1]=4 334 B7R1.2 CN1CCC(C1)O H28122 [0,0,0,1,0,0|1,0,2]=4 335 B7R1.2 CN1CC[C@@H](C1)O L19695 [0,0,0,1,0,0|1,0,2]=4 336 B7R1.2 CN1CC[C@H](C1)O L19694 [0,0,0,1,0,0|1,0,2]=4 337 B7R1.3 C1CC(CNC1)F L19776 [0,0,0,1,0,0|2,0,1]=4 338 B7R1.3 C1CC(CNC1)N H57306 [0,0,0,1,0,0|2,0,1]=4 339 B7R1.3 C1CC(CNC1)O H55983 [0,0,0,1,0,0|1,0,2]=4 340 B7R1.3 C1CC(CNC1)O L01333 [0,0,0,1,0,0|1,0,2]=4 341 B7R1.3 C1CC=CC(=O)C1 A15435 [0,0,0,1,0,0|1,0,1]=3 342 B7R1.3 C1CCC(=O)CC1 33309 [0,0,0,1,0,0|1,0,0]=2 343 B7R1.3 C1CCC(=O)CC1 A15607 [0,0,0,1,0,0|1,0,0]=2 344 B7R1.3 C1CCC(CC1)Br 31031 [0,0,0,1,0,0|2,0,1]=4 345 B7R1.3 C1CCC(CC1)Br A11593 [0,0,0,1,0,0|2,0,1]=4 346 B7R1.3 C1CCC(CC1)Cl L04349 [0,0,0,1,0,0|2,0,1]=4 347 B7R1.3 C1CCC(CC1)F L13015 [0,0,0,1,0,0|2,0,1]=4 348 B7R1.3 C1CCC(CC1)I B24840 [0,0,0,1,0,0|2,0,1]=4 349 B7R1.3 C1CCC(CC1)N A15851 [0,0,0,1,0,0|2,0,1]=4 350 B7R1.3 C1CCC(CC1)N A17308 [0,0,0,1,0,0|2,0,1]=4 351 B7R1.3 C1CCC(CC1)N A18439 [0,0,0,1,0,0|2,0,1]=4 352 B7R1.3 C1CCC(CC1)O A17576 [0,0,0,1,0,0|1,0,2]=4 353 B7R1.3 C1CCC(CC1)S 39540 [0,0,0,1,0,0|1,1,1]=4 354 B7R1.3 C1CCC(CC1)S B21656 [0,0,0,1,0,0|1,1,1]=4 355 B7R1.3 C1CCC(CC1)[Mg+] H51165 [0,0,0,1,0,0|2,0,1]=4 356 B7R1.3 C1CCC(CC1)[Zn+] H58852 [0,0,0,1,0,0|2,0,1]=4 357 B7R1.3 C1CCN(CC1)N B25746 [0,0,0,1,0,0|3,0,0]=4 358 B7R1.3 C1CCN(CC1)N L14078 [0,0,0,1,0,0|3,0,0]=4 359 B7R1.3 C1CCNC(=O)C1 A12271 [0,0,0,1,0,0|2,0,0]=3 360 B7R1.3 C1CCOC(=O)C1 L04794 [0,0,0,1,0,0|2,0,0]=3 361 B7R1.3 C1CNC(=O)CN1 B24131 [0,0,0,1,0,0|2,0,0]=3 362 B7R1.3 C1CNCCC1=O A13726 [0,0,0,1,0,0|2,0,0]=3 363 B7R1.3 C1COC(=O)C=C1 L14909 [0,0,0,1,0,0|2,0,1]=4 364 B7R1.3 C1COCCC1=O A19010 [0,0,0,1,0,0|2,0,0]=3 365 B7R1.3 C1CSCCC1=O A15872 [0,0,0,1,0,0|2,0,0]=3 366 B7R1.3 C1C[C@@H](CNC1)N H27700 [0,0,0,1,0,0|2,0,1]=4 367 B7R1.3 C1C[C@H](CNC1)N H27683 [0,0,0,1,0,0|2,0,1]=4 368 B7R1.3 C1C[C@H](CNC1)O H56847 [0,0,0,1,0,0|1,0,2]=4 369 B7R1.3 CC1=CCCCC1 L15014 [0,0,0,1,0,0|2,0,1]=4 370 B7R1.3 CC1CCCCC1 31861 [0,0,0,1,0,0|2,0,1]=4 371 B7R1.3 CC1CCCCC1 A16057 [0,0,0,1,0,0|2,0,1]=4 372 B7R1.3 CC1CCCNC1 L13408 [0,0,0,1,0,0|2,0,1]=4 373 B7R1.3 CN1CCCCC1 L03398 [0,0,0,1,0,0|3,0,0]=4 374 B7R1.4 C1CC(C(=O)C1)Cl B22573 [0,0,0,1,0,0|2,0,0]=3 375 B7R1.4 C1CNC(=O)C1O H57961 [0,0,0,1,0,0|3,0,0]=4 376 B7R1.4 C1COC(=O)C1Br A17344 [0,0,0,1,0,0|3,0,0]=4 377 B7R1.4 C1COC(=O)[C@H]1N B23148 [0,0,0,1,0,0|3,0,0]=4 378 B7R1.4 C1CSC(=O)C1N L09077 [0,0,0,1,0,0|3,0,0]=4 379 B7R1.4 C1[C@H](C(=O)NO1)N A18000 [0,0,0,1,0,0|2,1,0]=4 380 B7R1.4 CC1C(=O)CCO1 B20890 [0,0,0,1,0,0|2,0,0]=3 381 B7R1.4 CC1C(=O)CCS1 L10083 [0,0,0,1,0,0|2,0,0]=3 382 B7R1.4 CC1CCCC1O A19978 [0,0,0,1,0,0|1,0,2]=4 383 B7R1.4 CN1CCCC1=O 38986 [0,0,0,1,0,0|2,0,0]=3 384 B7R1.4 CN1CCCC1=O 39176 [0,0,0,1,0,0|2,0,0]=3 385 B7R1.4 CN1CCCC1=O 43741 [0,0,0,1,0,0|2,0,0]=3 386 B7R1.4 CN1CCCC1=O 43894 [0,0,0,1,0,0|2,0,0]=3 387 B7R1.4 CN1CCCC1=O 44063 [0,0,0,1,0,0|2,0,0]=3 388 B7R1.4 CN1CCCC1=O A12260 [0,0,0,1,0,0|2,0,0]=3 389 B7R1.22 COC(=O)C1CC1 B20853 [0,0,0,1,0,0|2,0,0]=3 390 B4R0.1 C(=O)(SCl)Cl L06432 [2,0,0,0,0,0|2,0,0]=4 391 B4R0.1 C(C(=O)Br)Br A19580 [2,0,0,0,0,0|2,0,0]=4 392 B4R0.1 C(C(=O)Cl)Cl A15846 [2,0,0,0,0,0|2,0,0]=4 393 B4R0.1 C(C(=O)Cl)I L04428 [2,0,0,0,0,0|2,0,0]=4 394 B4R0.1 C(C(=O)N)Br A11926 [2,0,0,0,0,0|2,0,0]=4 395 B4R0.1 C(C(=O)N)Cl A15238 [2,0,0,0,0,0|2,0,0]=4 396 B4R0.1 C(C(=O)N)I A14715 [2,0,0,0,0,0|2,0,0]=4 397 B4R0.1 C(C(=O)N)N A11128 [2,0,0,0,0,0|2,0,0]=4 398 B4R0.1 C(C(=O)O)Br A14403 [2,0,0,0,0,0|1,1,0]=4 399 B4R0.1 C(C(=O)O)Cl 41724 [2,0,0,0,0,0|1,1,0]=4 400 B4R0.1 C(C(=O)O)Cl A11482 [2,0,0,0,0,0|1,1,0]=4 401 B4R0.1 C(C(=O)O)I A12410 [2,0,0,0,0,0|1,1,0]=4 402 B4R0.1 C(C(=O)O)N 36435 [2,0,0,0,0,0|1,1,0]=4 403 B4R0.1 C(C(=O)O)N 43497 [2,0,0,0,0,0|1,1,0]=4 404 B4R0.1 C(C(=O)O)N A12162 [2,0,0,0,0,0|1,1,0]=4 405 B4R0.1 C(C(=O)O)N A13816 [2,0,0,0,0,0|1,1,0]=4 406 B4R0.1 C(C(=O)O)N J60154 [2,0,0,0,0,0|1,1,0]=4 407 B4R0.1 C(C(=O)O)N J61855 [2,0,0,0,0,0|1,1,0]=4 408 B4R0.1 C(C(=O)O)N J62407 [2,0,0,0,0,0|1,1,0]=4 409 B4R0.1 C(C(=O)O)N J62527 [2,0,0,0,0,0|1,1,0]=4 410 B4R0.1 C(C(=O)O)N J64365 [2,0,0,0,0,0|1,1,0]=4 411 B4R0.1 C(C(=O)O)N J67094 [2,0,0,0,0,0|1,1,0]=4 412 B4R0.1 C(C(=O)O)N J67147 [2,0,0,0,0,0|1,1,0]=4 413 B4R0.1 C(C(=O)O)N J67349 [2,0,0,0,0,0|1,1,0]=4 414 B4R0.1 C(C(=O)O)O A12511 [2,0,0,0,0,0|1,1,0]=4 415 B4R0.1 C(C(=O)O)O L14980 [2,0,0,0,0,0|1,1,0]=4 416 B4R0.1 C(C(=O)O)S B20391 [2,0,0,0,0,0|1,0,0]=3 417 B4R0.1 C(C(=O)[O-])Br L14983 [2,0,0,0,0,0|1,1,0]=4 418 B4R0.1 C(C(=O)[O-])Cl A12379 [2,0,0,0,0,0|1,1,0]=4 419 B4R0.1 C(C(=O)[O-])O 39456 [2,0,0,0,0,0|1,1,0]=4 420 B4R0.1 C(C(=O)[O-])O A12341 [2,0,0,0,0,0|1,1,0]=4 421 B4R0.1 C(C(=O)[O-])S 45557 [2,0,0,0,0,0|1,0,0]=3 422 B4R0.1 C(C(=O)[O-])S L14356 [2,0,0,0,0,0|1,0,0]=3 423 B4R0.1 CC(=C)CCl B22674 [2,0,0,0,0,0|2,0,0]=4 424 B4R0.1 CC(=C)CO H60502 [2,0,0,0,0,0|1,1,0]=4 425 B4R0.1 CC(=C)OC B24083 [2,0,0,0,0,0|1,1,0]=4 426 B4R0.1 CC(=O)C#C L05527 [2,0,0,0,0,0|0,0,2]=4 427 B4R0.1 CC(=O)C#N H66636 [2,0,0,0,0,0|1,0,1]=4 428 B4R0.1 CC(=O)C=C A11910 [2,0,0,0,0,0|0,0,2]=4 429 B4R0.1 CC(=O)C=O B24664 [2,0,0,0,0,0|0,1,1]=4 430 B4R0.1 CC(=O)CCl A11922 [2,0,0,0,0,0|1,0,0]=3 431 B4R0.1 CC(=O)CO L15008 [2,0,0,0,0,0|0,1,0]=3 432 B4R0.1 CC(=O)NBr L02953 [2,0,0,0,0,0|2,0,0]=4 433 B4R0.1 CC(=O)NC A17928 [2,0,0,0,0,0|1,0,0]=3 434 B4R0.1 CC(=O)NN A10969 [2,0,0,0,0,0|2,0,0]=4 435 B4R0.1 CC(=O)NO L01569 [2,0,0,0,0,0|1,1,0]=4 436 B4R0.1 CC(=O)OC L14475 [2,0,0,0,0,0|0,1,0]=3 437 B4R0.1 CC(=O)SC A12400 [2,0,0,0,0,0|0,0,0]=2 438 B4R0.1 CC=C(C)C 31853 [2,0,0,0,0,0|1,0,1]=4 439 B4R0.1 CCC(=C)Br B20067 [2,0,0,0,0,0|1,0,1]=4 440 B4R0.1 CCC(=C)C H27230 [2,0,0,0,0,0|1,0,0]=3 441 B4R0.1 CCC(=O)C 22924 [2,0,0,0,0,0|0,0,0]=2 442 B4R0.1 CCC(=O)C 31069 [2,0,0,0,0,0|0,0,0]=2 443 B4R0.1 CCC(=O)C 39119 [2,0,0,0,0,0|0,0,0]=2 444 B4R0.1 CCC(=O)C L13185 [2,0,0,0,0,0|0,0,0]=2 445 B4R0.1 CCC(=O)Cl A10940 [2,0,0,0,0,0|1,0,0]=3 446 B4R0.1 CCC(=O)N A10521 [2,0,0,0,0,0|1,0,0]=3 447 B4R0.1 CCC(=O)O L04210 [2,0,0,0,0,0|0,1,0]=3 448 B4R0.1 CCC(=O)[O-] 18865 [2,0,0,0,0,0|0,1,0]=3 449 B4R0.1 CCC(=O)[O-] A14994 [2,0,0,0,0,0|0,1,0]=3 450 B4R0.1 CCC(=O)[O-] A17440 [2,0,0,0,0,0|0,1,0]=3 451 B4R0.1 CCC(=O)[O-] B23636 [2,0,0,0,0,0|0,1,0]=3 452 B4R0.1 CCC(C)Br A15069 [2,0,0,0,0,0|1,0,1]=4 453 B4R0.1 CCC(C)C 19387 [2,0,0,0,0,0|1,0,1]=4 454 B4R0.1 CCC(C)Cl B21586 [2,0,0,0,0,0|1,0,1]=4 455 B4R0.1 CCC(C)I B20619 [2,0,0,0,0,0|1,0,1]=4 456 B4R0.1 CCC(C)N A13014 [2,0,0,0,0,0|1,0,1]=4 457 B4R0.1 CCC(C)O 41871 [2,0,0,0,0,0|0,0,2]=4 458 B4R0.1 CCC(C)O 43315 [2,0,0,0,0,0|0,0,2]=4 459 B4R0.1 CCC(C)O A18658 [2,0,0,0,0,0|0,0,2]=4 460 B4R0.1 CCC(C)[O-] 30721 [2,0,0,0,0,0|0,0,2]=4 461 B4R0.1 CCC(C)[O-] 43712 [2,0,0,0,0,0|0,0,2]=4 462 B4R0.1 CCC(C)[O-] A13044 [2,0,0,0,0,0|0,0,2]=4 463 B4R0.1 CCC(C)[Zn+] H58714 [2,0,0,0,0,0|1,0,1]=4 464 B4R0.1 CCN(C)C B23992 [2,0,0,0,0,0|2,0,0]=4 465 B4R0.1 CC[C@@H](C)N L03889 [2,0,0,0,0,0|1,0,1]=4 466 B4R0.1 CC[C@@H](C)O L13983 [2,0,0,0,0,0|0,0,2]=4 467 B4R0.1 CC[C@H](C)N L10069 [2,0,0,0,0,0|1,0,1]=4 468 B4R0.1 CC[C@H](C)O L14164 [2,0,0,0,0,0|0,0,2]=4 469 B4R0.1 CC[N+](=O)[O-] A10855 [2,0,0,0,0,0|1,1,0]=4 470 B4R0.1 CNC(=O)N B24772 [2,0,0,0,0,0|2,0,0]=4 471 B4R0.1 COC(=O)N A16523 [2,0,0,0,0,0|1,1,0]=4 472 B4R0.1 CSC(=[NH2+])N A11044 [2,0,0,0,0,0|2,0,0]=4 473 B4R0.1 C\C=C(\C)/Br A18058 [2,0,0,0,0,0|1,0,1]=4 474 B4R0.1 [Li]C(C)CC 43028 [2,0,0,0,0,0|1,0,1]=4 475 B4R0.2 C(CS)CS A15261 [2,0,0,0,0,0|1,0,1]=4 476 B4R0.2 CCC#CC L02973 [2,0,0,0,0,0|0,0,2]=4 477 B4R0.2 CCCC#C L02479 [2,0,0,0,0,0|1,0,1]=4 478 B4R0.2 CCCC#N L02999 [2,0,0,0,0,0|2,0,0]=4 479 B4R0.2 CCCC=C A16723 [2,0,0,0,0,0|1,0,1]=4 480 B4R0.2 CCCC=O A18243 [2,0,0,0,0,0|1,0,0]=3 481 B4R0.2 CCCCBr A10696 [2,0,0,0,0,0|1,0,1]=4 482 B4R0.2 CCCCC 17381 [2,0,0,0,0,0|0,0,1]=3 483 B4R0.2 CCCCC 22907 [2,0,0,0,0,0|0,0,1]=3 484 B4R0.2 CCCCC 32449 [2,0,0,0,0,0|0,0,1]=3 485 B4R0.2 CCCCC 40981 [2,0,0,0,0,0|0,0,1]=3 486 B4R0.2 CCCCC 44255 [2,0,0,0,0,0|0,0,1]=3 487 B4R0.2 CCCCC 47115 [2,0,0,0,0,0|0,0,1]=3 488 B4R0.2 CCCCC H27427 [2,0,0,0,0,0|0,0,1]=3 489 B4R0.2 CCCCCl 39198 [2,0,0,0,0,0|1,0,1]=4 490 B4R0.2 CCCCCl A11494 [2,0,0,0,0,0|1,0,1]=4 491 B4R0.2 CCCCI A12340 [2,0,0,0,0,0|1,0,1]=4 492 B4R0.2 CCCCN L03575 [2,0,0,0,0,0|1,0,1]=4 493 B4R0.2 CCCCO 22925 [2,0,0,0,0,0|0,1,1]=4 494 B4R0.2 CCCCO 31068 [2,0,0,0,0,0|0,1,1]=4 495 B4R0.2 CCCCO 32443 [2,0,0,0,0,0|0,1,1]=4 496 B4R0.2 CCCCO 41867 [2,0,0,0,0,0|0,1,1]=4 497 B4R0.2 CCCCO L13171 [2,0,0,0,0,0|0,1,1]=4 498 B4R0.2 CCCCS 43421 [2,0,0,0,0,0|0,0,1]=3 499 B4R0.2 CCCC[Mg+] 41676 [2,0,0,0,0,0|1,0,1]=4 500 B4R0.2 CCCC[Mg+] 46117 [2,0,0,0,0,0|1,0,1]=4 501 B4R0.2 CCCC[O-] 33496 [2,0,0,0,0,0|0,1,1]=4 502 B4R0.2 CCCC[O-] 36570 [2,0,0,0,0,0|0,1,1]=4 503 B4R0.2 CCCC[O-] 40816 [2,0,0,0,0,0|0,1,1]=4 504 B4R0.2 CCCC[O-] 43295 [2,0,0,0,0,0|0,1,1]=4 505 B4R0.2 CCCC[O-] 44209 [2,0,0,0,0,0|0,1,1]=4 506 B4R0.2 CCCC[O-] 77124 [2,0,0,0,0,0|0,1,1]=4 507 B4R0.2 CCCC[O-] 87754 [2,0,0,0,0,0|0,1,1]=4 508 B4R0.2 CCCC[O-] B23317 [2,0,0,0,0,0|0,1,1]=4 509 B4R0.2 CCCC[Sn+3] 71125 [2,0,0,0,0,0|1,0,1]=4 510 B4R0.2 CCCC[Zn+] H58121 [2,0,0,0,0,0|1,0,1]=4 511 B4R0.2 CCCNC A16903 [2,0,0,0,0,0|1,0,0]=3 512 B4R0.2 CCCSC L09346 [2,0,0,0,0,0|0,0,0]=2 513 B4R0.2 CCNCC A10452 [2,0,0,0,0,0|1,0,0]=3 514 B4R0.2 CCNCC A11716 [2,0,0,0,0,0|1,0,0]=3 515 B4R0.2 CCNCC A13637 [2,0,0,0,0,0|1,0,0]=3 516 B4R0.2 CCOC=O A11113 [2,0,0,0,0,0|2,0,0]=4 517 B4R0.2 CCOCC 16767 [2,0,0,0,0,0|1,0,0]=3 518 B4R0.2 CCOCC 33224 [2,0,0,0,0,0|1,0,0]=3 519 B4R0.2 CCOCC 38990 [2,0,0,0,0,0|1,0,0]=3 520 B4R0.2 CCOCC 40976 [2,0,0,0,0,0|1,0,0]=3 521 B4R0.2 CCOCC 41796 [2,0,0,0,0,0|1,0,0]=3 522 B4R0.2 CCOCC A15275 [2,0,0,0,0,0|1,0,0]=3 523 B4R0.2 CCOCC H33678 [2,0,0,0,0,0|1,0,0]=3 524 B4R0.2 CCOCC L15481 [2,0,0,0,0,0|1,0,0]=3 525 B4R0.2 CCSCC 10482 [2,0,0,0,0,0|1,0,0]=3 526 B4R0.2 CCSCC 10484 [2,0,0,0,0,0|1,0,0]=3 527 B4R0.2 CCSCC L03493 [2,0,0,0,0,0|1,0,0]=3 528 B4R0.2 CC[Al+]CC 87625 [2,0,0,0,0,0|1,0,0]=3 529 B4R0.2 CC[Al+]CC 89035 [2,0,0,0,0,0|1,0,0]=3 530 B4R0.2 CC[N-]CC 40445 [2,0,0,0,0,0|1,0,0]=3 531 B4R0.2 CC[N-]CC 42759 [2,0,0,0,0,0|1,0,0]=3 532 B4R0.2 CC[N-]CC 42855 [2,0,0,0,0,0|1,0,0]=3 533 B4R0.2 CC[N-]CC 43419 [2,0,0,0,0,0|1,0,0]=3 534 B4R0.2 CC[SiH2]CC L16468 [2,0,0,0,0,0|0,1,0]=3 535 B4R0.2 CC[Sn+2]CC 71155 [2,0,0,0,0,0|1,0,0]=3 536 B4R0.2 CC[Zn]CC 39564 [2,0,0,0,0,0|1,0,0]=3 537 B4R0.2 CC[Zn]CC 44880 [2,0,0,0,0,0|1,0,0]=3 538 B4R0.2 CC[Zn]CC 89038 [2,0,0,0,0,0|1,0,0]=3 539 B4R0.2 CC\C=C\C A17736 [2,0,0,0,0,0|0,0,1]=3 540 B4R0.2 CC\C=C\C L09421 [2,0,0,0,0,0|0,0,1]=3 541 B4R0.2 CNCC=C H27551 [2,0,0,0,0,0|1,0,1]=4 542 B4R0.2 CNCCN A12165 [2,0,0,0,0,0|2,0,0]=4 543 B4R0.2 CNCCO B23180 [2,0,0,0,0,0|2,0,0]=4 544 B4R0.2 COCC=C 18652 [2,0,0,0,0,0|0,1,1]=4 545 B4R0.2 COCCBr A15370 [2,0,0,0,0,0|1,1,0]=4 546 B4R0.2 COCCCl B24081 [2,0,0,0,0,0|1,1,0]=4 547 B4R0.2 COCCN B22924 [2,0,0,0,0,0|1,1,0]=4 548 B4R0.2 COCCO 31733 [2,0,0,0,0,0|1,1,0]=4 549 B4R0.2 COCCO 32444 [2,0,0,0,0,0|1,1,0]=4 550 B4R0.2 COCCO A17459 [2,0,0,0,0,0|1,1,0]=4 551 B4R0.2 COCC[O-] 40471 [2,0,0,0,0,0|1,1,0]=4 552 B4R0.2 COCC[O-] 41237 [2,0,0,0,0,0|1,1,0]=4 553 B4R0.2 COCC[O-] 41256 [2,0,0,0,0,0|1,1,0]=4 554 B4R0.2 COCC[O-] 41793 [2,0,0,0,0,0|1,1,0]=4 555 B4R0.2 COCC[O-] 42377 [2,0,0,0,0,0|1,1,0]=4 556 B4R0.2 COCC[O-] 42378 [2,0,0,0,0,0|1,1,0]=4 557 B4R0.2 COCC[O-] 42522 [2,0,0,0,0,0|1,1,0]=4 558 B4R0.2 COCC[O-] 42819 [2,0,0,0,0,0|1,1,0]=4 559 B4R0.2 COCC[O-] 43903 [2,0,0,0,0,0|1,1,0]=4 560 B4R0.2 COCC[O-] A13292 [2,0,0,0,0,0|1,1,0]=4 561 B4R0.2 COCOC A12055 [2,0,0,0,0,0|1,1,0]=4 562 B4R0.2 CSCC#N L03066 [2,0,0,0,0,0|1,0,1]=4 563 B4R0.2 CSCC=C B22514 [2,0,0,0,0,0|0,0,1]=3 564 B4R0.2 CSCCN B22941 [2,0,0,0,0,0|1,0,0]=3 565 B4R0.2 CSCCO L05442 [2,0,0,0,0,0|1,0,0]=3 566 B4R0.2 CSCSC A19706 [2,0,0,0,0,0|1,0,0]=3 567 B4R0.2 CSSSC H32913 [2,0,0,0,0,0|2,0,0]=4 568 B4R0.2 C\C=C\C=O L03362 [2,0,0,0,0,0|1,0,1]=4 569 B4R0.2 C\C=C\CO A10681 [2,0,0,0,0,0|0,1,1]=4 570 B4R0.2 C\C=C\C[Mg+] H51171 [2,0,0,0,0,0|1,0,1]=4 571 B4R0.2 [Li]CCCC 41248 [2,0,0,0,0,0|1,0,1]=4 572 B4R0.2 [Li]CCCC 43314 [2,0,0,0,0,0|1,0,1]=4 573 B4R0.2 [Li]CCCC 44109 [2,0,0,0,0,0|1,0,1]=4 574 B4R0.2 [Li]CCCC 47107 [2,0,0,0,0,0|1,0,1]=4 575 B4R0.2 [Li]CCCC H66688 [2,0,0,0,0,0|1,0,1]=4 576 B4R0.2 [Li]CCCC L13559 [2,0,0,0,0,0|1,0,1]=4 577 B4R0.2 [Li]CCCC L14775 [2,0,0,0,0,0|1,0,1]=4 578 B6R0.2 CC(=C)OC(=O)C A15618 [1,1,0,0,0,0|2,0,0]=4 579 B6R0.2 CC(=CC(=O)C)C A15111 [1,1,0,0,0,0|1,0,1]=4 580 B6R0.2 CC(=O)CC(=O)C A14117 [1,1,0,0,0,0|1,0,0]=3 581 B6R0.2 CC(=O)OC(=O)C 36292 [1,1,0,0,0,0|2,0,0]=4 582 B6R0.2 CC(=O)OC(=O)C L04295 [1,1,0,0,0,0|2,0,0]=4 583 B6R0.2 CC(=O)[CH-]C(=O)C 30529 [1,1,0,0,0,0|1,0,1]=4 584 B6R0.2 CC(C)CC(=C)C B20002 [1,1,0,0,0,0|2,0,0]=4 585 B6R0.2 CC(C)CC(=O)C 33346 [1,1,0,0,0,0|1,0,0]=3 586 B6R0.2 CC(C)CC(=O)C 43170 [1,1,0,0,0,0|1,0,0]=3 587 B6R0.2 CC(C)CC(=O)C A11618 [1,1,0,0,0,0|1,0,0]=3 588 B6R0.2 CC(C)CC(=O)Cl B24002 [1,1,0,0,0,0|2,0,0]=4 589 B6R0.2 CC(C)CC(=O)N L09072 [1,1,0,0,0,0|2,0,0]=4 590 B6R0.2 CC(C)CC(=O)O A18642 [1,1,0,0,0,0|2,0,0]=4 591 B6R0.2 CC(C)OC(=O)C L09337 [1,1,0,0,0,0|2,0,0]=4 592 B6R0.2 CC(CC(=O)C)[O-] 12542 [1,1,0,0,0,0|1,0,0]=3 593 B6R0.2 CC(CC(=O)C)[O-] 44538 [1,1,0,0,0,0|1,0,0]=3 594 B6R0.2 CC(CC(=O)O)Br B25684 [1,1,0,0,0,0|2,0,0]=4 595 B6R0.2 CC(CC(=O)O)O 43354 [1,1,0,0,0,0|2,0,0]=4 596 B6R0.2 CC(CC(=O)O)O H30426 [1,1,0,0,0,0|2,0,0]=4 597 B6R0.2 CC(CC(=O)[O-])O A11613 [1,1,0,0,0,0|2,0,0]=4 598 B6R0.2 CC([O-])CC(=O)C 46727 [1,1,0,0,0,0|1,0,0]=3 599 B6R0.2 CN(C)CC(=O)Cl L18475 [1,1,0,0,0,0|2,0,0]=4 600 B6R0.2 CN(C)CC(=O)O A18892 [1,1,0,0,0,0|2,0,0]=4 601 B6R0.2 CN(C)CC(=O)O A19670 [1,1,0,0,0,0|2,0,0]=4 602 B6R0.2 C\C(=C/C(=O)C)\[O-] H55532 [1,1,0,0,0,0|1,0,1]=4 603 B6R0.2 C\C(=C\C(=O)C)\N L08379 [1,1,0,0,0,0|1,0,1]=4 604 B6R0.2 C\C(=C\C(=O)C)\[O-] 10514 [1,1,0,0,0,0|1,0,1]=4 605 B6R0.2 C\C(=C\C(=O)C)\[O-] 10517 [1,1,0,0,0,0|1,0,1]=4 606 B6R0.2 C\C(=C\C(=O)C)\[O-] 10526 [1,1,0,0,0,0|1,0,1]=4 607 B6R0.2 C\C(=C\C(=O)C)\[O-] 10568 [1,1,0,0,0,0|1,0,1]=4 608 B6R0.2 C\C(=C\C(=O)C)\[O-] 12527 [1,1,0,0,0,0|1,0,1]=4 609 B6R0.2 C\C(=C\C(=O)C)\[O-] 12530 [1,1,0,0,0,0|1,0,1]=4 610 B6R0.2 C\C(=C\C(=O)C)\[O-] 12532 [1,1,0,0,0,0|1,0,1]=4 611 B6R0.2 C\C(=C\C(=O)C)\[O-] 12534 [1,1,0,0,0,0|1,0,1]=4 612 B6R0.2 C\C(=C\C(=O)C)\[O-] 12535 [1,1,0,0,0,0|1,0,1]=4 613 B6R0.2 C\C(=C\C(=O)C)\[O-] 12536 [1,1,0,0,0,0|1,0,1]=4 614 B6R0.2 C\C(=C\C(=O)C)\[O-] 12537 [1,1,0,0,0,0|1,0,1]=4 615 B6R0.2 C\C(=C\C(=O)C)\[O-] 12538 [1,1,0,0,0,0|1,0,1]=4 616 B6R0.2 C\C(=C\C(=O)C)\[O-] 13794 [1,1,0,0,0,0|1,0,1]=4 617 B6R0.2 C\C(=C\C(=O)C)\[O-] 14065 [1,1,0,0,0,0|1,0,1]=4 618 B6R0.2 C\C(=C\C(=O)C)\[O-] 14614 [1,1,0,0,0,0|1,0,1]=4 619 B6R0.2 C\C(=C\C(=O)C)\[O-] 18811 [1,1,0,0,0,0|1,0,1]=4 620 B6R0.2 C\C(=C\C(=O)C)\[O-] 22940 [1,1,0,0,0,0|1,0,1]=4 621 B6R0.2 C\C(=C\C(=O)C)\[O-] 30526 [1,1,0,0,0,0|1,0,1]=4 622 B6R0.2 C\C(=C\C(=O)C)\[O-] 30532 [1,1,0,0,0,0|1,0,1]=4 623 B6R0.2 C\C(=C\C(=O)C)\[O-] 39288 [1,1,0,0,0,0|1,0,1]=4 624 B6R0.2 C\C(=C\C(=O)C)\[O-] 39295 [1,1,0,0,0,0|1,0,1]=4 625 B6R0.2 C\C(=C\C(=O)C)\[O-] 39411 [1,1,0,0,0,0|1,0,1]=4 626 B6R0.2 C\C(=C\C(=O)C)\[O-] 39630 [1,1,0,0,0,0|1,0,1]=4 627 B6R0.2 C\C(=C\C(=O)C)\[O-] 41968 [1,1,0,0,0,0|1,0,1]=4 628 B6R0.2 C\C(=C\C(=O)C)\[O-] 42463 [1,1,0,0,0,0|1,0,1]=4 629 B6R0.2 C\C(=C\C(=O)C)\[O-] 44140 [1,1,0,0,0,0|1,0,1]=4 630 B6R0.2 C\C(=C\C(=O)C)\[O-] 78113 [1,1,0,0,0,0|1,0,1]=4 631 B6R0.2 C\C(=C\C(=O)C)\[O-] 81119 [1,1,0,0,0,0|1,0,1]=4 632 B6R0.2 C\C(=C\C(=O)C)\[O-] 89360 [1,1,0,0,0,0|1,0,1]=4 633 B6R0.2 C\C(=C\C(=O)C)\[O-] 89858 [1,1,0,0,0,0|1,0,1]=4 634 B6R0.2 C\C(=C\C(=O)C)\[O-] A14920 [1,1,0,0,0,0|1,0,1]=4 635 B6R0.2 C\C(=C\C(=O)C)\[O-] A18762 [1,1,0,0,0,0|1,0,1]=4 636 B6R0.2 C\C(=C\C(=O)C)\[O-] B24009 [1,1,0,0,0,0|1,0,1]=4 637 B6R0.2 C\C(=C\C(=O)C)\[O-] B24165 [1,1,0,0,0,0|1,0,1]=4 638 B6R0.2 C\C(=C\C(=O)C)\[O-] H55131 [1,1,0,0,0,0|1,0,1]=4 639 B6R0.2 C\C(=C\C(=O)C)\[O-] H60380 [1,1,0,0,0,0|1,0,1]=4 640 B6R0.3 CC(=O)C(=O)OC A13966 [1,1,0,0,0,0|0,1,1]=4 641 B6R0.3 CC(=O)N(C)OC H65226 [1,1,0,0,0,0|1,1,0]=4 642 B6R0.3 CC(C(=O)O)NC H65287 [1,1,0,0,0,0|2,0,0]=4 643 B6R0.3 CC(CO)C(=O)C H28483 [1,1,0,0,0,0|2,0,0]=4 644 B6R0.3 CCC(=O)C(=O)C A13116 [1,1,0,0,0,0|1,0,1]=4 645 B6R0.3 CCC(C(=O)C)S B21797 [1,1,0,0,0,0|1,0,0]=3 646 B6R0.3 CCC(C(=O)Cl)Cl L11207 [1,1,0,0,0,0|2,0,0]=4 647 B6R0.3 CCC(C(=O)N)Cl B21783 [1,1,0,0,0,0|2,0,0]=4 648 B6R0.3 CCC(C(=O)O)Br B21743 [1,1,0,0,0,0|2,0,0]=4 649 B6R0.3 CCC(C(=O)O)Cl L20083 [1,1,0,0,0,0|2,0,0]=4 650 B6R0.3 CCC(C(=O)O)N L06035 [1,1,0,0,0,0|2,0,0]=4 651 B6R0.3 CCC(C(=O)[O-])O A18636 [1,1,0,0,0,0|2,0,0]=4 652 B6R0.3 CCC(C)C(=O)C A19999 [1,1,0,0,0,0|1,0,0]=3 653 B6R0.3 CCC(C)C(=O)Cl B22599 [1,1,0,0,0,0|2,0,0]=4 654 B6R0.3 CCC(C)C(=O)O A11546 [1,1,0,0,0,0|2,0,0]=4 655 B6R0.3 CC[C@@H](C(=O)N)N H55576 [1,1,0,0,0,0|2,0,0]=4 656 B6R0.3 CC[C@@H](C(=O)O)N L13984 [1,1,0,0,0,0|2,0,0]=4 657 B6R0.3 CC[C@H](C(=O)O)N L14096 [1,1,0,0,0,0|2,0,0]=4 658 B6R0.3 C[C@@H](C(=O)O)NC H60103 [1,1,0,0,0,0|2,0,0]=4 659 B6R0.3 C[C@H](C(=O)O)NC H65840 [1,1,0,0,0,0|2,0,0]=4 660 B6R0.3 C\C=C(/C)\C(=O)C L13548 [1,1,0,0,0,0|1,0,1]=4 661 B6R0.4 C(CC(=O)Cl)CBr A12094 [1,1,0,0,0,0|2,0,0]=4 662 B6R0.4 C(CC(=O)Cl)CCl A12249 [1,1,0,0,0,0|2,0,0]=4 663 B6R0.4 C(CC(=O)O)CBr A12870 [1,1,0,0,0,0|2,0,0]=4 664 B6R0.4 C(CC(=O)O)CN A11016 [1,1,0,0,0,0|2,0,0]=4 665 B6R0.4 CC(=O)CCC=C B22505 [1,1,0,0,0,0|1,0,1]=4 666 B6R0.4 CC(=O)CCCCl A10269 [1,1,0,0,0,0|1,0,0]=3 667 B6R0.4 CC(=O)CCSC B22206 [1,1,0,0,0,0|0,0,0]=2 668 B6R0.4 CC(=O)NCCCl A11802 [1,1,0,0,0,0|2,0,0]=4 669 B6R0.4 CC(=O)NCCN L13398 [1,1,0,0,0,0|2,0,0]=4 670 B6R0.4 CC(=O)NCCO A18638 [1,1,0,0,0,0|2,0,0]=4 671 B6R0.4 CC(=O)OCC#C L10031 [1,1,0,0,0,0|1,0,1]=4 672 B6R0.4 CC(=O)OCC=C 41353 [1,1,0,0,0,0|1,0,1]=4 673 B6R0.4 CC(=O)OCSC H32310 [1,1,0,0,0,0|0,0,0]=2 674 B6R0.4 CC(=O)\C=C\OC A11235 [1,1,0,0,0,0|0,1,1]=4 675 B6R0.4 CCC#CC(=O)C L05315 [1,1,0,0,0,0|1,0,1]=4 676 B6R0.4 CCCCC(=O)C A14867 [1,1,0,0,0,0|1,0,0]=3 677 B6R0.4 CCCCC(=O)Cl B22637 [1,1,0,0,0,0|2,0,0]=4 678 B6R0.4 CCCCC(=O)N L14601 [1,1,0,0,0,0|2,0,0]=4 679 B6R0.4 CCCCC(=O)O A16238 [1,1,0,0,0,0|2,0,0]=4 680 B6R0.4 CCCNC(=O)N A10160 [1,1,0,0,0,0|2,0,0]=4 681 B6R0.4 CCCOC(=O)C L15355 [1,1,0,0,0,0|1,0,0]=3 682 B6R0.4 CCCSC(=O)C B21875 [1,1,0,0,0,0|1,0,0]=3 683 B6R0.4 CCOCC(=O)Cl H34443 [1,1,0,0,0,0|1,1,0]=4 684 B6R0.4 CCOCC(=O)O B24194 [1,1,0,0,0,0|1,1,0]=4 685 B6R0.4 CCSCC(=O)C L04142 [1,1,0,0,0,0|0,0,0]=2 686 B6R0.4 CCSCC(=O)O L04743 [1,1,0,0,0,0|1,0,0]=3 687 B6R0.4 CSCCC(=O)O L12861 [1,1,0,0,0,0|1,0,0]=3 688 B6R0.6 CCCC#CCC H53504 [1,1,0,0,0,0|1,0,1]=4 689 B6R0.6 CCCCC#CC B21528 [1,1,0,0,0,0|1,0,1]=4 690 B6R0.6 CCCCCCBr A15166 [1,1,0,0,0,0|1,0,1]=4 691 B6R0.6 CCCCCCC 22911 [1,1,0,0,0,0|1,0,1]=4 692 B6R0.6 CCCCCCC 32441 [1,1,0,0,0,0|1,0,1]=4 693 B6R0.6 CCCCCCC 40978 [1,1,0,0,0,0|1,0,1]=4 694 B6R0.6 CCCCCCC 44457 [1,1,0,0,0,0|1,0,1]=4 695 B6R0.6 CCCCCCC 47191 [1,1,0,0,0,0|1,0,1]=4 696 B6R0.6 CCCCCCC A19894 [1,1,0,0,0,0|1,0,1]=4 697 B6R0.6 CCCCCCC H33987 [1,1,0,0,0,0|1,0,1]=4 698 B6R0.6 CCCCCCCl B22379 [1,1,0,0,0,0|1,0,1]=4 699 B6R0.6 CCCCCCI A13784 [1,1,0,0,0,0|1,0,1]=4 700 B6R0.6 CCCCCCN A15663 [1,1,0,0,0,0|1,0,1]=4 701 B6R0.6 CCCCCCO A18232 [1,1,0,0,0,0|1,0,1]=4 702 B6R0.6 CCCCCCS L09659 [1,1,0,0,0,0|1,0,1]=4 703 B6R0.6 CCCCCC[Mg+] H51167 [1,1,0,0,0,0|1,0,1]=4 704 B6R0.6 CCCCCC[Zn+] H58384 [1,1,0,0,0,0|1,0,1]=4 705 B6R0.6 CCCCCNC L04882 [1,1,0,0,0,0|1,0,1]=4 706 B6R0.6 CCCCNCC B22881 [1,1,0,0,0,0|1,0,1]=4 707 B6R0.6 CCCCOCC A17963 [1,1,0,0,0,0|0,1,1]=4 708 B6R0.6 CCCNCCC L15808 [1,1,0,0,0,0|1,0,1]=4 709 B6R0.6 CCCNCCN L03517 [1,1,0,0,0,0|2,0,0]=4 710 B6R0.6 CCCOCCC B21423 [1,1,0,0,0,0|1,0,1]=4 711 B6R0.6 CCCSCCC B23155 [1,1,0,0,0,0|1,0,1]=4 712 B6R0.6 CCCSCCO L12528 [1,1,0,0,0,0|2,0,0]=4 713 B6R0.6 CCC\C=C/CO A13734 [1,1,0,0,0,0|1,0,1]=4 714 B6R0.6 CCC\C=C\CC B25297 [1,1,0,0,0,0|1,0,0]=3 715 B6R0.6 CCC\C=C\CC H53482 [1,1,0,0,0,0|1,0,0]=3 716 B6R0.6 CCC\C=C\CO A13272 [1,1,0,0,0,0|1,0,1]=4 717 B6R0.6 CCOCCCN B23694 [1,1,0,0,0,0|2,0,0]=4 718 B6R0.6 CCOCCOC B20819 [1,1,0,0,0,0|0,1,1]=4 719 B6R0.6 CCOCOCC B23134 [1,1,0,0,0,0|1,1,0]=4 720 B6R0.6 CCSCCCO B22710 [1,1,0,0,0,0|1,0,1]=4 721 B6R0.6 CC\C=C/CCO A10313 [1,1,0,0,0,0|1,0,1]=4 722 B6R0.6 CC\C=C\CCO L10541 [1,1,0,0,0,0|1,0,1]=4 723 B6R0.6 CC\C=C\OCC H26720 [1,1,0,0,0,0|0,1,1]=4 724 B6R0.6 CNCCCNC A16901 [1,1,0,0,0,0|1,0,1]=4 725 B6R0.6 COCCCCO H50339 [1,1,0,0,0,0|0,1,1]=4 726 B6R0.6 CSCCCCO B22673 [1,1,0,0,0,0|0,0,1]=3 727 B6R0.6 CSCCCSC B22397 [1,1,0,0,0,0|0,0,1]=3 728 B6R0.6 CSCSCSC H26435 [1,1,0,0,0,0|1,0,0]=3 729 B6R0.6 C\C=C/CCCO A19266 [1,1,0,0,0,0|1,0,1]=4 730 B6R0.6 C\C=C\CCCO H54459 [1,1,0,0,0,0|1,0,1]=4 731 B6R0.6 [Li]CCCCCC 47271 [1,1,0,0,0,0|1,0,1]=4 732 B6R0.6 [Li]CCCCCC L15102 [1,1,0,0,0,0|1,0,1]=4 733 B6R0.8 CCC(C)(C)CC 43706 [1,1,0,0,0,0|1,0,1]=4 734 B6R0.8 CCP(=O)(CC)Cl H27681 [1,1,0,0,0,0|1,0,0]=3 735 B6R0.8 CC[Ge](CC)(Cl)Cl 34108 [1,1,0,0,0,0|1,1,0]=4 736 B6R0.8 CC[Si](CC)(Cl)Cl L03239 [1,1,0,0,0,0|1,1,0]=4 737 B6R0.9 B(CC)(CC)CC L15109 [1,1,0,0,0,0|2,0,0]=4 738 B6R0.9 B(CC)(CC)OC L15107 [1,1,0,0,0,0|1,0,1]=4 739 B6R0.9 CCC(CC)C=O B23465 [1,1,0,0,0,0|0,0,1]=3 740 B6R0.9 CCC(CC)CBr H26445 [1,1,0,0,0,0|1,0,1]=4 741 B6R0.9 CCC(CC)CN B20855 [1,1,0,0,0,0|1,0,1]=4 742 B6R0.9 CCC(CC)CO B21026 [1,1,0,0,0,0|0,0,2]=4 743 B6R0.9 CCC(CC)C[Zn+] H58054 [1,1,0,0,0,0|1,0,1]=4 744 B6R0.9 CCN(CC)C=O L04503 [1,1,0,0,0,0|1,0,0]=3 745 B6R0.9 CCN(CC)CC 12391 [1,1,0,0,0,0|2,0,0]=4 746 B6R0.9 CCN(CC)CC 42962 [1,1,0,0,0,0|2,0,0]=4 747 B6R0.9 CCN(CC)CC A12646 [1,1,0,0,0,0|2,0,0]=4 748 B6R0.9 CCN(CC)CC A17318 [1,1,0,0,0,0|2,0,0]=4 749 B6R0.9 CCN(CC)CC A17926 [1,1,0,0,0,0|2,0,0]=4 750 B6R0.9 CCN(CC)CC L14417 [1,1,0,0,0,0|2,0,0]=4 751 B6R0.9 CCP(CC)CC 30177 [1,1,0,0,0,0|2,0,0]=4 752 B6R0.9 CCP(CC)CC 39284 [1,1,0,0,0,0|2,0,0]=4 753 B6R0.9 CCP(CC)CC 39823 [1,1,0,0,0,0|2,0,0]=4 754 B6R0.9 CC[Al](CC)CC 43243 [1,1,0,0,0,0|2,0,0]=4 755 B6R0.9 CC[Al](CC)CC 89054 [1,1,0,0,0,0|2,0,0]=4 756 B6R0.9 CC[GeH](CC)CC 43176 [1,1,0,0,0,0|1,1,0]=4 757 B6R0.9 CC[NH+](CC)CC H36155 [1,1,0,0,0,0|2,0,0]=4 758 B6R0.9 CC[O+](CC)CC 42934 [1,1,0,0,0,0|2,0,0]=4 759 B6R0.9 CC[O+](CC)CC A11678 [1,1,0,0,0,0|2,0,0]=4 760 B6R0.9 CC[O+](CC)CC A14420 [1,1,0,0,0,0|2,0,0]=4 761 B6R0.9 CC[S+](CC)CC L00667 [1,1,0,0,0,0|2,0,0]=4 762 B6R0.9 CC[SiH](CC)CC A10320 [1,1,0,0,0,0|1,1,0]=4 763 B6R0.9 CC[Sn+](CC)CC 39601 [1,1,0,0,0,0|2,0,0]=4 764 B6R0.9 CC[Sn+](CC)CC 39622 [1,1,0,0,0,0|2,0,0]=4 765 B6R0.9 CC[Sn+](CC)CC 71135 [1,1,0,0,0,0|2,0,0]=4 766 B6R0.9 [BH-](CC)(CC)CC 42491 [1,1,0,0,0,0|2,0,0]=4 767 B6R0.9 [BH-](CC)(CC)CC 89144 [1,1,0,0,0,0|2,0,0]=4 768 B8R0.2 CC(C)C(C(=O)OC)N L06526 [0,2,0,0,0,0|2,0,0]=4 769 B8R0.2 CC(C)[C@@H](C(=O)OC)N A15892 [0,2,0,0,0,0|2,0,0]=4 770 B8R0.2 CC(C)[C@H](C(=O)OC)N H26883 [0,2,0,0,0,0|2,0,0]=4 771 B8R0.2 C[C@H]([C@@H](C(=O)OC)N)O H62118 [0,2,0,0,0,0|2,0,0]=4 772 B8R0.5 CC(C)OC(=O)CC#N A11887 [0,2,0,0,0,0|2,0,0]=4 773 B8R0.5 CCOC(=O)CC(=N)N H64288 [0,2,0,0,0,0|2,0,0]=4 774 B8R0.5 CCOC(=O)CC(=O)C A12544 [0,2,0,0,0,0|1,0,0]=3 775 B8R0.5 CCOC(=O)CC(=O)O 44692 [0,2,0,0,0,0|2,0,0]=4 776 B8R0.5 CCOC(=O)CC(=O)O A12627 [0,2,0,0,0,0|2,0,0]=4 777 B8R0.5 CCOC(=O)CC(=O)[O-] A10720 [0,2,0,0,0,0|2,0,0]=4 778 B8R0.5 CCOC(=O)CC(C)C A10292 [0,2,0,0,0,0|1,0,0]=3 779 B8R0.5 CCOC(=O)CC(C)O B21521 [0,2,0,0,0,0|1,0,0]=3 780 B8R0.5 CCOC(=O)C[N+](=O)[O-] A14433 [0,2,0,0,0,0|2,0,0]=4 781 B8R0.5 CCOC(=O)C[S+](C)C L00266 [0,2,0,0,0,0|0,0,1]=3 782 B8R0.5 CCOC(=O)\C=C(\C)/N A12991 [0,2,0,0,0,0|1,0,1]=4 783 B8R0.19 CCC(=O)CC(=O)CC A18165 [0,2,0,0,0,0|1,0,0]=3 784 B8R0.19 CCC(=O)CC(=O)OC B24848 [0,2,0,0,0,0|0,1,0]=3 785 B8R0.19 CCC(=O)OC(=O)CC A12955 [0,2,0,0,0,0|1,0,1]=4 786 B8R0.19 COC(=O)CC(=O)CCl H64709 [0,2,0,0,0,0|1,1,0]=4 787 B8R0.19 COC(=O)CC(=O)OC A11007 [0,2,0,0,0,0|1,1,0]=4 788 B8R0.23 C[C@@H](C(=O)OC(C)C)N H62490 [0,2,0,0,0,0|2,0,0]=4 789 B8R0.24 CC(C)(C)CC(=O)OC L07005 [0,2,0,0,0,0|2,0,0]=4 790 B8R0.24 COC(=O)CS(=O)(=O)C L08039 [0,2,0,0,0,0|1,0,1]=4 791 B8R0.1 CCC#CC(=O)OCC L02703 [0,2,0,0,0,0|1,0,1]=4 792 B8R0.1 CCCCC(=O)OCC A14854 [0,2,0,0,0,0|1,0,0]=3 793 B8R0.1 CCCCC(=O)\C=C\C B22250 [0,2,0,0,0,0|1,0,1]=4 794 B8R0.1 CCOC(=O)CCC=C A12422 [0,2,0,0,0,0|1,0,1]=4 795 B8R0.1 CCOC(=O)CCCBr A13470 [0,2,0,0,0,0|1,0,0]=3 796 B8R0.1 CCOC(=O)CCCCl A11070 [0,2,0,0,0,0|1,0,0]=3 797 B8R0.1 CCOC(=O)CCCN L06863 [0,2,0,0,0,0|1,0,0]=3 798 B8R0.1 CCOC(=O)CCC[Zn+] H58023 [0,2,0,0,0,0|1,0,0]=3 799 B8R0.1 CCOC(=O)CCSC A11742 [0,2,0,0,0,0|0,0,0]=2 800 B8R0.1 CCOC(=O)CN=C=O L10609 [0,2,0,0,0,0|1,0,1]=4 801 B8R0.1 CCOC(=O)CNC=O L10437 [0,2,0,0,0,0|1,0,1]=4 802 B8R0.1 CCOC(=O)\C=C\CBr A10371 [0,2,0,0,0,0|1,0,1]=4 803 B8R0.3 CCC(=O)C(=O)OCC H66476 [0,2,0,0,0,0|0,1,1]=4 804 B8R0.3 CCC(C(=O)OCC)Br A12729 [0,2,0,0,0,0|1,0,0]=3 805 B8R0.3 CCC(C)C(=O)OCC L06743 [0,2,0,0,0,0|1,0,0]=3 806 B8R0.3 CCC(C)C(=O)\C=C\C B22335 [0,2,0,0,0,0|1,0,1]=4 807 B8R0.3 CCCC(=O)C(CC)Br H32094 [0,2,0,0,0,0|1,0,0]=3 808 B8R0.3 CCCC(C)C(=O)OC A19812 [0,2,0,0,0,0|2,0,0]=4 809 B8R0.3 CCC[C@@H](C(=O)OC)N H65017 [0,2,0,0,0,0|2,0,0]=4 810 B8R0.3 CCOC(=O)C(CBr)Br A15591 [0,2,0,0,0,0|2,0,0]=4 811 B8R0.3 CCOC(=O)[C@H](CO)N A14174 [0,2,0,0,0,0|2,0,0]=4 812 B8R0.3 CCOC(=O)[C@H](CS)N L04692 [0,2,0,0,0,0|2,0,0]=4 813 B8R0.3 CCOC(=O)\C(=C\C)\C A12029 [0,2,0,0,0,0|1,0,1]=4 814 B8R0.3 CC\C=C(/C)\C(CC)O B20658 [0,2,0,0,0,0|2,0,0]=4 815 B8R0.6 CCCC#CC(=O)OC B23065 [0,2,0,0,0,0|2,0,0]=4 816 B8R0.6 CCCCCC(=O)CC A12113 [0,2,0,0,0,0|1,0,0]=3 817 B8R0.6 CCCCCC(=O)OC A10757 [0,2,0,0,0,0|2,0,0]=4 818 B8R0.6 CCCCOC(=O)CC B20125 [0,2,0,0,0,0|1,0,0]=3 819 B8R0.6 CCC\C=C\C(=O)OC L08030 [0,2,0,0,0,0|2,0,0]=4 820 B8R0.6 COC(=O)CCCC#C H53370 [0,2,0,0,0,0|2,0,0]=4 821 B8R0.6 COC(=O)CCCCBr A19072 [0,2,0,0,0,0|2,0,0]=4 822 B8R0.6 COC(=O)CCCCCl B25408 [0,2,0,0,0,0|2,0,0]=4 823 B8R0.6 COC(=O)CCCSC L11000 [0,2,0,0,0,0|1,0,0]=3 824 B8R0.8 CCCCC(=O)C(=O)C A19136 [0,2,0,0,0,0|1,0,1]=4 825 B8R0.8 CCCOC(=O)C(=C)C L09493 [0,2,0,0,0,0|1,0,1]=4 826 B8R0.9 CC(=O)CCC(=O)OC 43397 [0,2,0,0,0,0|2,0,0]=4 827 B8R0.9 CCC(=O)OCC(C)C H59612 [0,2,0,0,0,0|1,0,0]=3 828 B8R0.11 CCCCC(CC)C=O B23471 [0,2,0,0,0,0|1,0,1]=4 829 B8R0.14 CC(C)(C)C(=O)CC#N A16309 [0,2,0,0,0,0|2,0,0]=4 830 B8R0.14 CCCC(=O)C(C)(C)C B20612 [0,2,0,0,0,0|1,0,0]=3 831 B8R0.14 CCOC(=O)C(C)(C)Br B22785 [0,2,0,0,0,0|2,0,0]=4 832 B8R0.14 CCOC(=O)C(C)(C)C A13100 [0,2,0,0,0,0|2,0,0]=4 833 B8R0.14 CCOC(=O)C(C)(C)F H32931 [0,2,0,0,0,0|2,0,0]=4 834 B8R0.14 CCOC(=O)C(C)(C)O B23592 [0,2,0,0,0,0|2,0,0]=4 835 B8R0.14 CCOC(=O)C(C)(F)F H31852 [0,2,0,0,0,0|2,0,0]=4 836 B8R0.22 CCCN(CCC)C=O L08854 [0,2,0,0,0,0|2,0,0]=4 837 B8R0.22 COC(CSC)CSC B24904 [0,2,0,0,0,0|0,0,2]=4 838 B8R0.20 CCC(C(=O)OC)SC B22303 [0,2,0,0,0,0|1,0,0]=3 839 B8R0.20 COC(C(=O)OC)OC A12171 [0,2,0,0,0,0|1,1,0]=4 840 B6R1.2 C1CC(=O)C=C1 B23408 [1,0,0,1,0,0|1,0,1]=4 841 B6R1.2 C1CC(=O)NC1 A15332 [1,0,0,1,0,0|2,0,0]=4 842 B6R1.2 C1CC(=O)NC1 L00177 [1,0,0,1,0,0|2,0,0]=4 843 B6R1.2 C1CC(=O)OC1 A16314 [1,0,0,1,0,0|2,0,0]=4 844 B6R1.2 C1CCC(=O)C1 A14222 [1,0,0,1,0,0|1,0,0]=3 845 B6R1.2 C1CCS(=O)C1 A17502 [1,0,0,1,0,0|2,0,0]=4 846 B6R1.2 C1COCC1=O H66940 [1,0,0,1,0,0|0,1,0]=3 847 B6R1.2 C1CSCC1=O A11002 [1,0,0,1,0,0|0,0,0]=2 848 B6R1.2 CC1=CCCC1 A18816 [1,0,0,1,0,0|2,0,0]=4 849 B6R1.2 CC1=NCCC1 44853 [1,0,0,1,0,0|2,0,0]=4 850 B6R1.11 C1CC1C(=O)Cl A11948 [1,0,0,1,0,0|2,0,0]=4 851 B6R1.11 C1CC1C(=O)N B21871 [1,0,0,1,0,0|2,0,0]=4 852 B6R1.11 C1CC1C(=O)O A14215 [1,0,0,1,0,0|2,0,0]=4 853 B6R1.11 CC(=O)C1CC1 A13540 [1,0,0,1,0,0|1,0,0]=3 854 B6R1.1 C1CC=COC1 L02731 [1,0,0,1,0,0|0,1,1]=4 855 B6R1.1 C1CCC=CC1 A11359 [1,0,0,1,0,0|1,0,1]=4 856 B6R1.1 C1CCCCC1 22864 [1,0,0,1,0,0|1,0,1]=4 857 B6R1.1 C1CCCCC1 22919 [1,0,0,1,0,0|1,0,1]=4 858 B6R1.1 C1CCCCC1 40975 [1,0,0,1,0,0|1,0,1]=4 859 B6R1.1 C1CCCCC1 A16070 [1,0,0,1,0,0|1,0,1]=4 860 B6R1.1 C1CCCCC1 H26081 [1,0,0,1,0,0|1,0,1]=4 861 B6R1.1 C1CCNCC1 A12442 [1,0,0,1,0,0|1,0,1]=4 862 B6R1.1 C1CCNCC1 A13243 [1,0,0,1,0,0|1,0,1]=4 863 B6R1.1 C1CCOCC1 A13392 [1,0,0,1,0,0|0,1,1]=4 864 B6R1.1 C1CCSCC1 L03063 [1,0,0,1,0,0|0,0,1]=3 865 B6R1.1 C1COCOC1 H54107 [1,0,0,1,0,0|1,1,0]=4 866 B6R1.1 C1CSCCN1 A15958 [1,0,0,1,0,0|1,0,1]=4 867 B6R1.1 C1CSCCN1 L19470 [1,0,0,1,0,0|1,0,1]=4 868 B6R1.1 C1CSCCO1 A18052 [1,0,0,1,0,0|1,0,1]=4 869 B6R1.1 C1CSCSC1 A10505 [1,0,0,1,0,0|1,0,0]=3 870 B8R1.1 C1CC(=O)N[C@@H]1CO L18359 [0,1,0,1,0,0|2,0,0]=4 871 B8R1.1 C1CC(=O)N[C@H]1CO L18358 [0,1,0,1,0,0|2,0,0]=4 872 B8R1.1 CCC1CCC(=O)C1 B20432 [0,1,0,1,0,0|1,0,0]=3 873 B8R1.1 CCC1CCC(=O)O1 A19642 [0,1,0,1,0,0|1,0,0]=3 874 B8R1.4 C1CC(=CC(=O)C1)N A11474 [0,1,0,1,0,0|1,0,1]=4 875 B8R1.4 C1CC(=O)CC(=O)C1 A11109 [0,1,0,1,0,0|1,0,0]=3 876 B8R1.4 C1CC(=O)NC(=O)C1 L00968 [0,1,0,1,0,0|2,0,0]=4 877 B8R1.4 C1CC(=O)OC(=O)C1 A11152 [0,1,0,1,0,0|2,0,0]=4 878 B8R1.4 CC1=CC(=O)CCC1 A15704 [0,1,0,1,0,0|1,0,1]=4 879 B8R1.4 CC1CCCC(=O)O1 A19274 [0,1,0,1,0,0|1,0,0]=3 880 B8R1.4 CN1CCNC(=O)C1 H57633 [0,1,0,1,0,0|1,0,0]=3 881 B8R1.18 CC1C(=O)C=C(O1)C A12182 [0,1,0,1,0,0|1,0,1]=4 882 B8R1.40 C1CC1NC(=O)CCl H32456 [0,1,0,1,0,0|2,0,0]=4 883 B8R1.51 CC1(CC(=O)NC1)C H33209 [0,1,0,1,0,0|2,0,0]=4 884 B8R1.2 C1CCC(=NO)CC1 A19820 [0,1,0,1,0,0|1,0,1]=4 885 B8R1.2 C1CCC(CC1)C=O B23837 [0,1,0,1,0,0|1,0,1]=4 886 B8R1.2 C1CCN(CC1)C=O B23452 [0,1,0,1,0,0|2,0,0]=4 887 B8R1.3 C1CC(=O)CCC1=O A11100 [0,1,0,1,0,0|1,0,1]=4 888 B8R1.3 CC1=NNC(=O)CC1 B24520 [0,1,0,1,0,0|2,0,0]=4 889 B8R1.3 CC1CCC(=O)CC1 A13186 [0,1,0,1,0,0|1,0,0]=3 890 B8R1.3 CN1CCC(=O)CC1 A13352 [0,1,0,1,0,0|1,0,0]=3 891 B8R1.5 C1CCC(=O)C(=O)C1 A14401 [0,1,0,1,0,0|1,0,1]=4 892 B8R1.5 C1CCC(=O)C(C1)Cl A18613 [0,1,0,1,0,0|1,0,0]=3 893 B8R1.5 C1CCC(=O)C(C1)F H26032 [0,1,0,1,0,0|1,0,0]=3 894 B8R1.5 C1COCC(C1=O)Br H66595 [0,1,0,1,0,0|1,1,0]=4 895 B8R1.5 CC1CCCCC1=O A14741 [0,1,0,1,0,0|1,0,0]=3 896 B8R1.22 C1CC(=O)CCNC1 H66355 [0,1,0,1,0,0|1,0,0]=3 897 B8R1.22 C1CCC(=O)NCC1 L06999 [0,1,0,1,0,0|1,0,0]=3 898 B8R1.22 C1CCC(=O)OCC1 A10299 [0,1,0,1,0,0|1,0,0]=3 899 B8R1.22 C1CCC(=O)[N-]CC1 44686 [0,1,0,1,0,0|1,0,0]=3 900 B8R1.22 C1CCCC(=O)CC1 A13421 [0,1,0,1,0,0|1,0,0]=3 901 B8R1.22 C1CNCCNC1=O H26990 [0,1,0,1,0,0|2,0,0]=4 902 B8R1.22 C1COCCNC1=O B22406 [0,1,0,1,0,0|1,1,0]=4 903 B8R1.38 COC(=O)C1CNC1 H57489 [0,1,0,1,0,0|2,0,0]=4 904 B8R1.50 CC1C(=O)CCC1=O A13936 [0,1,0,1,0,0|1,0,1]=4 905 B8R1.50 CC1CCC(=O)C1=O A10255 [0,1,0,1,0,0|1,0,1]=4 906 B8R1.37 CCOC(=O)C1CC1 B24870 [0,1,0,1,0,0|1,0,0]=3 907 B8R1.11 CCN1CCCC1=O B24548 [0,1,0,1,0,0|1,0,0]=3