0 B5R0.3 C(C(=O)CBr)Br H37325 [0,0,0,0,0,0|2,1,1]=4 1 B5R0.3 C(C(=O)CCl)Cl 22302 [0,0,0,0,0,0|2,1,1]=4 2 B5R0.3 C(C(=O)CCl)Cl A14149 [0,0,0,0,0,0|2,1,1]=4 3 B5R0.3 C(C(=O)CF)F H51145 [0,0,0,0,0,0|2,1,1]=4 4 B5R0.3 C(C(C#N)Cl)Cl A17438 [0,0,0,0,0,0|3,0,1]=4 5 B5R0.3 C(C(CBr)Br)Br L03752 [0,0,0,0,0,0|3,0,0]=3 6 B5R0.3 C(C(CCl)Cl)Cl L04312 [0,0,0,0,0,0|3,0,0]=3 7 B5R0.3 C(C(CCl)Cl)O A18444 [0,0,0,0,0,0|2,0,0]=2 8 B5R0.3 C(C(CCl)O)Cl A16003 [0,0,0,0,0,0|2,1,0]=3 9 B5R0.3 C(C(CCl)O)F L17286 [0,0,0,0,0,0|2,1,0]=3 10 B5R0.3 C(C(CCl)O)O A16143 [0,0,0,0,0,0|1,1,0]=2 11 B5R0.3 C(C(CF)O)F L01646 [0,0,0,0,0,0|2,1,0]=3 12 B5R0.3 C(C(CN)O)N A19618 [0,0,0,0,0,0|2,1,0]=3 13 B5R0.3 C(C(CO)N)O B25419 [0,0,0,0,0,0|1,1,0]=2 14 B5R0.3 C(C(CO)N)O L08426 [0,0,0,0,0,0|1,1,0]=2 15 B5R0.3 C(C(CO)O)N B22672 [0,0,0,0,0,0|1,1,0]=2 16 B5R0.3 C(C(CO)O)O 32450 [0,0,0,0,0,0|0,2,0]=2 17 B5R0.3 C(C(CO)O)O 36646 [0,0,0,0,0,0|0,2,0]=2 18 B5R0.3 C(C(CO)O)O 38988 [0,0,0,0,0,0|0,2,0]=2 19 B5R0.3 C(C(CO)O)O A16205 [0,0,0,0,0,0|0,2,0]=2 20 B5R0.3 C(C(CO)O)O J61059 [0,0,0,0,0,0|0,2,0]=2 21 B5R0.3 C(C(CO)O)O J62399 [0,0,0,0,0,0|0,2,0]=2 22 B5R0.3 C(C(CO)O)O J64719 [0,0,0,0,0,0|0,2,0]=2 23 B5R0.3 C(C(CS)O)O A18948 [0,0,0,0,0,0|0,1,0]=1 24 B5R0.3 C(C(CS)S)O L03953 [0,0,0,0,0,0|0,0,0]=0 25 B5R0.3 C([C@@H](CCl)O)O L18556 [0,0,0,0,0,0|1,1,0]=2 26 B5R0.3 C([C@@H](CO)O)N H26743 [0,0,0,0,0,0|1,1,0]=2 27 B5R0.3 C([C@H](CCl)O)O L18555 [0,0,0,0,0,0|1,1,0]=2 28 B5R0.3 CCC(=C)CC L11553 [0,0,0,0,0,0|3,0,1]=4 29 B5R0.3 CCC(=O)CBr L12081 [0,0,0,0,0,0|2,1,1]=4 30 B5R0.3 CCC(=O)CC A15297 [0,0,0,0,0,0|2,1,1]=4 31 B5R0.3 CCC(C#C)O B24853 [0,0,0,0,0,0|2,1,1]=4 32 B5R0.3 CCC(C)C=C L11525 [0,0,0,0,0,0|3,0,1]=4 33 B5R0.3 CCC(C)C=O A19650 [0,0,0,0,0,0|2,0,2]=4 34 B5R0.3 CCC(C)CBr H27078 [0,0,0,0,0,0|3,0,0]=3 35 B5R0.3 CCC(C)CC L03133 [0,0,0,0,0,0|3,0,0]=3 36 B5R0.3 CCC(C)CO B21825 [0,0,0,0,0,0|2,0,0]=2 37 B5R0.3 CCC(C)CS B21949 [0,0,0,0,0,0|2,0,0]=2 38 B5R0.3 CCC(C)NC H27547 [0,0,0,0,0,0|4,0,0]=4 39 B5R0.3 CCC(C)OC H53427 [0,0,0,0,0,0|4,0,0]=4 40 B5R0.3 CCC(C)SC B21942 [0,0,0,0,0,0|4,0,0]=4 41 B5R0.3 CCC(C=C)O B20155 [0,0,0,0,0,0|2,1,1]=4 42 B5R0.3 CCC(CBr)Br B20356 [0,0,0,0,0,0|3,0,0]=3 43 B5R0.3 CCC(CC)Br L13576 [0,0,0,0,0,0|3,0,0]=3 44 B5R0.3 CCC(CC)N L02250 [0,0,0,0,0,0|3,0,0]=3 45 B5R0.3 CCC(CC)O L06065 [0,0,0,0,0,0|2,1,0]=3 46 B5R0.3 CCC(CC)[Zn+] H58214 [0,0,0,0,0,0|3,0,0]=3 47 B5R0.3 CCC(CCl)Cl B21307 [0,0,0,0,0,0|3,0,0]=3 48 B5R0.3 CCC(CO)N B24398 [0,0,0,0,0,0|2,0,0]=2 49 B5R0.3 CCN(CC)O B23302 [0,0,0,0,0,0|3,1,0]=4 50 B5R0.3 CCP(=O)CC H27768 [0,0,0,0,0,0|3,1,0]=4 51 B5R0.3 CCP(CC)Cl 30204 [0,0,0,0,0,0|4,0,0]=4 52 B5R0.3 CC[C@@H](CO)N L11449 [0,0,0,0,0,0|2,0,0]=2 53 B5R0.3 CC[C@H](C)CN L14063 [0,0,0,0,0,0|3,0,0]=3 54 B5R0.3 CC[C@H](CO)N B25212 [0,0,0,0,0,0|2,0,0]=2 55 B5R0.3 CC\C(=N\O)\C L08196 [0,0,0,0,0,0|3,0,1]=4 56 B5R0.3 CC\C(=N\O)\N H50889 [0,0,0,0,0,0|3,0,1]=4 57 B5R0.3 COC(=O)CO A17870 [0,0,0,0,0,0|2,1,1]=4 58 B5R0.3 COC(=O)CS L03783 [0,0,0,0,0,0|2,1,1]=4 59 B4R0.1 B(CC)(O)O L19959 [1,0,0,0,0,0|2,1,0]=4 60 B4R0.1 C(C(=O)O)Br A14403 [1,0,0,0,0,0|1,1,1]=4 61 B4R0.1 C(C(=O)O)Cl 41724 [1,0,0,0,0,0|1,1,1]=4 62 B4R0.1 C(C(=O)O)Cl A11482 [1,0,0,0,0,0|1,1,1]=4 63 B4R0.1 C(C(=O)O)I A12410 [1,0,0,0,0,0|1,1,1]=4 64 B4R0.1 C(C(=O)O)N 36435 [1,0,0,0,0,0|1,1,1]=4 65 B4R0.1 C(C(=O)O)N 43497 [1,0,0,0,0,0|1,1,1]=4 66 B4R0.1 C(C(=O)O)N A12162 [1,0,0,0,0,0|1,1,1]=4 67 B4R0.1 C(C(=O)O)N A13816 [1,0,0,0,0,0|1,1,1]=4 68 B4R0.1 C(C(=O)O)N J60154 [1,0,0,0,0,0|1,1,1]=4 69 B4R0.1 C(C(=O)O)N J61855 [1,0,0,0,0,0|1,1,1]=4 70 B4R0.1 C(C(=O)O)N J62407 [1,0,0,0,0,0|1,1,1]=4 71 B4R0.1 C(C(=O)O)N J62527 [1,0,0,0,0,0|1,1,1]=4 72 B4R0.1 C(C(=O)O)N J64365 [1,0,0,0,0,0|1,1,1]=4 73 B4R0.1 C(C(=O)O)N J67094 [1,0,0,0,0,0|1,1,1]=4 74 B4R0.1 C(C(=O)O)N J67147 [1,0,0,0,0,0|1,1,1]=4 75 B4R0.1 C(C(=O)O)N J67349 [1,0,0,0,0,0|1,1,1]=4 76 B4R0.1 C(C(=O)O)O A12511 [1,0,0,0,0,0|0,2,1]=4 77 B4R0.1 C(C(=O)O)O L14980 [1,0,0,0,0,0|0,2,1]=4 78 B4R0.1 C(C(=O)O)S B20391 [1,0,0,0,0,0|0,1,1]=3 79 B4R0.1 C(C(=O)[O-])O 39456 [1,0,0,0,0,0|0,2,1]=4 80 B4R0.1 C(C(=O)[O-])O A12341 [1,0,0,0,0,0|0,2,1]=4 81 B4R0.1 C(C(=O)[O-])S 45557 [1,0,0,0,0,0|0,1,2]=4 82 B4R0.1 C(C(=O)[O-])S L14356 [1,0,0,0,0,0|0,1,2]=4 83 B4R0.1 C(C(F)F)O B22201 [1,0,0,0,0,0|2,0,0]=3 84 B4R0.1 C(O)S(=O)[O-] A15731 [1,0,0,0,0,0|1,2,0]=4 85 B4R0.1 CC(=C)CCl B22674 [1,0,0,0,0,0|2,0,1]=4 86 B4R0.1 CC(=C)CO H60502 [1,0,0,0,0,0|1,0,1]=3 87 B4R0.1 CC(=NO)C A10802 [1,0,0,0,0,0|2,0,1]=4 88 B4R0.1 CC(=O)CCl A11922 [1,0,0,0,0,0|1,1,1]=4 89 B4R0.1 CC(=O)CO L15008 [1,0,0,0,0,0|0,1,1]=3 90 B4R0.1 CC(=O)NO L01569 [1,0,0,0,0,0|1,1,1]=4 91 B4R0.1 CC(C#C)O A11881 [1,0,0,0,0,0|1,1,1]=4 92 B4R0.1 CC(C)C#C H53439 [1,0,0,0,0,0|2,0,1]=4 93 B4R0.1 CC(C)C#N L14470 [1,0,0,0,0,0|2,0,1]=4 94 B4R0.1 CC(C)C=O A12106 [1,0,0,0,0,0|1,0,2]=4 95 B4R0.1 CC(C)CBr B23854 [1,0,0,0,0,0|2,0,0]=3 96 B4R0.1 CC(C)CCl L04181 [1,0,0,0,0,0|2,0,0]=3 97 B4R0.1 CC(C)CI A15883 [1,0,0,0,0,0|2,0,0]=3 98 B4R0.1 CC(C)CN A11017 [1,0,0,0,0,0|2,0,0]=3 99 B4R0.1 CC(C)CO 22908 [1,0,0,0,0,0|1,0,0]=2 100 B4R0.1 CC(C)CO 32433 [1,0,0,0,0,0|1,0,0]=2 101 B4R0.1 CC(C)CO 36643 [1,0,0,0,0,0|1,0,0]=2 102 B4R0.1 CC(C)CO B23091 [1,0,0,0,0,0|1,0,0]=2 103 B4R0.1 CC(C)C[O-] 89455 [1,0,0,0,0,0|1,0,1]=3 104 B4R0.1 CC(C)C[Zn+] H58145 [1,0,0,0,0,0|2,0,0]=3 105 B4R0.1 CC(C)NC H65892 [1,0,0,0,0,0|3,0,0]=4 106 B4R0.1 CC(C=C)O L14787 [1,0,0,0,0,0|1,1,1]=4 107 B4R0.1 CC(CBr)Br B22994 [1,0,0,0,0,0|2,0,0]=3 108 B4R0.1 CC(CCl)Cl L03083 [1,0,0,0,0,0|2,0,0]=3 109 B4R0.1 CC(CCl)O B22686 [1,0,0,0,0,0|1,1,0]=3 110 B4R0.1 CC(CN)N B24489 [1,0,0,0,0,0|2,0,0]=3 111 B4R0.1 CC(CN)O L15343 [1,0,0,0,0,0|1,1,0]=3 112 B4R0.1 CC(CO)N L03608 [1,0,0,0,0,0|1,0,0]=2 113 B4R0.1 CC(CO)O 30948 [1,0,0,0,0,0|0,1,0]=2 114 B4R0.1 CC(CO)O A18406 [1,0,0,0,0,0|0,1,0]=2 115 B4R0.1 CCC(=C)C H27230 [1,0,0,0,0,0|2,0,1]=4 116 B4R0.1 CCC(=O)C 22924 [1,0,0,0,0,0|1,1,1]=4 117 B4R0.1 CCC(=O)C 31069 [1,0,0,0,0,0|1,1,1]=4 118 B4R0.1 CCC(=O)C 39119 [1,0,0,0,0,0|1,1,1]=4 119 B4R0.1 CCC(=O)C L13185 [1,0,0,0,0,0|1,1,1]=4 120 B4R0.1 CCC(=O)O L04210 [1,0,0,0,0,0|1,1,1]=4 121 B4R0.1 CCC(C)Br A15069 [1,0,0,0,0,0|2,0,0]=3 122 B4R0.1 CCC(C)C 19387 [1,0,0,0,0,0|2,0,0]=3 123 B4R0.1 CCC(C)Cl B21586 [1,0,0,0,0,0|2,0,0]=3 124 B4R0.1 CCC(C)I B20619 [1,0,0,0,0,0|2,0,0]=3 125 B4R0.1 CCC(C)N A13014 [1,0,0,0,0,0|2,0,0]=3 126 B4R0.1 CCC(C)O 41871 [1,0,0,0,0,0|1,1,0]=3 127 B4R0.1 CCC(C)O 43315 [1,0,0,0,0,0|1,1,0]=3 128 B4R0.1 CCC(C)O A18658 [1,0,0,0,0,0|1,1,0]=3 129 B4R0.1 CCC(C)[O-] 30721 [1,0,0,0,0,0|1,1,0]=3 130 B4R0.1 CCC(C)[O-] 43712 [1,0,0,0,0,0|1,1,0]=3 131 B4R0.1 CCC(C)[O-] A13044 [1,0,0,0,0,0|1,1,0]=3 132 B4R0.1 CCC(C)[Zn+] H58714 [1,0,0,0,0,0|2,0,0]=3 133 B4R0.1 CCN(C)C B23992 [1,0,0,0,0,0|3,0,0]=4 134 B4R0.1 CC[C@@H](C)N L03889 [1,0,0,0,0,0|2,0,0]=3 135 B4R0.1 CC[C@@H](C)O L13983 [1,0,0,0,0,0|1,1,0]=3 136 B4R0.1 CC[C@H](C)N L10069 [1,0,0,0,0,0|2,0,0]=3 137 B4R0.1 CC[C@H](C)O L14164 [1,0,0,0,0,0|1,1,0]=3 138 B4R0.1 C[Al](C)C[Ti+] 44506 [1,0,0,0,0,0|3,0,0]=4 139 B4R0.1 C[C@@H](C#C)O L20345 [1,0,0,0,0,0|1,1,1]=4 140 B4R0.1 C[C@@H](CN)N H60753 [1,0,0,0,0,0|2,0,0]=3 141 B4R0.1 C[C@@H](CN)O L14102 [1,0,0,0,0,0|1,1,0]=3 142 B4R0.1 C[C@@H](CO)N B24916 [1,0,0,0,0,0|1,0,0]=2 143 B4R0.1 C[C@@H](CO)O B21773 [1,0,0,0,0,0|0,1,0]=2 144 B4R0.1 C[C@H](C#C)O L18880 [1,0,0,0,0,0|1,1,1]=4 145 B4R0.1 C[C@H](CN)O L14101 [1,0,0,0,0,0|1,1,0]=3 146 B4R0.1 C[C@H](CO)N L11030 [1,0,0,0,0,0|1,0,0]=2 147 B4R0.1 C[C@H](CO)O B21937 [1,0,0,0,0,0|0,1,0]=2 148 B4R0.1 [Li]C(C)CC 43028 [1,0,0,0,0,0|2,0,0]=3 149 B4R0.2 C#CCCBr H53367 [1,0,0,0,0,0|2,0,1]=4 150 B4R0.2 C#CCCO A11477 [1,0,0,0,0,0|1,0,1]=3 151 B4R0.2 C(CBr)C#N B23998 [1,0,0,0,0,0|2,0,1]=4 152 B4R0.2 C(CBr)CBr A14687 [1,0,0,0,0,0|2,0,0]=3 153 B4R0.2 C(CCl)C#N L05902 [1,0,0,0,0,0|2,0,1]=4 154 B4R0.2 C(CCl)CBr A11395 [1,0,0,0,0,0|2,0,0]=3 155 B4R0.2 C(CCl)CCl 36685 [1,0,0,0,0,0|2,0,0]=3 156 B4R0.2 C(CCl)CI A13489 [1,0,0,0,0,0|2,0,0]=3 157 B4R0.2 C(CF)CF L12351 [1,0,0,0,0,0|2,0,0]=3 158 B4R0.2 C(CI)CI A10616 [1,0,0,0,0,0|2,0,0]=3 159 B4R0.2 C(CN)C#N A13043 [1,0,0,0,0,0|2,0,1]=4 160 B4R0.2 C(CN)CBr B23254 [1,0,0,0,0,0|2,0,0]=3 161 B4R0.2 C(CN)CCl A15415 [1,0,0,0,0,0|2,0,0]=3 162 B4R0.2 C(CN)CN A11932 [1,0,0,0,0,0|2,0,0]=3 163 B4R0.2 C(CN)CO B23041 [1,0,0,0,0,0|1,0,0]=2 164 B4R0.2 C(CO)C#N L12570 [1,0,0,0,0,0|1,0,1]=3 165 B4R0.2 C(CO)CBr B22857 [1,0,0,0,0,0|1,0,0]=2 166 B4R0.2 C(CO)CCl A16871 [1,0,0,0,0,0|1,0,0]=2 167 B4R0.2 C(CO)CO A10829 [1,0,0,0,0,0|0,1,0]=2 168 B4R0.2 C(CO)NN 43793 [1,0,0,0,0,0|2,0,0]=3 169 B4R0.2 C(CS)CS A15261 [1,0,0,0,0,0|0,1,0]=2 170 B4R0.2 C(C[Zn+])C#N H58695 [1,0,0,0,0,0|2,0,1]=4 171 B4R0.2 C=CCCBr A10977 [1,0,0,0,0,0|2,0,1]=4 172 B4R0.2 C=CCCN L20157 [1,0,0,0,0,0|2,0,1]=4 173 B4R0.2 C=CCCO L00767 [1,0,0,0,0,0|1,0,1]=3 174 B4R0.2 C=CCC[Zn+] H58171 [1,0,0,0,0,0|2,0,1]=4 175 B4R0.2 CC#CCO A15709 [1,0,0,0,0,0|1,0,2]=4 176 B4R0.2 CCCC#C L02479 [1,0,0,0,0,0|2,0,1]=4 177 B4R0.2 CCCC#N L02999 [1,0,0,0,0,0|2,0,1]=4 178 B4R0.2 CCCC=C A16723 [1,0,0,0,0,0|2,0,1]=4 179 B4R0.2 CCCC=O A18243 [1,0,0,0,0,0|1,0,2]=4 180 B4R0.2 CCCCBr A10696 [1,0,0,0,0,0|2,0,0]=3 181 B4R0.2 CCCCC 17381 [1,0,0,0,0,0|2,0,0]=3 182 B4R0.2 CCCCC 22907 [1,0,0,0,0,0|2,0,0]=3 183 B4R0.2 CCCCC 32449 [1,0,0,0,0,0|2,0,0]=3 184 B4R0.2 CCCCC 40981 [1,0,0,0,0,0|2,0,0]=3 185 B4R0.2 CCCCC 44255 [1,0,0,0,0,0|2,0,0]=3 186 B4R0.2 CCCCC 47115 [1,0,0,0,0,0|2,0,0]=3 187 B4R0.2 CCCCC H27427 [1,0,0,0,0,0|2,0,0]=3 188 B4R0.2 CCCCCl 39198 [1,0,0,0,0,0|2,0,0]=3 189 B4R0.2 CCCCCl A11494 [1,0,0,0,0,0|2,0,0]=3 190 B4R0.2 CCCCI A12340 [1,0,0,0,0,0|2,0,0]=3 191 B4R0.2 CCCCN L03575 [1,0,0,0,0,0|2,0,0]=3 192 B4R0.2 CCCCO 22925 [1,0,0,0,0,0|1,0,0]=2 193 B4R0.2 CCCCO 31068 [1,0,0,0,0,0|1,0,0]=2 194 B4R0.2 CCCCO 32443 [1,0,0,0,0,0|1,0,0]=2 195 B4R0.2 CCCCO 41867 [1,0,0,0,0,0|1,0,0]=2 196 B4R0.2 CCCCO L13171 [1,0,0,0,0,0|1,0,0]=2 197 B4R0.2 CCCCS 43421 [1,0,0,0,0,0|1,0,0]=2 198 B4R0.2 CCCC[Mg+] 41676 [1,0,0,0,0,0|2,0,0]=3 199 B4R0.2 CCCC[Mg+] 46117 [1,0,0,0,0,0|2,0,0]=3 200 B4R0.2 CCCC[O-] 33496 [1,0,0,0,0,0|1,0,1]=3 201 B4R0.2 CCCC[O-] 36570 [1,0,0,0,0,0|1,0,1]=3 202 B4R0.2 CCCC[O-] 40816 [1,0,0,0,0,0|1,0,1]=3 203 B4R0.2 CCCC[O-] 43295 [1,0,0,0,0,0|1,0,1]=3 204 B4R0.2 CCCC[O-] 44209 [1,0,0,0,0,0|1,0,1]=3 205 B4R0.2 CCCC[O-] 77124 [1,0,0,0,0,0|1,0,1]=3 206 B4R0.2 CCCC[O-] 87754 [1,0,0,0,0,0|1,0,1]=3 207 B4R0.2 CCCC[O-] B23317 [1,0,0,0,0,0|1,0,1]=3 208 B4R0.2 CCCC[Sn+3] 71125 [1,0,0,0,0,0|2,0,0]=3 209 B4R0.2 CCCC[Zn+] H58121 [1,0,0,0,0,0|2,0,0]=3 210 B4R0.2 CCCNC A16903 [1,0,0,0,0,0|3,0,0]=4 211 B4R0.2 CCCSC L09346 [1,0,0,0,0,0|3,0,0]=4 212 B4R0.2 CCNCC A10452 [1,0,0,0,0,0|3,0,0]=4 213 B4R0.2 CCNCC A11716 [1,0,0,0,0,0|3,0,0]=4 214 B4R0.2 CCNCC A13637 [1,0,0,0,0,0|3,0,0]=4 215 B4R0.2 CCOCC 16767 [1,0,0,0,0,0|3,0,0]=4 216 B4R0.2 CCOCC 33224 [1,0,0,0,0,0|3,0,0]=4 217 B4R0.2 CCOCC 38990 [1,0,0,0,0,0|3,0,0]=4 218 B4R0.2 CCOCC 40976 [1,0,0,0,0,0|3,0,0]=4 219 B4R0.2 CCOCC 41796 [1,0,0,0,0,0|3,0,0]=4 220 B4R0.2 CCOCC A15275 [1,0,0,0,0,0|3,0,0]=4 221 B4R0.2 CCOCC H33678 [1,0,0,0,0,0|3,0,0]=4 222 B4R0.2 CCOCC L15481 [1,0,0,0,0,0|3,0,0]=4 223 B4R0.2 CCSCC 10482 [1,0,0,0,0,0|3,0,0]=4 224 B4R0.2 CCSCC 10484 [1,0,0,0,0,0|3,0,0]=4 225 B4R0.2 CCSCC L03493 [1,0,0,0,0,0|3,0,0]=4 226 B4R0.2 CC[Al+]CC 87625 [1,0,0,0,0,0|3,0,0]=4 227 B4R0.2 CC[Al+]CC 89035 [1,0,0,0,0,0|3,0,0]=4 228 B4R0.2 CC[N-]CC 40445 [1,0,0,0,0,0|3,0,0]=4 229 B4R0.2 CC[N-]CC 42759 [1,0,0,0,0,0|3,0,0]=4 230 B4R0.2 CC[N-]CC 42855 [1,0,0,0,0,0|3,0,0]=4 231 B4R0.2 CC[N-]CC 43419 [1,0,0,0,0,0|3,0,0]=4 232 B4R0.2 CC[SiH2]CC L16468 [1,0,0,0,0,0|2,1,0]=4 233 B4R0.2 CC[Sn+2]CC 71155 [1,0,0,0,0,0|3,0,0]=4 234 B4R0.2 CC[Zn]CC 39564 [1,0,0,0,0,0|3,0,0]=4 235 B4R0.2 CC[Zn]CC 44880 [1,0,0,0,0,0|3,0,0]=4 236 B4R0.2 CC[Zn]CC 89038 [1,0,0,0,0,0|3,0,0]=4 237 B4R0.2 CNCCN A12165 [1,0,0,0,0,0|3,0,0]=4 238 B4R0.2 CNCCO B23180 [1,0,0,0,0,0|2,0,0]=3 239 B4R0.2 COCCBr A15370 [1,0,0,0,0,0|3,0,0]=4 240 B4R0.2 COCCCl B24081 [1,0,0,0,0,0|3,0,0]=4 241 B4R0.2 COCCN B22924 [1,0,0,0,0,0|3,0,0]=4 242 B4R0.2 COCCO 31733 [1,0,0,0,0,0|2,0,0]=3 243 B4R0.2 COCCO 32444 [1,0,0,0,0,0|2,0,0]=3 244 B4R0.2 COCCO A17459 [1,0,0,0,0,0|2,0,0]=3 245 B4R0.2 COCC[O-] 40471 [1,0,0,0,0,0|2,0,1]=4 246 B4R0.2 COCC[O-] 41237 [1,0,0,0,0,0|2,0,1]=4 247 B4R0.2 COCC[O-] 41256 [1,0,0,0,0,0|2,0,1]=4 248 B4R0.2 COCC[O-] 41793 [1,0,0,0,0,0|2,0,1]=4 249 B4R0.2 COCC[O-] 42377 [1,0,0,0,0,0|2,0,1]=4 250 B4R0.2 COCC[O-] 42378 [1,0,0,0,0,0|2,0,1]=4 251 B4R0.2 COCC[O-] 42522 [1,0,0,0,0,0|2,0,1]=4 252 B4R0.2 COCC[O-] 42819 [1,0,0,0,0,0|2,0,1]=4 253 B4R0.2 COCC[O-] 43903 [1,0,0,0,0,0|2,0,1]=4 254 B4R0.2 COCC[O-] A13292 [1,0,0,0,0,0|2,0,1]=4 255 B4R0.2 CSCCN B22941 [1,0,0,0,0,0|3,0,0]=4 256 B4R0.2 CSCCO L05442 [1,0,0,0,0,0|2,0,0]=3 257 B4R0.2 C\C=C\CO A10681 [1,0,0,0,0,0|1,0,2]=4 258 B4R0.2 [Li]CCCC 41248 [1,0,0,0,0,0|2,0,0]=3 259 B4R0.2 [Li]CCCC 43314 [1,0,0,0,0,0|2,0,0]=3 260 B4R0.2 [Li]CCCC 44109 [1,0,0,0,0,0|2,0,0]=3 261 B4R0.2 [Li]CCCC 47107 [1,0,0,0,0,0|2,0,0]=3 262 B4R0.2 [Li]CCCC H66688 [1,0,0,0,0,0|2,0,0]=3 263 B4R0.2 [Li]CCCC L13559 [1,0,0,0,0,0|2,0,0]=3 264 B4R0.2 [Li]CCCC L14775 [1,0,0,0,0,0|2,0,0]=3 265 B6R0.1 C(C(=O)NCO)Cl A12247 [0,1,0,0,0,0|1,1,1]=4 266 B6R0.1 C(CO)C(CO)O L05138 [0,1,0,0,0,0|0,2,0]=3 267 B6R0.1 C(CO)[C@@H](CO)O L20258 [0,1,0,0,0,0|0,2,0]=3 268 B6R0.1 CCC(C)CCO B22356 [0,1,0,0,0,0|2,0,0]=3 269 B6R0.1 CCC(CC#C)O L05437 [0,1,0,0,0,0|2,1,0]=4 270 B6R0.1 CCCC(CC)Br L00818 [0,1,0,0,0,0|3,0,0]=4 271 B6R0.1 CCCC(CC)O B20210 [0,1,0,0,0,0|2,1,0]=4 272 B6R0.1 CCCC(CC)[Zn+] H58535 [0,1,0,0,0,0|3,0,0]=4 273 B6R0.1 CCOC(=O)CO 41475 [0,1,0,0,0,0|1,1,1]=4 274 B6R0.1 CCOC(=O)CS A14321 [0,1,0,0,0,0|1,1,1]=4 275 B6R0.1 CNCC(CO)O L12653 [0,1,0,0,0,0|1,1,0]=3 276 B6R0.1 COCC(CCl)O L16239 [0,1,0,0,0,0|1,1,0]=3 277 B6R0.1 COCC(CO)O L08011 [0,1,0,0,0,0|0,2,0]=3 278 B6R0.3 C(C(C(=O)O)Br)F H31718 [0,1,0,0,0,0|2,0,1]=4 279 B6R0.3 C(C(C(=O)O)N)N L09485 [0,1,0,0,0,0|2,0,1]=4 280 B6R0.3 C(C(C(=O)O)N)O A15184 [0,1,0,0,0,0|1,1,1]=4 281 B6R0.3 C(C(C(=O)O)N)S H25779 [0,1,0,0,0,0|1,0,1]=3 282 B6R0.3 C(C(C(=O)O)N)S H56126 [0,1,0,0,0,0|1,0,1]=3 283 B6R0.3 C(C(C(=O)O)O)N H53412 [0,1,0,0,0,0|1,1,1]=4 284 B6R0.3 C(C(C(=O)[O-])O)O L08214 [0,1,0,0,0,0|0,2,1]=4 285 B6R0.3 C([C@@H](C(=O)N)N)O H65169 [0,1,0,0,0,0|1,1,1]=4 286 B6R0.3 C([C@@H](C(=O)O)N)N H62128 [0,1,0,0,0,0|2,0,1]=4 287 B6R0.3 C([C@@H](C(=O)O)N)O A11179 [0,1,0,0,0,0|1,1,1]=4 288 B6R0.3 C([C@@H](C(=O)O)N)S A10389 [0,1,0,0,0,0|1,0,1]=3 289 B6R0.3 C([C@@H](C(=O)O)N)S A10435 [0,1,0,0,0,0|1,0,1]=3 290 B6R0.3 C([C@@H](C(=O)O)N)S L06328 [0,1,0,0,0,0|1,0,1]=3 291 B6R0.3 C([C@@H](C(=O)O)O)N H60945 [0,1,0,0,0,0|1,1,1]=4 292 B6R0.3 C([C@H](C(=O)O)N)O A11353 [0,1,0,0,0,0|1,1,1]=4 293 B6R0.3 C([C@H](C(=O)O)N)S H27107 [0,1,0,0,0,0|1,0,1]=3 294 B6R0.3 C([C@H](C(=O)O)N)S H62627 [0,1,0,0,0,0|1,0,1]=3 295 B6R0.3 CC(C)[C@@H](CO)N L11300 [0,1,0,0,0,0|2,0,0]=3 296 B6R0.3 CC(C)[C@H](CO)N L14166 [0,1,0,0,0,0|2,0,0]=3 297 B6R0.3 CC(CO)C(=O)C H28483 [0,1,0,0,0,0|1,1,1]=4 298 B6R0.3 CC(CO)[N+](=O)[O-] 43843 [0,1,0,0,0,0|2,1,0]=4 299 B6R0.3 CCC(C(=O)C)S B21797 [0,1,0,0,0,0|1,0,2]=4 300 B6R0.3 CCC(C(=O)O)Br B21743 [0,1,0,0,0,0|2,0,1]=4 301 B6R0.3 CCC(C(=O)O)Cl L20083 [0,1,0,0,0,0|2,0,1]=4 302 B6R0.3 CCC(C(=O)O)N L06035 [0,1,0,0,0,0|2,0,1]=4 303 B6R0.3 CCC(C(C)C)O L08015 [0,1,0,0,0,0|2,1,0]=4 304 B6R0.3 CCC(C)C(=O)O A11546 [0,1,0,0,0,0|2,0,1]=4 305 B6R0.3 CCC(C)C(C)C 43707 [0,1,0,0,0,0|3,0,0]=4 306 B6R0.3 CC[C@@H](C(=O)O)N L13984 [0,1,0,0,0,0|2,0,1]=4 307 B6R0.3 CC[C@H](C(=O)O)N L14096 [0,1,0,0,0,0|2,0,1]=4 308 B6R0.8 CC(C)(CN)CO L10429 [0,1,0,0,0,0|2,0,0]=3 309 B6R0.8 CC(C)(CO)CO A10340 [0,1,0,0,0,0|1,1,0]=3 310 B6R0.8 CCC(C)(C)CC 43706 [0,1,0,0,0,0|3,0,0]=4 311 B6R0.9 CCC(CC)C=O B23465 [0,1,0,0,0,0|2,1,0]=4 312 B6R0.9 CCC(CC)CBr H26445 [0,1,0,0,0,0|3,0,0]=4 313 B6R0.9 CCC(CC)CN B20855 [0,1,0,0,0,0|3,0,0]=4 314 B6R0.9 CCC(CC)CO B21026 [0,1,0,0,0,0|2,0,0]=3 315 B6R0.9 CCC(CC)C[Zn+] H58054 [0,1,0,0,0,0|3,0,0]=4 316 B6R0.9 COC(CO)OC L07099 [0,1,0,0,0,0|2,1,0]=4 317 B6R1.2 C1CCC(C1)Br A15455 [0,0,0,1,0,0|3,0,0]=4 318 B6R1.2 C1CCC(C1)Cl B25023 [0,0,0,1,0,0|3,0,0]=4 319 B6R1.2 C1CCC(C1)I L01522 [0,0,0,1,0,0|3,0,0]=4 320 B6R1.2 C1CCC(C1)N L01966 [0,0,0,1,0,0|3,0,0]=4 321 B6R1.2 C1CCC(C1)O A15249 [0,0,0,1,0,0|2,1,0]=4 322 B6R1.2 C1CCC(C1)S 39539 [0,0,0,1,0,0|2,0,0]=3 323 B6R1.2 C1CCC(C1)S L03577 [0,0,0,1,0,0|2,0,0]=3 324 B6R1.2 C1CCC(C1)[Mg+] H51166 [0,0,0,1,0,0|3,0,0]=4 325 B6R1.2 C1CCC(C1)[Zn+] H58764 [0,0,0,1,0,0|3,0,0]=4 326 B6R1.2 C1CNCC1Br H66833 [0,0,0,1,0,0|3,0,0]=4 327 B6R1.2 C1CNCC1O H64975 [0,0,0,1,0,0|2,1,0]=4 328 B6R1.2 C1CNC[C@@H]1F H26947 [0,0,0,1,0,0|3,0,0]=4 329 B6R1.2 C1CNC[C@@H]1N L11173 [0,0,0,1,0,0|3,0,0]=4 330 B6R1.2 C1CNC[C@@H]1O H52743 [0,0,0,1,0,0|2,1,0]=4 331 B6R1.2 C1CNC[C@@H]1O L19499 [0,0,0,1,0,0|2,1,0]=4 332 B6R1.2 C1CNC[C@H]1F H27536 [0,0,0,1,0,0|3,0,0]=4 333 B6R1.2 C1CNC[C@H]1N L12222 [0,0,0,1,0,0|3,0,0]=4 334 B6R1.2 C1CNC[C@H]1N L19500 [0,0,0,1,0,0|3,0,0]=4 335 B6R1.2 C1CNC[C@H]1O H52815 [0,0,0,1,0,0|2,1,0]=4 336 B6R1.2 C1CNC[C@H]1O L19498 [0,0,0,1,0,0|2,1,0]=4 337 B6R1.2 C1COCC1=O H66940 [0,0,0,1,0,0|1,1,1]=4 338 B6R1.2 C1COC[C@@H]1O H56307 [0,0,0,1,0,0|1,1,0]=3 339 B6R1.2 C1COC[C@H]1N H66034 [0,0,0,1,0,0|2,0,0]=3 340 B6R1.2 C1COC[C@H]1O H56476 [0,0,0,1,0,0|1,1,0]=3 341 B6R1.2 C1CSCC1=O A11002 [0,0,0,1,0,0|1,1,1]=4 342 B6R1.2 CC1CCCC1 L03988 [0,0,0,1,0,0|3,0,0]=4 343 B6R1.6 C1C(CN1)CO H57801 [0,0,0,1,0,0|2,0,0]=3 344 B6R1.6 C1C(CO1)CN H66510 [0,0,0,1,0,0|2,0,0]=3 345 B6R1.6 C1C(CO1)CO H66333 [0,0,0,1,0,0|1,1,0]=3 346 B6R1.6 C1CC(C1)CO B21480 [0,0,0,1,0,0|2,0,0]=3 347 B6R1.6 C1COC1CBr H66276 [0,0,0,1,0,0|2,1,0]=4 348 B6R1.6 C1COC1CI H66525 [0,0,0,1,0,0|2,1,0]=4 349 B6R1.6 C1COC1CO H66218 [0,0,0,1,0,0|1,1,0]=3 350 B6R1.6 CNC1COC1 H57425 [0,0,0,1,0,0|3,0,0]=4 351 B6R1.7 CC1(CO1)C=C L19768 [0,0,0,1,0,0|2,0,1]=4 352 B6R1.8 CC1CC1CO H27337 [0,0,0,1,0,0|2,0,0]=3 353 B3R0.1 C#CCO A10295 [2,0,0,0,0,0|0,0,2]=4 354 B3R0.1 C(CBr)Br A12766 [2,0,0,0,0,0|2,0,0]=4 355 B3R0.1 C(CBr)Cl A12349 [2,0,0,0,0,0|2,0,0]=4 356 B3R0.1 C(CBr)N A17625 [2,0,0,0,0,0|2,0,0]=4 357 B3R0.1 C(CBr)O A10275 [2,0,0,0,0,0|1,0,0]=3 358 B3R0.1 C(CCl)Cl 22918 [2,0,0,0,0,0|2,0,0]=4 359 B3R0.1 C(CCl)Cl 32462 [2,0,0,0,0,0|2,0,0]=4 360 B3R0.1 C(CCl)Cl 39121 [2,0,0,0,0,0|2,0,0]=4 361 B3R0.1 C(CCl)Cl A12775 [2,0,0,0,0,0|2,0,0]=4 362 B3R0.1 C(CCl)Cl H37962 [2,0,0,0,0,0|2,0,0]=4 363 B3R0.1 C(CCl)N A14455 [2,0,0,0,0,0|2,0,0]=4 364 B3R0.1 C(CCl)O 36636 [2,0,0,0,0,0|1,0,0]=3 365 B3R0.1 C(CF)O L01735 [2,0,0,0,0,0|1,0,0]=3 366 B3R0.1 C(CI)Cl L10742 [2,0,0,0,0,0|2,0,0]=4 367 B3R0.1 C(CI)I L03019 [2,0,0,0,0,0|2,0,0]=4 368 B3R0.1 C(CI)O A14658 [2,0,0,0,0,0|1,0,0]=3 369 B3R0.1 C(CN)N 10496 [2,0,0,0,0,0|2,0,0]=4 370 B3R0.1 C(CN)N 10497 [2,0,0,0,0,0|2,0,0]=4 371 B3R0.1 C(CN)N 10553 [2,0,0,0,0,0|2,0,0]=4 372 B3R0.1 C(CN)N 24127 [2,0,0,0,0,0|2,0,0]=4 373 B3R0.1 C(CN)N 39280 [2,0,0,0,0,0|2,0,0]=4 374 B3R0.1 C(CN)N 39667 [2,0,0,0,0,0|2,0,0]=4 375 B3R0.1 C(CN)N A12132 [2,0,0,0,0,0|2,0,0]=4 376 B3R0.1 C(CN)N A13563 [2,0,0,0,0,0|2,0,0]=4 377 B3R0.1 C(CN)N A17211 [2,0,0,0,0,0|2,0,0]=4 378 B3R0.1 C(CN)N L12401 [2,0,0,0,0,0|2,0,0]=4 379 B3R0.1 C(CO)N 22793 [2,0,0,0,0,0|1,0,0]=3 380 B3R0.1 C(CO)N 36260 [2,0,0,0,0,0|1,0,0]=3 381 B3R0.1 C(CO)N A11697 [2,0,0,0,0,0|1,0,0]=3 382 B3R0.1 C(CO)N L14322 [2,0,0,0,0,0|1,0,0]=3 383 B3R0.1 C(CO)O 44529 [2,0,0,0,0,0|0,1,0]=3 384 B3R0.1 C(CO)O A11591 [2,0,0,0,0,0|0,1,0]=3 385 B3R0.1 C(CP)P 39279 [2,0,0,0,0,0|2,0,0]=4 386 B3R0.1 C(CS)N A14377 [2,0,0,0,0,0|1,0,0]=3 387 B3R0.1 C(CS)O A15890 [2,0,0,0,0,0|0,0,0]=2 388 B3R0.1 C(CS)S L12865 [2,0,0,0,0,0|0,0,0]=2 389 B3R0.1 C=CCO A15026 [2,0,0,0,0,0|0,0,2]=4 390 B3R0.1 C=CCS A13616 [2,0,0,0,0,0|0,0,2]=4 391 B3R0.1 CCC#N A13203 [2,0,0,0,0,0|1,0,1]=4 392 B3R0.1 CCC=O A16146 [2,0,0,0,0,0|0,0,2]=4 393 B3R0.1 CCCBr A10461 [2,0,0,0,0,0|1,0,0]=3 394 B3R0.1 CCCI A14388 [2,0,0,0,0,0|1,0,0]=3 395 B3R0.1 CCCN 36635 [2,0,0,0,0,0|1,0,0]=3 396 B3R0.1 CCCN A11606 [2,0,0,0,0,0|1,0,0]=3 397 B3R0.1 CCCO 22932 [2,0,0,0,0,0|0,0,0]=2 398 B3R0.1 CCCO 22933 [2,0,0,0,0,0|0,0,0]=2 399 B3R0.1 CCCO 41465 [2,0,0,0,0,0|0,0,0]=2 400 B3R0.1 CCCO 41842 [2,0,0,0,0,0|0,0,0]=2 401 B3R0.1 CCCO 43848 [2,0,0,0,0,0|0,0,0]=2 402 B3R0.1 CCCO A19902 [2,0,0,0,0,0|0,0,0]=2 403 B3R0.1 CCCS 43420 [2,0,0,0,0,0|0,0,0]=2 404 B3R0.1 CCC[Mg+] H51162 [2,0,0,0,0,0|1,0,0]=3 405 B3R0.1 CCC[O-] 22989 [2,0,0,0,0,0|0,0,1]=3 406 B3R0.1 CCC[O-] 36571 [2,0,0,0,0,0|0,0,1]=3 407 B3R0.1 CCC[O-] 44673 [2,0,0,0,0,0|0,0,1]=3 408 B3R0.1 CCC[O-] 44770 [2,0,0,0,0,0|0,0,1]=3 409 B3R0.1 CCC[S-] H66135 [2,0,0,0,0,0|0,0,1]=3 410 B3R0.1 CCC[Zn+] H58119 [2,0,0,0,0,0|1,0,0]=3 411 B3R0.1 CCNC L04372 [2,0,0,0,0,0|2,0,0]=4 412 B3R0.1 CCSC L02859 [2,0,0,0,0,0|2,0,0]=4 413 B3R0.1 COCBr L09837 [2,0,0,0,0,0|2,0,0]=4 414 B3R0.1 CSCCl L10858 [2,0,0,0,0,0|2,0,0]=4 415 B3R0.1 C\C=N\O A10640 [2,0,0,0,0,0|1,0,1]=4 416 B3R0.2 B(C)(C)Br 33552 [2,0,0,0,0,0|2,0,0]=4 417 B3R0.2 B(C)(C)C L14994 [2,0,0,0,0,0|2,0,0]=4 418 B3R0.2 B(C)(O)O L15589 [2,0,0,0,0,0|1,1,0]=4 419 B3R0.2 CC(=O)C 19392 [2,0,0,0,0,0|0,1,1]=4 420 B3R0.2 CC(=O)C 22928 [2,0,0,0,0,0|0,1,1]=4 421 B3R0.2 CC(=O)C 30698 [2,0,0,0,0,0|0,1,1]=4 422 B3R0.2 CC(=O)C 32451 [2,0,0,0,0,0|0,1,1]=4 423 B3R0.2 CC(=O)C 43053 [2,0,0,0,0,0|0,1,1]=4 424 B3R0.2 CC(=O)C L10407 [2,0,0,0,0,0|0,1,1]=4 425 B3R0.2 CC(=O)O 10994 [2,0,0,0,0,0|0,1,1]=4 426 B3R0.2 CC(=O)O 33252 [2,0,0,0,0,0|0,1,1]=4 427 B3R0.2 CC(=O)O 35566 [2,0,0,0,0,0|0,1,1]=4 428 B3R0.2 CC(=O)O 35567 [2,0,0,0,0,0|0,1,1]=4 429 B3R0.2 CC(=O)O 35569 [2,0,0,0,0,0|0,1,1]=4 430 B3R0.2 CC(=O)O 35572 [2,0,0,0,0,0|0,1,1]=4 431 B3R0.2 CC(=O)O 36289 [2,0,0,0,0,0|0,1,1]=4 432 B3R0.2 CC(=O)O 39745 [2,0,0,0,0,0|0,1,1]=4 433 B3R0.2 CC(=O)O 88556 [2,0,0,0,0,0|0,1,1]=4 434 B3R0.2 CC(=O)O A11158 [2,0,0,0,0,0|0,1,1]=4 435 B3R0.2 CC(=S)O L03305 [2,0,0,0,0,0|0,0,2]=4 436 B3R0.2 CC(C)Br A12944 [2,0,0,0,0,0|1,0,0]=3 437 B3R0.2 CC(C)Cl L04535 [2,0,0,0,0,0|1,0,0]=3 438 B3R0.2 CC(C)I A15066 [2,0,0,0,0,0|1,0,0]=3 439 B3R0.2 CC(C)N A15044 [2,0,0,0,0,0|1,0,0]=3 440 B3R0.2 CC(C)O 19397 [2,0,0,0,0,0|0,1,0]=3 441 B3R0.2 CC(C)O 22906 [2,0,0,0,0,0|0,1,0]=3 442 B3R0.2 CC(C)O 36644 [2,0,0,0,0,0|0,1,0]=3 443 B3R0.2 CC(C)O 39194 [2,0,0,0,0,0|0,1,0]=3 444 B3R0.2 CC(C)O 40983 [2,0,0,0,0,0|0,1,0]=3 445 B3R0.2 CC(C)O 41463 [2,0,0,0,0,0|0,1,0]=3 446 B3R0.2 CC(C)O 41840 [2,0,0,0,0,0|0,1,0]=3 447 B3R0.2 CC(C)O 45648 [2,0,0,0,0,0|0,1,0]=3 448 B3R0.2 CC(C)O 45657 [2,0,0,0,0,0|0,1,0]=3 449 B3R0.2 CC(C)O 86118 [2,0,0,0,0,0|0,1,0]=3 450 B3R0.2 CC(C)O L10181 [2,0,0,0,0,0|0,1,0]=3 451 B3R0.2 CC(C)S 43422 [2,0,0,0,0,0|0,0,0]=2 452 B3R0.2 CC(C)[Mg+] 47257 [2,0,0,0,0,0|1,0,0]=3 453 B3R0.2 CC(C)[Mg+] 47266 [2,0,0,0,0,0|1,0,0]=3 454 B3R0.2 CC(C)[Mg+] 47273 [2,0,0,0,0,0|1,0,0]=3 455 B3R0.2 CC(C)[Mg+] H51155 [2,0,0,0,0,0|1,0,0]=3 456 B3R0.2 CC(C)[Mg+] H54840 [2,0,0,0,0,0|1,0,0]=3 457 B3R0.2 CC(C)[O-] 14007 [2,0,0,0,0,0|0,1,0]=3 458 B3R0.2 CC(C)[O-] 14477 [2,0,0,0,0,0|0,1,0]=3 459 B3R0.2 CC(C)[O-] 14481 [2,0,0,0,0,0|0,1,0]=3 460 B3R0.2 CC(C)[O-] 14523 [2,0,0,0,0,0|0,1,0]=3 461 B3R0.2 CC(C)[O-] 14524 [2,0,0,0,0,0|0,1,0]=3 462 B3R0.2 CC(C)[O-] 14616 [2,0,0,0,0,0|0,1,0]=3 463 B3R0.2 CC(C)[O-] 16352 [2,0,0,0,0,0|0,1,0]=3 464 B3R0.2 CC(C)[O-] 22982 [2,0,0,0,0,0|0,1,0]=3 465 B3R0.2 CC(C)[O-] 35794 [2,0,0,0,0,0|0,1,0]=3 466 B3R0.2 CC(C)[O-] 35821 [2,0,0,0,0,0|0,1,0]=3 467 B3R0.2 CC(C)[O-] 36563 [2,0,0,0,0,0|0,1,0]=3 468 B3R0.2 CC(C)[O-] 36565 [2,0,0,0,0,0|0,1,0]=3 469 B3R0.2 CC(C)[O-] 36572 [2,0,0,0,0,0|0,1,0]=3 470 B3R0.2 CC(C)[O-] 36573 [2,0,0,0,0,0|0,1,0]=3 471 B3R0.2 CC(C)[O-] 36579 [2,0,0,0,0,0|0,1,0]=3 472 B3R0.2 CC(C)[O-] 36582 [2,0,0,0,0,0|0,1,0]=3 473 B3R0.2 CC(C)[O-] 36583 [2,0,0,0,0,0|0,1,0]=3 474 B3R0.2 CC(C)[O-] 36585 [2,0,0,0,0,0|0,1,0]=3 475 B3R0.2 CC(C)[O-] 36589 [2,0,0,0,0,0|0,1,0]=3 476 B3R0.2 CC(C)[O-] 36590 [2,0,0,0,0,0|0,1,0]=3 477 B3R0.2 CC(C)[O-] 36591 [2,0,0,0,0,0|0,1,0]=3 478 B3R0.2 CC(C)[O-] 36593 [2,0,0,0,0,0|0,1,0]=3 479 B3R0.2 CC(C)[O-] 36594 [2,0,0,0,0,0|0,1,0]=3 480 B3R0.2 CC(C)[O-] 36613 [2,0,0,0,0,0|0,1,0]=3 481 B3R0.2 CC(C)[O-] 39153 [2,0,0,0,0,0|0,1,0]=3 482 B3R0.2 CC(C)[O-] 39159 [2,0,0,0,0,0|0,1,0]=3 483 B3R0.2 CC(C)[O-] 39162 [2,0,0,0,0,0|0,1,0]=3 484 B3R0.2 CC(C)[O-] 39165 [2,0,0,0,0,0|0,1,0]=3 485 B3R0.2 CC(C)[O-] 39167 [2,0,0,0,0,0|0,1,0]=3 486 B3R0.2 CC(C)[O-] 39320 [2,0,0,0,0,0|0,1,0]=3 487 B3R0.2 CC(C)[O-] 39579 [2,0,0,0,0,0|0,1,0]=3 488 B3R0.2 CC(C)[O-] 40038 [2,0,0,0,0,0|0,1,0]=3 489 B3R0.2 CC(C)[O-] 40247 [2,0,0,0,0,0|0,1,0]=3 490 B3R0.2 CC(C)[O-] 40520 [2,0,0,0,0,0|0,1,0]=3 491 B3R0.2 CC(C)[O-] 41046 [2,0,0,0,0,0|0,1,0]=3 492 B3R0.2 CC(C)[O-] 41047 [2,0,0,0,0,0|0,1,0]=3 493 B3R0.2 CC(C)[O-] 41262 [2,0,0,0,0,0|0,1,0]=3 494 B3R0.2 CC(C)[O-] 41269 [2,0,0,0,0,0|0,1,0]=3 495 B3R0.2 CC(C)[O-] 41271 [2,0,0,0,0,0|0,1,0]=3 496 B3R0.2 CC(C)[O-] 41311 [2,0,0,0,0,0|0,1,0]=3 497 B3R0.2 CC(C)[O-] 41338 [2,0,0,0,0,0|0,1,0]=3 498 B3R0.2 CC(C)[O-] 41377 [2,0,0,0,0,0|0,1,0]=3 499 B3R0.2 CC(C)[O-] 41484 [2,0,0,0,0,0|0,1,0]=3 500 B3R0.2 CC(C)[O-] 41836 [2,0,0,0,0,0|0,1,0]=3 501 B3R0.2 CC(C)[O-] 41843 [2,0,0,0,0,0|0,1,0]=3 502 B3R0.2 CC(C)[O-] 41971 [2,0,0,0,0,0|0,1,0]=3 503 B3R0.2 CC(C)[O-] 42098 [2,0,0,0,0,0|0,1,0]=3 504 B3R0.2 CC(C)[O-] 42277 [2,0,0,0,0,0|0,1,0]=3 505 B3R0.2 CC(C)[O-] 42302 [2,0,0,0,0,0|0,1,0]=3 506 B3R0.2 CC(C)[O-] 42375 [2,0,0,0,0,0|0,1,0]=3 507 B3R0.2 CC(C)[O-] 42376 [2,0,0,0,0,0|0,1,0]=3 508 B3R0.2 CC(C)[O-] 42673 [2,0,0,0,0,0|0,1,0]=3 509 B3R0.2 CC(C)[O-] 42810 [2,0,0,0,0,0|0,1,0]=3 510 B3R0.2 CC(C)[O-] 42839 [2,0,0,0,0,0|0,1,0]=3 511 B3R0.2 CC(C)[O-] 42840 [2,0,0,0,0,0|0,1,0]=3 512 B3R0.2 CC(C)[O-] 42930 [2,0,0,0,0,0|0,1,0]=3 513 B3R0.2 CC(C)[O-] 43024 [2,0,0,0,0,0|0,1,0]=3 514 B3R0.2 CC(C)[O-] 43175 [2,0,0,0,0,0|0,1,0]=3 515 B3R0.2 CC(C)[O-] 43938 [2,0,0,0,0,0|0,1,0]=3 516 B3R0.2 CC(C)[O-] 44451 [2,0,0,0,0,0|0,1,0]=3 517 B3R0.2 CC(C)[O-] 44468 [2,0,0,0,0,0|0,1,0]=3 518 B3R0.2 CC(C)[O-] 44474 [2,0,0,0,0,0|0,1,0]=3 519 B3R0.2 CC(C)[O-] 44562 [2,0,0,0,0,0|0,1,0]=3 520 B3R0.2 CC(C)[O-] 44873 [2,0,0,0,0,0|0,1,0]=3 521 B3R0.2 CC(C)[O-] 45480 [2,0,0,0,0,0|0,1,0]=3 522 B3R0.2 CC(C)[O-] 45651 [2,0,0,0,0,0|0,1,0]=3 523 B3R0.2 CC(C)[O-] 77115 [2,0,0,0,0,0|0,1,0]=3 524 B3R0.2 CC(C)[O-] 89446 [2,0,0,0,0,0|0,1,0]=3 525 B3R0.2 CC(C)[O-] 89798 [2,0,0,0,0,0|0,1,0]=3 526 B3R0.2 CC(C)[O-] A13703 [2,0,0,0,0,0|0,1,0]=3 527 B3R0.2 CC(C)[Zn+] H58536 [2,0,0,0,0,0|1,0,0]=3 528 B3R0.2 CC(Cl)Br L01910 [2,0,0,0,0,0|2,0,0]=4 529 B3R0.2 CN(C)C 42964 [2,0,0,0,0,0|2,0,0]=4 530 B3R0.2 CN(C)C 43282 [2,0,0,0,0,0|2,0,0]=4 531 B3R0.2 CN(C)C H27324 [2,0,0,0,0,0|2,0,0]=4 532 B3R0.2 CN(C)C H32899 [2,0,0,0,0,0|2,0,0]=4 533 B3R0.2 CN(C)C L00302 [2,0,0,0,0,0|2,0,0]=4 534 B3R0.2 CN(C)C L04718 [2,0,0,0,0,0|2,0,0]=4 535 B3R0.2 CP(C)C 30143 [2,0,0,0,0,0|2,0,0]=4 536 B3R0.2 CP(C)Cl 30160 [2,0,0,0,0,0|2,0,0]=4 537 B3R0.2 CS(=O)C 22914 [2,0,0,0,0,0|1,1,0]=4 538 B3R0.2 CS(=O)C 32434 [2,0,0,0,0,0|1,1,0]=4 539 B3R0.2 CS(=O)C 36480 [2,0,0,0,0,0|1,1,0]=4 540 B3R0.2 CS(=O)C 42780 [2,0,0,0,0,0|1,1,0]=4 541 B3R0.2 CS(=O)C 43998 [2,0,0,0,0,0|1,1,0]=4 542 B3R0.2 CS(=O)C A13280 [2,0,0,0,0,0|1,1,0]=4 543 B3R0.2 C[Al](C)C 42836 [2,0,0,0,0,0|2,0,0]=4 544 B3R0.2 C[N+](=C)C A15146 [2,0,0,0,0,0|2,0,0]=4 545 B3R0.2 C[Pt+](C)C 39286 [2,0,0,0,0,0|2,0,0]=4 546 B3R0.2 C[S+](C)C A12639 [2,0,0,0,0,0|2,0,0]=4 547 B3R0.2 C[S+](C)C B25098 [2,0,0,0,0,0|2,0,0]=4 548 B3R0.2 C[SiH](C)Cl A13113 [2,0,0,0,0,0|1,1,0]=4 549 B3R0.2 C[Sn+](C)C 71153 [2,0,0,0,0,0|2,0,0]=4 550 B3R0.2 C[Sn+](C)C 71166 [2,0,0,0,0,0|2,0,0]=4 551 B3R0.2 C[Sn+](C)C 71167 [2,0,0,0,0,0|2,0,0]=4 552 B3R0.2 C[Sn+](C)C H59406 [2,0,0,0,0,0|2,0,0]=4 553 B5R0.1 C(CS)C(=O)O A13261 [1,1,0,0,0,0|0,1,1]=4 554 B5R0.1 CC(=C)CCO B23398 [1,1,0,0,0,0|1,0,1]=4 555 B5R0.1 CC(=CCO)C A16089 [1,1,0,0,0,0|1,0,1]=4 556 B5R0.1 CC(=CCO)C H36436 [1,1,0,0,0,0|1,0,1]=4 557 B5R0.1 CC(=O)CCO L11456 [1,1,0,0,0,0|0,1,1]=4 558 B5R0.1 CC(=O)CSC B24149 [1,1,0,0,0,0|0,1,1]=4 559 B5R0.1 CC(=O)NCO A13820 [1,1,0,0,0,0|0,1,1]=4 560 B5R0.1 CC(C)CC#C L05537 [1,1,0,0,0,0|2,0,0]=4 561 B5R0.1 CC(C)CC=C 33029 [1,1,0,0,0,0|2,0,0]=4 562 B5R0.1 CC(C)CC=C L03372 [1,1,0,0,0,0|2,0,0]=4 563 B5R0.1 CC(C)CC=O A19640 [1,1,0,0,0,0|1,0,1]=4 564 B5R0.1 CC(C)CCBr A14492 [1,1,0,0,0,0|2,0,0]=4 565 B5R0.1 CC(C)CCCl L11371 [1,1,0,0,0,0|2,0,0]=4 566 B5R0.1 CC(C)CCI L05194 [1,1,0,0,0,0|2,0,0]=4 567 B5R0.1 CC(C)CCN L02260 [1,1,0,0,0,0|2,0,0]=4 568 B5R0.1 CC(C)CCO 36716 [1,1,0,0,0,0|1,0,0]=3 569 B5R0.1 CC(C)CCO L13660 [1,1,0,0,0,0|1,0,0]=3 570 B5R0.1 CC(C)CCS L09661 [1,1,0,0,0,0|1,0,0]=3 571 B5R0.1 CC(C)CC[Zn+] H58436 [1,1,0,0,0,0|2,0,0]=4 572 B5R0.1 CC(C)CNC 42947 [1,1,0,0,0,0|2,0,0]=4 573 B5R0.1 CC(C)CNN H64287 [1,1,0,0,0,0|2,0,0]=4 574 B5R0.1 CC(CC#C)O L02752 [1,1,0,0,0,0|1,1,0]=4 575 B5R0.1 CC(CC=C)O B20208 [1,1,0,0,0,0|1,1,0]=4 576 B5R0.1 CC(CCBr)Br B24123 [1,1,0,0,0,0|2,0,0]=4 577 B5R0.1 CC(CCO)O A11684 [1,1,0,0,0,0|0,1,0]=3 578 B5R0.1 CC(COC)O 41547 [1,1,0,0,0,0|0,1,0]=3 579 B5R0.1 CC(COC)O L12694 [1,1,0,0,0,0|0,1,0]=3 580 B5R0.1 CC(COC)[O-] 41257 [1,1,0,0,0,0|0,1,0]=3 581 B5R0.1 CCCC(C)Br A17205 [1,1,0,0,0,0|2,0,0]=4 582 B5R0.1 CCCC(C)C L03001 [1,1,0,0,0,0|2,0,0]=4 583 B5R0.1 CCCC(C)O B21217 [1,1,0,0,0,0|1,1,0]=4 584 B5R0.1 CCCC(C)[Zn+] H58078 [1,1,0,0,0,0|2,0,0]=4 585 B5R0.1 CCC[C@H](C)O L09314 [1,1,0,0,0,0|1,1,0]=4 586 B5R0.1 CCNC(C)C L04089 [1,1,0,0,0,0|2,0,0]=4 587 B5R0.1 CN(C)CCO B23616 [1,1,0,0,0,0|2,0,0]=4 588 B5R0.1 CSCC(=O)O B22531 [1,1,0,0,0,0|0,1,1]=4 589 B5R0.1 CSCS(=O)C L00510 [1,1,0,0,0,0|1,1,0]=4 590 B5R0.1 C[C@@H](CC=C)O B25728 [1,1,0,0,0,0|1,1,0]=4 591 B5R0.1 C[C@@H](COC)N L16325 [1,1,0,0,0,0|1,0,0]=3 592 B5R0.1 C[C@H](CC=C)O B25659 [1,1,0,0,0,0|1,1,0]=4 593 B5R0.1 C[C@H](CCO)O B25124 [1,1,0,0,0,0|0,1,0]=3 594 B5R0.4 C(C(Br)(Br)Br)O A18706 [1,1,0,0,0,0|2,0,0]=4 595 B5R0.4 C(C(Cl)(Cl)Cl)O L08163 [1,1,0,0,0,0|2,0,0]=4 596 B5R0.4 C(C(F)(F)F)O A10788 [1,1,0,0,0,0|2,0,0]=4 597 B5R0.4 C(C(F)(F)F)O L16898 [1,1,0,0,0,0|2,0,0]=4 598 B5R0.4 CC(C)(C)CBr L03579 [1,1,0,0,0,0|2,0,0]=4 599 B5R0.4 CC(C)(C)CCl L02365 [1,1,0,0,0,0|2,0,0]=4 600 B5R0.4 CC(C)(C)CO A14390 [1,1,0,0,0,0|1,0,0]=3 601 B5R0.4 CC(C)(C)C[Mg+] H54879 [1,1,0,0,0,0|2,0,0]=4 602 B5R0.4 CC(C)(C)OO A13926 [1,1,0,0,0,0|2,0,0]=4 603 B5R0.4 CC(C)(CCl)Br A19974 [1,1,0,0,0,0|2,0,0]=4 604 B5R0.4 CC(C)(CCl)O A18978 [1,1,0,0,0,0|1,1,0]=4 605 B5R0.4 CC(C)(CO)N A17814 [1,1,0,0,0,0|1,0,0]=3 606 B5R0.4 CCC(C)(C)C L03295 [1,1,0,0,0,0|2,0,0]=4 607 B5R0.4 CCC(C)(C)Cl A11703 [1,1,0,0,0,0|2,0,0]=4 608 B5R0.4 CCC(C)(C)N B24639 [1,1,0,0,0,0|2,0,0]=4 609 B5R0.4 CCC(C)(C)O A18304 [1,1,0,0,0,0|1,1,0]=4 610 B5R0.4 CCC(C)(C)[Mg+] H54824 [1,1,0,0,0,0|2,0,0]=4 611 B5R0.4 CCC(C)(C)[O-] 36562 [1,1,0,0,0,0|1,1,0]=4 612 B5R0.4 CCC(C)(C)[O-] 41203 [1,1,0,0,0,0|1,1,0]=4 613 B5R0.4 CCC(C)(C)[O-] 41394 [1,1,0,0,0,0|1,1,0]=4 614 B5R0.4 CCC(C)(C)[O-] L15111 [1,1,0,0,0,0|1,1,0]=4 615 B5R0.4 CCC(C)(C)[O-] L15112 [1,1,0,0,0,0|1,1,0]=4 616 B5R0.4 CCC(C)(C)[Zn+] H58312 [1,1,0,0,0,0|2,0,0]=4 617 B5R0.4 C[Si](C)(C)CO L04251 [1,1,0,0,0,0|1,1,0]=4 618 B5R0.5 B(C(C)C)(O)O L19962 [1,1,0,0,0,0|2,0,0]=4 619 B5R0.5 CC(C(=O)C)O A13752 [1,1,0,0,0,0|0,1,1]=4 620 B5R0.5 CC(C(=O)C)S B22494 [1,1,0,0,0,0|0,0,2]=4 621 B5R0.5 CC(C(=O)O)Br A17569 [1,1,0,0,0,0|1,0,1]=4 622 B5R0.5 CC(C(=O)O)Cl A12860 [1,1,0,0,0,0|1,0,1]=4 623 B5R0.5 CC(C(=O)O)F H25841 [1,1,0,0,0,0|1,0,1]=4 624 B5R0.5 CC(C(=O)O)N A12230 [1,1,0,0,0,0|1,0,1]=4 625 B5R0.5 CC(C(=O)O)O 36415 [1,1,0,0,0,0|0,1,1]=4 626 B5R0.5 CC(C(=O)O)O L14259 [1,1,0,0,0,0|0,1,1]=4 627 B5R0.5 CC(C(=O)O)S L10257 [1,1,0,0,0,0|0,0,1]=3 628 B5R0.5 CC(C(C)Br)Br A10219 [1,1,0,0,0,0|2,0,0]=4 629 B5R0.5 CC(C(C)Cl)Cl B21386 [1,1,0,0,0,0|2,0,0]=4 630 B5R0.5 CC(C(C)O)O H66369 [1,1,0,0,0,0|0,1,0]=3 631 B5R0.5 CC(C)C(=O)O L04038 [1,1,0,0,0,0|1,0,1]=4 632 B5R0.5 CC(C)C(C)C 43142 [1,1,0,0,0,0|2,0,0]=4 633 B5R0.5 CC(C)C(C)C B22223 [1,1,0,0,0,0|2,0,0]=4 634 B5R0.5 CC(C)C(C)N L02948 [1,1,0,0,0,0|2,0,0]=4 635 B5R0.5 CC(C)C(C)O L05347 [1,1,0,0,0,0|1,0,0]=3 636 B5R0.5 CC(C)C(C)S B22330 [1,1,0,0,0,0|1,0,0]=3 637 B5R0.5 C[C@@H](C(=O)O)Cl L09427 [1,1,0,0,0,0|1,0,1]=4 638 B5R0.5 C[C@@H](C(=O)O)N A15804 [1,1,0,0,0,0|1,0,1]=4 639 B5R0.5 C[C@@H](C(=O)O)O A17268 [1,1,0,0,0,0|0,1,1]=4 640 B5R0.5 C[C@@H](C(=O)O)O L13242 [1,1,0,0,0,0|0,1,1]=4 641 B5R0.5 C[C@@H](C(C)C)N L16332 [1,1,0,0,0,0|2,0,0]=4 642 B5R0.5 C[C@@H](C(C)C)O L09431 [1,1,0,0,0,0|1,0,0]=3 643 B5R0.5 C[C@H](C(=O)O)N A10231 [1,1,0,0,0,0|1,0,1]=4 644 B5R0.5 C[C@H](C(C)C)N L16330 [1,1,0,0,0,0|2,0,0]=4 645 B5R0.5 C[C@H](C(C)C)O L11008 [1,1,0,0,0,0|1,0,0]=3 646 B5R0.5 C[C@H]([C@@H](C)O)O L06586 [1,1,0,0,0,0|0,1,0]=3 647 B5R0.2 C#CCCCCl L02835 [1,1,0,0,0,0|2,0,0]=4 648 B5R0.2 C#CCCCO A10405 [1,1,0,0,0,0|1,0,0]=3 649 B5R0.2 C(C#CCCl)O L20159 [1,1,0,0,0,0|1,0,1]=4 650 B5R0.2 C(C#CCO)O A14539 [1,1,0,0,0,0|0,1,1]=4 651 B5R0.2 C(CC#N)CBr A10674 [1,1,0,0,0,0|2,0,0]=4 652 B5R0.2 C(CC#N)CCl A18942 [1,1,0,0,0,0|2,0,0]=4 653 B5R0.2 C(CC#N)C[Zn+] H58962 [1,1,0,0,0,0|2,0,0]=4 654 B5R0.2 C(CCBr)CBr A11669 [1,1,0,0,0,0|2,0,0]=4 655 B5R0.2 C(CCBr)CCl A11399 [1,1,0,0,0,0|2,0,0]=4 656 B5R0.2 C(CCBr)CF H64317 [1,1,0,0,0,0|2,0,0]=4 657 B5R0.2 C(CCBr)CO 16805 [1,1,0,0,0,0|1,0,0]=3 658 B5R0.2 C(CCCl)CCl B21337 [1,1,0,0,0,0|2,0,0]=4 659 B5R0.2 C(CCCl)CO L04042 [1,1,0,0,0,0|1,0,0]=3 660 B5R0.2 C(CCI)CCl L03302 [1,1,0,0,0,0|2,0,0]=4 661 B5R0.2 C(CCI)CI A16216 [1,1,0,0,0,0|2,0,0]=4 662 B5R0.2 C(CCN)CN A18312 [1,1,0,0,0,0|2,0,0]=4 663 B5R0.2 C(CCN)CN B21316 [1,1,0,0,0,0|2,0,0]=4 664 B5R0.2 C(CCO)CN A12680 [1,1,0,0,0,0|1,0,0]=3 665 B5R0.2 C(CCO)CO L03491 [1,1,0,0,0,0|0,1,0]=3 666 B5R0.2 C(CC[Zn+])CCl H58266 [1,1,0,0,0,0|2,0,0]=4 667 B5R0.2 C(CO)NC=O H52345 [1,1,0,0,0,0|0,1,1]=4 668 B5R0.2 C(\C=C/CO)O A19182 [1,1,0,0,0,0|0,1,1]=4 669 B5R0.2 C=CCCCBr A11219 [1,1,0,0,0,0|2,0,0]=4 670 B5R0.2 C=CCCCO A11178 [1,1,0,0,0,0|1,0,0]=3 671 B5R0.2 C=CCCC[Zn+] H58177 [1,1,0,0,0,0|2,0,0]=4 672 B5R0.2 CC#CCCO L02951 [1,1,0,0,0,0|1,0,1]=4 673 B5R0.2 CCC#CCO A12999 [1,1,0,0,0,0|1,0,1]=4 674 B5R0.2 CCCCC#C A13156 [1,1,0,0,0,0|2,0,0]=4 675 B5R0.2 CCCCC#N A10306 [1,1,0,0,0,0|2,0,0]=4 676 B5R0.2 CCCCC=C B20271 [1,1,0,0,0,0|2,0,0]=4 677 B5R0.2 CCCCC=O B21389 [1,1,0,0,0,0|1,0,1]=4 678 B5R0.2 CCCCCBr A10821 [1,1,0,0,0,0|2,0,0]=4 679 B5R0.2 CCCCCC 19353 [1,1,0,0,0,0|2,0,0]=4 680 B5R0.2 CCCCCC 32454 [1,1,0,0,0,0|2,0,0]=4 681 B5R0.2 CCCCCC 39199 [1,1,0,0,0,0|2,0,0]=4 682 B5R0.2 CCCCCC 41727 [1,1,0,0,0,0|2,0,0]=4 683 B5R0.2 CCCCCC 42100 [1,1,0,0,0,0|2,0,0]=4 684 B5R0.2 CCCCCC 43263 [1,1,0,0,0,0|2,0,0]=4 685 B5R0.2 CCCCCC 47104 [1,1,0,0,0,0|2,0,0]=4 686 B5R0.2 CCCCCC L09938 [1,1,0,0,0,0|2,0,0]=4 687 B5R0.2 CCCCCC L13233 [1,1,0,0,0,0|2,0,0]=4 688 B5R0.2 CCCCCCl B24733 [1,1,0,0,0,0|2,0,0]=4 689 B5R0.2 CCCCCI B20781 [1,1,0,0,0,0|2,0,0]=4 690 B5R0.2 CCCCCN A11674 [1,1,0,0,0,0|2,0,0]=4 691 B5R0.2 CCCCCO 30898 [1,1,0,0,0,0|1,0,0]=3 692 B5R0.2 CCCCCO A13093 [1,1,0,0,0,0|1,0,0]=3 693 B5R0.2 CCCCCO H33391 [1,1,0,0,0,0|1,0,0]=3 694 B5R0.2 CCCCCS L04330 [1,1,0,0,0,0|1,0,0]=3 695 B5R0.2 CCCCC[Mg+] 41278 [1,1,0,0,0,0|2,0,0]=4 696 B5R0.2 CCCCC[Mg+] H51175 [1,1,0,0,0,0|2,0,0]=4 697 B5R0.2 CCCCC[O-] 36569 [1,1,0,0,0,0|1,0,1]=4 698 B5R0.2 CCCCC[Zn+] H58633 [1,1,0,0,0,0|2,0,0]=4 699 B5R0.2 CCCCNC B23032 [1,1,0,0,0,0|2,0,0]=4 700 B5R0.2 CCCCSC L12039 [1,1,0,0,0,0|1,0,0]=3 701 B5R0.2 CCCNCC 14846 [1,1,0,0,0,0|2,0,0]=4 702 B5R0.2 CCC\C=N\O A11420 [1,1,0,0,0,0|1,0,1]=4 703 B5R0.2 CCNCCN B23577 [1,1,0,0,0,0|2,0,0]=4 704 B5R0.2 CCNCCO A15744 [1,1,0,0,0,0|1,0,0]=3 705 B5R0.2 CCOCCBr L04034 [1,1,0,0,0,0|2,0,0]=4 706 B5R0.2 CCOCCCl B24308 [1,1,0,0,0,0|2,0,0]=4 707 B5R0.2 CCOCCO A16100 [1,1,0,0,0,0|1,0,0]=3 708 B5R0.2 CCSCCN B22147 [1,1,0,0,0,0|2,0,0]=4 709 B5R0.2 CCSCCO L05040 [1,1,0,0,0,0|1,0,0]=3 710 B5R0.2 CC\C=C/CO A14262 [1,1,0,0,0,0|1,0,1]=4 711 B5R0.2 CNCCCN B23319 [1,1,0,0,0,0|2,0,0]=4 712 B5R0.2 CNCCCO H58818 [1,1,0,0,0,0|1,0,0]=3 713 B5R0.2 COCCC#N L07055 [1,1,0,0,0,0|1,0,1]=4 714 B5R0.2 COCCCN B24095 [1,1,0,0,0,0|1,0,0]=3 715 B5R0.2 COCCOC 45659 [1,1,0,0,0,0|2,0,0]=4 716 B5R0.2 COCCOC A12986 [1,1,0,0,0,0|2,0,0]=4 717 B5R0.2 CSCCC=O A14774 [1,1,0,0,0,0|0,0,2]=4 718 B5R0.2 CSCCCN H25846 [1,1,0,0,0,0|1,0,0]=3 719 B5R0.2 CSCCCO A10403 [1,1,0,0,0,0|0,0,0]=2 720 B7R0.2 CC(C)C[C@@H](CO)N B23745 [0,2,0,0,0,0|2,0,0]=4 721 B7R0.2 CC(C)C[C@H](CO)N L13243 [0,2,0,0,0,0|2,0,0]=4 722 B7R0.2 CCC(C)CC(=O)O A18886 [0,2,0,0,0,0|2,0,0]=4 723 B7R0.3 CCCCC(CO)O L06864 [0,2,0,0,0,0|1,1,0]=4 724 B7R0.3 CSCC[C@@H](CO)N B24211 [0,2,0,0,0,0|1,0,0]=3 725 B7R0.7 CC(CCO)CCO B20546 [0,2,0,0,0,0|1,1,0]=4 726 B7R0.7 CCCC(CCO)S B21965 [0,2,0,0,0,0|1,0,0]=3 727 B7R0.7 CSCC(CSC)O B21893 [0,2,0,0,0,0|0,2,0]=4 728 B7R0.10 C(C(C(CO)Br)Br)O B25260 [0,2,0,0,0,0|1,1,0]=4 729 B7R0.10 C(C(C(CS)O)O)S A15797 [0,2,0,0,0,0|0,1,0]=3 730 B7R0.10 C([C@H]([C@H](C=O)O)O)O B21093 [0,2,0,0,0,0|0,2,0]=4 731 B7R0.10 C([C@H]([C@H](CO)O)O)O A15813 [0,2,0,0,0,0|0,2,0]=4 732 B7R0.10 C([C@H]([C@H](CS)O)O)S A10138 [0,2,0,0,0,0|0,1,0]=3 733 B7R0.10 CC[C@H](C)[C@@H](CO)N H60556 [0,2,0,0,0,0|2,0,0]=4 734 B7R0.12 CCCC(CO)CO B22152 [0,2,0,0,0,0|1,1,0]=4 735 B7R0.13 C(C(C(F)F)(F)F)O B21594 [0,2,0,0,0,0|2,0,0]=4 736 B7R0.14 CC(C)(C)C(CO)O L07616 [0,2,0,0,0,0|1,1,0]=4 737 B7R0.18 C(C(CO)(CO)N)O 31801 [0,2,0,0,0,0|0,2,0]=4 738 B7R0.18 C(C(CO)(CO)N)O A11379 [0,2,0,0,0,0|0,2,0]=4 739 B7R0.18 C(C(CO)(CO)N)O A18494 [0,2,0,0,0,0|0,2,0]=4 740 B7R0.18 CC(CO)(CO)CO B24324 [0,2,0,0,0,0|0,2,0]=4 741 B7R0.18 CCC(CO)(CO)N B24509 [0,2,0,0,0,0|1,1,0]=4 742 B5R1.2 C1C(=O)CO1 H57870 [1,0,0,1,0,0|0,1,1]=4 743 B5R1.2 C1C(CN1)F H59454 [1,0,0,1,0,0|2,0,0]=4 744 B5R1.2 C1C(CN1)N H59318 [1,0,0,1,0,0|2,0,0]=4 745 B5R1.2 C1C(CN1)O H25842 [1,0,0,1,0,0|1,1,0]=4 746 B5R1.2 C1C(CO1)Br H57437 [1,0,0,1,0,0|1,0,0]=3 747 B5R1.2 C1C(CO1)I H57302 [1,0,0,1,0,0|1,0,0]=3 748 B5R1.2 C1C(CO1)N H57248 [1,0,0,1,0,0|1,0,0]=3 749 B5R1.2 C1C(CO1)O H57928 [1,0,0,1,0,0|0,1,0]=3 750 B5R1.2 C1CC(C1)Br A12817 [1,0,0,1,0,0|2,0,0]=4 751 B5R1.2 C1CC(C1)Cl A12561 [1,0,0,1,0,0|2,0,0]=4 752 B5R1.2 C1CC(C1)N A13423 [1,0,0,1,0,0|2,0,0]=4 753 B5R1.2 C1CC(C1)N B25400 [1,0,0,1,0,0|2,0,0]=4 754 B5R1.2 C1CC(C1)O A12430 [1,0,0,1,0,0|1,1,0]=4 755 B5R1.2 C1CC(C1)[Zn+] H58247 [1,0,0,1,0,0|2,0,0]=4 756 B5R1.3 C1C(O1)CCl A15823 [1,0,0,1,0,0|1,1,0]=4 757 B5R1.3 C1CC1CBr L01122 [1,0,0,1,0,0|2,0,0]=4 758 B5R1.3 C1CC1CCl L06986 [1,0,0,1,0,0|2,0,0]=4 759 B5R1.3 C1CC1CI H35309 [1,0,0,1,0,0|2,0,0]=4 760 B5R1.3 C1CC1CN A13946 [1,0,0,1,0,0|2,0,0]=4 761 B5R1.3 C1CC1CN L13353 [1,0,0,1,0,0|2,0,0]=4 762 B5R1.3 C1CC1CO A12567 [1,0,0,1,0,0|1,0,0]=3 763 B5R1.3 C1[C@@H](O1)CCl L14198 [1,0,0,1,0,0|1,1,0]=4 764 B5R1.3 C1[C@@H](O1)CO H63502 [1,0,0,1,0,0|0,1,0]=3 765 B5R1.3 C1[C@H](O1)CCl L14298 [1,0,0,1,0,0|1,1,0]=4 766 B5R1.3 CC[C@@H]1CO1 H58579 [1,0,0,1,0,0|1,1,0]=4 767 B5R1.3 CC[C@H]1CO1 H58104 [1,0,0,1,0,0|1,1,0]=4 768 B5R1.4 C[C@@H]1[C@@H](O1)C L10320 [1,0,0,1,0,0|1,1,0]=4 769 B5R1.4 C[C@H]1[C@@H](O1)C B22005 [1,0,0,1,0,0|1,1,0]=4 770 B5R1.5 CC1(CO1)C L09773 [1,0,0,1,0,0|1,0,0]=3 771 B5R1.1 C1CC=CC1 41461 [1,0,0,1,0,0|2,0,0]=4 772 B5R1.1 C1CC=CC1 A11027 [1,0,0,1,0,0|2,0,0]=4 773 B5R1.1 C1CCCC1 44814 [1,0,0,1,0,0|2,0,0]=4 774 B5R1.1 C1CCCC1 A14697 [1,0,0,1,0,0|2,0,0]=4 775 B5R1.1 C1CCNC1 A14852 [1,0,0,1,0,0|2,0,0]=4 776 B5R1.1 C1CCOC1 22904 [1,0,0,1,0,0|1,0,0]=3 777 B5R1.1 C1CCOC1 30760 [1,0,0,1,0,0|1,0,0]=3 778 B5R1.1 C1CCOC1 32468 [1,0,0,1,0,0|1,0,0]=3 779 B5R1.1 C1CCOC1 38994 [1,0,0,1,0,0|1,0,0]=3 780 B5R1.1 C1CCOC1 39460 [1,0,0,1,0,0|1,0,0]=3 781 B5R1.1 C1CCOC1 39550 [1,0,0,1,0,0|1,0,0]=3 782 B5R1.1 C1CCOC1 39594 [1,0,0,1,0,0|1,0,0]=3 783 B5R1.1 C1CCOC1 41819 [1,0,0,1,0,0|1,0,0]=3 784 B5R1.1 C1CCOC1 41820 [1,0,0,1,0,0|1,0,0]=3 785 B5R1.1 C1CCOC1 42254 [1,0,0,1,0,0|1,0,0]=3 786 B5R1.1 C1CCOC1 43291 [1,0,0,1,0,0|1,0,0]=3 787 B5R1.1 C1CCOC1 44505 [1,0,0,1,0,0|1,0,0]=3 788 B5R1.1 C1CCOC1 44608 [1,0,0,1,0,0|1,0,0]=3 789 B5R1.1 C1CCOC1 47122 [1,0,0,1,0,0|1,0,0]=3 790 B5R1.1 C1CCOC1 L13304 [1,0,0,1,0,0|1,0,0]=3 791 B5R1.1 C1CCOC1 L13961 [1,0,0,1,0,0|1,0,0]=3 792 B5R1.1 C1CCOC1 L17593 [1,0,0,1,0,0|1,0,0]=3 793 B5R1.1 C1CCSC1 L13908 [1,0,0,1,0,0|1,0,0]=3 794 B5R1.1 C1COC=C1 B20575 [1,0,0,1,0,0|1,0,1]=4 795 B5R1.1 C1COCO1 42897 [1,0,0,1,0,0|2,0,0]=4 796 B5R1.1 C1CSCN1 H26427 [1,0,0,1,0,0|2,0,0]=4 797 B7R1.1 C1CC(NC1)CO H62322 [0,1,0,1,0,0|2,0,0]=4 798 B7R1.1 C1CC(OC1)CO A17078 [0,1,0,1,0,0|1,1,0]=4 799 B7R1.1 C1CCC(C1)CO A11595 [0,1,0,1,0,0|2,0,0]=4 800 B7R1.1 C1CNCC1CO H57225 [0,1,0,1,0,0|2,0,0]=4 801 B7R1.1 C1CNC[C@@H]1CO H57871 [0,1,0,1,0,0|2,0,0]=4 802 B7R1.1 C1CNC[C@H]1CO H57199 [0,1,0,1,0,0|2,0,0]=4 803 B7R1.1 C1C[C@@H](NC1)CO L11109 [0,1,0,1,0,0|2,0,0]=4 804 B7R1.1 C1C[C@@H](OC1)CO L19044 [0,1,0,1,0,0|1,1,0]=4 805 B7R1.1 C1C[C@H](NC1)CO L09779 [0,1,0,1,0,0|2,0,0]=4 806 B7R1.2 C1C(COC1=O)O L20257 [0,1,0,1,0,0|0,2,0]=4 807 B7R1.2 C1[C@@H](COC1=O)O L20256 [0,1,0,1,0,0|0,2,0]=4 808 B7R1.2 C1[C@H](COC1=O)O L20255 [0,1,0,1,0,0|0,2,0]=4 809 B7R1.3 C1CCC(CC1)S 39540 [0,1,0,1,0,0|2,0,0]=4 810 B7R1.3 C1CCC(CC1)S B21656 [0,1,0,1,0,0|2,0,0]=4 811 B7R1.4 CC1CCCC1O A19978 [0,1,0,1,0,0|2,0,0]=4 812 B7R1.25 CC1(COC1)CO B25111 [0,1,0,1,0,0|1,1,0]=4 813 B7R1.23 C1C(C1(F)F)CO H32083 [0,1,0,1,0,0|2,0,0]=4 814 B7R1.29 C1CC1(CO)CO H56083 [0,1,0,1,0,0|1,1,0]=4