0 B4R0.1 B(CC)(O)O TS56140 [0,0,0,0,0,0|1,0,1]=2 1 B4R0.1 BC(=O)OC TS05627 [0,0,0,0,0,0|2,0,0]=2 2 B4R0.1 C#CC(=O)N TS00217 [0,0,0,0,0,0|1,0,2]=3 3 B4R0.1 C#CC(=O)O TS59821 [0,0,0,0,0,0|0,0,2]=2 4 B4R0.1 C(=C(Br)Br)Br TS68889 [0,0,0,0,0,0|3,0,1]=4 5 B4R0.1 C(=C(Cl)Cl)Cl TS36633 [0,0,0,0,0,0|3,0,1]=4 6 B4R0.1 C(=C(F)Cl)Cl TS32135 [0,0,0,0,0,0|3,0,1]=4 7 B4R0.1 C(=C(F)Cl)F TS31457 [0,0,0,0,0,0|3,0,1]=4 8 B4R0.1 C(=C(F)F)Br TS06811 [0,0,0,0,0,0|3,0,1]=4 9 B4R0.1 C(=C(F)F)Cl TS31458 [0,0,0,0,0,0|3,0,1]=4 10 B4R0.1 C(=C(F)F)F TS03455 [0,0,0,0,0,0|3,0,1]=4 11 B4R0.1 C(=N)(N)NN TS03398 [0,0,0,0,0,0|4,0,0]=4 12 B4R0.1 C(=N)(N)NN TS31864 [0,0,0,0,0,0|4,0,0]=4 13 B4R0.1 C(=N)(N)NN TS37080 [0,0,0,0,0,0|4,0,0]=4 14 B4R0.1 C(=N)(N)NO TS62538 [0,0,0,0,0,0|4,0,0]=4 15 B4R0.1 C(=NO)(Br)Br TS46755 [0,0,0,0,0,0|4,0,0]=4 16 B4R0.1 C(=O)(N)NN TS00261 [0,0,0,0,0,0|3,0,0]=3 17 B4R0.1 C(=O)(N)NN TS71629 [0,0,0,0,0,0|3,0,0]=3 18 B4R0.1 C(=O)(N)NO TS71637 [0,0,0,0,0,0|3,0,0]=3 19 B4R0.1 C(=O)(SCl)Cl TS05628 [0,0,0,0,0,0|3,0,0]=3 20 B4R0.1 C(=O)C(=O)O TS39873 [0,0,0,0,0,0|1,0,1]=2 21 B4R0.1 C(=S)(N)NN TS03644 [0,0,0,0,0,0|3,1,0]=4 22 B4R0.1 C(=S)(N)NN TS05292 [0,0,0,0,0,0|3,1,0]=4 23 B4R0.1 C(=[Se])(N)NN TS37152 [0,0,0,0,0,0|3,1,0]=4 24 B4R0.1 C(C(=N)N)Cl TS36385 [0,0,0,0,0,0|3,0,0]=3 25 B4R0.1 C(C(=N)N)N TS56589 [0,0,0,0,0,0|3,0,0]=3 26 B4R0.1 C(C(=O)Br)Br TS65193 [0,0,0,0,0,0|2,0,0]=2 27 B4R0.1 C(C(=O)Cl)Br TS41828 [0,0,0,0,0,0|2,0,0]=2 28 B4R0.1 C(C(=O)Cl)Cl TS31992 [0,0,0,0,0,0|2,0,0]=2 29 B4R0.1 C(C(=O)Cl)F TS64901 [0,0,0,0,0,0|2,0,0]=2 30 B4R0.1 C(C(=O)Cl)I TS38699 [0,0,0,0,0,0|2,0,0]=2 31 B4R0.1 C(C(=O)F)Cl TS03738 [0,0,0,0,0,0|2,0,0]=2 32 B4R0.1 C(C(=O)F)F TS71660 [0,0,0,0,0,0|2,0,0]=2 33 B4R0.1 C(C(=O)N)Br TS55147 [0,0,0,0,0,0|2,0,0]=2 34 B4R0.1 C(C(=O)N)Cl TS71884 [0,0,0,0,0,0|2,0,0]=2 35 B4R0.1 C(C(=O)N)F TS03417 [0,0,0,0,0,0|2,0,0]=2 36 B4R0.1 C(C(=O)N)I TS39674 [0,0,0,0,0,0|2,0,0]=2 37 B4R0.1 C(C(=O)N)N TS36806 [0,0,0,0,0,0|2,0,0]=2 38 B4R0.1 C(C(=O)N)N TS39640 [0,0,0,0,0,0|2,0,0]=2 39 B4R0.1 C(C(=O)N)O TS71626 [0,0,0,0,0,0|2,0,0]=2 40 B4R0.1 C(C(=O)N)S TS03643 [0,0,0,0,0,0|2,0,0]=2 41 B4R0.1 C(C(=O)O)Br TS06335 [0,0,0,0,0,0|1,0,0]=1 42 B4R0.1 C(C(=O)O)Br TS37324 [0,0,0,0,0,0|1,0,0]=1 43 B4R0.1 C(C(=O)O)Br TS37325 [0,0,0,0,0,0|1,0,0]=1 44 B4R0.1 C(C(=O)O)Br TS37462 [0,0,0,0,0,0|1,0,0]=1 45 B4R0.1 C(C(=O)O)Cl TS03683 [0,0,0,0,0,0|1,0,0]=1 46 B4R0.1 C(C(=O)O)F TS03424 [0,0,0,0,0,0|1,0,0]=1 47 B4R0.1 C(C(=O)O)I TS48817 [0,0,0,0,0,0|1,0,0]=1 48 B4R0.1 C(C(=O)O)N TS31897 [0,0,0,0,0,0|1,0,0]=1 49 B4R0.1 C(C(=O)O)N TS62535 [0,0,0,0,0,0|1,0,0]=1 50 B4R0.1 C(C(=O)O)O TS71635 [0,0,0,0,0,0|1,0,0]=1 51 B4R0.1 C(C(=O)O)S TS03656 [0,0,0,0,0,0|1,0,0]=1 52 B4R0.1 C(C(=O)[O-])Cl TS04648 [0,0,0,0,0,0|1,0,1]=2 53 B4R0.1 C(C(=O)[O-])F TS03691 [0,0,0,0,0,0|1,0,1]=2 54 B4R0.1 C(C(=O)[O-])F TS15406 [0,0,0,0,0,0|1,0,1]=2 55 B4R0.1 C(C(=O)[O-])F TS31484 [0,0,0,0,0,0|1,0,1]=2 56 B4R0.1 C(C(=O)[O-])I TS01955 [0,0,0,0,0,0|1,0,1]=2 57 B4R0.1 C(C(=O)[O-])I TS17396 [0,0,0,0,0,0|1,0,1]=2 58 B4R0.1 C(C(=O)[O-])N TS03744 [0,0,0,0,0,0|1,0,1]=2 59 B4R0.1 C(C(=O)[O-])N TS05962 [0,0,0,0,0,0|1,0,1]=2 60 B4R0.1 C(C(=O)[O-])N TS13250 [0,0,0,0,0,0|1,0,1]=2 61 B4R0.1 C(C(=O)[O-])N TS21558 [0,0,0,0,0,0|1,0,1]=2 62 B4R0.1 C(C(=O)[O-])N TS38376 [0,0,0,0,0,0|1,0,1]=2 63 B4R0.1 C(C(=O)[O-])N TS50709 [0,0,0,0,0,0|1,0,1]=2 64 B4R0.1 C(C(=O)[O-])N TS93263 [0,0,0,0,0,0|1,0,1]=2 65 B4R0.1 C(C(=O)[O-])N TS93300 [0,0,0,0,0,0|1,0,1]=2 66 B4R0.1 C(C(=O)[O-])O TS03750 [0,0,0,0,0,0|1,0,1]=2 67 B4R0.1 C(C(=O)[O-])S TS31805 [0,0,0,0,0,0|1,0,1]=2 68 B4R0.1 C(C(=O)[O-])S TS32044 [0,0,0,0,0,0|1,0,1]=2 69 B4R0.1 C(C(=O)[O-])S TS36493 [0,0,0,0,0,0|1,0,1]=2 70 B4R0.1 C(C(Br)Br)Br TS73580 [0,0,0,0,0,0|3,0,1]=4 71 B4R0.1 C(C(Cl)Cl)Cl TS36793 [0,0,0,0,0,0|3,0,1]=4 72 B4R0.1 C(C(Cl)Cl)O TS32138 [0,0,0,0,0,0|3,0,1]=4 73 B4R0.1 C(C(F)Br)Br TS38905 [0,0,0,0,0,0|3,0,1]=4 74 B4R0.1 C(C(F)Br)O TS06812 [0,0,0,0,0,0|3,0,1]=4 75 B4R0.1 C(C(F)Cl)Cl TS32265 [0,0,0,0,0,0|3,0,1]=4 76 B4R0.1 C(C(F)Cl)F TS03893 [0,0,0,0,0,0|3,0,1]=4 77 B4R0.1 C(C(F)F)Br TS59947 [0,0,0,0,0,0|3,0,1]=4 78 B4R0.1 C(C(F)F)Cl TS03892 [0,0,0,0,0,0|3,0,1]=4 79 B4R0.1 C(C(F)F)F TS03474 [0,0,0,0,0,0|3,0,1]=4 80 B4R0.1 C(C(F)F)I TS17398 [0,0,0,0,0,0|3,0,1]=4 81 B4R0.1 C(C(F)F)N TS32308 [0,0,0,0,0,0|3,0,1]=4 82 B4R0.1 C(C(F)F)N TS71678 [0,0,0,0,0,0|3,0,1]=4 83 B4R0.1 C(C(F)F)O TS34629 [0,0,0,0,0,0|3,0,1]=4 84 B4R0.1 C([N+](=O)[O-])Br TS37323 [0,0,0,0,0,0|2,0,1]=3 85 B4R0.1 C=C(C#N)Br TS05686 [0,0,0,0,0,0|3,0,1]=4 86 B4R0.1 C=C(C#N)Cl TS00072 [0,0,0,0,0,0|3,0,1]=4 87 B4R0.1 C=C(C=O)Br TS36903 [0,0,0,0,0,0|3,0,1]=4 88 B4R0.1 C=C(CBr)Br TS37831 [0,0,0,0,0,0|3,0,0]=3 89 B4R0.1 C=C(CCl)Br TS41550 [0,0,0,0,0,0|3,0,0]=3 90 B4R0.1 C=C(CCl)Cl TS04228 [0,0,0,0,0,0|3,0,0]=3 91 B4R0.1 C=C(CCl)F TS03685 [0,0,0,0,0,0|3,0,0]=3 92 B4R0.1 C=C(CO)Br TS06156 [0,0,0,0,0,0|3,0,0]=3 93 B4R0.1 C=C(CO)Cl TS00065 [0,0,0,0,0,0|3,0,0]=3 94 B4R0.1 C=CC(=C)Cl TS71819 [0,0,0,0,0,0|2,0,2]=4 95 B4R0.1 C=CC(=O)Cl TS33217 [0,0,0,0,0,0|1,0,2]=3 96 B4R0.1 C=CC(=O)N TS45022 [0,0,0,0,0,0|1,0,2]=3 97 B4R0.1 C=CC(=O)O TS71594 [0,0,0,0,0,0|0,0,2]=2 98 B4R0.1 C=CC(=O)[O-] TS03423 [0,0,0,0,0,0|0,0,3]=3 99 B4R0.1 C=CC(=O)[O-] TS10783 [0,0,0,0,0,0|0,0,3]=3 100 B4R0.1 C=CC(=O)[O-] TS14324 [0,0,0,0,0,0|0,0,3]=3 101 B4R0.1 C=CC(=O)[O-] TS38896 [0,0,0,0,0,0|0,0,3]=3 102 B4R0.1 C=CC(=O)[O-] TS43153 [0,0,0,0,0,0|0,0,3]=3 103 B4R0.1 C=CC(=O)[O-] TS43339 [0,0,0,0,0,0|0,0,3]=3 104 B4R0.1 C=CC(=O)[O-] TS57334 [0,0,0,0,0,0|0,0,3]=3 105 B4R0.1 C=CC(=O)[O-] TS71822 [0,0,0,0,0,0|0,0,3]=3 106 B4R0.1 C=CC(=O)[O-] TS80195 [0,0,0,0,0,0|0,0,3]=3 107 B4R0.1 C=C[N+](=O)[O-] TS03377 [0,0,0,0,0,0|1,0,3]=4 108 B4R0.1 CC(=C)C=C TS00101 [0,0,0,0,0,0|2,0,2]=4 109 B4R0.1 CC(=C)C=O TS71445 [0,0,0,0,0,0|3,0,1]=4 110 B4R0.1 CC(=C)CBr TS65907 [0,0,0,0,0,0|3,0,0]=3 111 B4R0.1 CC(=C)CCl TS00138 [0,0,0,0,0,0|3,0,0]=3 112 B4R0.1 CC(=C)CN TS02169 [0,0,0,0,0,0|3,0,0]=3 113 B4R0.1 CC(=C)CN TS04121 [0,0,0,0,0,0|3,0,0]=3 114 B4R0.1 CC(=C)CO TS00103 [0,0,0,0,0,0|3,0,0]=3 115 B4R0.1 CC(=C)CS TS71814 [0,0,0,0,0,0|3,0,0]=3 116 B4R0.1 CC(=C)OC TS00091 [0,0,0,0,0,0|3,0,0]=3 117 B4R0.1 CC(=C)[Mg]Br TS07128 [0,0,0,0,0,0|4,0,0]=4 118 B4R0.1 CC(=C=O)C TS16967 [0,0,0,0,0,0|3,0,1]=4 119 B4R0.1 CC(=CBr)Br TS37830 [0,0,0,0,0,0|3,0,1]=4 120 B4R0.1 CC(=CBr)C TS36907 [0,0,0,0,0,0|3,0,1]=4 121 B4R0.1 CC(=CCl)Cl TS31870 [0,0,0,0,0,0|3,0,1]=4 122 B4R0.1 CC(=N)OC TS31813 [0,0,0,0,0,0|3,0,0]=3 123 B4R0.1 CC(=NN)C TS71612 [0,0,0,0,0,0|4,0,0]=4 124 B4R0.1 CC(=NO)C TS03378 [0,0,0,0,0,0|4,0,0]=4 125 B4R0.1 CC(=O)C#C TS00427 [0,0,0,0,0,0|1,0,2]=3 126 B4R0.1 CC(=O)C=C TS71414 [0,0,0,0,0,0|1,0,2]=3 127 B4R0.1 CC(=O)C=O TS71593 [0,0,0,0,0,0|2,0,1]=3 128 B4R0.1 CC(=O)CBr TS64992 [0,0,0,0,0,0|2,0,0]=2 129 B4R0.1 CC(=O)CCl TS71869 [0,0,0,0,0,0|2,0,0]=2 130 B4R0.1 CC(=O)CF TS71639 [0,0,0,0,0,0|2,0,0]=2 131 B4R0.1 CC(=O)CO TS39607 [0,0,0,0,0,0|2,0,0]=2 132 B4R0.1 CC(=O)NBr TS37149 [0,0,0,0,0,0|3,0,0]=3 133 B4R0.1 CC(=O)NC TS16313 [0,0,0,0,0,0|2,0,0]=2 134 B4R0.1 CC(=O)NN TS01339 [0,0,0,0,0,0|3,0,0]=3 135 B4R0.1 CC(=O)OC TS03390 [0,0,0,0,0,0|2,0,0]=2 136 B4R0.1 CC(=O)OO TS71636 [0,0,0,0,0,0|3,0,0]=3 137 B4R0.1 CC(=O)SC TS71852 [0,0,0,0,0,0|2,0,0]=2 138 B4R0.1 CC(=[N+]=[N-])C TS03273 [0,0,0,0,0,0|4,0,0]=4 139 B4R0.1 CC(C#C)O TS09825 [0,0,0,0,0,0|1,0,3]=4 140 B4R0.1 CC(C#N)O TS03374 [0,0,0,0,0,0|2,0,2]=4 141 B4R0.1 CC(C)CBr TS59896 [0,0,0,0,0,0|3,0,1]=4 142 B4R0.1 CC(C)CCl TS00045 [0,0,0,0,0,0|3,0,1]=4 143 B4R0.1 CC(C)CI TS48514 [0,0,0,0,0,0|3,0,1]=4 144 B4R0.1 CC(C)CN TS01504 [0,0,0,0,0,0|3,0,1]=4 145 B4R0.1 CC(C)CN TS04173 [0,0,0,0,0,0|3,0,1]=4 146 B4R0.1 CC(C)CO TS03402 [0,0,0,0,0,0|3,0,1]=4 147 B4R0.1 CC(C)CS TS02444 [0,0,0,0,0,0|3,0,1]=4 148 B4R0.1 CC(C)C[Al+2] TS10535 [0,0,0,0,0,0|3,0,1]=4 149 B4R0.1 CC(C)C[Zn+] TS19475 [0,0,0,0,0,0|3,0,1]=4 150 B4R0.1 CC(C)NC TS56405 [0,0,0,0,0,0|3,0,1]=4 151 B4R0.1 CC(C)SC TS71855 [0,0,0,0,0,0|3,0,1]=4 152 B4R0.1 CC(C=C)O TS71610 [0,0,0,0,0,0|1,0,3]=4 153 B4R0.1 CC(CBr)Cl TS41830 [0,0,0,0,0,0|3,0,1]=4 154 B4R0.1 CC(CBr)O TS06336 [0,0,0,0,0,0|2,0,1]=3 155 B4R0.1 CC(CCl)Cl TS31995 [0,0,0,0,0,0|3,0,1]=4 156 B4R0.1 CC(CCl)O TS03686 [0,0,0,0,0,0|2,0,1]=3 157 B4R0.1 CC(CF)O TS03431 [0,0,0,0,0,0|2,0,1]=3 158 B4R0.1 CC(CN)N TS16685 [0,0,0,0,0,0|3,0,1]=4 159 B4R0.1 CC(CN)O TS71630 [0,0,0,0,0,0|2,0,1]=3 160 B4R0.1 CC(CO)F TS03432 [0,0,0,0,0,0|3,0,1]=4 161 B4R0.1 CC(CO)N TS04255 [0,0,0,0,0,0|3,0,1]=4 162 B4R0.1 CC(CO)O TS22730 [0,0,0,0,0,0|2,0,1]=3 163 B4R0.1 CC(CS)O TS71863 [0,0,0,0,0,0|2,0,1]=3 164 B4R0.1 CC(CS)S TS04156 [0,0,0,0,0,0|2,1,1]=4 165 B4R0.1 CC(C[NH3+])O TS45584 [0,0,0,0,0,0|2,0,1]=3 166 B4R0.1 CC(S)SC TS04152 [0,0,0,0,0,0|2,1,1]=4 167 B4R0.1 CC=C(Br)Br TS37832 [0,0,0,0,0,0|2,0,1]=3 168 B4R0.1 CC=C(C)Br TS36906 [0,0,0,0,0,0|2,0,1]=3 169 B4R0.1 CC=C(C)C TS03364 [0,0,0,0,0,0|2,0,1]=3 170 B4R0.1 CC=C(Cl)Br TS41551 [0,0,0,0,0,0|2,0,1]=3 171 B4R0.1 CCC(=C)Br TS36908 [0,0,0,0,0,0|2,0,0]=2 172 B4R0.1 CCC(=C)C TS03363 [0,0,0,0,0,0|2,0,0]=2 173 B4R0.1 CCC(=C)Cl TS03633 [0,0,0,0,0,0|2,0,0]=2 174 B4R0.1 CCC(=N)N TS01647 [0,0,0,0,0,0|2,0,0]=2 175 B4R0.1 CCC(=O)Br TS06155 [0,0,0,0,0,0|1,0,0]=1 176 B4R0.1 CCC(=O)C TS71608 [0,0,0,0,0,0|1,0,0]=1 177 B4R0.1 CCC(=O)Cl TS71868 [0,0,0,0,0,0|1,0,0]=1 178 B4R0.1 CCC(=O)F TS71638 [0,0,0,0,0,0|1,0,0]=1 179 B4R0.1 CCC(=O)N TS59820 [0,0,0,0,0,0|1,0,0]=1 180 B4R0.1 CCC(=O)O TS03391 [0,0,0,0,0,0|0,0,0]=0 181 B4R0.1 CCC(=O)[O-] TS03709 [0,0,0,0,0,0|0,0,1]=1 182 B4R0.1 CCC(=O)[O-] TS04307 [0,0,0,0,0,0|0,0,1]=1 183 B4R0.1 CCC(=O)[O-] TS21191 [0,0,0,0,0,0|0,0,1]=1 184 B4R0.1 CCC(=O)[O-] TS28396 [0,0,0,0,0,0|0,0,1]=1 185 B4R0.1 CCC(=O)[O-] TS29272 [0,0,0,0,0,0|0,0,1]=1 186 B4R0.1 CCC(=O)[O-] TS38909 [0,0,0,0,0,0|0,0,1]=1 187 B4R0.1 CCC(=O)[O-] TS48904 [0,0,0,0,0,0|0,0,1]=1 188 B4R0.1 CCC(=O)[O-] TS53540 [0,0,0,0,0,0|0,0,1]=1 189 B4R0.1 CCC(=S)N TS03610 [0,0,0,0,0,0|1,1,0]=2 190 B4R0.1 CCC(=S)O TS71850 [0,0,0,0,0,0|0,1,0]=1 191 B4R0.1 CCC(C)Br TS39654 [0,0,0,0,0,0|2,0,1]=3 192 B4R0.1 CCC(C)Cl TS71870 [0,0,0,0,0,0|2,0,1]=3 193 B4R0.1 CCC(C)I TS93849 [0,0,0,0,0,0|2,0,1]=3 194 B4R0.1 CCC(C)N TS03382 [0,0,0,0,0,0|2,0,1]=3 195 B4R0.1 CCC(C)O TS03403 [0,0,0,0,0,0|1,0,1]=2 196 B4R0.1 CCC(C)S TS71856 [0,0,0,0,0,0|1,1,1]=3 197 B4R0.1 CCC(C)[Zn+] TS19473 [0,0,0,0,0,0|2,0,1]=3 198 B4R0.1 CCN(C)C TS03385 [0,0,0,0,0,0|3,0,0]=3 199 B4R0.1 CCP(Cl)Cl TS36582 [0,0,0,0,0,0|3,0,0]=3 200 B4R0.1 CCS(=O)[O-] TS93504 [0,0,0,0,0,0|1,0,1]=2 201 B4R0.1 CC[C@@H](C)N TS04171 [0,0,0,0,0,0|2,0,1]=3 202 B4R0.1 CC[C@@H](C)O TS03406 [0,0,0,0,0,0|1,0,1]=2 203 B4R0.1 CC[C@H](C)O TS03405 [0,0,0,0,0,0|1,0,1]=2 204 B4R0.1 CC[N+](=O)[O-] TS56409 [0,0,0,0,0,0|1,0,1]=2 205 B4R0.1 CC[SiH](C)C TS71815 [0,0,0,0,0,0|2,1,0]=3 206 B4R0.1 CC[SiH](Cl)Cl TS36387 [0,0,0,0,0,0|2,1,0]=3 207 B4R0.1 CNC(=N)N TS04168 [0,0,0,0,0,0|3,0,0]=3 208 B4R0.1 CNC(=N)N TS27169 [0,0,0,0,0,0|3,0,0]=3 209 B4R0.1 CNC(=O)Cl TS71883 [0,0,0,0,0,0|2,0,0]=2 210 B4R0.1 CNC(=O)N TS03394 [0,0,0,0,0,0|2,0,0]=2 211 B4R0.1 CNC(=S)N TS01609 [0,0,0,0,0,0|2,1,0]=3 212 B4R0.1 CNC(=S)[S-] TS07130 [0,0,0,0,0,0|1,2,0]=3 213 B4R0.1 CNN(C)C TS01930 [0,0,0,0,0,0|4,0,0]=4 214 B4R0.1 COC(=N)N TS01617 [0,0,0,0,0,0|3,0,0]=3 215 B4R0.1 COC(=N)N TS03396 [0,0,0,0,0,0|3,0,0]=3 216 B4R0.1 COC(=N)N TS13125 [0,0,0,0,0,0|3,0,0]=3 217 B4R0.1 COC(=N)N TS31863 [0,0,0,0,0,0|3,0,0]=3 218 B4R0.1 COC(=O)Cl TS03684 [0,0,0,0,0,0|2,0,0]=2 219 B4R0.1 COC(=O)N TS71628 [0,0,0,0,0,0|2,0,0]=2 220 B4R0.1 COC(=O)[O-] TS36560 [0,0,0,0,0,0|1,0,1]=2 221 B4R0.1 COC(Cl)Cl TS32137 [0,0,0,0,0,0|3,0,1]=4 222 B4R0.1 COP(Cl)Cl TS05797 [0,0,0,0,0,0|4,0,0]=4 223 B4R0.1 CO[N+](=O)[O-] TS03416 [0,0,0,0,0,0|2,0,1]=3 224 B4R0.1 CO[SiH](C)C TS03629 [0,0,0,0,0,0|3,1,0]=4 225 B4R0.1 CSC(=N)N TS01109 [0,0,0,0,0,0|3,0,0]=3 226 B4R0.1 CSC(=N)N TS49354 [0,0,0,0,0,0|3,0,0]=3 227 B4R0.1 CSC(=O)Cl TS31865 [0,0,0,0,0,0|2,0,0]=2 228 B4R0.1 C[C@@H](C#C)O TS09824 [0,0,0,0,0,0|1,0,3]=4 229 B4R0.1 C[C@@H](CCl)O TS08924 [0,0,0,0,0,0|2,0,1]=3 230 B4R0.1 C[C@@H](CN)N TS45459 [0,0,0,0,0,0|3,0,1]=4 231 B4R0.1 C[C@@H](CN)N TS59565 [0,0,0,0,0,0|3,0,1]=4 232 B4R0.1 C[C@@H](CN)O TS71634 [0,0,0,0,0,0|2,0,1]=3 233 B4R0.1 C[C@@H](CO)Cl TS31359 [0,0,0,0,0,0|3,0,1]=4 234 B4R0.1 C[C@@H](CO)N TS55878 [0,0,0,0,0,0|3,0,1]=4 235 B4R0.1 C[C@@H](CO)O TS46640 [0,0,0,0,0,0|2,0,1]=3 236 B4R0.1 C[C@H](C#C)O TS01975 [0,0,0,0,0,0|1,0,3]=4 237 B4R0.1 C[C@H](CCl)O TS46601 [0,0,0,0,0,0|2,0,1]=3 238 B4R0.1 C[C@H](CN)N TS31866 [0,0,0,0,0,0|3,0,1]=4 239 B4R0.1 C[C@H](CN)N TS45458 [0,0,0,0,0,0|3,0,1]=4 240 B4R0.1 C[C@H](CN)O TS71631 [0,0,0,0,0,0|2,0,1]=3 241 B4R0.1 C[C@H](CO)Cl TS03688 [0,0,0,0,0,0|3,0,1]=4 242 B4R0.1 C[C@H](CO)N TS01415 [0,0,0,0,0,0|3,0,1]=4 243 B4R0.1 C[C@H](CO)O TS59482 [0,0,0,0,0,0|2,0,1]=3 244 B4R0.1 C[SiH](C)CCl TS04166 [0,0,0,0,0,0|3,1,0]=4 245 B4R0.1 [2H]C(=O)O[2H] TS65557 [0,0,0,0,0,0|3,0,0]=3 246 B3R0.1 C#CC=O TS65569 [1,0,0,0,0,0|0,0,2]=3 247 B3R0.1 C#CCBr TS01645 [1,0,0,0,0,0|2,0,1]=4 248 B3R0.1 C#CCCl TS71622 [1,0,0,0,0,0|2,0,1]=4 249 B3R0.1 C#CCN TS03647 [1,0,0,0,0,0|2,0,1]=4 250 B3R0.1 C#CCN TS07975 [1,0,0,0,0,0|2,0,1]=4 251 B3R0.1 C#CCO TS02404 [1,0,0,0,0,0|0,0,3]=4 252 B3R0.1 C(=CBr)Br TS48814 [1,0,0,0,0,0|2,0,1]=4 253 B3R0.1 C(=CBr)F TS36038 [1,0,0,0,0,0|2,0,1]=4 254 B3R0.1 C(=CCl)Cl TS03742 [1,0,0,0,0,0|2,0,1]=4 255 B3R0.1 C(=CCl)F TS71673 [1,0,0,0,0,0|2,0,1]=4 256 B3R0.1 C(=CF)F TS65848 [1,0,0,0,0,0|2,0,1]=4 257 B3R0.1 C(=CI)Br TS25313 [1,0,0,0,0,0|2,0,1]=4 258 B3R0.1 C(=NO)N TS65580 [1,0,0,0,0,0|2,0,1]=4 259 B3R0.1 C(=O)C=O TS02414 [1,0,0,0,0,0|1,0,1]=3 260 B3R0.1 C(=O)C=O TS73473 [1,0,0,0,0,0|1,0,1]=3 261 B3R0.1 C(=O)NN TS02435 [1,0,0,0,0,0|2,0,0]=3 262 B3R0.1 C(=O)OO TS65600 [1,0,0,0,0,0|2,0,0]=3 263 B3R0.1 C(C#N)Br TS16529 [1,0,0,0,0,0|2,0,1]=4 264 B3R0.1 C(C#N)Cl TS39828 [1,0,0,0,0,0|2,0,1]=4 265 B3R0.1 C(C#N)F TS65222 [1,0,0,0,0,0|2,0,1]=4 266 B3R0.1 C(C#N)N TS01341 [1,0,0,0,0,0|2,0,1]=4 267 B3R0.1 C(C#N)N TS01342 [1,0,0,0,0,0|2,0,1]=4 268 B3R0.1 C(C#N)O TS02412 [1,0,0,0,0,0|1,0,2]=4 269 B3R0.1 C(C=O)Cl TS15061 [1,0,0,0,0,0|1,0,0]=2 270 B3R0.1 C(C=O)Cl TS71651 [1,0,0,0,0,0|1,0,0]=2 271 B3R0.1 C(C=O)O TS02433 [1,0,0,0,0,0|1,0,0]=2 272 B3R0.1 C(CBr)Br TS59882 [1,0,0,0,0,0|2,0,1]=4 273 B3R0.1 C(CBr)Cl TS00022 [1,0,0,0,0,0|2,0,1]=4 274 B3R0.1 C(CBr)F TS46917 [1,0,0,0,0,0|2,0,1]=4 275 B3R0.1 C(CBr)N TS11328 [1,0,0,0,0,0|2,0,1]=4 276 B3R0.1 C(CBr)N TS55165 [1,0,0,0,0,0|2,0,1]=4 277 B3R0.1 C(CBr)O TS55163 [1,0,0,0,0,0|1,0,1]=3 278 B3R0.1 C(CCl)Cl TS31460 [1,0,0,0,0,0|2,0,1]=4 279 B3R0.1 C(CCl)F TS71692 [1,0,0,0,0,0|2,0,1]=4 280 B3R0.1 C(CCl)N TS55277 [1,0,0,0,0,0|2,0,1]=4 281 B3R0.1 C(CCl)O TS00074 [1,0,0,0,0,0|1,0,1]=3 282 B3R0.1 C(CCl)[SiH3] TS31360 [1,0,0,0,0,0|1,1,1]=4 283 B3R0.1 C(CF)F TS02711 [1,0,0,0,0,0|2,0,1]=4 284 B3R0.1 C(CF)N TS31476 [1,0,0,0,0,0|2,0,1]=4 285 B3R0.1 C(CF)O TS01026 [1,0,0,0,0,0|1,0,1]=3 286 B3R0.1 C(CI)Cl TS51200 [1,0,0,0,0,0|2,0,1]=4 287 B3R0.1 C(CI)F TS45712 [1,0,0,0,0,0|2,0,1]=4 288 B3R0.1 C(CI)I TS93956 [1,0,0,0,0,0|2,0,1]=4 289 B3R0.1 C(CI)O TS13090 [1,0,0,0,0,0|1,0,1]=3 290 B3R0.1 C(CN)N TS03440 [1,0,0,0,0,0|2,0,1]=4 291 B3R0.1 C(CN)N TS03650 [1,0,0,0,0,0|2,0,1]=4 292 B3R0.1 C(CN)N TS05804 [1,0,0,0,0,0|2,0,1]=4 293 B3R0.1 C(CN)N TS22305 [1,0,0,0,0,0|2,0,1]=4 294 B3R0.1 C(CN)N TS26096 [1,0,0,0,0,0|2,0,1]=4 295 B3R0.1 C(CN)N TS65589 [1,0,0,0,0,0|2,0,1]=4 296 B3R0.1 C(CN)N TS70395 [1,0,0,0,0,0|2,0,1]=4 297 B3R0.1 C(CN)N TS76811 [1,0,0,0,0,0|2,0,1]=4 298 B3R0.1 C(CN)N TS79362 [1,0,0,0,0,0|2,0,1]=4 299 B3R0.1 C(CN)[NH3+] TS03740 [1,0,0,0,0,0|2,0,1]=4 300 B3R0.1 C(CO)N TS08649 [1,0,0,0,0,0|1,0,1]=3 301 B3R0.1 C(CO)N TS31412 [1,0,0,0,0,0|1,0,1]=3 302 B3R0.1 C(CO)N TS31567 [1,0,0,0,0,0|1,0,1]=3 303 B3R0.1 C(CO)N TS93285 [1,0,0,0,0,0|1,0,1]=3 304 B3R0.1 C(CO)O TS02439 [1,0,0,0,0,0|1,0,1]=3 305 B3R0.1 C(CP)O TS03426 [1,0,0,0,0,0|1,0,1]=3 306 B3R0.1 C(CP)P TS03658 [1,0,0,0,0,0|2,0,1]=4 307 B3R0.1 C(CS)N TS03420 [1,0,0,0,0,0|1,1,1]=4 308 B3R0.1 C(CS)N TS39644 [1,0,0,0,0,0|1,1,1]=4 309 B3R0.1 C(CS)O TS71649 [1,0,0,0,0,0|1,0,1]=3 310 B3R0.1 C(CS)S TS74490 [1,0,0,0,0,0|1,1,1]=4 311 B3R0.1 C(C[O-])O TS70846 [1,0,0,0,0,0|1,0,1]=3 312 B3R0.1 C(C[SiH3])[SiH3] TS03631 [1,0,0,0,0,0|1,1,1]=4 313 B3R0.1 C=CC#C TS65565 [1,0,0,0,0,0|1,0,2]=4 314 B3R0.1 C=CC#N TS85293 [1,0,0,0,0,0|2,0,1]=4 315 B3R0.1 C=CC=C TS51732 [1,0,0,0,0,0|1,0,2]=4 316 B3R0.1 C=CC=C TS65573 [1,0,0,0,0,0|1,0,2]=4 317 B3R0.1 C=CC=O TS33215 [1,0,0,0,0,0|0,0,2]=3 318 B3R0.1 C=CCBr TS39710 [1,0,0,0,0,0|2,0,0]=3 319 B3R0.1 C=CCCl TS03413 [1,0,0,0,0,0|2,0,0]=3 320 B3R0.1 C=CCF TS65583 [1,0,0,0,0,0|2,0,0]=3 321 B3R0.1 C=CCI TS93895 [1,0,0,0,0,0|2,0,0]=3 322 B3R0.1 C=CCN TS01644 [1,0,0,0,0,0|2,0,0]=3 323 B3R0.1 C=CCO TS02418 [1,0,0,0,0,0|2,0,0]=3 324 B3R0.1 C=CCS TS71619 [1,0,0,0,0,0|2,0,0]=3 325 B3R0.1 C=C[Mg]Br TS39970 [1,0,0,0,0,0|3,0,0]=4 326 B3R0.1 C=C[Mg]Cl TS03549 [1,0,0,0,0,0|3,0,0]=4 327 B3R0.1 CC#CI TS12127 [1,0,0,0,0,0|1,0,2]=4 328 B3R0.1 CC=C=C TS65572 [1,0,0,0,0,0|1,0,2]=4 329 B3R0.1 CC=CBr TS00041 [1,0,0,0,0,0|1,0,1]=3 330 B3R0.1 CC=CCl TS03412 [1,0,0,0,0,0|1,0,1]=3 331 B3R0.1 CC=CCl TS03414 [1,0,0,0,0,0|1,0,1]=3 332 B3R0.1 CC=NO TS02427 [1,0,0,0,0,0|1,0,1]=3 333 B3R0.1 CCC#C TS65570 [1,0,0,0,0,0|1,0,1]=3 334 B3R0.1 CCC#N TS65577 [1,0,0,0,0,0|1,0,1]=3 335 B3R0.1 CCC=C TS02407 [1,0,0,0,0,0|1,0,0]=2 336 B3R0.1 CCC=O TS02416 [1,0,0,0,0,0|0,0,0]=1 337 B3R0.1 CCC=S TS71851 [1,0,0,0,0,0|0,1,0]=2 338 B3R0.1 CCCBr TS00040 [1,0,0,0,0,0|1,0,1]=3 339 B3R0.1 CCCCl TS71653 [1,0,0,0,0,0|1,0,1]=3 340 B3R0.1 CCCF TS65692 [1,0,0,0,0,0|1,0,1]=3 341 B3R0.1 CCCI TS45076 [1,0,0,0,0,0|1,0,1]=3 342 B3R0.1 CCCN TS02429 [1,0,0,0,0,0|1,0,1]=3 343 B3R0.1 CCCN TS03705 [1,0,0,0,0,0|1,0,1]=3 344 B3R0.1 CCCS TS03410 [1,0,0,0,0,0|0,1,1]=3 345 B3R0.1 CCC[O-] TS03458 [1,0,0,0,0,0|0,0,2]=3 346 B3R0.1 CCC[O-] TS37676 [1,0,0,0,0,0|0,0,2]=3 347 B3R0.1 CCC[O-] TS56091 [1,0,0,0,0,0|0,0,2]=3 348 B3R0.1 CCC[S-] TS03782 [1,0,0,0,0,0|0,1,1]=3 349 B3R0.1 CCNC TS03706 [1,0,0,0,0,0|2,0,0]=3 350 B3R0.1 CCNC TS16623 [1,0,0,0,0,0|2,0,0]=3 351 B3R0.1 CCNO TS64941 [1,0,0,0,0,0|1,0,0]=2 352 B3R0.1 CCOC TS65588 [1,0,0,0,0,0|2,0,0]=3 353 B3R0.1 CCON TS31411 [1,0,0,0,0,0|2,0,0]=3 354 B3R0.1 CCSC TS71648 [1,0,0,0,0,0|2,0,0]=3 355 B3R0.1 CC[Hg]Cl TS30124 [1,0,0,0,0,0|2,0,0]=3 356 B3R0.1 CC[Mg]Br TS36790 [1,0,0,0,0,0|2,0,0]=3 357 B3R0.1 CC[Mg]I TS93021 [1,0,0,0,0,0|2,0,0]=3 358 B3R0.1 CN=C=S TS56323 [1,0,0,0,0,0|1,1,1]=4 359 B3R0.1 CNC=O TS39915 [1,0,0,0,0,0|1,0,0]=2 360 B3R0.1 CNNC TS05803 [1,0,0,0,0,0|3,0,0]=4 361 B3R0.1 CNNC TS65590 [1,0,0,0,0,0|3,0,0]=4 362 B3R0.1 CNOC TS01578 [1,0,0,0,0,0|3,0,0]=4 363 B3R0.1 COC=C TS02419 [1,0,0,0,0,0|2,0,0]=3 364 B3R0.1 COC=O TS02434 [1,0,0,0,0,0|1,0,0]=2 365 B3R0.1 COCBr TS36040 [1,0,0,0,0,0|2,0,1]=4 366 B3R0.1 COCCl TS56228 [1,0,0,0,0,0|2,0,1]=4 367 B3R0.1 COCI TS13091 [1,0,0,0,0,0|2,0,1]=4 368 B3R0.1 CSC#N TS03380 [1,0,0,0,0,0|2,0,1]=4 369 B3R0.1 CSSC TS34583 [1,0,0,0,0,0|3,0,0]=4 370 B3R0.1 C[Se][Se]C TS15888 [1,0,0,0,0,0|3,0,0]=4 371 B3R0.1 C[SiH2]C[SiH3] TS03630 [1,0,0,0,0,0|1,1,1]=4 372 B3R0.1 [Li]C#CC TS65548 [1,0,0,0,0,0|1,0,2]=4 373 B3R0.2 B(C)(C)C TS02403 [1,0,0,0,0,0|3,0,0]=4 374 B3R0.2 B(C)(O)O TS56314 [1,0,0,0,0,0|1,0,1]=3 375 B3R0.2 B(O)(O)O TS65597 [1,0,0,0,0,0|2,0,1]=4 376 B3R0.2 BC(=O)O TS31626 [1,0,0,0,0,0|1,0,0]=2 377 B3R0.2 BC(=O)O TS71624 [1,0,0,0,0,0|1,0,0]=2 378 B3R0.2 C(=N)(N)Cl TS59752 [1,0,0,0,0,0|3,0,0]=4 379 B3R0.2 C(=N)(N)N TS03704 [1,0,0,0,0,0|3,0,0]=4 380 B3R0.2 C(=N)(N)N TS04734 [1,0,0,0,0,0|3,0,0]=4 381 B3R0.2 C(=N)(N)N TS04887 [1,0,0,0,0,0|3,0,0]=4 382 B3R0.2 C(=N)(N)N TS09179 [1,0,0,0,0,0|3,0,0]=4 383 B3R0.2 C(=O)(Cl)Cl TS31459 [1,0,0,0,0,0|2,0,0]=3 384 B3R0.2 C(=O)(Cl)[Au+] TS68420 [1,0,0,0,0,0|2,0,0]=3 385 B3R0.2 C(=O)(F)Cl TS71691 [1,0,0,0,0,0|2,0,0]=3 386 B3R0.2 C(=O)(F)F TS02705 [1,0,0,0,0,0|2,0,0]=3 387 B3R0.2 C(=O)(N)N TS03623 [1,0,0,0,0,0|2,0,0]=3 388 B3R0.2 C(=O)(N)N TS07204 [1,0,0,0,0,0|2,0,0]=3 389 B3R0.2 C(=O)(N)N TS32547 [1,0,0,0,0,0|2,0,0]=3 390 B3R0.2 C(=O)(N)N TS39967 [1,0,0,0,0,0|2,0,0]=3 391 B3R0.2 C(=O)(N)N TS65581 [1,0,0,0,0,0|2,0,0]=3 392 B3R0.2 C(=O)(N)O TS66709 [1,0,0,0,0,0|1,0,0]=2 393 B3R0.2 C(=O)(N)[O-] TS03427 [1,0,0,0,0,0|1,0,1]=3 394 B3R0.2 C(=O)(O)[O-] TS03472 [1,0,0,0,0,0|1,0,0]=2 395 B3R0.2 C(=O)(O)[O-] TS31493 [1,0,0,0,0,0|1,0,0]=2 396 B3R0.2 C(=O)(O)[O-] TS64311 [1,0,0,0,0,0|1,0,0]=2 397 B3R0.2 C(=O)(O)[O-] TS71655 [1,0,0,0,0,0|1,0,0]=2 398 B3R0.2 C(=O)(O)[O-] TS73178 [1,0,0,0,0,0|1,0,0]=2 399 B3R0.2 C(=O)(O)[O-] TS93155 [1,0,0,0,0,0|1,0,0]=2 400 B3R0.2 C(=O)(O)[O-] TS93188 [1,0,0,0,0,0|1,0,0]=2 401 B3R0.2 C(=O)([O-])[O-] TS03387 [1,0,0,0,0,0|1,0,1]=3 402 B3R0.2 C(=O)([O-])[O-] TS03713 [1,0,0,0,0,0|1,0,1]=3 403 B3R0.2 C(=O)([O-])[O-] TS04776 [1,0,0,0,0,0|1,0,1]=3 404 B3R0.2 C(=O)([O-])[O-] TS04890 [1,0,0,0,0,0|1,0,1]=3 405 B3R0.2 C(=O)([O-])[O-] TS04999 [1,0,0,0,0,0|1,0,1]=3 406 B3R0.2 C(=O)([O-])[O-] TS06152 [1,0,0,0,0,0|1,0,1]=3 407 B3R0.2 C(=O)([O-])[O-] TS07394 [1,0,0,0,0,0|1,0,1]=3 408 B3R0.2 C(=O)([O-])[O-] TS10713 [1,0,0,0,0,0|1,0,1]=3 409 B3R0.2 C(=O)([O-])[O-] TS13249 [1,0,0,0,0,0|1,0,1]=3 410 B3R0.2 C(=O)([O-])[O-] TS31492 [1,0,0,0,0,0|1,0,1]=3 411 B3R0.2 C(=O)([O-])[O-] TS31721 [1,0,0,0,0,0|1,0,1]=3 412 B3R0.2 C(=O)([O-])[O-] TS32136 [1,0,0,0,0,0|1,0,1]=3 413 B3R0.2 C(=O)([O-])[O-] TS34910 [1,0,0,0,0,0|1,0,1]=3 414 B3R0.2 C(=O)([O-])[O-] TS36076 [1,0,0,0,0,0|1,0,1]=3 415 B3R0.2 C(=O)([O-])[O-] TS37206 [1,0,0,0,0,0|1,0,1]=3 416 B3R0.2 C(=O)([O-])[O-] TS39946 [1,0,0,0,0,0|1,0,1]=3 417 B3R0.2 C(=O)([O-])[O-] TS40137 [1,0,0,0,0,0|1,0,1]=3 418 B3R0.2 C(=O)([O-])[O-] TS59750 [1,0,0,0,0,0|1,0,1]=3 419 B3R0.2 C(=O)([O-])[O-] TS66263 [1,0,0,0,0,0|1,0,1]=3 420 B3R0.2 C(=O)([O-])[O-] TS71725 [1,0,0,0,0,0|1,0,1]=3 421 B3R0.2 C(=O)([O-])[O-] TS72053 [1,0,0,0,0,0|1,0,1]=3 422 B3R0.2 C(=O)([O-])[O-] TS72210 [1,0,0,0,0,0|1,0,1]=3 423 B3R0.2 C(=O)([O-])[O-] TS72393 [1,0,0,0,0,0|1,0,1]=3 424 B3R0.2 C(=O)([O-])[O-] TS72461 [1,0,0,0,0,0|1,0,1]=3 425 B3R0.2 C(=O)([O-])[O-] TS72660 [1,0,0,0,0,0|1,0,1]=3 426 B3R0.2 C(=O)([O-])[O-] TS73030 [1,0,0,0,0,0|1,0,1]=3 427 B3R0.2 C(=O)([O-])[O-] TS73353 [1,0,0,0,0,0|1,0,1]=3 428 B3R0.2 C(=O)([O-])[O-] TS75534 [1,0,0,0,0,0|1,0,1]=3 429 B3R0.2 C(=O)([O-])[O-] TS83041 [1,0,0,0,0,0|1,0,1]=3 430 B3R0.2 C(=O)([O-])[O-] TS83243 [1,0,0,0,0,0|1,0,1]=3 431 B3R0.2 C(=O)([O-])[O-] TS83378 [1,0,0,0,0,0|1,0,1]=3 432 B3R0.2 C(=O)([O-])[O-] TS83401 [1,0,0,0,0,0|1,0,1]=3 433 B3R0.2 C(=O)([O-])[O-] TS83551 [1,0,0,0,0,0|1,0,1]=3 434 B3R0.2 C(=O)([O-])[O-] TS83636 [1,0,0,0,0,0|1,0,1]=3 435 B3R0.2 C(=O)([O-])[O-] TS84117 [1,0,0,0,0,0|1,0,1]=3 436 B3R0.2 C(=O)([O-])[O-] TS93144 [1,0,0,0,0,0|1,0,1]=3 437 B3R0.2 C(=O)([O-])[O-] TS93580 [1,0,0,0,0,0|1,0,1]=3 438 B3R0.2 C(=O)([O-])[O-] TS94687 [1,0,0,0,0,0|1,0,1]=3 439 B3R0.2 C(=O)([O-])[O-] TS94697 [1,0,0,0,0,0|1,0,1]=3 440 B3R0.2 C(=O)([O-])[O-] TS94719 [1,0,0,0,0,0|1,0,1]=3 441 B3R0.2 C(=O)([O-])[O-] TS94721 [1,0,0,0,0,0|1,0,1]=3 442 B3R0.2 C(=O)([O-])[O-] TS94747 [1,0,0,0,0,0|1,0,1]=3 443 B3R0.2 C(=S)(Cl)Cl TS00283 [1,0,0,0,0,0|2,1,0]=4 444 B3R0.2 C(=S)(N)N TS71645 [1,0,0,0,0,0|2,1,0]=4 445 B3R0.2 C(=S)(N)[O-] TS03674 [1,0,0,0,0,0|1,1,1]=4 446 B3R0.2 C(=[Se])(N)N TS32546 [1,0,0,0,0,0|2,1,0]=4 447 B3R0.2 C=C(Br)Br TS48813 [1,0,0,0,0,0|2,0,1]=4 448 B3R0.2 C=C(Cl)Cl TS03743 [1,0,0,0,0,0|2,0,1]=4 449 B3R0.2 C=C(F)Br TS36039 [1,0,0,0,0,0|2,0,1]=4 450 B3R0.2 C=C(F)Cl TS71674 [1,0,0,0,0,0|2,0,1]=4 451 B3R0.2 C=C(F)F TS02633 [1,0,0,0,0,0|2,0,1]=4 452 B3R0.2 CC(=C)Br TS04851 [1,0,0,0,0,0|2,0,0]=3 453 B3R0.2 CC(=C)C TS02408 [1,0,0,0,0,0|2,0,0]=3 454 B3R0.2 CC(=C)C TS12599 [1,0,0,0,0,0|2,0,0]=3 455 B3R0.2 CC(=C)F TS65582 [1,0,0,0,0,0|2,0,0]=3 456 B3R0.2 CC(=C)I TS43297 [1,0,0,0,0,0|2,0,0]=3 457 B3R0.2 CC(=N)N TS01338 [1,0,0,0,0,0|2,0,0]=3 458 B3R0.2 CC(=N)N TS32338 [1,0,0,0,0,0|2,0,0]=3 459 B3R0.2 CC(=O)Br TS32543 [1,0,0,0,0,0|1,0,0]=2 460 B3R0.2 CC(=O)C TS02420 [1,0,0,0,0,0|1,0,0]=2 461 B3R0.2 CC(=O)C TS42396 [1,0,0,0,0,0|1,0,0]=2 462 B3R0.2 CC(=O)Cl TS71652 [1,0,0,0,0,0|1,0,0]=2 463 B3R0.2 CC(=O)F TS65601 [1,0,0,0,0,0|1,0,0]=2 464 B3R0.2 CC(=O)I TS45073 [1,0,0,0,0,0|1,0,0]=2 465 B3R0.2 CC(=O)N TS02426 [1,0,0,0,0,0|1,0,0]=2 466 B3R0.2 CC(=O)O TS02283 [1,0,0,0,0,0|0,0,0]=1 467 B3R0.2 CC(=O)O TS02432 [1,0,0,0,0,0|0,0,0]=1 468 B3R0.2 CC(=O)O TS06643 [1,0,0,0,0,0|0,0,0]=1 469 B3R0.2 CC(=O)O TS08541 [1,0,0,0,0,0|0,0,0]=1 470 B3R0.2 CC(=O)O TS32397 [1,0,0,0,0,0|0,0,0]=1 471 B3R0.2 CC(=O)O TS65594 [1,0,0,0,0,0|0,0,0]=1 472 B3R0.2 CC(=O)[O-] TS00235 [1,0,0,0,0,0|0,0,1]=2 473 B3R0.2 CC(=O)[O-] TS01392 [1,0,0,0,0,0|0,0,1]=2 474 B3R0.2 CC(=O)[O-] TS03418 [1,0,0,0,0,0|0,0,1]=2 475 B3R0.2 CC(=O)[O-] TS03456 [1,0,0,0,0,0|0,0,1]=2 476 B3R0.2 CC(=O)[O-] TS04787 [1,0,0,0,0,0|0,0,1]=2 477 B3R0.2 CC(=O)[O-] TS04947 [1,0,0,0,0,0|0,0,1]=2 478 B3R0.2 CC(=O)[O-] TS06035 [1,0,0,0,0,0|0,0,1]=2 479 B3R0.2 CC(=O)[O-] TS13953 [1,0,0,0,0,0|0,0,1]=2 480 B3R0.2 CC(=O)[O-] TS18902 [1,0,0,0,0,0|0,0,1]=2 481 B3R0.2 CC(=O)[O-] TS26452 [1,0,0,0,0,0|0,0,1]=2 482 B3R0.2 CC(=O)[O-] TS27546 [1,0,0,0,0,0|0,0,1]=2 483 B3R0.2 CC(=O)[O-] TS29951 [1,0,0,0,0,0|0,0,1]=2 484 B3R0.2 CC(=O)[O-] TS38928 [1,0,0,0,0,0|0,0,1]=2 485 B3R0.2 CC(=O)[O-] TS41886 [1,0,0,0,0,0|0,0,1]=2 486 B3R0.2 CC(=O)[O-] TS43176 [1,0,0,0,0,0|0,0,1]=2 487 B3R0.2 CC(=O)[O-] TS45710 [1,0,0,0,0,0|0,0,1]=2 488 B3R0.2 CC(=O)[O-] TS49663 [1,0,0,0,0,0|0,0,1]=2 489 B3R0.2 CC(=O)[O-] TS55806 [1,0,0,0,0,0|0,0,1]=2 490 B3R0.2 CC(=O)[O-] TS58868 [1,0,0,0,0,0|0,0,1]=2 491 B3R0.2 CC(=O)[O-] TS59815 [1,0,0,0,0,0|0,0,1]=2 492 B3R0.2 CC(=O)[O-] TS62641 [1,0,0,0,0,0|0,0,1]=2 493 B3R0.2 CC(=O)[O-] TS62666 [1,0,0,0,0,0|0,0,1]=2 494 B3R0.2 CC(=O)[O-] TS63478 [1,0,0,0,0,0|0,0,1]=2 495 B3R0.2 CC(=O)[O-] TS64101 [1,0,0,0,0,0|0,0,1]=2 496 B3R0.2 CC(=O)[O-] TS65998 [1,0,0,0,0,0|0,0,1]=2 497 B3R0.2 CC(=O)[O-] TS69697 [1,0,0,0,0,0|0,0,1]=2 498 B3R0.2 CC(=O)[O-] TS69754 [1,0,0,0,0,0|0,0,1]=2 499 B3R0.2 CC(=O)[O-] TS69943 [1,0,0,0,0,0|0,0,1]=2 500 B3R0.2 CC(=O)[O-] TS72196 [1,0,0,0,0,0|0,0,1]=2 501 B3R0.2 CC(=O)[O-] TS73462 [1,0,0,0,0,0|0,0,1]=2 502 B3R0.2 CC(=O)[O-] TS73694 [1,0,0,0,0,0|0,0,1]=2 503 B3R0.2 CC(=O)[O-] TS76815 [1,0,0,0,0,0|0,0,1]=2 504 B3R0.2 CC(=O)[O-] TS77303 [1,0,0,0,0,0|0,0,1]=2 505 B3R0.2 CC(=O)[O-] TS78087 [1,0,0,0,0,0|0,0,1]=2 506 B3R0.2 CC(=O)[O-] TS78184 [1,0,0,0,0,0|0,0,1]=2 507 B3R0.2 CC(=O)[O-] TS78238 [1,0,0,0,0,0|0,0,1]=2 508 B3R0.2 CC(=O)[O-] TS78451 [1,0,0,0,0,0|0,0,1]=2 509 B3R0.2 CC(=O)[O-] TS78756 [1,0,0,0,0,0|0,0,1]=2 510 B3R0.2 CC(=O)[O-] TS78836 [1,0,0,0,0,0|0,0,1]=2 511 B3R0.2 CC(=O)[O-] TS79224 [1,0,0,0,0,0|0,0,1]=2 512 B3R0.2 CC(=O)[O-] TS79279 [1,0,0,0,0,0|0,0,1]=2 513 B3R0.2 CC(=O)[O-] TS79965 [1,0,0,0,0,0|0,0,1]=2 514 B3R0.2 CC(=O)[O-] TS80560 [1,0,0,0,0,0|0,0,1]=2 515 B3R0.2 CC(=O)[O-] TS81725 [1,0,0,0,0,0|0,0,1]=2 516 B3R0.2 CC(=O)[O-] TS82231 [1,0,0,0,0,0|0,0,1]=2 517 B3R0.2 CC(=O)[O-] TS93749 [1,0,0,0,0,0|0,0,1]=2 518 B3R0.2 CC(=O)[O-] TS94725 [1,0,0,0,0,0|0,0,1]=2 519 B3R0.2 CC(=O)[O-] TS94733 [1,0,0,0,0,0|0,0,1]=2 520 B3R0.2 CC(=S)N TS01726 [1,0,0,0,0,0|1,1,0]=3 521 B3R0.2 CC(=S)O TS71644 [1,0,0,0,0,0|0,1,0]=2 522 B3R0.2 CC(=S)[O-] TS00248 [1,0,0,0,0,0|0,1,1]=3 523 B3R0.2 CC(Br)Br TS15883 [1,0,0,0,0,0|2,0,1]=4 524 B3R0.2 CC(C)Br TS00860 [1,0,0,0,0,0|2,0,1]=4 525 B3R0.2 CC(C)C TS02421 [1,0,0,0,0,0|2,0,1]=4 526 B3R0.2 CC(C)Cl TS00076 [1,0,0,0,0,0|2,0,1]=4 527 B3R0.2 CC(C)F TS02440 [1,0,0,0,0,0|2,0,1]=4 528 B3R0.2 CC(C)N TS01924 [1,0,0,0,0,0|2,0,1]=4 529 B3R0.2 CC(C)O TS65587 [1,0,0,0,0,0|1,0,1]=3 530 B3R0.2 CC(C)S TS03409 [1,0,0,0,0,0|1,1,1]=4 531 B3R0.2 CC(C)[O-] TS00285 [1,0,0,0,0,0|1,0,2]=4 532 B3R0.2 CC(C)[O-] TS01956 [1,0,0,0,0,0|1,0,2]=4 533 B3R0.2 CC(C)[O-] TS03787 [1,0,0,0,0,0|1,0,2]=4 534 B3R0.2 CC(C)[O-] TS11045 [1,0,0,0,0,0|1,0,2]=4 535 B3R0.2 CC(C)[O-] TS24723 [1,0,0,0,0,0|1,0,2]=4 536 B3R0.2 CC(C)[O-] TS25988 [1,0,0,0,0,0|1,0,2]=4 537 B3R0.2 CC(C)[O-] TS29590 [1,0,0,0,0,0|1,0,2]=4 538 B3R0.2 CC(C)[O-] TS50088 [1,0,0,0,0,0|1,0,2]=4 539 B3R0.2 CC(C)[O-] TS56090 [1,0,0,0,0,0|1,0,2]=4 540 B3R0.2 CC(C)[O-] TS57337 [1,0,0,0,0,0|1,0,2]=4 541 B3R0.2 CC(C)[O-] TS60765 [1,0,0,0,0,0|1,0,2]=4 542 B3R0.2 CC(C)[O-] TS61265 [1,0,0,0,0,0|1,0,2]=4 543 B3R0.2 CC(C)[O-] TS61382 [1,0,0,0,0,0|1,0,2]=4 544 B3R0.2 CC(C)[O-] TS62375 [1,0,0,0,0,0|1,0,2]=4 545 B3R0.2 CC(C)[O-] TS63485 [1,0,0,0,0,0|1,0,2]=4 546 B3R0.2 CC(C)[O-] TS63487 [1,0,0,0,0,0|1,0,2]=4 547 B3R0.2 CC(C)[O-] TS63938 [1,0,0,0,0,0|1,0,2]=4 548 B3R0.2 CC(C)[O-] TS66142 [1,0,0,0,0,0|1,0,2]=4 549 B3R0.2 CC(C)[O-] TS67052 [1,0,0,0,0,0|1,0,2]=4 550 B3R0.2 CC(C)[O-] TS72330 [1,0,0,0,0,0|1,0,2]=4 551 B3R0.2 CC(C)[O-] TS77323 [1,0,0,0,0,0|1,0,2]=4 552 B3R0.2 CC(C)[O-] TS78714 [1,0,0,0,0,0|1,0,2]=4 553 B3R0.2 CC(C)[O-] TS79015 [1,0,0,0,0,0|1,0,2]=4 554 B3R0.2 CC(C)[O-] TS79109 [1,0,0,0,0,0|1,0,2]=4 555 B3R0.2 CC(C)[S-] TS03781 [1,0,0,0,0,0|1,1,1]=4 556 B3R0.2 CC(Cl)Br TS06900 [1,0,0,0,0,0|2,0,1]=4 557 B3R0.2 CC(Cl)Cl TS31461 [1,0,0,0,0,0|2,0,1]=4 558 B3R0.2 CC(F)Cl TS71693 [1,0,0,0,0,0|2,0,1]=4 559 B3R0.2 CC(F)F TS02706 [1,0,0,0,0,0|2,0,1]=4 560 B3R0.2 CN(C)C TS02428 [1,0,0,0,0,0|3,0,0]=4 561 B3R0.2 CN(C)C TS03598 [1,0,0,0,0,0|3,0,0]=4 562 B3R0.2 CN(C)C TS04077 [1,0,0,0,0,0|3,0,0]=4 563 B3R0.2 CN(C)C TS37301 [1,0,0,0,0,0|3,0,0]=4 564 B3R0.2 CN(C)N TS03741 [1,0,0,0,0,0|3,0,0]=4 565 B3R0.2 CN(C)N TS34594 [1,0,0,0,0,0|3,0,0]=4 566 B3R0.2 CN(C)O TS31413 [1,0,0,0,0,0|2,0,0]=3 567 B3R0.2 CP(C)C TS71641 [1,0,0,0,0,0|3,0,0]=4 568 B3R0.2 CP(C)C TS76280 [1,0,0,0,0,0|3,0,0]=4 569 B3R0.2 CP(C)Cl TS03739 [1,0,0,0,0,0|3,0,0]=4 570 B3R0.2 CP(Cl)Cl TS32263 [1,0,0,0,0,0|3,0,0]=4 571 B3R0.2 CS(=O)[O-] TS93511 [1,0,0,0,0,0|1,0,1]=3 572 B3R0.2 C[Al](C)C TS71595 [1,0,0,0,0,0|3,0,0]=4 573 B3R0.2 C[Al](Cl)Cl TS31991 [1,0,0,0,0,0|3,0,0]=4 574 B3R0.2 C[As](C)C TS32403 [1,0,0,0,0,0|3,0,0]=4 575 B3R0.2 C[As](C)I TS25149 [1,0,0,0,0,0|3,0,0]=4 576 B3R0.2 C[Bi](C)C TS28559 [1,0,0,0,0,0|3,0,0]=4 577 B3R0.2 C[Ga](C)C TS32132 [1,0,0,0,0,0|3,0,0]=4 578 B3R0.2 C[GeH](C)C TS04775 [1,0,0,0,0,0|2,1,0]=4 579 B3R0.2 C[In](C)C TS11202 [1,0,0,0,0,0|3,0,0]=4 580 B3R0.2 C[N+](=C)C TS15411 [1,0,0,0,0,0|3,0,0]=4 581 B3R0.2 C[N+](=O)[O-] TS65593 [1,0,0,0,0,0|1,0,1]=3 582 B3R0.2 C[S+](C)C TS10818 [1,0,0,0,0,0|3,0,0]=4 583 B3R0.2 C[S+](C)C TS59468 [1,0,0,0,0,0|3,0,0]=4 584 B3R0.2 C[Sb](C)C TS43174 [1,0,0,0,0,0|3,0,0]=4 585 B3R0.2 C[SiH](C)C TS71620 [1,0,0,0,0,0|2,1,0]=4 586 B3R0.2 C[SiH](C)Cl TS31361 [1,0,0,0,0,0|2,1,0]=4 587 B3R0.2 C[SiH](C)F TS71650 [1,0,0,0,0,0|2,1,0]=4 588 B3R0.2 C[SiH](F)F TS03465 [1,0,0,0,0,0|2,1,0]=4 589 B3R0.2 C[Sn+](C)C TS59840 [1,0,0,0,0,0|3,0,0]=4 590 B3R0.2 C[Sn](=O)C TS42834 [1,0,0,0,0,0|2,0,0]=3 591 B3R0.2 C[Sn](=S)C TS14707 [1,0,0,0,0,0|2,1,0]=4 592 B3R0.2 N(=O)(=O)O TS83741 [1,0,0,0,0,0|2,0,0]=3 593 B3R0.2 N(=O)(=O)[O-] TS25050 [1,0,0,0,0,0|2,0,1]=4 594 B3R0.2 N(=O)(=O)[O-] TS57626 [1,0,0,0,0,0|2,0,1]=4 595 B3R0.2 N(=O)(=O)[O-] TS62708 [1,0,0,0,0,0|2,0,1]=4 596 B3R0.2 N(=O)(=O)[O-] TS78838 [1,0,0,0,0,0|2,0,1]=4 597 B3R0.2 O=S(=O)=O TS71662 [1,0,0,0,0,0|2,0,1]=4 598 B3R0.2 O=S(Br)Br TS20466 [1,0,0,0,0,0|3,0,0]=4 599 B3R0.2 O=S(F)F TS03519 [1,0,0,0,0,0|3,0,0]=4 600 B3R0.2 O=[Cr](I)I TS75866 [1,0,0,0,0,0|3,0,0]=4 601 B3R0.2 O=[Hf](Cl)Cl TS81385 [1,0,0,0,0,0|3,0,0]=4 602 B3R0.2 O=[Mo](=O)=O TS40134 [1,0,0,0,0,0|2,0,1]=4 603 B3R0.2 O=[Re](=O)=O TS25525 [1,0,0,0,0,0|2,0,1]=4 604 B3R0.2 O=[W](=O)=O TS25144 [1,0,0,0,0,0|2,0,1]=4 605 B3R0.2 O=[W](=O)=O TS94759 [1,0,0,0,0,0|2,0,1]=4 606 B3R0.2 O=[Zr](Cl)Cl TS53606 [1,0,0,0,0,0|3,0,0]=4 607 B3R0.2 OI(=O)=O TS46027 [1,0,0,0,0,0|2,0,0]=3 608 B3R0.2 OI(=O)=O TS67492 [1,0,0,0,0,0|2,0,0]=3 609 B3R0.2 OP(O)O TS03454 [1,0,0,0,0,0|2,0,1]=4 610 B3R0.2 OP(O)[O-] TS85499 [1,0,0,0,0,0|2,0,1]=4 611 B3R0.2 OP([O-])[O-] TS44780 [1,0,0,0,0,0|2,0,1]=4 612 B3R0.2 OP([O-])[O-] TS84606 [1,0,0,0,0,0|2,0,1]=4 613 B3R0.2 OS(=O)O TS03459 [1,0,0,0,0,0|2,0,0]=3 614 B3R0.2 OS(=O)[O-] TS03814 [1,0,0,0,0,0|2,0,0]=3 615 B3R0.2 OS(=O)[O-] TS05867 [1,0,0,0,0,0|2,0,0]=3 616 B3R0.2 OS(=O)[O-] TS31655 [1,0,0,0,0,0|2,0,0]=3 617 B3R0.2 O[Se](=O)O TS36382 [1,0,0,0,0,0|2,0,0]=3 618 B3R0.2 O[V](=O)=O TS32266 [1,0,0,0,0,0|2,0,0]=3 619 B3R0.2 [2H]C(=O)[O-] TS03081 [1,0,0,0,0,0|1,0,1]=3 620 B3R0.2 [N+](=O)(O)[O-] TS03690 [1,0,0,0,0,0|2,0,0]=3 621 B3R0.2 [N+](=O)([O-])[O-] TS05802 [1,0,0,0,0,0|2,0,1]=4 622 B3R0.2 [N+](=O)([O-])[O-] TS17981 [1,0,0,0,0,0|2,0,1]=4 623 B3R0.2 [N+](=O)([O-])[O-] TS25850 [1,0,0,0,0,0|2,0,1]=4 624 B3R0.2 [N+](=O)([O-])[O-] TS27115 [1,0,0,0,0,0|2,0,1]=4 625 B3R0.2 [N+](=O)([O-])[O-] TS27850 [1,0,0,0,0,0|2,0,1]=4 626 B3R0.2 [N+](=O)([O-])[O-] TS28131 [1,0,0,0,0,0|2,0,1]=4 627 B3R0.2 [N+](=O)([O-])[O-] TS28966 [1,0,0,0,0,0|2,0,1]=4 628 B3R0.2 [N+](=O)([O-])[O-] TS30334 [1,0,0,0,0,0|2,0,1]=4 629 B3R0.2 [N+](=O)([O-])[O-] TS33654 [1,0,0,0,0,0|2,0,1]=4 630 B3R0.2 [N+](=O)([O-])[O-] TS35357 [1,0,0,0,0,0|2,0,1]=4 631 B3R0.2 [N+](=O)([O-])[O-] TS42675 [1,0,0,0,0,0|2,0,1]=4 632 B3R0.2 [N+](=O)([O-])[O-] TS44068 [1,0,0,0,0,0|2,0,1]=4 633 B3R0.2 [N+](=O)([O-])[O-] TS45068 [1,0,0,0,0,0|2,0,1]=4 634 B3R0.2 [N+](=O)([O-])[O-] TS55974 [1,0,0,0,0,0|2,0,1]=4 635 B3R0.2 [N+](=O)([O-])[O-] TS56869 [1,0,0,0,0,0|2,0,1]=4 636 B3R0.2 [N+](=O)([O-])[O-] TS63713 [1,0,0,0,0,0|2,0,1]=4 637 B3R0.2 [N+](=O)([O-])[O-] TS64467 [1,0,0,0,0,0|2,0,1]=4 638 B3R0.2 [N+](=O)([O-])[O-] TS64614 [1,0,0,0,0,0|2,0,1]=4 639 B3R0.2 [N+](=O)([O-])[O-] TS67796 [1,0,0,0,0,0|2,0,1]=4 640 B3R0.2 [N+](=O)([O-])[O-] TS69430 [1,0,0,0,0,0|2,0,1]=4 641 B3R0.2 [N+](=O)([O-])[O-] TS70285 [1,0,0,0,0,0|2,0,1]=4 642 B3R0.2 [N+](=O)([O-])[O-] TS71661 [1,0,0,0,0,0|2,0,1]=4 643 B3R0.2 [N+](=O)([O-])[O-] TS71727 [1,0,0,0,0,0|2,0,1]=4 644 B3R0.2 [N+](=O)([O-])[O-] TS71887 [1,0,0,0,0,0|2,0,1]=4 645 B3R0.2 [N+](=O)([O-])[O-] TS73543 [1,0,0,0,0,0|2,0,1]=4 646 B3R0.2 [N+](=O)([O-])[O-] TS74656 [1,0,0,0,0,0|2,0,1]=4 647 B3R0.2 [N+](=O)([O-])[O-] TS76278 [1,0,0,0,0,0|2,0,1]=4 648 B3R0.2 [N+](=O)([O-])[O-] TS81036 [1,0,0,0,0,0|2,0,1]=4 649 B3R0.2 [N+](=O)([O-])[O-] TS82020 [1,0,0,0,0,0|2,0,1]=4 650 B3R0.2 [N+](=O)([O-])[O-] TS82068 [1,0,0,0,0,0|2,0,1]=4 651 B3R0.2 [N+](=O)([O-])[O-] TS82255 [1,0,0,0,0,0|2,0,1]=4 652 B3R0.2 [N+](=O)([O-])[O-] TS82262 [1,0,0,0,0,0|2,0,1]=4 653 B3R0.2 [N+](=O)([O-])[O-] TS92976 [1,0,0,0,0,0|2,0,1]=4 654 B3R0.2 [N+](=O)([O-])[O-] TS93249 [1,0,0,0,0,0|2,0,1]=4 655 B3R0.2 [N+](=O)([O-])[O-] TS94095 [1,0,0,0,0,0|2,0,1]=4 656 B3R0.2 [N+](=O)([O-])[O-] TS94699 [1,0,0,0,0,0|2,0,1]=4 657 B3R0.2 [N+](=O)([O-])[O-] TS94720 [1,0,0,0,0,0|2,0,1]=4 658 B3R0.2 [N+](=O)([O-])[O-] TS94723 [1,0,0,0,0,0|2,0,1]=4 659 B3R0.2 [N+](=O)([O-])[O-] TS94728 [1,0,0,0,0,0|2,0,1]=4 660 B3R0.2 [O-]Br(=O)=O TS12328 [1,0,0,0,0,0|2,0,1]=4 661 B3R0.2 [O-]Br(=O)=O TS25807 [1,0,0,0,0,0|2,0,1]=4 662 B3R0.2 [O-]Br(=O)=O TS34168 [1,0,0,0,0,0|2,0,1]=4 663 B3R0.2 [O-]Br(=O)=O TS35841 [1,0,0,0,0,0|2,0,1]=4 664 B3R0.2 [O-]Br(=O)=O TS36896 [1,0,0,0,0,0|2,0,1]=4 665 B3R0.2 [O-]Br(=O)=O TS40956 [1,0,0,0,0,0|2,0,1]=4 666 B3R0.2 [O-]Cl(=O)=O TS04109 [1,0,0,0,0,0|2,0,1]=4 667 B3R0.2 [O-]Cl(=O)=O TS04938 [1,0,0,0,0,0|2,0,1]=4 668 B3R0.2 [O-]Cl(=O)=O TS17360 [1,0,0,0,0,0|2,0,1]=4 669 B3R0.2 [O-]Cl(=O)=O TS51291 [1,0,0,0,0,0|2,0,1]=4 670 B3R0.2 [O-]Cl(=O)=O TS53348 [1,0,0,0,0,0|2,0,1]=4 671 B3R0.2 [O-]I(=O)=O TS14859 [1,0,0,0,0,0|2,0,1]=4 672 B3R0.2 [O-]I(=O)=O TS17585 [1,0,0,0,0,0|2,0,1]=4 673 B3R0.2 [O-]I(=O)=O TS53932 [1,0,0,0,0,0|2,0,1]=4 674 B3R0.2 [O-]I(=O)=O TS54582 [1,0,0,0,0,0|2,0,1]=4 675 B3R0.2 [O-]I(=O)=O TS67490 [1,0,0,0,0,0|2,0,1]=4 676 B3R0.2 [O-]I(=O)=O TS70439 [1,0,0,0,0,0|2,0,1]=4 677 B3R0.2 [O-]I(=O)=O TS73235 [1,0,0,0,0,0|2,0,1]=4 678 B3R0.2 [O-]I(=O)=O TS75637 [1,0,0,0,0,0|2,0,1]=4 679 B3R0.2 [O-]I(=O)=O TS76222 [1,0,0,0,0,0|2,0,1]=4 680 B3R0.2 [O-]I(=O)=O TS82623 [1,0,0,0,0,0|2,0,1]=4 681 B3R0.2 [O-]I(=O)=O TS84607 [1,0,0,0,0,0|2,0,1]=4 682 B3R0.2 [O-]P(=O)=O TS04691 [1,0,0,0,0,0|2,0,1]=4 683 B3R0.2 [O-]P(=O)=O TS15749 [1,0,0,0,0,0|2,0,1]=4 684 B3R0.2 [O-]P(=O)=O TS18535 [1,0,0,0,0,0|2,0,1]=4 685 B3R0.2 [O-]P(=O)=O TS32399 [1,0,0,0,0,0|2,0,1]=4 686 B3R0.2 [O-]P(=O)=O TS84151 [1,0,0,0,0,0|2,0,1]=4 687 B3R0.2 [O-]P(=O)=O TS94731 [1,0,0,0,0,0|2,0,1]=4 688 B3R0.2 [O-]P(=O)=O TS94735 [1,0,0,0,0,0|2,0,1]=4 689 B3R0.2 [O-]S(=O)F TS32507 [1,0,0,0,0,0|2,0,1]=4 690 B3R0.2 [O-]S(=O)[O-] TS04049 [1,0,0,0,0,0|2,0,1]=4 691 B3R0.2 [O-]S(=O)[O-] TS04575 [1,0,0,0,0,0|2,0,1]=4 692 B3R0.2 [O-]S(=O)[O-] TS11046 [1,0,0,0,0,0|2,0,1]=4 693 B3R0.2 [O-]S(=O)[O-] TS28294 [1,0,0,0,0,0|2,0,1]=4 694 B3R0.2 [O-]S(=O)[O-] TS32421 [1,0,0,0,0,0|2,0,1]=4 695 B3R0.2 [O-]S(=O)[O-] TS36097 [1,0,0,0,0,0|2,0,1]=4 696 B3R0.2 [O-]S(=O)[O-] TS36905 [1,0,0,0,0,0|2,0,1]=4 697 B3R0.2 [O-]S(=O)[O-] TS43290 [1,0,0,0,0,0|2,0,1]=4 698 B3R0.2 [O-]S(=O)[O-] TS55019 [1,0,0,0,0,0|2,0,1]=4 699 B3R0.2 [O-][Mn](=O)[O-] TS04657 [1,0,0,0,0,0|2,0,1]=4 700 B3R0.2 [O-][Nb](=O)=O TS47816 [1,0,0,0,0,0|2,0,1]=4 701 B3R0.2 [O-][Se](=O)[O-] TS12336 [1,0,0,0,0,0|2,0,1]=4 702 B3R0.2 [O-][Se](=O)[O-] TS17561 [1,0,0,0,0,0|2,0,1]=4 703 B3R0.2 [O-][Se](=O)[O-] TS19931 [1,0,0,0,0,0|2,0,1]=4 704 B3R0.2 [O-][Se](=O)[O-] TS57275 [1,0,0,0,0,0|2,0,1]=4 705 B3R0.2 [O-][Se](=O)[O-] TS78106 [1,0,0,0,0,0|2,0,1]=4 706 B3R0.2 [O-][Si](=O)[O-] TS03612 [1,0,0,0,0,0|1,1,1]=4 707 B3R0.2 [O-][Si](=O)[O-] TS11780 [1,0,0,0,0,0|1,1,1]=4 708 B3R0.2 [O-][Si](=O)[O-] TS21260 [1,0,0,0,0,0|1,1,1]=4 709 B3R0.2 [O-][Si](=O)[O-] TS36911 [1,0,0,0,0,0|1,1,1]=4 710 B3R0.2 [O-][Si](=O)[O-] TS37526 [1,0,0,0,0,0|1,1,1]=4 711 B3R0.2 [O-][Si](=O)[O-] TS93244 [1,0,0,0,0,0|1,1,1]=4 712 B3R0.2 [O-][Sn](=O)[O-] TS17210 [1,0,0,0,0,0|2,0,1]=4 713 B3R0.2 [O-][Sn](=O)[O-] TS20298 [1,0,0,0,0,0|2,0,1]=4 714 B3R0.2 [O-][Sn](=O)[O-] TS21432 [1,0,0,0,0,0|2,0,1]=4 715 B3R0.2 [O-][Sn](=O)[O-] TS27252 [1,0,0,0,0,0|2,0,1]=4 716 B3R0.2 [O-][Sn](=O)[O-] TS67600 [1,0,0,0,0,0|2,0,1]=4 717 B3R0.2 [O-][Sn](=O)[O-] TS73574 [1,0,0,0,0,0|2,0,1]=4 718 B3R0.2 [O-][Ta](=O)=O TS25814 [1,0,0,0,0,0|2,0,1]=4 719 B3R0.2 [O-][Ta](=O)=O TS30483 [1,0,0,0,0,0|2,0,1]=4 720 B3R0.2 [O-][Ta](=O)=O TS63067 [1,0,0,0,0,0|2,0,1]=4 721 B3R0.2 [O-][Te](=O)[O-] TS21209 [1,0,0,0,0,0|2,0,1]=4 722 B3R0.2 [O-][Te](=O)[O-] TS35101 [1,0,0,0,0,0|2,0,1]=4 723 B3R0.2 [O-][Te](=O)[O-] TS50013 [1,0,0,0,0,0|2,0,1]=4 724 B3R0.2 [O-][Te](=O)[O-] TS74179 [1,0,0,0,0,0|2,0,1]=4 725 B3R0.2 [O-][Ti](=O)[O-] TS04174 [1,0,0,0,0,0|2,0,1]=4 726 B3R0.2 [O-][Ti](=O)[O-] TS06029 [1,0,0,0,0,0|2,0,1]=4 727 B3R0.2 [O-][Ti](=O)[O-] TS41475 [1,0,0,0,0,0|2,0,1]=4 728 B3R0.2 [O-][Ti](=O)[O-] TS45720 [1,0,0,0,0,0|2,0,1]=4 729 B3R0.2 [O-][Ti](=O)[O-] TS72150 [1,0,0,0,0,0|2,0,1]=4 730 B3R0.2 [O-][V](=O)=O TS20300 [1,0,0,0,0,0|2,0,1]=4 731 B3R0.2 [O-][V](=O)=O TS31719 [1,0,0,0,0,0|2,0,1]=4 732 B3R0.2 [O-][V](=O)=O TS37326 [1,0,0,0,0,0|2,0,1]=4 733 B3R0.2 [O-][V](=O)=O TS57016 [1,0,0,0,0,0|2,0,1]=4 734 B3R0.2 [O-][Zr](=O)[O-] TS10281 [1,0,0,0,0,0|2,0,1]=4 735 B3R0.2 [O-][Zr](=O)[O-] TS38712 [1,0,0,0,0,0|2,0,1]=4 736 B3R0.2 [O-][Zr](=O)[O-] TS42648 [1,0,0,0,0,0|2,0,1]=4 737 B3R0.2 [O-][Zr](=O)[O-] TS47780 [1,0,0,0,0,0|2,0,1]=4 738 B3R0.2 [O-][Zr](=O)[O-] TS52449 [1,0,0,0,0,0|2,0,1]=4 739 B3R0.2 [O-][Zr](=O)[O-] TS63041 [1,0,0,0,0,0|2,0,1]=4 740 B5R0.1 B(CCC)(O)O TS59317 [0,1,0,0,0,0|1,0,1]=3 741 B5R0.1 C#CCC(=O)O TS03477 [0,1,0,0,0,0|0,0,1]=2 742 B5R0.1 C(#N)NC(=O)N TS31749 [0,1,0,0,0,0|2,0,1]=4 743 B5R0.1 C(=CCl)C(=O)O TS31733 [0,1,0,0,0,0|0,0,2]=3 744 B5R0.1 C(=CCl)C(=O)O TS59459 [0,1,0,0,0,0|0,0,2]=3 745 B5R0.1 C(=CI)C(=O)O TS53940 [0,1,0,0,0,0|0,0,2]=3 746 B5R0.1 C(=O)NC(=O)N TS71797 [0,1,0,0,0,0|2,0,1]=4 747 B5R0.1 C(C#N)C(=O)N TS00078 [0,1,0,0,0,0|1,0,1]=3 748 B5R0.1 C(C#N)C(=O)O TS71730 [0,1,0,0,0,0|0,0,1]=2 749 B5R0.1 C(C#N)C(=S)N TS00976 [0,1,0,0,0,0|1,1,1]=4 750 B5R0.1 C(C=C(Cl)Cl)Cl TS07133 [0,1,0,0,0,0|2,0,1]=4 751 B5R0.1 C(C=C(F)F)Br TS10807 [0,1,0,0,0,0|2,0,1]=4 752 B5R0.1 C(CBr)C(=N)N TS40973 [0,1,0,0,0,0|2,0,0]=3 753 B5R0.1 C(CBr)C(=O)N TS10109 [0,1,0,0,0,0|1,0,0]=2 754 B5R0.1 C(CBr)C(=O)O TS09493 [0,1,0,0,0,0|0,0,0]=1 755 B5R0.1 C(CCl)C(=O)Cl TS00146 [0,1,0,0,0,0|1,0,0]=2 756 B5R0.1 C(CCl)C(=O)N TS04118 [0,1,0,0,0,0|1,0,0]=2 757 B5R0.1 C(CCl)C(=O)O TS04159 [0,1,0,0,0,0|0,0,0]=1 758 B5R0.1 C(CI)C(=O)O TS18918 [0,1,0,0,0,0|0,0,0]=1 759 B5R0.1 C(CN)C(=O)N TS36032 [0,1,0,0,0,0|1,0,0]=2 760 B5R0.1 C(CN)C(=O)O TS02667 [0,1,0,0,0,0|0,0,0]=1 761 B5R0.1 C(CO)C(=O)O TS16373 [0,1,0,0,0,0|0,0,0]=1 762 B5R0.1 C(CO)[N+](=O)[O-] TS01787 [0,1,0,0,0,0|1,0,1]=3 763 B5R0.1 C(CP(=O)O)N TS94065 [0,1,0,0,0,0|1,0,0]=2 764 B5R0.1 C(CS(=O)O)N TS31804 [0,1,0,0,0,0|1,0,0]=2 765 B5R0.1 C(CS)C(=O)O TS04091 [0,1,0,0,0,0|0,0,0]=1 766 B5R0.1 C(OC(=O)Cl)Cl TS36381 [0,1,0,0,0,0|2,0,0]=3 767 B5R0.1 C(SC(=O)N)Cl TS36084 [0,1,0,0,0,0|2,0,0]=3 768 B5R0.1 C=C(CCO)Br TS40970 [0,1,0,0,0,0|2,0,0]=3 769 B5R0.1 C=CCC(=O)O TS03525 [0,1,0,0,0,0|0,0,1]=2 770 B5R0.1 C=CCP(=O)O TS31725 [0,1,0,0,0,0|1,0,1]=3 771 B5R0.1 C=CNC(=O)N TS71741 [0,1,0,0,0,0|1,0,2]=4 772 B5R0.1 C=COC(=O)Cl TS31731 [0,1,0,0,0,0|1,0,2]=4 773 B5R0.1 C=COC(=O)N TS03553 [0,1,0,0,0,0|1,0,2]=4 774 B5R0.1 CC#CC(=C)C TS71668 [0,1,0,0,0,0|2,0,1]=4 775 B5R0.1 CC#CC(=O)O TS55183 [0,1,0,0,0,0|0,0,1]=2 776 B5R0.1 CC#C[C@H](C)O TS03495 [0,1,0,0,0,0|1,0,2]=4 777 B5R0.1 CC(=C)CC#N TS03447 [0,1,0,0,0,0|2,0,1]=4 778 B5R0.1 CC(=C)CCO TS71766 [0,1,0,0,0,0|2,0,0]=3 779 B5R0.1 CC(=CCBr)C TS00408 [0,1,0,0,0,0|2,0,1]=4 780 B5R0.1 CC(=CCCl)C TS00047 [0,1,0,0,0,0|2,0,1]=4 781 B5R0.1 CC(=CCN)C TS04881 [0,1,0,0,0,0|2,0,1]=4 782 B5R0.1 CC(=CCN)C TS63606 [0,1,0,0,0,0|2,0,1]=4 783 B5R0.1 CC(=CCN)C TS70656 [0,1,0,0,0,0|2,0,1]=4 784 B5R0.1 CC(=CCO)C TS71763 [0,1,0,0,0,0|2,0,1]=4 785 B5R0.1 CC(=CCO)Cl TS31734 [0,1,0,0,0,0|2,0,1]=4 786 B5R0.1 CC(=CCS)C TS03985 [0,1,0,0,0,0|2,0,1]=4 787 B5R0.1 CC(=O)C=NO TS03554 [0,1,0,0,0,0|2,0,1]=4 788 B5R0.1 CC(=O)CC#N TS04063 [0,1,0,0,0,0|1,0,1]=3 789 B5R0.1 CC(=O)CCO TS39752 [0,1,0,0,0,0|1,0,0]=2 790 B5R0.1 CC(=O)CCS TS31678 [0,1,0,0,0,0|1,0,0]=2 791 B5R0.1 CC(=O)COC TS03573 [0,1,0,0,0,0|1,0,0]=2 792 B5R0.1 CC(=O)CSC TS31685 [0,1,0,0,0,0|1,0,0]=2 793 B5R0.1 CC(=O)NCO TS08902 [0,1,0,0,0,0|2,0,0]=3 794 B5R0.1 CC(=O)NSC TS31708 [0,1,0,0,0,0|2,0,0]=3 795 B5R0.1 CC(=O)OC=C TS03528 [0,1,0,0,0,0|1,0,2]=4 796 B5R0.1 CC(=O)OC=O TS71794 [0,1,0,0,0,0|2,0,1]=4 797 B5R0.1 CC(=O)OCBr TS16534 [0,1,0,0,0,0|2,0,0]=3 798 B5R0.1 CC(=O)OCCl TS55809 [0,1,0,0,0,0|2,0,0]=3 799 B5R0.1 CC(=O)O[Hg]C TS30965 [0,1,0,0,0,0|2,0,0]=3 800 B5R0.1 CC(=S)NOC TS31706 [0,1,0,0,0,0|2,1,0]=4 801 B5R0.1 CC(C)CCBr TS09985 [0,1,0,0,0,0|2,0,1]=4 802 B5R0.1 CC(C)CCCl TS31743 [0,1,0,0,0,0|2,0,1]=4 803 B5R0.1 CC(C)CCI TS18548 [0,1,0,0,0,0|2,0,1]=4 804 B5R0.1 CC(C)CCN TS71773 [0,1,0,0,0,0|2,0,1]=4 805 B5R0.1 CC(C)CCO TS71804 [0,1,0,0,0,0|2,0,1]=4 806 B5R0.1 CC(C)CCS TS31696 [0,1,0,0,0,0|2,0,1]=4 807 B5R0.1 CC(C)CC[Zn+] TS49167 [0,1,0,0,0,0|2,0,1]=4 808 B5R0.1 CC(C)CNC TS01600 [0,1,0,0,0,0|2,0,1]=4 809 B5R0.1 CC(C)CSC TS31693 [0,1,0,0,0,0|2,0,1]=4 810 B5R0.1 CC(CC#C)O TS03487 [0,1,0,0,0,0|1,0,2]=4 811 B5R0.1 CC(CC=C)O TS71743 [0,1,0,0,0,0|1,0,2]=4 812 B5R0.1 CC(CC=O)O TS03574 [0,1,0,0,0,0|1,0,2]=4 813 B5R0.1 CC(CCBr)Br TS21967 [0,1,0,0,0,0|2,0,1]=4 814 B5R0.1 CC(CCN)O TS02231 [0,1,0,0,0,0|1,0,1]=3 815 B5R0.1 CC(CCO)N TS60329 [0,1,0,0,0,0|2,0,1]=4 816 B5R0.1 CC(CCO)O TS71832 [0,1,0,0,0,0|1,0,1]=3 817 B5R0.1 CC(CCS)S TS04931 [0,1,0,0,0,0|1,1,1]=4 818 B5R0.1 CC(COC)N TS03608 [0,1,0,0,0,0|2,0,1]=4 819 B5R0.1 CC(COC)O TS71841 [0,1,0,0,0,0|1,0,1]=3 820 B5R0.1 CC=CC(=O)C TS03499 [0,1,0,0,0,0|1,0,1]=3 821 B5R0.1 CC=CC(=O)Cl TS04051 [0,1,0,0,0,0|1,0,1]=3 822 B5R0.1 CC=CC(=O)N TS03508 [0,1,0,0,0,0|1,0,1]=3 823 B5R0.1 CC=CC(=O)O TS03526 [0,1,0,0,0,0|0,0,1]=2 824 B5R0.1 CC=CC(=O)[O-] TS05036 [0,1,0,0,0,0|0,0,2]=3 825 B5R0.1 CC=CC(C)O TS71747 [0,1,0,0,0,0|1,0,2]=4 826 B5R0.1 CCC=C(C)C TS71718 [0,1,0,0,0,0|2,0,0]=3 827 B5R0.1 CCC=C(F)F TS03652 [0,1,0,0,0,0|2,0,0]=3 828 B5R0.1 CCCC(=C)C TS71722 [0,1,0,0,0,0|2,0,0]=3 829 B5R0.1 CCCC(=N)N TS03542 [0,1,0,0,0,0|2,0,0]=3 830 B5R0.1 CCCC(=N)N TS04952 [0,1,0,0,0,0|2,0,0]=3 831 B5R0.1 CCCC(=O)Br TS40964 [0,1,0,0,0,0|1,0,0]=2 832 B5R0.1 CCCC(=O)C TS71754 [0,1,0,0,0,0|1,0,0]=2 833 B5R0.1 CCCC(=O)Cl TS16539 [0,1,0,0,0,0|1,0,0]=2 834 B5R0.1 CCCC(=O)N TS03561 [0,1,0,0,0,0|1,0,0]=2 835 B5R0.1 CCCC(=O)O TS03572 [0,1,0,0,0,0|0,0,0]=1 836 B5R0.1 CCCC(=O)O TS63934 [0,1,0,0,0,0|0,0,0]=1 837 B5R0.1 CCCC(=O)[O-] TS04184 [0,1,0,0,0,0|0,0,1]=2 838 B5R0.1 CCCC(=O)[O-] TS04232 [0,1,0,0,0,0|0,0,1]=2 839 B5R0.1 CCCC(=O)[O-] TS44539 [0,1,0,0,0,0|0,0,1]=2 840 B5R0.1 CCCC(=S)Cl TS37257 [0,1,0,0,0,0|1,1,0]=3 841 B5R0.1 CCCC(=S)O TS04825 [0,1,0,0,0,0|0,1,0]=2 842 B5R0.1 CCCC(C)Br TS09989 [0,1,0,0,0,0|2,0,1]=4 843 B5R0.1 CCCC(C)Cl TS31741 [0,1,0,0,0,0|2,0,1]=4 844 B5R0.1 CCCC(C)I TS18550 [0,1,0,0,0,0|2,0,1]=4 845 B5R0.1 CCCC(C)O TS03596 [0,1,0,0,0,0|1,0,1]=3 846 B5R0.1 CCCC(C)S TS31692 [0,1,0,0,0,0|1,1,1]=4 847 B5R0.1 CCCC(C)[Zn+] TS49166 [0,1,0,0,0,0|2,0,1]=4 848 B5R0.1 CCCC(Cl)Cl TS36206 [0,1,0,0,0,0|2,0,1]=4 849 B5R0.1 CCCN(C)C TS71775 [0,1,0,0,0,0|3,0,0]=4 850 B5R0.1 CCCP(Cl)Cl TS07061 [0,1,0,0,0,0|3,0,0]=4 851 B5R0.1 CCC[C@@H](C)O TS71801 [0,1,0,0,0,0|1,0,1]=3 852 B5R0.1 CCC[C@H](C)O TS71800 [0,1,0,0,0,0|1,0,1]=3 853 B5R0.1 CCC[N+](=O)[O-] TS71821 [0,1,0,0,0,0|1,0,1]=3 854 B5R0.1 CCNC(=N)N TS04994 [0,1,0,0,0,0|2,0,0]=3 855 B5R0.1 CCNC(=O)C TS03563 [0,1,0,0,0,0|1,0,0]=2 856 B5R0.1 CCNC(=O)N TS03591 [0,1,0,0,0,0|1,0,0]=2 857 B5R0.1 CCNC(=S)N TS31687 [0,1,0,0,0,0|1,1,0]=3 858 B5R0.1 CCNC(=[NH2+])N TS56393 [0,1,0,0,0,0|2,0,0]=3 859 B5R0.1 CCNC(C)C TS71777 [0,1,0,0,0,0|2,0,1]=4 860 B5R0.1 CCOC(=C)C TS71753 [0,1,0,0,0,0|2,0,0]=3 861 B5R0.1 CCOC(=O)C TS03585 [0,1,0,0,0,0|1,0,0]=2 862 B5R0.1 CCOC(=O)C TS03625 [0,1,0,0,0,0|1,0,0]=2 863 B5R0.1 CCOC(=O)C TS71827 [0,1,0,0,0,0|1,0,0]=2 864 B5R0.1 CCOC(=O)Cl TS56143 [0,1,0,0,0,0|1,0,0]=2 865 B5R0.1 CCOC(=O)N TS59479 [0,1,0,0,0,0|1,0,0]=2 866 B5R0.1 CCOC(=S)C TS31684 [0,1,0,0,0,0|1,1,0]=3 867 B5R0.1 CCOC(=S)Cl TS36034 [0,1,0,0,0,0|1,1,0]=3 868 B5R0.1 CCOC(C)C TS03595 [0,1,0,0,0,0|2,0,1]=4 869 B5R0.1 CCOC(C)Cl TS04164 [0,1,0,0,0,0|2,0,1]=4 870 B5R0.1 CCO[SiH](C)C TS04048 [0,1,0,0,0,0|2,1,0]=4 871 B5R0.1 CCSC(=S)C TS32440 [0,1,0,0,0,0|1,1,0]=3 872 B5R0.1 CCSC(C)C TS31689 [0,1,0,0,0,0|2,0,1]=4 873 B5R0.1 CN(C)CCBr TS25321 [0,1,0,0,0,0|3,0,0]=4 874 B5R0.1 CN(C)CCN TS00990 [0,1,0,0,0,0|3,0,0]=4 875 B5R0.1 CN(C)CCO TS03600 [0,1,0,0,0,0|3,0,0]=4 876 B5R0.1 CN(C)CCS TS31711 [0,1,0,0,0,0|3,0,0]=4 877 B5R0.1 CN(C)CCS TS37538 [0,1,0,0,0,0|3,0,0]=4 878 B5R0.1 CN(C)CCS TS37540 [0,1,0,0,0,0|3,0,0]=4 879 B5R0.1 CNCC(=O)N TS36031 [0,1,0,0,0,0|1,0,0]=2 880 B5R0.1 CNCC(=O)O TS34582 [0,1,0,0,0,0|0,0,0]=1 881 B5R0.1 CNCC(=O)O TS36080 [0,1,0,0,0,0|0,0,0]=1 882 B5R0.1 CNCC(=O)[O-] TS04231 [0,1,0,0,0,0|0,0,1]=2 883 B5R0.1 COCC(=N)N TS36030 [0,1,0,0,0,0|2,0,0]=3 884 B5R0.1 COCC(=O)O TS03620 [0,1,0,0,0,0|0,0,0]=1 885 B5R0.1 CSCC(=N)N TS31686 [0,1,0,0,0,0|2,0,0]=3 886 B5R0.1 CSCC(=O)N TS93570 [0,1,0,0,0,0|1,0,0]=2 887 B5R0.1 CSCS(=O)C TS05065 [0,1,0,0,0,0|2,0,0]=3 888 B5R0.1 C[C@@H](CC#N)O TS71734 [0,1,0,0,0,0|1,0,2]=4 889 B5R0.1 C[C@@H](CCO)O TS71843 [0,1,0,0,0,0|1,0,1]=3 890 B5R0.1 C[C@@H](COC)N TS03602 [0,1,0,0,0,0|2,0,1]=4 891 B5R0.1 C[C@@H](COC)O TS71834 [0,1,0,0,0,0|1,0,1]=3 892 B5R0.1 C[C@H](CC#N)O TS03507 [0,1,0,0,0,0|1,0,2]=4 893 B5R0.1 C[C@H](CC=C)O TS03535 [0,1,0,0,0,0|1,0,2]=4 894 B5R0.1 C[C@H](CCO)N TS93947 [0,1,0,0,0,0|2,0,1]=4 895 B5R0.1 C[C@H](CCO)O TS71835 [0,1,0,0,0,0|1,0,1]=3 896 B5R0.1 C[C@H](COC)O TS00301 [0,1,0,0,0,0|1,0,1]=3 897 B5R0.3 C(=O)(NN)NN TS03626 [0,1,0,0,0,0|3,0,0]=4 898 B5R0.3 C(=O)(NN)NO TS03641 [0,1,0,0,0,0|2,0,0]=3 899 B5R0.3 C(C(=CBr)Br)O TS21960 [0,1,0,0,0,0|2,0,1]=4 900 B5R0.3 C(C(=CCl)Cl)Cl TS07134 [0,1,0,0,0,0|3,0,0]=4 901 B5R0.3 C(C(=O)CBr)Br TS21961 [0,1,0,0,0,0|2,0,0]=3 902 B5R0.3 C(C(=O)CCl)Cl TS36200 [0,1,0,0,0,0|2,0,0]=3 903 B5R0.3 C(C(=O)CF)F TS03661 [0,1,0,0,0,0|2,0,0]=3 904 B5R0.3 C(C(=O)CI)I TS60842 [0,1,0,0,0,0|2,0,0]=3 905 B5R0.3 C(C(=O)CN)N TS11357 [0,1,0,0,0,0|2,0,0]=3 906 B5R0.3 C(C(=O)CO)O TS46803 [0,1,0,0,0,0|1,0,0]=2 907 B5R0.3 C(C(C=O)O)O TS47844 [0,1,0,0,0,0|1,0,1]=3 908 B5R0.3 C(C(CBr)Br)O TS22312 [0,1,0,0,0,0|2,0,1]=4 909 B5R0.3 C(C(CBr)O)Br TS22311 [0,1,0,0,0,0|2,0,1]=4 910 B5R0.3 C(C(CBr)O)F TS10809 [0,1,0,0,0,0|2,0,1]=4 911 B5R0.3 C(C(CBr)O)O TS10534 [0,1,0,0,0,0|1,0,2]=4 912 B5R0.3 C(C(CCl)Cl)O TS36383 [0,1,0,0,0,0|2,0,1]=4 913 B5R0.3 C(C(CCl)O)Cl TS07880 [0,1,0,0,0,0|2,0,1]=4 914 B5R0.3 C(C(CCl)O)F TS31988 [0,1,0,0,0,0|2,0,1]=4 915 B5R0.3 C(C(CCl)O)O TS08669 [0,1,0,0,0,0|1,0,2]=4 916 B5R0.3 C(C(CF)O)F TS03710 [0,1,0,0,0,0|2,0,1]=4 917 B5R0.3 C(C(CN)O)N TS46792 [0,1,0,0,0,0|2,0,1]=4 918 B5R0.3 C(C(CO)N)O TS65262 [0,1,0,0,0,0|2,0,1]=4 919 B5R0.3 C(C(CO)N)O TS65263 [0,1,0,0,0,0|2,0,1]=4 920 B5R0.3 C(C(CO)N)O TS74211 [0,1,0,0,0,0|2,0,1]=4 921 B5R0.3 C(C(CO)O)N TS39698 [0,1,0,0,0,0|1,0,2]=4 922 B5R0.3 C(C(CO)O)O TS03653 [0,1,0,0,0,0|1,0,2]=4 923 B5R0.3 C(C(CO)O)O TS64624 [0,1,0,0,0,0|1,0,2]=4 924 B5R0.3 C(C(CO)O)O TS93602 [0,1,0,0,0,0|1,0,2]=4 925 B5R0.3 C(C(CS)O)O TS31781 [0,1,0,0,0,0|1,0,2]=4 926 B5R0.3 C(C(CS)S)O TS47162 [0,1,0,0,0,0|1,1,1]=4 927 B5R0.3 C([C@@H](C=O)O)O TS03618 [0,1,0,0,0,0|1,0,1]=3 928 B5R0.3 C([C@@H](C=O)O)O TS08118 [0,1,0,0,0,0|1,0,1]=3 929 B5R0.3 C([C@@H](CBr)O)O TS10532 [0,1,0,0,0,0|1,0,2]=4 930 B5R0.3 C([C@@H](CCl)O)N TS93716 [0,1,0,0,0,0|2,0,1]=4 931 B5R0.3 C([C@@H](CCl)O)O TS59492 [0,1,0,0,0,0|1,0,2]=4 932 B5R0.3 C([C@@H](CO)O)N TS05290 [0,1,0,0,0,0|1,0,2]=4 933 B5R0.3 C([C@@H](CO)O)N TS08134 [0,1,0,0,0,0|1,0,2]=4 934 B5R0.3 C([C@H](C=O)O)O TS07853 [0,1,0,0,0,0|1,0,1]=3 935 B5R0.3 C([C@H](CBr)O)O TS10533 [0,1,0,0,0,0|1,0,2]=4 936 B5R0.3 C([C@H](CO)O)N TS08079 [0,1,0,0,0,0|1,0,2]=4 937 B5R0.3 C=C(CCl)CCl TS39712 [0,1,0,0,0,0|3,0,0]=4 938 B5R0.3 C=C(CO)CO TS65602 [0,1,0,0,0,0|2,0,0]=3 939 B5R0.3 C=CC(=O)CBr TS00417 [0,1,0,0,0,0|2,0,0]=3 940 B5R0.3 C=CC(CBr)O TS40965 [0,1,0,0,0,0|2,0,1]=4 941 B5R0.3 C=CC(CO)O TS03577 [0,1,0,0,0,0|2,0,1]=4 942 B5R0.3 C=C[C@@H](CO)O TS03582 [0,1,0,0,0,0|2,0,1]=4 943 B5R0.3 C=C[C@H](CO)O TS03583 [0,1,0,0,0,0|2,0,1]=4 944 B5R0.3 CC(=CN)C=O TS07741 [0,1,0,0,0,0|2,0,1]=4 945 B5R0.3 CC(CO)CO TS71833 [0,1,0,0,0,0|2,0,1]=4 946 B5R0.3 CC(OC)OC TS71840 [0,1,0,0,0,0|2,0,1]=4 947 B5R0.3 CC=C(C)C=C TS03466 [0,1,0,0,0,0|2,0,1]=4 948 B5R0.3 CC=C(C)C=C TS71680 [0,1,0,0,0,0|2,0,1]=4 949 B5R0.3 CC=C(C)C=O TS03488 [0,1,0,0,0,0|1,0,1]=3 950 B5R0.3 CC=C(C=O)Cl TS04052 [0,1,0,0,0,0|1,0,1]=3 951 B5R0.3 CC=C(CO)Br TS40966 [0,1,0,0,0,0|1,0,1]=3 952 B5R0.3 CCC(=C)C=C TS71686 [0,1,0,0,0,0|2,0,0]=3 953 B5R0.3 CCC(=C)CC TS71714 [0,1,0,0,0,0|2,0,0]=3 954 B5R0.3 CCC(=NO)C TS03558 [0,1,0,0,0,0|1,0,0]=2 955 B5R0.3 CCC(=O)C=C TS03496 [0,1,0,0,0,0|1,0,0]=2 956 B5R0.3 CCC(=O)C=O TS03524 [0,1,0,0,0,0|0,0,1]=2 957 B5R0.3 CCC(=O)CBr TS00020 [0,1,0,0,0,0|1,0,0]=2 958 B5R0.3 CCC(=O)CC TS00240 [0,1,0,0,0,0|1,0,0]=2 959 B5R0.3 CCC(=O)CCl TS31736 [0,1,0,0,0,0|1,0,0]=2 960 B5R0.3 CCC(=O)CO TS05538 [0,1,0,0,0,0|0,0,0]=1 961 B5R0.3 CCC(=O)NC TS03562 [0,1,0,0,0,0|1,0,0]=2 962 B5R0.3 CCC(=O)NN TS03589 [0,1,0,0,0,0|1,0,0]=2 963 B5R0.3 CCC(=O)OC TS03587 [0,1,0,0,0,0|0,0,0]=1 964 B5R0.3 CCC(=S)OC TS31680 [0,1,0,0,0,0|0,1,0]=2 965 B5R0.3 CCC(C#C)O TS03494 [0,1,0,0,0,0|1,0,1]=3 966 B5R0.3 CCC(C#N)O TS03503 [0,1,0,0,0,0|1,0,1]=3 967 B5R0.3 CCC(C)C#C TS03468 [0,1,0,0,0,0|2,0,1]=4 968 B5R0.3 CCC(C)C=O TS03536 [0,1,0,0,0,0|1,0,1]=3 969 B5R0.3 CCC(C)CBr TS09987 [0,1,0,0,0,0|2,0,1]=4 970 B5R0.3 CCC(C)CC TS03546 [0,1,0,0,0,0|2,0,1]=4 971 B5R0.3 CCC(C)CCl TS31746 [0,1,0,0,0,0|2,0,1]=4 972 B5R0.3 CCC(C)CI TS18546 [0,1,0,0,0,0|2,0,1]=4 973 B5R0.3 CCC(C)CN TS71788 [0,1,0,0,0,0|2,0,1]=4 974 B5R0.3 CCC(C)CO TS03593 [0,1,0,0,0,0|1,0,1]=3 975 B5R0.3 CCC(C)CS TS31698 [0,1,0,0,0,0|1,1,1]=4 976 B5R0.3 CCC(C)NC TS04995 [0,1,0,0,0,0|2,0,1]=4 977 B5R0.3 CCC(C)NC TS71785 [0,1,0,0,0,0|2,0,1]=4 978 B5R0.3 CCC(C)OC TS71803 [0,1,0,0,0,0|1,0,1]=3 979 B5R0.3 CCC(C)ON TS36089 [0,1,0,0,0,0|1,0,1]=3 980 B5R0.3 CCC(C)SC TS31697 [0,1,0,0,0,0|1,1,1]=4 981 B5R0.3 CCC(C)[Mg]Br TS11456 [0,1,0,0,0,0|2,0,1]=4 982 B5R0.3 CCC(C)[Mg]Cl TS32262 [0,1,0,0,0,0|2,0,1]=4 983 B5R0.3 CCC(C=C)O TS71760 [0,1,0,0,0,0|1,0,1]=3 984 B5R0.3 CCC(CBr)Br TS21966 [0,1,0,0,0,0|2,0,1]=4 985 B5R0.3 CCC(CBr)Cl TS13062 [0,1,0,0,0,0|2,0,1]=4 986 B5R0.3 CCC(CBr)O TS10270 [0,1,0,0,0,0|1,0,1]=3 987 B5R0.3 CCC(CC)Br TS09988 [0,1,0,0,0,0|2,0,1]=4 988 B5R0.3 CCC(CC)Cl TS31745 [0,1,0,0,0,0|2,0,1]=4 989 B5R0.3 CCC(CC)F TS71849 [0,1,0,0,0,0|2,0,1]=4 990 B5R0.3 CCC(CC)I TS18549 [0,1,0,0,0,0|2,0,1]=4 991 B5R0.3 CCC(CC)N TS00440 [0,1,0,0,0,0|2,0,1]=4 992 B5R0.3 CCC(CC)O TS00239 [0,1,0,0,0,0|1,0,1]=3 993 B5R0.3 CCC(CC)[Zn+] TS49169 [0,1,0,0,0,0|2,0,1]=4 994 B5R0.3 CCC(CCl)Cl TS36203 [0,1,0,0,0,0|2,0,1]=4 995 B5R0.3 CCC(CN)N TS71807 [0,1,0,0,0,0|2,0,1]=4 996 B5R0.3 CCC(CN)O TS03604 [0,1,0,0,0,0|1,0,1]=3 997 B5R0.3 CCC(CO)N TS03601 [0,1,0,0,0,0|1,0,1]=3 998 B5R0.3 CCC(CS)S TS04932 [0,1,0,0,0,0|0,2,1]=4 999 B5R0.3 CCN(C)CC TS71781 [0,1,0,0,0,0|3,0,0]=4 1000 B5R0.3 CCN(C)N=O TS03588 [0,1,0,0,0,0|2,0,0]=3 1001 B5R0.3 CCN(CC)O TS03599 [0,1,0,0,0,0|2,0,0]=3 1002 B5R0.3 CCP(CC)Cl TS36025 [0,1,0,0,0,0|3,0,0]=4 1003 B5R0.3 CCS(=O)CC TS04104 [0,1,0,0,0,0|2,0,0]=3 1004 B5R0.3 CC[Al](CC)Cl TS27650 [0,1,0,0,0,0|3,0,0]=4 1005 B5R0.3 CC[C@@H](CO)O TS71836 [0,1,0,0,0,0|0,0,2]=3 1006 B5R0.3 CC[C@H](C)C#N TS71705 [0,1,0,0,0,0|2,0,1]=4 1007 B5R0.3 CC[C@H](C)CBr TS39655 [0,1,0,0,0,0|2,0,1]=4 1008 B5R0.3 CC[C@H](C)CCl TS31744 [0,1,0,0,0,0|2,0,1]=4 1009 B5R0.3 CC[C@H](CO)N TS03605 [0,1,0,0,0,0|1,0,1]=3 1010 B5R0.3 CC[C@H](CO)O TS71838 [0,1,0,0,0,0|0,0,2]=3 1011 B5R0.3 CC[SiH](C)CC TS03988 [0,1,0,0,0,0|2,1,0]=4 1012 B5R0.3 CC[Sn](=O)CC TS17584 [0,1,0,0,0,0|2,0,0]=3 1013 B5R0.3 CNC(=N)SC TS94298 [0,1,0,0,0,0|2,1,0]=4 1014 B5R0.3 CNC(=O)CCl TS04119 [0,1,0,0,0,0|2,0,0]=3 1015 B5R0.3 CNC(=O)CN TS36033 [0,1,0,0,0,0|2,0,0]=3 1016 B5R0.3 CNC(=O)NC TS08682 [0,1,0,0,0,0|2,0,0]=3 1017 B5R0.3 CNC(=S)C#N TS03857 [0,1,0,0,0,0|2,1,0]=4 1018 B5R0.3 CNC(=S)NC TS07883 [0,1,0,0,0,0|2,1,0]=4 1019 B5R0.3 CNC(=S)NN TS31709 [0,1,0,0,0,0|2,1,0]=4 1020 B5R0.3 CNC(=S)S[Na] TS05471 [0,1,0,0,0,0|1,2,0]=4 1021 B5R0.3 COC(=O)C#C TS01555 [0,1,0,0,0,0|0,0,2]=3 1022 B5R0.3 COC(=O)C#N TS71728 [0,1,0,0,0,0|1,0,1]=3 1023 B5R0.3 COC(=O)C=C TS03529 [0,1,0,0,0,0|0,0,2]=3 1024 B5R0.3 COC(=O)C=O TS65230 [0,1,0,0,0,0|1,0,1]=3 1025 B5R0.3 COC(=O)CBr TS08895 [0,1,0,0,0,0|1,0,0]=2 1026 B5R0.3 COC(=O)CCl TS39826 [0,1,0,0,0,0|1,0,0]=2 1027 B5R0.3 COC(=O)CF TS65235 [0,1,0,0,0,0|1,0,0]=2 1028 B5R0.3 COC(=O)CN TS36079 [0,1,0,0,0,0|1,0,0]=2 1029 B5R0.3 COC(=O)CN TS93910 [0,1,0,0,0,0|1,0,0]=2 1030 B5R0.3 COC(=O)CO TS03617 [0,1,0,0,0,0|1,0,0]=2 1031 B5R0.3 COC(=O)CS TS39888 [0,1,0,0,0,0|1,0,0]=2 1032 B5R0.3 COC(=O)NN TS65196 [0,1,0,0,0,0|2,0,0]=3 1033 B5R0.3 COC(=O)OC TS33240 [0,1,0,0,0,0|1,0,0]=2 1034 B5R0.3 COC(=O)SCl TS36190 [0,1,0,0,0,0|1,1,0]=3 1035 B5R0.3 COP(OC)Cl TS36376 [0,1,0,0,0,0|3,0,0]=4 1036 B5R0.3 COP([O-])OC TS82846 [0,1,0,0,0,0|2,0,1]=4 1037 B5R0.3 COS(=O)OC TS31831 [0,1,0,0,0,0|2,0,0]=3 1038 B5R0.3 CO[SiH](C)OC TS04108 [0,1,0,0,0,0|2,1,0]=4 1039 B5R0.3 CSC(=C)SC TS32439 [0,1,0,0,0,0|2,1,0]=4 1040 B5R0.3 CSC(=O)SC TS04928 [0,1,0,0,0,0|1,1,0]=3 1041 B5R0.3 CSC(=S)SC TS37238 [0,1,0,0,0,0|1,2,0]=4 1042 B5R0.3 C[C@@H](CO)CBr TS10268 [0,1,0,0,0,0|2,0,1]=4 1043 B5R0.3 C[C@H](CO)CBr TS10271 [0,1,0,0,0,0|2,0,1]=4 1044 B5R0.4 C(N)P(=O)(O)O TS04230 [0,1,0,0,0,0|2,0,0]=3 1045 B5R0.4 C(N)P(=O)(O)O TS07385 [0,1,0,0,0,0|2,0,0]=3 1046 B5R0.4 C(N)S(=O)(=O)O TS04248 [0,1,0,0,0,0|2,0,0]=3 1047 B5R0.4 C(P(=O)(O)O)Cl TS36562 [0,1,0,0,0,0|2,0,0]=3 1048 B5R0.4 C(S(=O)(=O)Cl)Cl TS07530 [0,1,0,0,0,0|2,0,1]=4 1049 B5R0.4 C(S(=O)(=O)[O-])I TS61929 [0,1,0,0,0,0|2,0,1]=4 1050 B5R0.4 C=CP(=O)(O)O TS04128 [0,1,0,0,0,0|1,0,2]=4 1051 B5R0.4 C=CS(=O)(=O)O TS31764 [0,1,0,0,0,0|1,0,2]=4 1052 B5R0.4 CC(C)(CCl)O TS04161 [0,1,0,0,0,0|2,0,1]=4 1053 B5R0.4 CC(C)(CO)O TS71839 [0,1,0,0,0,0|2,0,1]=4 1054 B5R0.4 CCC(C)(C)C TS03545 [0,1,0,0,0,0|2,0,1]=4 1055 B5R0.4 CCC(C)(C)F TS71847 [0,1,0,0,0,0|2,0,1]=4 1056 B5R0.4 CCC(C)(C)I TS18551 [0,1,0,0,0,0|2,0,1]=4 1057 B5R0.4 CCC(C)(C)N TS71778 [0,1,0,0,0,0|2,0,1]=4 1058 B5R0.4 CCC(C)(C)O TS02090 [0,1,0,0,0,0|1,0,1]=3 1059 B5R0.4 CCC(C)(C)S TS31694 [0,1,0,0,0,0|1,1,1]=4 1060 B5R0.4 CCC(C)(C)[O-] TS31830 [0,1,0,0,0,0|1,0,2]=4 1061 B5R0.4 CCC(C)(C)[O-] TS36175 [0,1,0,0,0,0|1,0,2]=4 1062 B5R0.4 CCC(C)(C)[Zn+] TS49170 [0,1,0,0,0,0|2,0,1]=4 1063 B5R0.4 CCC(C)(Cl)Cl TS36205 [0,1,0,0,0,0|2,0,1]=4 1064 B5R0.4 CCC(F)(F)F TS03753 [0,1,0,0,0,0|2,0,1]=4 1065 B5R0.4 CCP(=O)(O)O TS04177 [0,1,0,0,0,0|1,0,0]=2 1066 B5R0.4 CCS(=O)(=O)C TS31782 [0,1,0,0,0,0|1,0,1]=3 1067 B5R0.4 CCS(=O)(=O)Cl TS36380 [0,1,0,0,0,0|1,0,1]=3 1068 B5R0.4 CCS(=O)(=O)N TS01909 [0,1,0,0,0,0|1,0,1]=3 1069 B5R0.4 CCS(=O)(=O)O TS31833 [0,1,0,0,0,0|1,0,0]=2 1070 B5R0.4 CCS(=O)(=O)[O-] TS93866 [0,1,0,0,0,0|1,0,1]=3 1071 B5R0.4 CC[Ge](Cl)(Cl)Cl TS43379 [0,1,0,0,0,0|2,1,0]=4 1072 B5R0.4 CC[Si](C)(C)C TS39386 [0,1,0,0,0,0|2,1,0]=4 1073 B5R0.4 CC[Si](C)(C)Cl TS32542 [0,1,0,0,0,0|2,1,0]=4 1074 B5R0.4 CC[Si](C)(Cl)Cl TS40046 [0,1,0,0,0,0|2,1,0]=4 1075 B5R0.4 CC[Si](Cl)(Cl)Cl TS42646 [0,1,0,0,0,0|2,1,0]=4 1076 B5R0.4 CC[Si](F)(F)F TS32059 [0,1,0,0,0,0|2,1,0]=4 1077 B5R0.4 CNS(=O)(=O)C TS01602 [0,1,0,0,0,0|2,0,1]=4 1078 B5R0.4 CNS(=O)(=O)Cl TS02318 [0,1,0,0,0,0|2,0,1]=4 1079 B5R0.4 CNS(=O)(=O)O TS04249 [0,1,0,0,0,0|2,0,0]=3 1080 B5R0.4 COP(=O)(C)O TS04178 [0,1,0,0,0,0|2,0,0]=3 1081 B5R0.4 COP(=O)([O-])[O-] TS04262 [0,1,0,0,0,0|2,0,1]=4 1082 B5R0.4 COS(=O)(=O)C TS31832 [0,1,0,0,0,0|2,0,1]=4 1083 B5R0.4 COS(=O)(=O)F TS04423 [0,1,0,0,0,0|2,0,1]=4 1084 B5R0.4 COS(=O)(=O)[O-] TS05868 [0,1,0,0,0,0|2,0,1]=4 1085 B5R0.4 COS(=O)(=O)[O-] TS40883 [0,1,0,0,0,0|2,0,1]=4 1086 B5R0.4 COS(=O)(=O)[O-] TS50775 [0,1,0,0,0,0|2,0,1]=4 1087 B5R0.4 CP(=O)(CCl)Cl TS40484 [0,1,0,0,0,0|3,0,0]=4 1088 B5R0.4 CSS(=O)(=O)C TS36163 [0,1,0,0,0,0|2,0,1]=4 1089 B5R0.4 NOS(=O)(=O)O TS01919 [0,1,0,0,0,0|3,0,0]=4 1090 B5R0.4 [B-](CC)(F)(F)F TS94661 [0,1,0,0,0,0|3,0,0]=4 1091 B5R0.5 B(C(=C)C)(O)O TS94670 [0,1,0,0,0,0|1,0,2]=4 1092 B5R0.5 B(C(C)C)(O)O TS56191 [0,1,0,0,0,0|1,0,1]=3 1093 B5R0.5 C(=N)(N)S(=O)O TS31766 [0,1,0,0,0,0|2,0,1]=4 1094 B5R0.5 C(=O)(C(=O)Cl)Cl TS39922 [0,1,0,0,0,0|2,0,1]=4 1095 B5R0.5 C(=O)(C(=O)F)F TS71886 [0,1,0,0,0,0|2,0,1]=4 1096 B5R0.5 C(=O)(C(=O)N)N TS03568 [0,1,0,0,0,0|2,0,1]=4 1097 B5R0.5 C(=O)(C(=O)O)N TS01624 [0,1,0,0,0,0|1,0,1]=3 1098 B5R0.5 C(=O)(C(=O)O)O TS03614 [0,1,0,0,0,0|1,0,1]=3 1099 B5R0.5 C(=O)(C(=O)O)O TS07631 [0,1,0,0,0,0|1,0,1]=3 1100 B5R0.5 C(=O)(C(=O)O)O TS11826 [0,1,0,0,0,0|1,0,1]=3 1101 B5R0.5 C(=O)(C(=O)O)O TS40816 [0,1,0,0,0,0|1,0,1]=3 1102 B5R0.5 C(=O)(C(=O)O)O TS63351 [0,1,0,0,0,0|1,0,1]=3 1103 B5R0.5 C(=O)(C(=O)[O-])N TS04229 [0,1,0,0,0,0|1,0,2]=4 1104 B5R0.5 C(=O)(C(=O)[O-])N TS36215 [0,1,0,0,0,0|1,0,2]=4 1105 B5R0.5 C(=O)(C(=O)[O-])O TS05512 [0,1,0,0,0,0|1,0,1]=3 1106 B5R0.5 C(=O)(C(=O)[O-])O TS36266 [0,1,0,0,0,0|1,0,1]=3 1107 B5R0.5 C(=O)(C(=O)[O-])[O-] TS05006 [0,1,0,0,0,0|1,0,2]=4 1108 B5R0.5 C(=O)(C(=O)[O-])[O-] TS05857 [0,1,0,0,0,0|1,0,2]=4 1109 B5R0.5 C(=O)(C(=O)[O-])[O-] TS06648 [0,1,0,0,0,0|1,0,2]=4 1110 B5R0.5 C(=O)(C(=O)[O-])[O-] TS13762 [0,1,0,0,0,0|1,0,2]=4 1111 B5R0.5 C(=O)(C(=O)[O-])[O-] TS14333 [0,1,0,0,0,0|1,0,2]=4 1112 B5R0.5 C(=O)(C(=O)[O-])[O-] TS15086 [0,1,0,0,0,0|1,0,2]=4 1113 B5R0.5 C(=O)(C(=O)[O-])[O-] TS15286 [0,1,0,0,0,0|1,0,2]=4 1114 B5R0.5 C(=O)(C(=O)[O-])[O-] TS17741 [0,1,0,0,0,0|1,0,2]=4 1115 B5R0.5 C(=O)(C(=O)[O-])[O-] TS20296 [0,1,0,0,0,0|1,0,2]=4 1116 B5R0.5 C(=O)(C(=O)[O-])[O-] TS24300 [0,1,0,0,0,0|1,0,2]=4 1117 B5R0.5 C(=O)(C(=O)[O-])[O-] TS31568 [0,1,0,0,0,0|1,0,2]=4 1118 B5R0.5 C(=O)(C(=O)[O-])[O-] TS35772 [0,1,0,0,0,0|1,0,2]=4 1119 B5R0.5 C(=O)(C(=O)[O-])[O-] TS72048 [0,1,0,0,0,0|1,0,2]=4 1120 B5R0.5 C(=O)(C(=O)[O-])[O-] TS72503 [0,1,0,0,0,0|1,0,2]=4 1121 B5R0.5 C(=O)(C(=O)[O-])[O-] TS73371 [0,1,0,0,0,0|1,0,2]=4 1122 B5R0.5 C(=O)(C(=O)[O-])[O-] TS74979 [0,1,0,0,0,0|1,0,2]=4 1123 B5R0.5 C(=O)(C(=O)[O-])[O-] TS75113 [0,1,0,0,0,0|1,0,2]=4 1124 B5R0.5 C(=O)(C(=O)[O-])[O-] TS75293 [0,1,0,0,0,0|1,0,2]=4 1125 B5R0.5 C(=O)(C(=O)[O-])[O-] TS75342 [0,1,0,0,0,0|1,0,2]=4 1126 B5R0.5 C(=O)(C(=O)[O-])[O-] TS78240 [0,1,0,0,0,0|1,0,2]=4 1127 B5R0.5 C(=O)(C(=O)[O-])[O-] TS83830 [0,1,0,0,0,0|1,0,2]=4 1128 B5R0.5 C(=O)(C(=O)[O-])[O-] TS83860 [0,1,0,0,0,0|1,0,2]=4 1129 B5R0.5 C(=O)(C(=O)[O-])[O-] TS83891 [0,1,0,0,0,0|1,0,2]=4 1130 B5R0.5 C(=O)(C(=O)[O-])[O-] TS84091 [0,1,0,0,0,0|1,0,2]=4 1131 B5R0.5 C(=O)(C(=O)[O-])[O-] TS84176 [0,1,0,0,0,0|1,0,2]=4 1132 B5R0.5 C(=O)(C(=O)[O-])[O-] TS84599 [0,1,0,0,0,0|1,0,2]=4 1133 B5R0.5 C(=O)(C(=O)[O-])[O-] TS84655 [0,1,0,0,0,0|1,0,2]=4 1134 B5R0.5 C(=O)(C(=O)[O-])[O-] TS94729 [0,1,0,0,0,0|1,0,2]=4 1135 B5R0.5 C(C(=N)N)(Cl)Cl TS36201 [0,1,0,0,0,0|3,0,0]=4 1136 B5R0.5 C(C(=O)Cl)(Cl)Cl TS07381 [0,1,0,0,0,0|2,0,0]=3 1137 B5R0.5 C(C(=O)Cl)(F)Cl TS36580 [0,1,0,0,0,0|2,0,0]=3 1138 B5R0.5 C(C(=O)Cl)(F)F TS32127 [0,1,0,0,0,0|2,0,0]=3 1139 B5R0.5 C(C(=O)F)(Cl)Cl TS36581 [0,1,0,0,0,0|2,0,0]=3 1140 B5R0.5 C(C(=O)F)(F)Cl TS32128 [0,1,0,0,0,0|2,0,0]=3 1141 B5R0.5 C(C(=O)F)(F)F TS31418 [0,1,0,0,0,0|2,0,0]=3 1142 B5R0.5 C(C(=O)N)(Cl)Cl TS05298 [0,1,0,0,0,0|2,0,0]=3 1143 B5R0.5 C(C(=O)N)(F)Br TS41564 [0,1,0,0,0,0|2,0,0]=3 1144 B5R0.5 C(C(=O)N)(F)Cl TS31896 [0,1,0,0,0,0|2,0,0]=3 1145 B5R0.5 C(C(=O)N)(F)F TS03689 [0,1,0,0,0,0|2,0,0]=3 1146 B5R0.5 C(C(=O)N)(F)I TS38361 [0,1,0,0,0,0|2,0,0]=3 1147 B5R0.5 C(C(=O)O)(Br)Br TS22308 [0,1,0,0,0,0|1,0,0]=2 1148 B5R0.5 C(C(=O)O)(Cl)Br TS45685 [0,1,0,0,0,0|1,0,0]=2 1149 B5R0.5 C(C(=O)O)(F)Cl TS31986 [0,1,0,0,0,0|1,0,0]=2 1150 B5R0.5 C(C(=O)O)(F)F TS01438 [0,1,0,0,0,0|1,0,0]=2 1151 B5R0.5 C(C(=O)[O-])(Cl)Cl TS55848 [0,1,0,0,0,0|1,0,1]=3 1152 B5R0.5 C(C(=O)[O-])(F)Br TS14323 [0,1,0,0,0,0|1,0,1]=3 1153 B5R0.5 C(C(=O)[O-])(F)Cl TS05935 [0,1,0,0,0,0|1,0,1]=3 1154 B5R0.5 C(C(=O)[O-])(F)F TS31570 [0,1,0,0,0,0|1,0,1]=3 1155 B5R0.5 C=C(C(=O)Cl)F TS04157 [0,1,0,0,0,0|1,0,2]=4 1156 B5R0.5 C=C(C(=O)O)Br TS40957 [0,1,0,0,0,0|0,0,2]=3 1157 B5R0.5 C=C(C(=O)O)Cl TS31732 [0,1,0,0,0,0|0,0,2]=3 1158 B5R0.5 C=C(C(=O)O)F TS03616 [0,1,0,0,0,0|0,0,2]=3 1159 B5R0.5 C=C(C(=O)[O-])Cl TS36375 [0,1,0,0,0,0|0,0,3]=4 1160 B5R0.5 CC(=C(C)Br)C TS07531 [0,1,0,0,0,0|2,0,1]=4 1161 B5R0.5 CC(=C(C)C)C TS71721 [0,1,0,0,0,0|2,0,1]=4 1162 B5R0.5 CC(=C(C)[NH3+])C TS04005 [0,1,0,0,0,0|2,0,1]=4 1163 B5R0.5 CC(=C(Cl)Cl)Cl TS07132 [0,1,0,0,0,0|2,0,1]=4 1164 B5R0.5 CC(=C)C(=C)C TS71685 [0,1,0,0,0,0|2,0,1]=4 1165 B5R0.5 CC(=C)C(=O)C TS03485 [0,1,0,0,0,0|1,0,1]=3 1166 B5R0.5 CC(=C)C(=O)Cl TS56226 [0,1,0,0,0,0|1,0,1]=3 1167 B5R0.5 CC(=C)C(=O)F TS03570 [0,1,0,0,0,0|1,0,1]=3 1168 B5R0.5 CC(=C)C(=O)N TS71737 [0,1,0,0,0,0|1,0,1]=3 1169 B5R0.5 CC(=C)C(=O)O TS56224 [0,1,0,0,0,0|0,0,1]=2 1170 B5R0.5 CC(=C)C(=O)[O-] TS03649 [0,1,0,0,0,0|0,0,2]=3 1171 B5R0.5 CC(=C)C(=O)[O-] TS04134 [0,1,0,0,0,0|0,0,2]=3 1172 B5R0.5 CC(=C)C(=O)[O-] TS17588 [0,1,0,0,0,0|0,0,2]=3 1173 B5R0.5 CC(=C)C(=O)[O-] TS17954 [0,1,0,0,0,0|0,0,2]=3 1174 B5R0.5 CC(=C)C(=O)[O-] TS20934 [0,1,0,0,0,0|0,0,2]=3 1175 B5R0.5 CC(=C)C(=O)[O-] TS25799 [0,1,0,0,0,0|0,0,2]=3 1176 B5R0.5 CC(=C)C(=O)[O-] TS35997 [0,1,0,0,0,0|0,0,2]=3 1177 B5R0.5 CC(=C)C(=O)[O-] TS45223 [0,1,0,0,0,0|0,0,2]=3 1178 B5R0.5 CC(=C)C(=O)[O-] TS60851 [0,1,0,0,0,0|0,0,2]=3 1179 B5R0.5 CC(=C)C(=O)[O-] TS67081 [0,1,0,0,0,0|0,0,2]=3 1180 B5R0.5 CC(=C)C(=O)[O-] TS68528 [0,1,0,0,0,0|0,0,2]=3 1181 B5R0.5 CC(=C)C(=O)[O-] TS70135 [0,1,0,0,0,0|0,0,2]=3 1182 B5R0.5 CC(=C)C(=O)[O-] TS78671 [0,1,0,0,0,0|0,0,2]=3 1183 B5R0.5 CC(=C)[N+](=O)[O-] TS03555 [0,1,0,0,0,0|1,0,2]=4 1184 B5R0.5 CC(=O)C(=O)C TS03530 [0,1,0,0,0,0|1,0,1]=3 1185 B5R0.5 CC(=O)C(=O)O TS71795 [0,1,0,0,0,0|0,0,1]=2 1186 B5R0.5 CC(=O)C(=O)[O-] TS04176 [0,1,0,0,0,0|0,0,2]=3 1187 B5R0.5 CC(=O)C(=O)[O-] TS36114 [0,1,0,0,0,0|0,0,2]=3 1188 B5R0.5 CC(=O)C(=O)[O-] TS44476 [0,1,0,0,0,0|0,0,2]=3 1189 B5R0.5 CC(=O)C(=O)[O-] TS71885 [0,1,0,0,0,0|0,0,2]=3 1190 B5R0.5 CC(=O)C(Cl)Cl TS36198 [0,1,0,0,0,0|2,0,0]=3 1191 B5R0.5 CC(=O)C(F)F TS03662 [0,1,0,0,0,0|2,0,0]=3 1192 B5R0.5 CC(=O)C(O)O TS46028 [0,1,0,0,0,0|2,0,0]=3 1193 B5R0.5 CC(=O)N(C)C TS03557 [0,1,0,0,0,0|2,0,0]=3 1194 B5R0.5 CC(=S)N(C)C TS04015 [0,1,0,0,0,0|2,1,0]=4 1195 B5R0.5 CC(C(=C)C)O TS71758 [0,1,0,0,0,0|2,0,0]=3 1196 B5R0.5 CC(C(=O)Br)Br TS93904 [0,1,0,0,0,0|1,0,0]=2 1197 B5R0.5 CC(C(=O)C)Br TS40972 [0,1,0,0,0,0|1,0,0]=2 1198 B5R0.5 CC(C(=O)C)Cl TS31738 [0,1,0,0,0,0|1,0,0]=2 1199 B5R0.5 CC(C(=O)C)F TS71828 [0,1,0,0,0,0|1,0,0]=2 1200 B5R0.5 CC(C(=O)C)O TS03581 [0,1,0,0,0,0|1,0,0]=2 1201 B5R0.5 CC(C(=O)C)S TS60015 [0,1,0,0,0,0|1,0,0]=2 1202 B5R0.5 CC(C(=O)Cl)Br TS45375 [0,1,0,0,0,0|1,0,0]=2 1203 B5R0.5 CC(C(=O)Cl)Cl TS36199 [0,1,0,0,0,0|1,0,0]=2 1204 B5R0.5 CC(C(=O)N)Br TS10108 [0,1,0,0,0,0|1,0,0]=2 1205 B5R0.5 CC(C(=O)N)Cl TS04116 [0,1,0,0,0,0|1,0,0]=2 1206 B5R0.5 CC(C(=O)N)O TS71825 [0,1,0,0,0,0|1,0,0]=2 1207 B5R0.5 CC(C(=O)O)Br TS10263 [0,1,0,0,0,0|0,0,0]=1 1208 B5R0.5 CC(C(=O)O)Br TS41327 [0,1,0,0,0,0|0,0,0]=1 1209 B5R0.5 CC(C(=O)O)Cl TS04158 [0,1,0,0,0,0|0,0,0]=1 1210 B5R0.5 CC(C(=O)O)F TS02005 [0,1,0,0,0,0|0,0,0]=1 1211 B5R0.5 CC(C(=O)O)N TS71826 [0,1,0,0,0,0|0,0,0]=1 1212 B5R0.5 CC(C(=O)O)O TS03619 [0,1,0,0,0,0|0,0,0]=1 1213 B5R0.5 CC(C(=O)O)O TS69796 [0,1,0,0,0,0|0,0,0]=1 1214 B5R0.5 CC(C(=O)O)S TS04090 [0,1,0,0,0,0|0,0,0]=1 1215 B5R0.5 CC(C(=O)[O-])O TS04267 [0,1,0,0,0,0|0,0,1]=2 1216 B5R0.5 CC(C(=O)[O-])O TS21805 [0,1,0,0,0,0|0,0,1]=2 1217 B5R0.5 CC(C(=O)[O-])O TS25875 [0,1,0,0,0,0|0,0,1]=2 1218 B5R0.5 CC(C(=O)[O-])O TS49421 [0,1,0,0,0,0|0,0,1]=2 1219 B5R0.5 CC(C(=O)[O-])O TS53785 [0,1,0,0,0,0|0,0,1]=2 1220 B5R0.5 CC(C(=O)[O-])O TS60724 [0,1,0,0,0,0|0,0,1]=2 1221 B5R0.5 CC(C(=O)[O-])O TS67922 [0,1,0,0,0,0|0,0,1]=2 1222 B5R0.5 CC(C(=O)[O-])O TS82339 [0,1,0,0,0,0|0,0,1]=2 1223 B5R0.5 CC(C(=O)[O-])O TS93633 [0,1,0,0,0,0|0,0,1]=2 1224 B5R0.5 CC(C(=O)[O-])O TS94684 [0,1,0,0,0,0|0,0,1]=2 1225 B5R0.5 CC(C(=O)[O-])O TS94690 [0,1,0,0,0,0|0,0,1]=2 1226 B5R0.5 CC(C(Br)Br)Br TS54386 [0,1,0,0,0,0|2,0,1]=4 1227 B5R0.5 CC(C(C)Br)Br TS21965 [0,1,0,0,0,0|2,0,1]=4 1228 B5R0.5 CC(C(C)O)O TS71844 [0,1,0,0,0,0|1,0,1]=3 1229 B5R0.5 CC(C(C)S)O TS04106 [0,1,0,0,0,0|1,0,1]=3 1230 B5R0.5 CC(C(C)S)S TS04935 [0,1,0,0,0,0|1,1,1]=4 1231 B5R0.5 CC(C(Cl)Br)Br TS25943 [0,1,0,0,0,0|2,0,1]=4 1232 B5R0.5 CC(C(Cl)Cl)Cl TS07384 [0,1,0,0,0,0|2,0,1]=4 1233 B5R0.5 CC(C)C(=C)C TS71720 [0,1,0,0,0,0|2,0,0]=3 1234 B5R0.5 CC(C)C(=N)N TS03540 [0,1,0,0,0,0|2,0,0]=3 1235 B5R0.5 CC(C)C(=N)N TS32540 [0,1,0,0,0,0|2,0,0]=3 1236 B5R0.5 CC(C)C(=O)Br TS40967 [0,1,0,0,0,0|1,0,0]=2 1237 B5R0.5 CC(C)C(=O)C TS39716 [0,1,0,0,0,0|1,0,0]=2 1238 B5R0.5 CC(C)C(=O)Cl TS31739 [0,1,0,0,0,0|1,0,0]=2 1239 B5R0.5 CC(C)C(=O)F TS71829 [0,1,0,0,0,0|1,0,0]=2 1240 B5R0.5 CC(C)C(=O)N TS01506 [0,1,0,0,0,0|1,0,0]=2 1241 B5R0.5 CC(C)C(=O)O TS85221 [0,1,0,0,0,0|0,0,0]=1 1242 B5R0.5 CC(C)C(=O)[O-] TS03660 [0,1,0,0,0,0|0,0,1]=2 1243 B5R0.5 CC(C)C(=O)[O-] TS04185 [0,1,0,0,0,0|0,0,1]=2 1244 B5R0.5 CC(C)C(=O)[O-] TS36146 [0,1,0,0,0,0|0,0,1]=2 1245 B5R0.5 CC(C)C(=O)[O-] TS44540 [0,1,0,0,0,0|0,0,1]=2 1246 B5R0.5 CC(C)C(C)Br TS08308 [0,1,0,0,0,0|2,0,1]=4 1247 B5R0.5 CC(C)C(C)C TS03547 [0,1,0,0,0,0|2,0,1]=4 1248 B5R0.5 CC(C)C(C)N TS71776 [0,1,0,0,0,0|2,0,1]=4 1249 B5R0.5 CC(C)C(C)O TS03594 [0,1,0,0,0,0|1,0,1]=3 1250 B5R0.5 CC(C)C(C)S TS31690 [0,1,0,0,0,0|1,1,1]=4 1251 B5R0.5 CC(C)N(C)C TS71780 [0,1,0,0,0,0|3,0,0]=4 1252 B5R0.5 CC(C)P(Cl)Cl TS07060 [0,1,0,0,0,0|3,0,0]=4 1253 B5R0.5 CC(C)[N+](=O)[O-] TS00110 [0,1,0,0,0,0|1,0,1]=3 1254 B5R0.5 CC(C)[SiH](C)C TS03987 [0,1,0,0,0,0|2,1,0]=4 1255 B5R0.5 CN(C(=S)N)N TS31710 [0,1,0,0,0,0|2,1,0]=4 1256 B5R0.5 CN(C)C(=N)N TS04993 [0,1,0,0,0,0|3,0,0]=4 1257 B5R0.5 CN(C)C(=O)Cl TS04117 [0,1,0,0,0,0|2,0,0]=3 1258 B5R0.5 CN(C)C(=O)N TS03592 [0,1,0,0,0,0|2,0,0]=3 1259 B5R0.5 CN(C)C(=O)O TS05907 [0,1,0,0,0,0|1,0,0]=2 1260 B5R0.5 CN(C)C(=S)Cl TS09052 [0,1,0,0,0,0|2,1,0]=4 1261 B5R0.5 CN(C)C(=S)[S-] TS04874 [0,1,0,0,0,0|1,2,0]=4 1262 B5R0.5 CN(C)C(=S)[S-] TS11177 [0,1,0,0,0,0|1,2,0]=4 1263 B5R0.5 CN(C)C(=S)[S-] TS40093 [0,1,0,0,0,0|1,2,0]=4 1264 B5R0.5 CN(C)C(=S)[S-] TS60533 [0,1,0,0,0,0|1,2,0]=4 1265 B5R0.5 CN(C)C(=[Se])N TS09993 [0,1,0,0,0,0|2,1,0]=4 1266 B5R0.5 C[C@@H](C(=O)N)N TS01517 [0,1,0,0,0,0|1,0,0]=2 1267 B5R0.5 C[C@@H](C(=O)N)N TS03590 [0,1,0,0,0,0|1,0,0]=2 1268 B5R0.5 C[C@@H](C(=O)N)O TS59860 [0,1,0,0,0,0|1,0,0]=2 1269 B5R0.5 C[C@@H](C(=O)O)Br TS10265 [0,1,0,0,0,0|0,0,0]=1 1270 B5R0.5 C[C@@H](C(=O)O)Cl TS47157 [0,1,0,0,0,0|0,0,0]=1 1271 B5R0.5 C[C@@H](C(=O)O)N TS01516 [0,1,0,0,0,0|0,0,0]=1 1272 B5R0.5 C[C@@H](C(=O)O)N TS03624 [0,1,0,0,0,0|0,0,0]=1 1273 B5R0.5 C[C@@H](C(=O)O)O TS39672 [0,1,0,0,0,0|0,0,0]=1 1274 B5R0.5 C[C@@H](C(=O)[O-])O TS04266 [0,1,0,0,0,0|0,0,1]=2 1275 B5R0.5 C[C@@H](C(=O)[O-])O TS05332 [0,1,0,0,0,0|0,0,1]=2 1276 B5R0.5 C[C@@H](C(=O)[O-])O TS28972 [0,1,0,0,0,0|0,0,1]=2 1277 B5R0.5 C[C@@H](C(C)C)N TS71787 [0,1,0,0,0,0|2,0,1]=4 1278 B5R0.5 C[C@@H]([C@H](C)O)O TS85107 [0,1,0,0,0,0|1,0,1]=3 1279 B5R0.5 C[C@H](C(=O)Cl)Cl TS94778 [0,1,0,0,0,0|1,0,0]=2 1280 B5R0.5 C[C@H](C(=O)N)N TS46606 [0,1,0,0,0,0|1,0,0]=2 1281 B5R0.5 C[C@H](C(=O)N)N TS60179 [0,1,0,0,0,0|1,0,0]=2 1282 B5R0.5 C[C@H](C(=O)N)O TS71820 [0,1,0,0,0,0|1,0,0]=2 1283 B5R0.5 C[C@H](C(=O)O)Br TS10264 [0,1,0,0,0,0|0,0,0]=1 1284 B5R0.5 C[C@H](C(=O)O)O TS03621 [0,1,0,0,0,0|0,0,0]=1 1285 B5R0.5 C[C@H](C(=O)[O-])O TS03708 [0,1,0,0,0,0|0,0,1]=2 1286 B5R0.5 C[C@H](C(C)C)N TS71786 [0,1,0,0,0,0|2,0,1]=4 1287 B5R0.5 C[C@H]([C@@H](C)O)O TS85106 [0,1,0,0,0,0|1,0,1]=3 1288 B5R0.5 C[C@H]([C@H](C)O)O TS71842 [0,1,0,0,0,0|1,0,1]=3 1289 B5R0.5 C[N+](=C(Cl)Cl)C TS42521 [0,1,0,0,0,0|3,0,0]=4 1290 B5R1.2 C1C(=O)CN1 TS03373 [0,0,0,1,0,0|2,0,0]=3 1291 B5R1.2 C1C(=O)CN1 TS46446 [0,0,0,1,0,0|2,0,0]=3 1292 B5R1.2 C1C(=O)CO1 TS70694 [0,0,0,1,0,0|2,0,0]=3 1293 B5R1.2 C1C(=O)CS1 TS90454 [0,0,0,1,0,0|2,0,0]=3 1294 B5R1.2 C1C(CN1)O TS00225 [0,0,0,1,0,0|2,0,1]=4 1295 B5R1.2 C1C(CN1)O TS65705 [0,0,0,1,0,0|2,0,1]=4 1296 B5R1.2 C1C(CO1)O TS02791 [0,0,0,1,0,0|2,0,1]=4 1297 B5R1.2 C1CC(=O)C1 TS01399 [0,0,0,1,0,0|1,0,0]=2 1298 B5R1.2 C1CC(C1)Br TS36910 [0,0,0,1,0,0|2,0,1]=4 1299 B5R1.2 C1CC(C1)Cl TS03632 [0,0,0,1,0,0|2,0,1]=4 1300 B5R1.2 C1CC(C1)N TS03375 [0,0,0,1,0,0|2,0,1]=4 1301 B5R1.2 C1CC(C1)N TS04122 [0,0,0,1,0,0|2,0,1]=4 1302 B5R1.2 C1CC(C1)O TS59758 [0,0,0,1,0,0|1,0,1]=3 1303 B5R1.2 C1CNC1=O TS55052 [0,0,0,1,0,0|1,0,0]=2 1304 B5R1.2 C1COC1=O TS71591 [0,0,0,1,0,0|0,0,0]=1 1305 B5R1.2 CC1CCN1 TS71588 [0,0,0,1,0,0|2,0,1]=4 1306 B5R1.3 C1C(O1)CBr TS06154 [0,0,0,1,0,0|2,0,1]=4 1307 B5R1.3 C1C(O1)CCl TS08941 [0,0,0,1,0,0|2,0,1]=4 1308 B5R1.3 C1C(O1)CCl TS94501 [0,0,0,1,0,0|2,0,1]=4 1309 B5R1.3 C1C(O1)CCl TS94502 [0,0,0,1,0,0|2,0,1]=4 1310 B5R1.3 C1C(O1)CF TS71640 [0,0,0,1,0,0|2,0,1]=4 1311 B5R1.3 C1C(O1)CO TS03389 [0,0,0,1,0,0|2,0,1]=4 1312 B5R1.3 C1[C@@H](O1)CCl TS00305 [0,0,0,1,0,0|2,0,1]=4 1313 B5R1.3 C1[C@@H](O1)CO TS00321 [0,0,0,1,0,0|2,0,1]=4 1314 B5R1.3 C1[C@H](O1)CCl TS46636 [0,0,0,1,0,0|2,0,1]=4 1315 B5R1.3 C1[C@H](O1)CO TS01969 [0,0,0,1,0,0|2,0,1]=4 1316 B5R1.3 CCC1CC1 TS03362 [0,0,0,1,0,0|2,0,1]=4 1317 B5R1.3 CCC1CO1 TS71603 [0,0,0,1,0,0|1,0,1]=3 1318 B5R1.3 CC[C@@H]1CO1 TS71607 [0,0,0,1,0,0|1,0,1]=3 1319 B5R1.3 CC[C@H]1CO1 TS71606 [0,0,0,1,0,0|1,0,1]=3 1320 B5R1.4 CC1C(O1)C TS71602 [0,0,0,1,0,0|1,0,1]=3 1321 B5R1.4 C[C@@H]1C[C@@H]1C TS03365 [0,0,0,1,0,0|2,0,1]=4 1322 B5R1.4 C[C@@H]1C[C@H]1C TS03366 [0,0,0,1,0,0|2,0,1]=4 1323 B5R1.4 C[C@@H]1[C@@H](O1)C TS71599 [0,0,0,1,0,0|1,0,1]=3 1324 B5R1.4 C[C@H]1[C@@H](O1)C TS71605 [0,0,0,1,0,0|1,0,1]=3 1325 B5R1.5 CC1(CC1)N TS04124 [0,0,0,1,0,0|2,0,1]=4 1326 B2R0.1 B(=O)[O-] TS36092 [2,0,0,0,0,0|1,0,1]=4 1327 B2R0.1 C(=N)N TS71676 [2,0,0,0,0,0|2,0,0]=4 1328 B2R0.1 C(=O)=O TS02398 [2,0,0,0,0,0|0,0,2]=4 1329 B2R0.1 C(=O)=S TS65585 [2,0,0,0,0,0|0,1,1]=4 1330 B2R0.1 C(=O)N TS02400 [2,0,0,0,0,0|1,0,0]=3 1331 B2R0.1 C(=O)O TS39869 [2,0,0,0,0,0|0,0,0]=2 1332 B2R0.1 C(=O)[O-] TS03484 [2,0,0,0,0,0|0,0,1]=3 1333 B2R0.1 C(=O)[O-] TS06636 [2,0,0,0,0,0|0,0,1]=3 1334 B2R0.1 C(=O)[O-] TS11483 [2,0,0,0,0,0|0,0,1]=3 1335 B2R0.1 C(=O)[O-] TS14123 [2,0,0,0,0,0|0,0,1]=3 1336 B2R0.1 C(=O)[O-] TS17364 [2,0,0,0,0,0|0,0,1]=3 1337 B2R0.1 C(=O)[O-] TS27938 [2,0,0,0,0,0|0,0,1]=3 1338 B2R0.1 C(=O)[O-] TS36462 [2,0,0,0,0,0|0,0,1]=3 1339 B2R0.1 C(=O)[O-] TS36467 [2,0,0,0,0,0|0,0,1]=3 1340 B2R0.1 C(=O)[O-] TS40943 [2,0,0,0,0,0|0,0,1]=3 1341 B2R0.1 C(=O)[O-] TS65786 [2,0,0,0,0,0|0,0,1]=3 1342 B2R0.1 C(=O)[O-] TS66360 [2,0,0,0,0,0|0,0,1]=3 1343 B2R0.1 C(=O)[O-] TS70847 [2,0,0,0,0,0|0,0,1]=3 1344 B2R0.1 C(=O)[O-] TS93976 [2,0,0,0,0,0|0,0,1]=3 1345 B2R0.1 C(Br)Br TS55845 [2,0,0,0,0,0|2,0,0]=4 1346 B2R0.1 C(Cl)Br TS16530 [2,0,0,0,0,0|2,0,0]=4 1347 B2R0.1 C(Cl)Cl TS71726 [2,0,0,0,0,0|2,0,0]=4 1348 B2R0.1 C(Cl)I TS13925 [2,0,0,0,0,0|2,0,0]=4 1349 B2R0.1 C(F)Br TS16532 [2,0,0,0,0,0|2,0,0]=4 1350 B2R0.1 C(F)Cl TS09624 [2,0,0,0,0,0|2,0,0]=4 1351 B2R0.1 C(F)F TS65564 [2,0,0,0,0,0|2,0,0]=4 1352 B2R0.1 C(I)I TS73691 [2,0,0,0,0,0|2,0,0]=4 1353 B2R0.1 C(N)N TS32370 [2,0,0,0,0,0|2,0,0]=4 1354 B2R0.1 C([SiH3])[SiH3] TS03411 [2,0,0,0,0,0|0,2,0]=4 1355 B2R0.1 C=C=O TS02390 [2,0,0,0,0,0|0,0,2]=4 1356 B2R0.1 C=CBr TS31748 [2,0,0,0,0,0|1,0,1]=4 1357 B2R0.1 C=CCl TS02531 [2,0,0,0,0,0|1,0,1]=4 1358 B2R0.1 C=CF TS65549 [2,0,0,0,0,0|1,0,1]=4 1359 B2R0.1 C=CI TS41326 [2,0,0,0,0,0|1,0,1]=4 1360 B2R0.1 C=NO TS02399 [2,0,0,0,0,0|1,0,1]=4 1361 B2R0.1 C=NO TS03451 [2,0,0,0,0,0|1,0,1]=4 1362 B2R0.1 C=[N+]=[N-] TS02391 [2,0,0,0,0,0|2,0,0]=4 1363 B2R0.1 CC#C TS02382 [2,0,0,0,0,0|0,0,2]=4 1364 B2R0.1 CC#N TS02387 [2,0,0,0,0,0|1,0,1]=4 1365 B2R0.1 CC#N TS60112 [2,0,0,0,0,0|1,0,1]=4 1366 B2R0.1 CC#N TS64602 [2,0,0,0,0,0|1,0,1]=4 1367 B2R0.1 CC=O TS02395 [2,0,0,0,0,0|0,0,0]=2 1368 B2R0.1 CC=O TS36438 [2,0,0,0,0,0|0,0,0]=2 1369 B2R0.1 CCBr TS04167 [2,0,0,0,0,0|1,0,0]=3 1370 B2R0.1 CCCl TS09480 [2,0,0,0,0,0|1,0,0]=3 1371 B2R0.1 CCF TS65558 [2,0,0,0,0,0|1,0,0]=3 1372 B2R0.1 CCI TS41565 [2,0,0,0,0,0|1,0,0]=3 1373 B2R0.1 CCN TS02401 [2,0,0,0,0,0|1,0,0]=3 1374 B2R0.1 CCN TS03452 [2,0,0,0,0,0|1,0,0]=3 1375 B2R0.1 CCN TS36096 [2,0,0,0,0,0|1,0,0]=3 1376 B2R0.1 CCO TS21133 [2,0,0,0,0,0|0,0,0]=2 1377 B2R0.1 CCO TS65550 [2,0,0,0,0,0|0,0,0]=2 1378 B2R0.1 CCS TS65693 [2,0,0,0,0,0|0,1,0]=3 1379 B2R0.1 CC[Al+2] TS36197 [2,0,0,0,0,0|1,0,0]=3 1380 B2R0.1 CC[O-] TS00270 [2,0,0,0,0,0|0,0,1]=3 1381 B2R0.1 CC[O-] TS05576 [2,0,0,0,0,0|0,0,1]=3 1382 B2R0.1 CC[O-] TS27940 [2,0,0,0,0,0|0,0,1]=3 1383 B2R0.1 CC[O-] TS32126 [2,0,0,0,0,0|0,0,1]=3 1384 B2R0.1 CC[O-] TS38732 [2,0,0,0,0,0|0,0,1]=3 1385 B2R0.1 CC[O-] TS41552 [2,0,0,0,0,0|0,0,1]=3 1386 B2R0.1 CC[O-] TS43571 [2,0,0,0,0,0|0,0,1]=3 1387 B2R0.1 CC[O-] TS43730 [2,0,0,0,0,0|0,0,1]=3 1388 B2R0.1 CC[O-] TS52593 [2,0,0,0,0,0|0,0,1]=3 1389 B2R0.1 CC[O-] TS60686 [2,0,0,0,0,0|0,0,1]=3 1390 B2R0.1 CC[O-] TS66325 [2,0,0,0,0,0|0,0,1]=3 1391 B2R0.1 CC[O-] TS67943 [2,0,0,0,0,0|0,0,1]=3 1392 B2R0.1 CC[O-] TS69560 [2,0,0,0,0,0|0,0,1]=3 1393 B2R0.1 CC[O-] TS71710 [2,0,0,0,0,0|0,0,1]=3 1394 B2R0.1 CC[O-] TS71935 [2,0,0,0,0,0|0,0,1]=3 1395 B2R0.1 CC[O-] TS74164 [2,0,0,0,0,0|0,0,1]=3 1396 B2R0.1 CC[O-] TS75274 [2,0,0,0,0,0|0,0,1]=3 1397 B2R0.1 CC[SiH3] TS65592 [2,0,0,0,0,0|0,1,0]=3 1398 B2R0.1 CNC TS03517 [2,0,0,0,0,0|1,0,1]=4 1399 B2R0.1 CNC TS32687 [2,0,0,0,0,0|1,0,1]=4 1400 B2R0.1 CNC TS39850 [2,0,0,0,0,0|1,0,1]=4 1401 B2R0.1 CNC TS39851 [2,0,0,0,0,0|1,0,1]=4 1402 B2R0.1 CNN TS34585 [2,0,0,0,0,0|2,0,0]=4 1403 B2R0.1 CNO TS71706 [2,0,0,0,0,0|1,0,0]=3 1404 B2R0.1 CON TS01812 [2,0,0,0,0,0|2,0,0]=4 1405 B2R0.1 CSC TS34589 [2,0,0,0,0,0|1,0,1]=4 1406 B2R0.1 CSC TS39372 [2,0,0,0,0,0|1,0,1]=4 1407 B2R0.1 C[Al+]C TS71866 [2,0,0,0,0,0|1,0,1]=4 1408 B2R0.1 C[Cd]C TS37675 [2,0,0,0,0,0|1,0,1]=4 1409 B2R0.1 C[Hg]Br TS35825 [2,0,0,0,0,0|2,0,0]=4 1410 B2R0.1 C[Hg]C TS53101 [2,0,0,0,0,0|1,0,1]=4 1411 B2R0.1 C[Hg]Cl TS28143 [2,0,0,0,0,0|2,0,0]=4 1412 B2R0.1 C[Hg]I TS78611 [2,0,0,0,0,0|2,0,0]=4 1413 B2R0.1 C[Mg]I TS94239 [2,0,0,0,0,0|2,0,0]=4 1414 B2R0.1 C[N+]#[C-] TS02386 [2,0,0,0,0,0|1,0,1]=4 1415 B2R0.1 C[N-]C TS61417 [2,0,0,0,0,0|1,0,1]=4 1416 B2R0.1 C[N-]C TS65562 [2,0,0,0,0,0|1,0,1]=4 1417 B2R0.1 C[Se]C TS31788 [2,0,0,0,0,0|1,0,1]=4 1418 B2R0.1 C[SiH2]C TS65591 [2,0,0,0,0,0|0,1,1]=4 1419 B2R0.1 C[Zn]C TS03703 [2,0,0,0,0,0|1,0,1]=4 1420 B2R0.1 N(=O)O TS65553 [2,0,0,0,0,0|1,0,0]=3 1421 B2R0.1 N(=O)[O-] TS05701 [2,0,0,0,0,0|1,0,1]=4 1422 B2R0.1 N(=O)[O-] TS09673 [2,0,0,0,0,0|1,0,1]=4 1423 B2R0.1 N(=O)[O-] TS53385 [2,0,0,0,0,0|1,0,1]=4 1424 B2R0.1 N(=O)[O-] TS71732 [2,0,0,0,0,0|1,0,1]=4 1425 B2R0.1 O=S=O TS65849 [2,0,0,0,0,0|1,0,1]=4 1426 B2R0.1 O=[Al-]=O TS03453 [2,0,0,0,0,0|1,0,1]=4 1427 B2R0.1 O=[Bi]Cl TS68419 [2,0,0,0,0,0|2,0,0]=4 1428 B2R0.1 O=[ClH]=O TS02924 [2,0,0,0,0,0|1,0,1]=4 1429 B2R0.1 O=[Er]F TS38310 [2,0,0,0,0,0|2,0,0]=4 1430 B2R0.1 O=[Mo]=O TS05297 [2,0,0,0,0,0|1,0,1]=4 1431 B2R0.1 O=[Os]=O TS23426 [2,0,0,0,0,0|1,0,1]=4 1432 B2R0.1 O=[Pb]=O TS26330 [2,0,0,0,0,0|1,0,1]=4 1433 B2R0.1 O=[Pt]=O TS00247 [2,0,0,0,0,0|1,0,1]=4 1434 B2R0.1 O=[Re]=O TS22387 [2,0,0,0,0,0|1,0,1]=4 1435 B2R0.1 O=[Se]=O TS31869 [2,0,0,0,0,0|1,0,1]=4 1436 B2R0.1 O=[Si]=O TS65586 [2,0,0,0,0,0|0,1,1]=4 1437 B2R0.1 O=[Si]=O TS78645 [2,0,0,0,0,0|0,1,1]=4 1438 B2R0.1 O=[Sn]=O TS09981 [2,0,0,0,0,0|1,0,1]=4 1439 B2R0.1 O=[Tb]F TS51730 [2,0,0,0,0,0|2,0,0]=4 1440 B2R0.1 O=[Te]=O TS11189 [2,0,0,0,0,0|1,0,1]=4 1441 B2R0.1 O=[W]=O TS21957 [2,0,0,0,0,0|1,0,1]=4 1442 B2R0.1 O=[Yb]F TS43381 [2,0,0,0,0,0|2,0,0]=4 1443 B2R0.1 O[Al]=O TS02431 [2,0,0,0,0,0|1,0,0]=3 1444 B2R0.1 O[Cu]O TS31414 [2,0,0,0,0,0|1,0,1]=4 1445 B2R0.1 O[PH2]=O TS00245 [2,0,0,0,0,0|1,0,0]=3 1446 B2R0.1 [Li]C=C TS65547 [2,0,0,0,0,0|1,0,1]=4 1447 B2R0.1 [O-]Cl=O TS00268 [2,0,0,0,0,0|1,0,1]=4 1448 B2R0.1 [O-]P=O TS27247 [2,0,0,0,0,0|1,0,1]=4 1449 B2R0.1 [O-][Al]=O TS02679 [2,0,0,0,0,0|1,0,1]=4 1450 B2R0.1 [O-][Al]=O TS06773 [2,0,0,0,0,0|1,0,1]=4 1451 B2R0.1 [O-][PH2]=O TS15407 [2,0,0,0,0,0|1,0,1]=4 1452 B2R0.1 [O-][PH2]=O TS31722 [2,0,0,0,0,0|1,0,1]=4 1453 B2R0.1 [O-][PH2]=O TS40923 [2,0,0,0,0,0|1,0,1]=4 1454 B2R0.1 [O-][PH2]=O TS43304 [2,0,0,0,0,0|1,0,1]=4 1455 B2R0.1 [O-][PH2]=O TS71694 [2,0,0,0,0,0|1,0,1]=4 1456 B2R0.1 [O-][PH2]=O TS79557 [2,0,0,0,0,0|1,0,1]=4 1457 B2R0.1 [O-][PH2]=O TS94100 [2,0,0,0,0,0|1,0,1]=4 1458 B4R0.2 C#CCCN TS31717 [1,1,0,0,0,0|1,0,1]=4 1459 B4R0.2 C#CCCO TS09504 [1,1,0,0,0,0|0,0,2]=4 1460 B4R0.2 C(C=CBr)Br TS37833 [1,1,0,0,0,0|1,0,1]=4 1461 B4R0.2 C(C=CCl)Cl TS04226 [1,1,0,0,0,0|1,0,1]=4 1462 B4R0.2 C(C=CCl)Cl TS04227 [1,1,0,0,0,0|1,0,1]=4 1463 B4R0.2 C(C=CCl)Cl TS92961 [1,1,0,0,0,0|1,0,1]=4 1464 B4R0.2 C(C=O)C=O TS71592 [1,1,0,0,0,0|0,0,1]=3 1465 B4R0.2 C(CBr)CBr TS46797 [1,1,0,0,0,0|1,0,1]=4 1466 B4R0.2 C(CBr)CI TS27842 [1,1,0,0,0,0|1,0,1]=4 1467 B4R0.2 C(CCl)C#N TS03611 [1,1,0,0,0,0|1,0,1]=4 1468 B4R0.2 C(CCl)C=O TS71867 [1,1,0,0,0,0|0,0,0]=2 1469 B4R0.2 C(CCl)CBr TS46925 [1,1,0,0,0,0|1,0,1]=4 1470 B4R0.2 C(CCl)CCl TS31994 [1,1,0,0,0,0|1,0,1]=4 1471 B4R0.2 C(CF)CBr TS37464 [1,1,0,0,0,0|1,0,1]=4 1472 B4R0.2 C(CF)CF TS71664 [1,1,0,0,0,0|1,0,1]=4 1473 B4R0.2 C(CI)CI TS93960 [1,1,0,0,0,0|1,0,1]=4 1474 B4R0.2 C(CN)C#N TS03335 [1,1,0,0,0,0|1,0,1]=4 1475 B4R0.2 C(CN)CBr TS09494 [1,1,0,0,0,0|1,0,1]=4 1476 B4R0.2 C(CN)CCl TS00183 [1,1,0,0,0,0|1,0,1]=4 1477 B4R0.2 C(CN)CF TS04405 [1,1,0,0,0,0|1,0,1]=4 1478 B4R0.2 C(CN)CN TS07879 [1,1,0,0,0,0|1,0,1]=4 1479 B4R0.2 C(CN)CN TS34480 [1,1,0,0,0,0|1,0,1]=4 1480 B4R0.2 C(CN)CN TS40489 [1,1,0,0,0,0|1,0,1]=4 1481 B4R0.2 C(CN)CO TS04258 [1,1,0,0,0,0|0,0,1]=3 1482 B4R0.2 C(CN)CO TS08858 [1,1,0,0,0,0|0,0,1]=3 1483 B4R0.2 C(CO)C#N TS02797 [1,1,0,0,0,0|0,0,2]=4 1484 B4R0.2 C(CO)CBr TS59604 [1,1,0,0,0,0|0,0,1]=3 1485 B4R0.2 C(CO)CCl TS02021 [1,1,0,0,0,0|0,0,1]=3 1486 B4R0.2 C(CO)CF TS00151 [1,1,0,0,0,0|0,0,1]=3 1487 B4R0.2 C(CO)CI TS70633 [1,1,0,0,0,0|0,0,1]=3 1488 B4R0.2 C(CO)CO TS00379 [1,1,0,0,0,0|0,0,1]=3 1489 B4R0.2 C(CO)NN TS55378 [1,1,0,0,0,0|1,0,1]=4 1490 B4R0.2 C(CP)CP TS04129 [1,1,0,0,0,0|1,0,1]=4 1491 B4R0.2 C(CS)C#N TS71771 [1,1,0,0,0,0|1,0,1]=4 1492 B4R0.2 C(CS)CCl TS31868 [1,1,0,0,0,0|0,1,1]=4 1493 B4R0.2 C(CS)CS TS04153 [1,1,0,0,0,0|0,1,1]=4 1494 B4R0.2 C=CCC#C TS66005 [1,1,0,0,0,0|1,0,1]=4 1495 B4R0.2 C=CCC#N TS70615 [1,1,0,0,0,0|1,0,1]=4 1496 B4R0.2 C=CCC=C TS70907 [1,1,0,0,0,0|1,0,1]=4 1497 B4R0.2 C=CCCBr TS03033 [1,1,0,0,0,0|1,0,0]=3 1498 B4R0.2 C=CCCCl TS03638 [1,1,0,0,0,0|1,0,0]=3 1499 B4R0.2 C=CCCN TS01596 [1,1,0,0,0,0|1,0,0]=3 1500 B4R0.2 C=CCCN TS04120 [1,1,0,0,0,0|1,0,0]=3 1501 B4R0.2 C=CCCO TS71598 [1,1,0,0,0,0|1,0,0]=3 1502 B4R0.2 C=CCNN TS55729 [1,1,0,0,0,0|2,0,0]=4 1503 B4R0.2 C=CCON TS31812 [1,1,0,0,0,0|2,0,0]=4 1504 B4R0.2 C=CC[Mg]Br TS07129 [1,1,0,0,0,0|2,0,0]=4 1505 B4R0.2 C=CC[Pd]Cl TS79784 [1,1,0,0,0,0|2,0,0]=4 1506 B4R0.2 C=CNC=O TS03372 [1,1,0,0,0,0|0,0,2]=4 1507 B4R0.2 C=COC=O TS71590 [1,1,0,0,0,0|0,0,2]=4 1508 B4R0.2 CC#CCO TS03272 [1,1,0,0,0,0|0,0,2]=4 1509 B4R0.2 CC=CC#C TS66004 [1,1,0,0,0,0|1,0,1]=4 1510 B4R0.2 CC=CC=C TS06116 [1,1,0,0,0,0|1,0,1]=4 1511 B4R0.2 CC=CC=C TS71007 [1,1,0,0,0,0|1,0,1]=4 1512 B4R0.2 CC=CC=O TS16977 [1,1,0,0,0,0|0,0,1]=3 1513 B4R0.2 CC=CCCl TS03634 [1,1,0,0,0,0|1,0,1]=4 1514 B4R0.2 CC=CCN TS01395 [1,1,0,0,0,0|1,0,1]=4 1515 B4R0.2 CC=CCO TS71604 [1,1,0,0,0,0|0,0,1]=3 1516 B4R0.2 CC=COC TS71611 [1,1,0,0,0,0|0,0,1]=3 1517 B4R0.2 CC=C[Mg]Br TS40351 [1,1,0,0,0,0|1,0,1]=4 1518 B4R0.2 CCC#CBr TS05800 [1,1,0,0,0,0|1,0,1]=4 1519 B4R0.2 CCC#CC TS03009 [1,1,0,0,0,0|1,0,1]=4 1520 B4R0.2 CCC#CI TS47811 [1,1,0,0,0,0|1,0,1]=4 1521 B4R0.2 CCC=C=C TS70908 [1,1,0,0,0,0|1,0,0]=3 1522 B4R0.2 CCC=CBr TS33033 [1,1,0,0,0,0|1,0,0]=3 1523 B4R0.2 CCC=CC TS03361 [1,1,0,0,0,0|1,0,0]=3 1524 B4R0.2 CCC=CCl TS03636 [1,1,0,0,0,0|1,0,0]=3 1525 B4R0.2 CCC=CCl TS03637 [1,1,0,0,0,0|1,0,0]=3 1526 B4R0.2 CCC=NS TS31707 [1,1,0,0,0,0|0,1,0]=3 1527 B4R0.2 CCCC#C TS70989 [1,1,0,0,0,0|1,0,1]=4 1528 B4R0.2 CCCC#N TS03176 [1,1,0,0,0,0|1,0,1]=4 1529 B4R0.2 CCCC=O TS71609 [1,1,0,0,0,0|0,0,0]=2 1530 B4R0.2 CCCCBr TS37077 [1,1,0,0,0,0|1,0,1]=4 1531 B4R0.2 CCCCBr TS93069 [1,1,0,0,0,0|1,0,1]=4 1532 B4R0.2 CCCCC TS71613 [1,1,0,0,0,0|1,0,1]=4 1533 B4R0.2 CCCCCl TS39594 [1,1,0,0,0,0|1,0,1]=4 1534 B4R0.2 CCCCF TS71643 [1,1,0,0,0,0|1,0,1]=4 1535 B4R0.2 CCCCI TS48513 [1,1,0,0,0,0|1,0,1]=4 1536 B4R0.2 CCCCN TS03383 [1,1,0,0,0,0|1,0,1]=4 1537 B4R0.2 CCCCN TS04172 [1,1,0,0,0,0|1,0,1]=4 1538 B4R0.2 CCCCO TS03407 [1,1,0,0,0,0|0,0,1]=3 1539 B4R0.2 CCCCS TS71854 [1,1,0,0,0,0|0,1,1]=4 1540 B4R0.2 CCCC[O-] TS31364 [1,1,0,0,0,0|0,0,2]=4 1541 B4R0.2 CCCC[O-] TS64270 [1,1,0,0,0,0|0,0,2]=4 1542 B4R0.2 CCCC[O-] TS66591 [1,1,0,0,0,0|0,0,2]=4 1543 B4R0.2 CCCC[O-] TS67287 [1,1,0,0,0,0|0,0,2]=4 1544 B4R0.2 CCCC[O-] TS82799 [1,1,0,0,0,0|0,0,2]=4 1545 B4R0.2 CCCC[O-] TS83727 [1,1,0,0,0,0|0,0,2]=4 1546 B4R0.2 CCCC[S-] TS31943 [1,1,0,0,0,0|0,1,1]=4 1547 B4R0.2 CCCC[Si] TS71817 [1,1,0,0,0,0|1,0,1]=4 1548 B4R0.2 CCCC[Zn+] TS19474 [1,1,0,0,0,0|1,0,1]=4 1549 B4R0.2 CCCNC TS03381 [1,1,0,0,0,0|1,0,1]=4 1550 B4R0.2 CCCOC TS03404 [1,1,0,0,0,0|0,0,1]=3 1551 B4R0.2 CCCO[NH3+] TS04256 [1,1,0,0,0,0|0,0,1]=3 1552 B4R0.2 CCCSC TS71857 [1,1,0,0,0,0|0,1,1]=4 1553 B4R0.2 CCC[Mg]Br TS07380 [1,1,0,0,0,0|1,0,1]=4 1554 B4R0.2 CCC[Mg]Cl TS31623 [1,1,0,0,0,0|1,0,1]=4 1555 B4R0.2 CCC[Zn]Br TS50817 [1,1,0,0,0,0|1,0,1]=4 1556 B4R0.2 CCN=C=O TS01458 [1,1,0,0,0,0|0,0,1]=3 1557 B4R0.2 CCN=C=S TS71772 [1,1,0,0,0,0|0,1,1]=4 1558 B4R0.2 CCNC=O TS03379 [1,1,0,0,0,0|0,0,0]=2 1559 B4R0.2 CCNCC TS03384 [1,1,0,0,0,0|1,0,1]=4 1560 B4R0.2 CCNCC TS04169 [1,1,0,0,0,0|1,0,1]=4 1561 B4R0.2 CCNCC TS05835 [1,1,0,0,0,0|1,0,1]=4 1562 B4R0.2 CCNCC TS10368 [1,1,0,0,0,0|1,0,1]=4 1563 B4R0.2 CCNCC TS12959 [1,1,0,0,0,0|1,0,1]=4 1564 B4R0.2 CCOC#C TS71444 [1,1,0,0,0,0|1,0,1]=4 1565 B4R0.2 CCOC=C TS71601 [1,1,0,0,0,0|1,0,0]=3 1566 B4R0.2 CCOC=O TS03393 [1,1,0,0,0,0|0,0,0]=2 1567 B4R0.2 CCOCC TS03401 [1,1,0,0,0,0|1,0,1]=4 1568 B4R0.2 CCOCC TS42371 [1,1,0,0,0,0|1,0,1]=4 1569 B4R0.2 CCOCC TS43884 [1,1,0,0,0,0|1,0,1]=4 1570 B4R0.2 CCOCC TS68115 [1,1,0,0,0,0|1,0,1]=4 1571 B4R0.2 CCOCC TS79120 [1,1,0,0,0,0|1,0,1]=4 1572 B4R0.2 CCOCCl TS39832 [1,1,0,0,0,0|1,0,1]=4 1573 B4R0.2 CCON=O TS71627 [1,1,0,0,0,0|1,0,0]=3 1574 B4R0.2 CCPCC TS71830 [1,1,0,0,0,0|1,0,1]=4 1575 B4R0.2 CCSC#N TS71770 [1,1,0,0,0,0|1,0,1]=4 1576 B4R0.2 CCSC=C TS71813 [1,1,0,0,0,0|1,0,0]=3 1577 B4R0.2 CCSCC TS71853 [1,1,0,0,0,0|1,0,1]=4 1578 B4R0.2 CCSSC TS04155 [1,1,0,0,0,0|1,1,0]=4 1579 B4R0.2 CC[Al+]CC TS32445 [1,1,0,0,0,0|1,0,1]=4 1580 B4R0.2 CC[Al+]CC TS36486 [1,1,0,0,0,0|1,0,1]=4 1581 B4R0.2 CC[Cd]CC TS45221 [1,1,0,0,0,0|1,0,1]=4 1582 B4R0.2 CC[Ga+]CC TS42641 [1,1,0,0,0,0|1,0,1]=4 1583 B4R0.2 CC[GeH2]CC TS36741 [1,1,0,0,0,0|1,0,1]=4 1584 B4R0.2 CC[Hg]CC TS68206 [1,1,0,0,0,0|1,0,1]=4 1585 B4R0.2 CC[Mg]CC TS71690 [1,1,0,0,0,0|1,0,1]=4 1586 B4R0.2 CC[N-]CC TS71656 [1,1,0,0,0,0|1,0,1]=4 1587 B4R0.2 CC[Se]CC TS37078 [1,1,0,0,0,0|1,0,1]=4 1588 B4R0.2 CC[SiH2]CC TS71816 [1,1,0,0,0,0|1,0,1]=4 1589 B4R0.2 CC[Te]CC TS15549 [1,1,0,0,0,0|1,0,1]=4 1590 B4R0.2 CC[Zn]CC TS04983 [1,1,0,0,0,0|1,0,1]=4 1591 B4R0.2 CNCC#N TS03334 [1,1,0,0,0,0|1,0,1]=4 1592 B4R0.2 CNCC#N TS12514 [1,1,0,0,0,0|1,0,1]=4 1593 B4R0.2 CNCC#N TS56312 [1,1,0,0,0,0|1,0,1]=4 1594 B4R0.2 CNCCN TS03408 [1,1,0,0,0,0|1,0,1]=4 1595 B4R0.2 CNCCO TS00099 [1,1,0,0,0,0|0,0,1]=3 1596 B4R0.2 COCC#C TS09815 [1,1,0,0,0,0|1,0,1]=4 1597 B4R0.2 COCC#N TS03371 [1,1,0,0,0,0|1,0,1]=4 1598 B4R0.2 COCC=C TS94286 [1,1,0,0,0,0|1,0,0]=3 1599 B4R0.2 COCC=O TS03388 [1,1,0,0,0,0|0,0,0]=2 1600 B4R0.2 COCCBr TS65036 [1,1,0,0,0,0|1,0,1]=4 1601 B4R0.2 COCCBr TS93982 [1,1,0,0,0,0|1,0,1]=4 1602 B4R0.2 COCCCl TS03687 [1,1,0,0,0,0|1,0,1]=4 1603 B4R0.2 COCCN TS71632 [1,1,0,0,0,0|1,0,1]=4 1604 B4R0.2 COCCO TS71642 [1,1,0,0,0,0|0,0,1]=3 1605 B4R0.2 COCC[O-] TS03754 [1,1,0,0,0,0|0,0,2]=4 1606 B4R0.2 COCC[O-] TS44727 [1,1,0,0,0,0|0,0,2]=4 1607 B4R0.2 COCC[O-] TS45853 [1,1,0,0,0,0|0,0,2]=4 1608 B4R0.2 COCOC TS08721 [1,1,0,0,0,0|1,0,1]=4 1609 B4R0.2 CSCC=C TS71811 [1,1,0,0,0,0|1,0,0]=3 1610 B4R0.2 CSCCCl TS31867 [1,1,0,0,0,0|1,0,1]=4 1611 B4R0.2 CSCCCl TS93571 [1,1,0,0,0,0|1,0,1]=4 1612 B4R0.2 CSCCN TS03646 [1,1,0,0,0,0|1,0,1]=4 1613 B4R0.2 CSCCO TS71862 [1,1,0,0,0,0|0,0,1]=3 1614 B4R0.2 CSCSC TS04154 [1,1,0,0,0,0|2,0,0]=4 1615 B4R0.2 [2H]OCCC TS65595 [1,1,0,0,0,0|0,0,1]=3 1616 B4R0.2 [Li]CCCC TS39912 [1,1,0,0,0,0|1,0,1]=4 1617 B4R0.3 CC(C)(C)O TS00104 [1,1,0,0,0,0|1,0,1]=4 1618 B4R0.3 CP(=O)(C)C TS03651 [1,1,0,0,0,0|2,0,0]=4 1619 B4R0.3 CP(=O)(C)Cl TS31987 [1,1,0,0,0,0|2,0,0]=4 1620 B4R0.3 CP(=O)(Cl)Cl TS05796 [1,1,0,0,0,0|2,0,0]=4 1621 B4R0.3 CS(=O)(=O)C TS03673 [1,1,0,0,0,0|1,0,1]=4 1622 B4R0.3 CS(=O)(=O)Cl TS39891 [1,1,0,0,0,0|1,0,1]=4 1623 B4R0.3 CS(=O)(=O)F TS03755 [1,1,0,0,0,0|1,0,1]=4 1624 B4R0.3 CS(=O)(=O)N TS03695 [1,1,0,0,0,0|1,0,1]=4 1625 B4R0.3 CS(=O)(=O)O TS39890 [1,1,0,0,0,0|1,0,0]=3 1626 B4R0.3 CS(=O)(=O)[O-] TS04699 [1,1,0,0,0,0|1,0,1]=4 1627 B4R0.3 CS(=O)(=O)[O-] TS05916 [1,1,0,0,0,0|1,0,1]=4 1628 B4R0.3 CS(=O)(=O)[O-] TS38362 [1,1,0,0,0,0|1,0,1]=4 1629 B4R0.3 CS(=O)(=O)[O-] TS44594 [1,1,0,0,0,0|1,0,1]=4 1630 B4R0.3 CS(=O)(=O)[O-] TS53027 [1,1,0,0,0,0|1,0,1]=4 1631 B4R0.3 CS(=O)(=O)[O-] TS60760 [1,1,0,0,0,0|1,0,1]=4 1632 B4R0.3 CS(=O)(=O)[O-] TS63314 [1,1,0,0,0,0|1,0,1]=4 1633 B4R0.3 CS(=O)(=O)[O-] TS72593 [1,1,0,0,0,0|1,0,1]=4 1634 B4R0.3 CS(=O)(=O)[O-] TS80945 [1,1,0,0,0,0|1,0,1]=4 1635 B4R0.3 C[As](=O)(C)C TS06032 [1,1,0,0,0,0|2,0,0]=4 1636 B4R0.3 C[As](=O)(C)[O-] TS13770 [1,1,0,0,0,0|1,0,1]=4 1637 B4R0.3 C[As](=O)(C)[O-] TS44435 [1,1,0,0,0,0|1,0,1]=4 1638 B4R0.3 C[As](=O)([O-])[O-] TS42374 [1,1,0,0,0,0|1,0,1]=4 1639 B4R0.3 C[Re](=O)(=O)=O TS62705 [1,1,0,0,0,0|1,0,1]=4 1640 B4R0.3 C[S+](=O)(C)C TS22689 [1,1,0,0,0,0|2,0,0]=4 1641 B4R0.3 C[S+](=O)(C)C TS59469 [1,1,0,0,0,0|2,0,0]=4 1642 B4R0.3 NS(=O)(=O)O TS03747 [1,1,0,0,0,0|2,0,0]=4 1643 B4R0.3 NS(=O)(=O)O TS10667 [1,1,0,0,0,0|2,0,0]=4 1644 B4R0.3 OCl(=O)(=O)=O TS03891 [1,1,0,0,0,0|2,0,0]=4 1645 B4R0.3 OI(=O)(=O)=O TS52570 [1,1,0,0,0,0|2,0,0]=4 1646 B4R0.3 OP(=O)(F)F TS31571 [1,1,0,0,0,0|2,0,0]=4 1647 B4R0.3 OP(=O)(O)F TS31481 [1,1,0,0,0,0|2,0,0]=4 1648 B4R0.3 OP(=O)(O)O TS21991 [1,1,0,0,0,0|2,0,0]=4 1649 B4R0.3 OP(=O)(O)O TS31416 [1,1,0,0,0,0|2,0,0]=4 1650 B4R0.3 OP(=O)(O)O TS41839 [1,1,0,0,0,0|2,0,0]=4 1651 B4R0.3 OP(=O)(O)[O-] TS06036 [1,1,0,0,0,0|2,0,0]=4 1652 B4R0.3 OP(=O)(O)[O-] TS10817 [1,1,0,0,0,0|2,0,0]=4 1653 B4R0.3 OP(=O)(O)[O-] TS28273 [1,1,0,0,0,0|2,0,0]=4 1654 B4R0.3 OP(=O)(O)[O-] TS31652 [1,1,0,0,0,0|2,0,0]=4 1655 B4R0.3 OP(=O)(O)[O-] TS32141 [1,1,0,0,0,0|2,0,0]=4 1656 B4R0.3 OP(=O)(O)[O-] TS32400 [1,1,0,0,0,0|2,0,0]=4 1657 B4R0.3 OP(=O)(O)[O-] TS41567 [1,1,0,0,0,0|2,0,0]=4 1658 B4R0.3 OP(=O)(O)[O-] TS53554 [1,1,0,0,0,0|2,0,0]=4 1659 B4R0.3 OP(=O)(O)[O-] TS68298 [1,1,0,0,0,0|2,0,0]=4 1660 B4R0.3 OP(=O)(O)[O-] TS79964 [1,1,0,0,0,0|2,0,0]=4 1661 B4R0.3 OP(=O)(O)[O-] TS92959 [1,1,0,0,0,0|2,0,0]=4 1662 B4R0.3 OP(=O)(O)[O-] TS94734 [1,1,0,0,0,0|2,0,0]=4 1663 B4R0.3 OP(=O)(O)[O-] TS94738 [1,1,0,0,0,0|2,0,0]=4 1664 B4R0.3 OP(=O)([O-])[O-] TS06033 [1,1,0,0,0,0|2,0,0]=4 1665 B4R0.3 OP(=O)([O-])[O-] TS06157 [1,1,0,0,0,0|2,0,0]=4 1666 B4R0.3 OP(=O)([O-])[O-] TS06628 [1,1,0,0,0,0|2,0,0]=4 1667 B4R0.3 OP(=O)([O-])[O-] TS13108 [1,1,0,0,0,0|2,0,0]=4 1668 B4R0.3 OP(=O)([O-])[O-] TS13460 [1,1,0,0,0,0|2,0,0]=4 1669 B4R0.3 OP(=O)([O-])[O-] TS48475 [1,1,0,0,0,0|2,0,0]=4 1670 B4R0.3 OP(=O)([O-])[O-] TS52625 [1,1,0,0,0,0|2,0,0]=4 1671 B4R0.3 OP(=O)([O-])[O-] TS54601 [1,1,0,0,0,0|2,0,0]=4 1672 B4R0.3 OP(=O)([O-])[O-] TS92958 [1,1,0,0,0,0|2,0,0]=4 1673 B4R0.3 OS(=O)(=O)Cl TS04649 [1,1,0,0,0,0|2,0,0]=4 1674 B4R0.3 OS(=O)(=O)F TS31487 [1,1,0,0,0,0|2,0,0]=4 1675 B4R0.3 OS(=O)(=O)O TS10398 [1,1,0,0,0,0|2,0,0]=4 1676 B4R0.3 OS(=O)(=O)O TS11257 [1,1,0,0,0,0|2,0,0]=4 1677 B4R0.3 OS(=O)(=O)O TS11362 [1,1,0,0,0,0|2,0,0]=4 1678 B4R0.3 OS(=O)(=O)O TS11811 [1,1,0,0,0,0|2,0,0]=4 1679 B4R0.3 OS(=O)(=O)O TS22357 [1,1,0,0,0,0|2,0,0]=4 1680 B4R0.3 OS(=O)(=O)O TS33761 [1,1,0,0,0,0|2,0,0]=4 1681 B4R0.3 OS(=O)(=O)O TS36465 [1,1,0,0,0,0|2,0,0]=4 1682 B4R0.3 OS(=O)(=O)O TS40160 [1,1,0,0,0,0|2,0,0]=4 1683 B4R0.3 OS(=O)(=O)O TS43786 [1,1,0,0,0,0|2,0,0]=4 1684 B4R0.3 OS(=O)(=O)O TS49079 [1,1,0,0,0,0|2,0,0]=4 1685 B4R0.3 OS(=O)(=O)O TS94083 [1,1,0,0,0,0|2,0,0]=4 1686 B4R0.3 OS(=O)(=O)[O-] TS06213 [1,1,0,0,0,0|2,0,0]=4 1687 B4R0.3 OS(=O)(=O)[O-] TS61505 [1,1,0,0,0,0|2,0,0]=4 1688 B4R0.3 OS(=O)(=O)[O-] TS73458 [1,1,0,0,0,0|2,0,0]=4 1689 B4R0.3 OS(=O)(=O)[O-] TS76383 [1,1,0,0,0,0|2,0,0]=4 1690 B4R0.3 OS(=O)(=O)[O-] TS94081 [1,1,0,0,0,0|2,0,0]=4 1691 B4R0.3 O[As](=O)(O)[O-] TS33543 [1,1,0,0,0,0|2,0,0]=4 1692 B4R0.3 O[As](=O)([O-])[O-] TS28578 [1,1,0,0,0,0|2,0,0]=4 1693 B4R0.3 O[Cr](=O)(=O)O TS32313 [1,1,0,0,0,0|2,0,0]=4 1694 B4R0.3 O[Mo](=O)(=O)O TS84984 [1,1,0,0,0,0|2,0,0]=4 1695 B4R0.3 O[Re](=O)(=O)=O TS62963 [1,1,0,0,0,0|2,0,0]=4 1696 B4R0.3 O[Se](=O)(=O)O TS07062 [1,1,0,0,0,0|2,0,0]=4 1697 B4R0.3 O[Te](=O)(=O)O TS24778 [1,1,0,0,0,0|2,0,0]=4 1698 B4R0.3 O[W](=O)(=O)O TS27974 [1,1,0,0,0,0|2,0,0]=4 1699 B4R0.3 [16OH]P(=[16O])([16OH])[16O-] TS94074 [1,1,0,0,0,0|2,0,0]=4 1700 B6R0.1 C(C#N)C(=O)NN TS01397 [0,2,0,0,0,0|1,0,1]=4 1701 B6R0.1 C(C(=O)NCO)Cl TS64943 [0,2,0,0,0,0|1,0,0]=3 1702 B6R0.1 C(C(=O)OCO)N TS05233 [0,2,0,0,0,0|1,0,0]=3 1703 B6R0.1 C(CCl)C(CCl)O TS06819 [0,2,0,0,0,0|1,0,1]=4 1704 B6R0.1 C(CN)C(=O)CN TS13627 [0,2,0,0,0,0|1,0,0]=3 1705 B6R0.1 C(CO)C(=O)CN TS37313 [0,2,0,0,0,0|1,0,0]=3 1706 B6R0.1 C(CO)C(CO)O TS04081 [0,2,0,0,0,0|0,0,2]=4 1707 B6R0.1 C(CO)C(CO)O TS94708 [0,2,0,0,0,0|0,0,2]=4 1708 B6R0.1 C(CO)[C@@H](CO)O TS94709 [0,2,0,0,0,0|0,0,2]=4 1709 B6R0.1 C(CO)[C@H](CCl)O TS36026 [0,2,0,0,0,0|1,0,1]=4 1710 B6R0.1 C(CO)[C@H](CO)O TS04082 [0,2,0,0,0,0|0,0,2]=4 1711 B6R0.1 C=CC(=O)NCO TS31539 [0,2,0,0,0,0|0,0,2]=4 1712 B6R0.1 C=CC(=O)OC=C TS03768 [0,2,0,0,0,0|0,0,2]=4 1713 B6R0.1 C=COC(=O)CBr TS42840 [0,2,0,0,0,0|1,0,0]=3 1714 B6R0.1 C=COC(=O)CCl TS32444 [0,2,0,0,0,0|1,0,0]=3 1715 B6R0.1 C=COC(=O)CI TS44096 [0,2,0,0,0,0|1,0,0]=3 1716 B6R0.1 CC#CC(=O)OC TS03761 [0,2,0,0,0,0|0,0,1]=3 1717 B6R0.1 CC(=CCCl)C=O TS04765 [0,2,0,0,0,0|1,0,1]=4 1718 B6R0.1 CC(CCO)OC TS04039 [0,2,0,0,0,0|1,0,1]=4 1719 B6R0.1 CC(COC)OC TS94098 [0,2,0,0,0,0|1,0,1]=4 1720 B6R0.1 CC=C(C)CCO TS03864 [0,2,0,0,0,0|1,0,1]=4 1721 B6R0.1 CC=CC(=O)OC TS56315 [0,2,0,0,0,0|0,0,1]=3 1722 B6R0.1 CCC(=O)C=CC TS31436 [0,2,0,0,0,0|1,0,0]=3 1723 B6R0.1 CCC(=O)CC#N TS31393 [0,2,0,0,0,0|1,0,0]=3 1724 B6R0.1 CCC(=O)CSC TS32357 [0,2,0,0,0,0|0,1,0]=3 1725 B6R0.1 CCC(=O)NCC TS03904 [0,2,0,0,0,0|1,0,0]=3 1726 B6R0.1 CCC(=O)OC=C TS31498 [0,2,0,0,0,0|0,0,0]=2 1727 B6R0.1 CCC(=O)OCC TS03938 [0,2,0,0,0,0|0,0,0]=2 1728 B6R0.1 CCC(=O)SCC TS32362 [0,2,0,0,0,0|0,1,0]=3 1729 B6R0.1 CCC(C#CC)O TS31428 [0,2,0,0,0,0|1,0,1]=4 1730 B6R0.1 CCC(C)CC=O TS31513 [0,2,0,0,0,0|1,0,1]=4 1731 B6R0.1 CCC(C)CCO TS31615 [0,2,0,0,0,0|1,0,1]=4 1732 B6R0.1 CCC(C)ON=O TS31635 [0,2,0,0,0,0|1,0,1]=4 1733 B6R0.1 CCC(C=CC)O TS03868 [0,2,0,0,0,0|1,0,1]=4 1734 B6R0.1 CCC(CC#C)O TS31435 [0,2,0,0,0,0|1,0,1]=4 1735 B6R0.1 CCC(CC=C)O TS31532 [0,2,0,0,0,0|1,0,1]=4 1736 B6R0.1 CCC(COC)N TS04013 [0,2,0,0,0,0|1,0,1]=4 1737 B6R0.1 CCC(COC)O TS04038 [0,2,0,0,0,0|0,0,2]=4 1738 B6R0.1 CCC=C(C)C=O TS03779 [0,2,0,0,0,0|1,0,0]=3 1739 B6R0.1 CCCC(=C)C=O TS31425 [0,2,0,0,0,0|1,0,0]=3 1740 B6R0.1 CCCC(=C)CC TS03794 [0,2,0,0,0,0|2,0,0]=4 1741 B6R0.1 CCCC(=CC)C TS31455 [0,2,0,0,0,0|2,0,0]=4 1742 B6R0.1 CCCC(=O)CC TS31522 [0,2,0,0,0,0|1,0,0]=3 1743 B6R0.1 CCCC(=O)NN TS31598 [0,2,0,0,0,0|1,0,0]=3 1744 B6R0.1 CCCC(=O)OC TS03955 [0,2,0,0,0,0|0,0,0]=2 1745 B6R0.1 CCCC(=S)OC TS32358 [0,2,0,0,0,0|0,1,0]=3 1746 B6R0.1 CCCC(C#C)O TS31446 [0,2,0,0,0,0|1,0,1]=4 1747 B6R0.1 CCCC(C)C=O TS01565 [0,2,0,0,0,0|1,0,1]=4 1748 B6R0.1 CCCC(C)CO TS39282 [0,2,0,0,0,0|1,0,1]=4 1749 B6R0.1 CCCC(C=C)O TS03859 [0,2,0,0,0,0|1,0,1]=4 1750 B6R0.1 CCCC(CC)O TS31611 [0,2,0,0,0,0|1,0,1]=4 1751 B6R0.1 CCCC(CO)O TS04026 [0,2,0,0,0,0|0,0,2]=4 1752 B6R0.1 CCCN(C)N=O TS31599 [0,2,0,0,0,0|2,0,0]=4 1753 B6R0.1 CCC[C@@H](CO)N TS04002 [0,2,0,0,0,0|1,0,1]=4 1754 B6R0.1 CCC[C@@H](CO)O TS04042 [0,2,0,0,0,0|0,0,2]=4 1755 B6R0.1 CCC[C@H](CO)N TS04000 [0,2,0,0,0,0|1,0,1]=4 1756 B6R0.1 CCNC(=O)C=C TS03826 [0,2,0,0,0,0|1,0,0]=3 1757 B6R0.1 CCNC(=O)CCl TS04876 [0,2,0,0,0,0|1,0,0]=3 1758 B6R0.1 CCNC(=O)OC TS31636 [0,2,0,0,0,0|0,0,0]=2 1759 B6R0.1 CCOC(=O)C#C TS03762 [0,2,0,0,0,0|1,0,0]=3 1760 B6R0.1 CCOC(=O)C#N TS31469 [0,2,0,0,0,0|1,0,0]=3 1761 B6R0.1 CCOC(=O)C=C TS33216 [0,2,0,0,0,0|1,0,0]=3 1762 B6R0.1 CCOC(=O)C=O TS56148 [0,2,0,0,0,0|0,0,1]=3 1763 B6R0.1 CCOC(=O)CBr TS56141 [0,2,0,0,0,0|1,0,0]=3 1764 B6R0.1 CCOC(=O)CCl TS39825 [0,2,0,0,0,0|1,0,0]=3 1765 B6R0.1 CCOC(=O)CF TS65215 [0,2,0,0,0,0|1,0,0]=3 1766 B6R0.1 CCOC(=O)CN TS31646 [0,2,0,0,0,0|1,0,0]=3 1767 B6R0.1 CCOC(=O)CN TS33221 [0,2,0,0,0,0|1,0,0]=3 1768 B6R0.1 CCOC(=O)CO TS56147 [0,2,0,0,0,0|0,0,0]=2 1769 B6R0.1 CCOC(=O)CS TS01466 [0,2,0,0,0,0|0,1,0]=3 1770 B6R0.1 CCOC(=O)NC TS31637 [0,2,0,0,0,0|1,0,0]=3 1771 B6R0.1 CCOC(=O)NN TS59780 [0,2,0,0,0,0|1,0,0]=3 1772 B6R0.1 CCOC(=O)NO TS04067 [0,2,0,0,0,0|0,0,0]=2 1773 B6R0.1 CCOC(=O)OC TS31662 [0,2,0,0,0,0|0,0,0]=2 1774 B6R0.1 CCOC(=S)S[K] TS01641 [0,2,0,0,0,0|0,2,0]=4 1775 B6R0.1 CCOC(=S)S[Na] TS39945 [0,2,0,0,0,0|0,2,0]=4 1776 B6R0.1 CC[C@H](C)CCO TS31612 [0,2,0,0,0,0|1,0,1]=4 1777 B6R0.1 CNC(=O)CC#N TS55304 [0,2,0,0,0,0|1,0,1]=4 1778 B6R0.1 CNC(=S)NCO TS04826 [0,2,0,0,0,0|1,1,0]=4 1779 B6R0.1 CNCC(=O)OC TS01682 [0,2,0,0,0,0|0,0,0]=2 1780 B6R0.1 CNCC(CO)O TS04078 [0,2,0,0,0,0|0,0,2]=4 1781 B6R0.1 COC(=O)C=CN TS31544 [0,2,0,0,0,0|0,0,2]=4 1782 B6R0.1 COC(=O)CC#N TS31466 [0,2,0,0,0,0|0,0,1]=3 1783 B6R0.1 COC(=O)CC=C TS31502 [0,2,0,0,0,0|0,0,1]=3 1784 B6R0.1 COC(=O)CCBr TS56269 [0,2,0,0,0,0|0,0,0]=2 1785 B6R0.1 COC(=O)CCCl TS04939 [0,2,0,0,0,0|0,0,0]=2 1786 B6R0.1 COC(=O)CCN TS08577 [0,2,0,0,0,0|0,0,0]=2 1787 B6R0.1 COC(=O)CCO TS65233 [0,2,0,0,0,0|0,0,0]=2 1788 B6R0.1 COC(=O)CCS TS04824 [0,2,0,0,0,0|0,0,0]=2 1789 B6R0.1 COC(=O)CSC TS39398 [0,2,0,0,0,0|0,0,0]=2 1790 B6R0.1 COC(=O)C[N+]#[C-] TS31464 [0,2,0,0,0,0|0,0,1]=3 1791 B6R0.1 COC(=O)N=C=O TS03897 [0,2,0,0,0,0|1,0,1]=4 1792 B6R0.1 COCC(=O)OC TS39892 [0,2,0,0,0,0|0,0,0]=2 1793 B6R0.1 COCC(CCl)O TS36028 [0,2,0,0,0,0|1,0,1]=4 1794 B6R0.1 COCC(CF)O TS31763 [0,2,0,0,0,0|1,0,1]=4 1795 B6R0.1 COCC(CO)O TS04080 [0,2,0,0,0,0|0,0,2]=4 1796 B6R0.1 CSCC(CO)O TS32525 [0,2,0,0,0,0|0,0,2]=4 1797 B6R0.1 C[C@@H](CCO)CO TS04034 [0,2,0,0,0,0|1,0,1]=4 1798 B6R0.1 C[C@H](CCO)CO TS04033 [0,2,0,0,0,0|1,0,1]=4 1799 B6R0.2 B(CC(C)C)(O)O TS01505 [0,2,0,0,0,0|1,0,1]=4 1800 B6R0.2 C(C(=N)N)C(=O)N TS37135 [0,2,0,0,0,0|1,0,1]=4 1801 B6R0.2 C(C(=N)N)C(=O)O TS31589 [0,2,0,0,0,0|0,0,1]=3 1802 B6R0.2 C(C(=O)Cl)C(=O)Cl TS37463 [0,2,0,0,0,0|1,0,1]=4 1803 B6R0.2 C(C(=O)N)C(=O)N TS31588 [0,2,0,0,0,0|1,0,1]=4 1804 B6R0.2 C(C(=O)O)C(=O)O TS01463 [0,2,0,0,0,0|0,0,1]=3 1805 B6R0.2 C(C(=O)O)C(=O)O TS04061 [0,2,0,0,0,0|0,0,1]=3 1806 B6R0.2 C(C(=O)O)C(=O)O TS08896 [0,2,0,0,0,0|0,0,1]=3 1807 B6R0.2 C(C(=O)O)C(=O)O TS74524 [0,2,0,0,0,0|0,0,1]=3 1808 B6R0.2 C(C(=O)O)C(=O)[O-] TS37554 [0,2,0,0,0,0|0,0,1]=3 1809 B6R0.2 C(C(=O)[O-])C(=O)[O-] TS37547 [0,2,0,0,0,0|0,0,2]=4 1810 B6R0.2 C(C(F)F)C(=S)O TS37548 [0,2,0,0,0,0|0,1,0]=3 1811 B6R0.2 CC(=C)OC(=O)C TS03841 [0,2,0,0,0,0|1,0,1]=4 1812 B6R0.2 CC(=CC(=O)C)C TS31432 [0,2,0,0,0,0|1,0,1]=4 1813 B6R0.2 CC(=CC(=O)C)N TS03815 [0,2,0,0,0,0|1,0,1]=4 1814 B6R0.2 CC(=CC(=O)C)[O-] TS06421 [0,2,0,0,0,0|1,0,1]=4 1815 B6R0.2 CC(=CC(=O)C)[O-] TS31723 [0,2,0,0,0,0|1,0,1]=4 1816 B6R0.2 CC(=CC(=O)Cl)C TS04766 [0,2,0,0,0,0|1,0,1]=4 1817 B6R0.2 CC(=CC(=O)O)C TS03839 [0,2,0,0,0,0|0,0,1]=3 1818 B6R0.2 CC(=O)CC(=O)C TS03846 [0,2,0,0,0,0|1,0,0]=3 1819 B6R0.2 CC(=O)CC(=O)N TS31549 [0,2,0,0,0,0|1,0,0]=3 1820 B6R0.2 CC(=O)CC(=O)O TS31585 [0,2,0,0,0,0|0,0,0]=2 1821 B6R0.2 CC(=O)CC(=O)[O-] TS04127 [0,2,0,0,0,0|0,0,1]=3 1822 B6R0.2 CC(=O)CN(C)C TS31555 [0,2,0,0,0,0|1,0,0]=3 1823 B6R0.2 CC(=O)NC(=O)C TS31542 [0,2,0,0,0,0|1,0,1]=4 1824 B6R0.2 CC(=O)NC(=O)N TS03933 [0,2,0,0,0,0|1,0,1]=4 1825 B6R0.2 CC(=O)OC(=O)C TS31583 [0,2,0,0,0,0|1,0,1]=4 1826 B6R0.2 CC(=O)SC(=O)C TS04729 [0,2,0,0,0,0|1,0,1]=4 1827 B6R0.2 CC(=SC(=O)C)O TS05893 [0,2,0,0,0,0|1,0,1]=4 1828 B6R0.2 CC(C)CC(=C)C TS31451 [0,2,0,0,0,0|2,0,0]=4 1829 B6R0.2 CC(C)CC(=O)C TS31526 [0,2,0,0,0,0|1,0,0]=3 1830 B6R0.2 CC(C)CC(=O)Cl TS32446 [0,2,0,0,0,0|1,0,0]=3 1831 B6R0.2 CC(C)CC(=O)N TS31557 [0,2,0,0,0,0|1,0,0]=3 1832 B6R0.2 CC(C)CC(=O)O TS03936 [0,2,0,0,0,0|0,0,0]=2 1833 B6R0.2 CC(C)CC(=O)[O-] TS32589 [0,2,0,0,0,0|0,0,1]=3 1834 B6R0.2 CC(C)CC(C)O TS31610 [0,2,0,0,0,0|1,0,1]=4 1835 B6R0.2 CC(C)NC(=O)N TS31602 [0,2,0,0,0,0|1,0,0]=3 1836 B6R0.2 CC(C)OC(=O)C TS01509 [0,2,0,0,0,0|1,0,0]=3 1837 B6R0.2 CC(C)OC(=O)Cl TS59649 [0,2,0,0,0,0|1,0,0]=3 1838 B6R0.2 CC(C)OC(=O)N TS03993 [0,2,0,0,0,0|1,0,0]=3 1839 B6R0.2 CC(C)O[N+](=O)[O-] TS04064 [0,2,0,0,0,0|1,0,1]=4 1840 B6R0.2 CC(C=C(C)C)O TS03862 [0,2,0,0,0,0|2,0,0]=4 1841 B6R0.2 CC(CC(=C)C)O TS31505 [0,2,0,0,0,0|1,0,1]=4 1842 B6R0.2 CC(CC(=O)O)Cl TS04943 [0,2,0,0,0,0|0,0,0]=2 1843 B6R0.2 CC(CC(=O)O)O TS31666 [0,2,0,0,0,0|0,0,0]=2 1844 B6R0.2 CC(CC(=O)[O-])O TS94900 [0,2,0,0,0,0|0,0,1]=3 1845 B6R0.2 CC(CC(C)O)O TS04029 [0,2,0,0,0,0|1,0,1]=4 1846 B6R0.2 CC(CN(C)C)O TS04008 [0,2,0,0,0,0|1,0,1]=4 1847 B6R0.2 CC(OC(=O)Cl)Cl TS46935 [0,2,0,0,0,0|1,0,0]=3 1848 B6R0.2 CN(C)CC(=O)O TS08905 [0,2,0,0,0,0|0,0,0]=2 1849 B6R0.2 CN(C)CC(=O)O TS37315 [0,2,0,0,0,0|0,0,0]=2 1850 B6R0.2 CN(C)CC(=O)[O-] TS36048 [0,2,0,0,0,0|0,0,1]=3 1851 B6R0.2 CN(C)CC(=O)[O-] TS37510 [0,2,0,0,0,0|0,0,1]=3 1852 B6R0.2 CN(C)CC(=S)N TS09051 [0,2,0,0,0,0|1,1,0]=4 1853 B6R0.2 C[C@@H](CC(=O)O)N TS33131 [0,2,0,0,0,0|0,0,0]=2 1854 B6R0.2 C[C@@H](CC(=O)O)N TS37311 [0,2,0,0,0,0|0,0,0]=2 1855 B6R0.2 C[C@@H](CC(=O)O)O TS31673 [0,2,0,0,0,0|0,0,0]=2 1856 B6R0.2 C[C@@H](CC(=O)[O-])O TS05129 [0,2,0,0,0,0|0,0,1]=3 1857 B6R0.2 C[C@@H](CN(C)C)O TS04004 [0,2,0,0,0,0|1,0,1]=4 1858 B6R0.2 C[C@@H](C[C@H](C)O)O TS04035 [0,2,0,0,0,0|1,0,1]=4 1859 B6R0.2 C[C@H](CC(=O)O)N TS00214 [0,2,0,0,0,0|0,0,0]=2 1860 B6R0.2 C[C@H](CC(=O)[O-])O TS05130 [0,2,0,0,0,0|0,0,1]=3 1861 B6R0.2 C[C@H](C[C@@H](C)O)O TS04043 [0,2,0,0,0,0|1,0,1]=4 1862 B6R0.3 B(C(C)CC)(O)O TS85136 [0,2,0,0,0,0|1,0,1]=4 1863 B6R0.3 C#CC(C(=O)O)O TS31488 [0,2,0,0,0,0|0,0,1]=3 1864 B6R0.3 C(#N)C(C(=O)N)N TS32775 [0,2,0,0,0,0|1,0,1]=4 1865 B6R0.3 C(C(=O)C(=O)O)Br TS43180 [0,2,0,0,0,0|0,0,1]=3 1866 B6R0.3 C(C(=O)C(=O)O)Cl TS04936 [0,2,0,0,0,0|0,0,1]=3 1867 B6R0.3 C(C(=O)C(=O)[O-])F TS05303 [0,2,0,0,0,0|0,0,2]=4 1868 B6R0.3 C(C(=O)C(=O)[O-])O TS05302 [0,2,0,0,0,0|0,0,2]=4 1869 B6R0.3 C(C(=O)C(=O)[O-])S TS06647 [0,2,0,0,0,0|0,0,2]=4 1870 B6R0.3 C(C(=O)C(Br)Br)Br TS35743 [0,2,0,0,0,0|2,0,0]=4 1871 B6R0.3 C(C(=O)C(Cl)Cl)Cl TS11459 [0,2,0,0,0,0|2,0,0]=4 1872 B6R0.3 C(C(C(=O)Cl)Br)Br TS62878 [0,2,0,0,0,0|1,0,0]=3 1873 B6R0.3 C(C(C(=O)Cl)Cl)Cl TS11458 [0,2,0,0,0,0|1,0,0]=3 1874 B6R0.3 C(C(C(=O)N)Br)Br TS24999 [0,2,0,0,0,0|1,0,0]=3 1875 B6R0.3 C(C(C(=O)N)Cl)Cl TS06630 [0,2,0,0,0,0|1,0,0]=3 1876 B6R0.3 C(C(C(=O)O)Br)Br TS47141 [0,2,0,0,0,0|0,0,0]=2 1877 B6R0.3 C(C(C(=O)O)Cl)Cl TS06814 [0,2,0,0,0,0|0,0,0]=2 1878 B6R0.3 C(C(C(=O)O)N)Cl TS04985 [0,2,0,0,0,0|0,0,0]=2 1879 B6R0.3 C(C(C(=O)O)N)F TS31750 [0,2,0,0,0,0|0,0,0]=2 1880 B6R0.3 C(C(C(=O)O)N)N TS15412 [0,2,0,0,0,0|0,0,0]=2 1881 B6R0.3 C(C(C(=O)O)N)N TS55876 [0,2,0,0,0,0|0,0,0]=2 1882 B6R0.3 C(C(C(=O)O)N)O TS04070 [0,2,0,0,0,0|0,0,0]=2 1883 B6R0.3 C(C(C(=O)O)N)O TS93662 [0,2,0,0,0,0|0,0,0]=2 1884 B6R0.3 C(C(C(=O)O)O)Cl TS36024 [0,2,0,0,0,0|0,0,0]=2 1885 B6R0.3 C(C(C(=O)O)O)N TS55880 [0,2,0,0,0,0|0,0,0]=2 1886 B6R0.3 C(C(C(=O)O)O)O TS31726 [0,2,0,0,0,0|0,0,0]=2 1887 B6R0.3 C([C@@H](C(=O)N)N)O TS37447 [0,2,0,0,0,0|1,0,0]=3 1888 B6R0.3 C([C@@H](C(=O)O)Br)O TS12635 [0,2,0,0,0,0|0,0,0]=2 1889 B6R0.3 C([C@@H](C(=O)O)N)Cl TS04984 [0,2,0,0,0,0|0,0,0]=2 1890 B6R0.3 C([C@@H](C(=O)O)N)Cl TS42100 [0,2,0,0,0,0|0,0,0]=2 1891 B6R0.3 C([C@@H](C(=O)O)N)N TS01513 [0,2,0,0,0,0|0,0,0]=2 1892 B6R0.3 C([C@@H](C(=O)O)N)O TS04071 [0,2,0,0,0,0|0,0,0]=2 1893 B6R0.3 C([C@@H](C(=O)O)N)S TS85225 [0,2,0,0,0,0|0,0,0]=2 1894 B6R0.3 C([C@@H](C(=O)O)O)Cl TS05066 [0,2,0,0,0,0|0,0,0]=2 1895 B6R0.3 C([C@@H](C(=O)O)O)N TS04069 [0,2,0,0,0,0|0,0,0]=2 1896 B6R0.3 C([C@H](C(=O)O)N)Cl TS42101 [0,2,0,0,0,0|0,0,0]=2 1897 B6R0.3 C([C@H](C(=O)O)N)N TS01408 [0,2,0,0,0,0|0,0,0]=2 1898 B6R0.3 C([C@H](C(=O)O)N)N TS04022 [0,2,0,0,0,0|0,0,0]=2 1899 B6R0.3 C([C@H](C(=O)O)N)O TS07918 [0,2,0,0,0,0|0,0,0]=2 1900 B6R0.3 C([C@H](C(=O)O)N)S TS32459 [0,2,0,0,0,0|0,0,0]=2 1901 B6R0.3 C([C@H](C(=O)O)O)N TS04068 [0,2,0,0,0,0|0,0,0]=2 1902 B6R0.3 C=C(CBr)C(=O)O TS42841 [0,2,0,0,0,0|0,0,1]=3 1903 B6R0.3 C=CC(C(=O)O)N TS07917 [0,2,0,0,0,0|0,0,1]=3 1904 B6R0.3 C=C[C@@H](C(=O)O)N TS31547 [0,2,0,0,0,0|0,0,1]=3 1905 B6R0.3 C=C[C@H](C(=O)O)N TS31536 [0,2,0,0,0,0|0,0,1]=3 1906 B6R0.3 CC(=C)C(=O)NC TS03820 [0,2,0,0,0,0|1,0,1]=4 1907 B6R0.3 CC(=C)C(=O)OC TS31500 [0,2,0,0,0,0|0,0,1]=3 1908 B6R0.3 CC(=NO)C(=O)C TS31543 [0,2,0,0,0,0|1,0,1]=4 1909 B6R0.3 CC(=O)C(=O)OC TS31579 [0,2,0,0,0,0|0,0,1]=3 1910 B6R0.3 CC(=O)N(C)C=C TS59326 [0,2,0,0,0,0|2,0,0]=4 1911 B6R0.3 CC(=O)N(C)OC TS56410 [0,2,0,0,0,0|2,0,0]=4 1912 B6R0.3 CC(C(=O)C)SC TS32356 [0,2,0,0,0,0|1,0,0]=3 1913 B6R0.3 CC(C(=O)NN)O TS04020 [0,2,0,0,0,0|1,0,0]=3 1914 B6R0.3 CC(C(=O)O)NC TS31640 [0,2,0,0,0,0|0,0,0]=2 1915 B6R0.3 CC(C(=O)OC)Br TS12330 [0,2,0,0,0,0|0,0,0]=2 1916 B6R0.3 CC(C(=O)OC)Br TS93879 [0,2,0,0,0,0|0,0,0]=2 1917 B6R0.3 CC(C(=O)OC)Cl TS04944 [0,2,0,0,0,0|0,0,0]=2 1918 B6R0.3 CC(C(=O)OC)N TS55725 [0,2,0,0,0,0|0,0,0]=2 1919 B6R0.3 CC(C(=O)OC)O TS31661 [0,2,0,0,0,0|0,0,0]=2 1920 B6R0.3 CC(C(CO)O)O TS04083 [0,2,0,0,0,0|0,0,2]=4 1921 B6R0.3 CC(C)C(=N)OC TS37144 [0,2,0,0,0,0|1,0,0]=3 1922 B6R0.3 CC(C)C(=NO)N TS31597 [0,2,0,0,0,0|1,0,0]=3 1923 B6R0.3 CC(C)C(=O)CBr TS00029 [0,2,0,0,0,0|1,0,0]=3 1924 B6R0.3 CC(C)C(=O)NN TS31595 [0,2,0,0,0,0|1,0,0]=3 1925 B6R0.3 CC(C)C(=O)NN TS66305 [0,2,0,0,0,0|1,0,0]=3 1926 B6R0.3 CC(C)C(=O)NO TS03991 [0,2,0,0,0,0|0,0,0]=2 1927 B6R0.3 CC(C)C(=O)OC TS03944 [0,2,0,0,0,0|0,0,0]=2 1928 B6R0.3 CC(C)C(=O)O[SiH3] TS32367 [0,2,0,0,0,0|0,0,0]=2 1929 B6R0.3 CC(C)C(C#C)O TS31442 [0,2,0,0,0,0|1,0,1]=4 1930 B6R0.3 CC(C)C(C=C)O TS31528 [0,2,0,0,0,0|1,0,1]=4 1931 B6R0.3 CC(C)C(CO)S TS32435 [0,2,0,0,0,0|0,1,1]=4 1932 B6R0.3 CC(C)[C@@H](CO)N TS56215 [0,2,0,0,0,0|1,0,1]=4 1933 B6R0.3 CC(C)[C@H](CO)N TS08466 [0,2,0,0,0,0|1,0,1]=4 1934 B6R0.3 CC(C=C)C(=C)C TS03723 [0,2,0,0,0,0|2,0,0]=4 1935 B6R0.3 CC(C=C)C(=O)O TS03843 [0,2,0,0,0,0|0,0,0]=2 1936 B6R0.3 CC(CN)C(=O)O TS04859 [0,2,0,0,0,0|0,0,0]=2 1937 B6R0.3 CC(CN)C(=O)O TS31641 [0,2,0,0,0,0|0,0,0]=2 1938 B6R0.3 CC(CO)C(=O)C TS03953 [0,2,0,0,0,0|1,0,0]=3 1939 B6R0.3 CC(CO)[N+](=O)[O-] TS04065 [0,2,0,0,0,0|1,0,1]=4 1940 B6R0.3 CC(CS)C(=O)O TS04823 [0,2,0,0,0,0|0,0,0]=2 1941 B6R0.3 CC=C(C)C(=O)C TS31447 [0,2,0,0,0,0|1,0,1]=4 1942 B6R0.3 CC=C(C)C(=O)Cl TS04767 [0,2,0,0,0,0|1,0,1]=4 1943 B6R0.3 CC=C(C)C(=O)O TS03838 [0,2,0,0,0,0|0,0,1]=3 1944 B6R0.3 CC=C(C)C(=O)O TS03840 [0,2,0,0,0,0|0,0,1]=3 1945 B6R0.3 CC=C(C)C(C)C TS03807 [0,2,0,0,0,0|2,0,0]=4 1946 B6R0.3 CC=C(C)C(C)C TS31450 [0,2,0,0,0,0|2,0,0]=4 1947 B6R0.3 CCC(=C(F)F)F TS04180 [0,2,0,0,0,0|2,0,0]=4 1948 B6R0.3 CCC(=C)C(C)C TS03792 [0,2,0,0,0,0|2,0,0]=4 1949 B6R0.3 CCC(=O)C(=O)C TS03844 [0,2,0,0,0,0|0,0,1]=3 1950 B6R0.3 CCC(=O)C(=O)O TS31578 [0,2,0,0,0,0|0,0,0]=2 1951 B6R0.3 CCC(=O)C(=O)[O-] TS05001 [0,2,0,0,0,0|0,0,1]=3 1952 B6R0.3 CCC(=O)C(C)C TS31520 [0,2,0,0,0,0|1,0,0]=3 1953 B6R0.3 CCC(=O)N(C)C TS31553 [0,2,0,0,0,0|1,0,0]=3 1954 B6R0.3 CCC(C(=C)C)O TS31517 [0,2,0,0,0,0|1,0,1]=4 1955 B6R0.3 CCC(C(=O)Br)Br TS52915 [0,2,0,0,0,0|1,0,0]=3 1956 B6R0.3 CCC(C(=O)C)S TS32355 [0,2,0,0,0,0|1,0,0]=3 1957 B6R0.3 CCC(C(=O)Cl)Br TS48787 [0,2,0,0,0,0|1,0,0]=3 1958 B6R0.3 CCC(C(=O)Cl)Cl TS37465 [0,2,0,0,0,0|1,0,0]=3 1959 B6R0.3 CCC(C(=O)N)Cl TS04875 [0,2,0,0,0,0|1,0,0]=3 1960 B6R0.3 CCC(C(=O)N)N TS93870 [0,2,0,0,0,0|1,0,0]=3 1961 B6R0.3 CCC(C(=O)N)N TS94086 [0,2,0,0,0,0|1,0,0]=3 1962 B6R0.3 CCC(C(=O)O)Br TS12329 [0,2,0,0,0,0|0,0,0]=2 1963 B6R0.3 CCC(C(=O)O)Cl TS04940 [0,2,0,0,0,0|0,0,0]=2 1964 B6R0.3 CCC(C(=O)O)N TS45781 [0,2,0,0,0,0|0,0,0]=2 1965 B6R0.3 CCC(C(=O)O)N TS47470 [0,2,0,0,0,0|0,0,0]=2 1966 B6R0.3 CCC(C(=O)O)O TS31670 [0,2,0,0,0,0|0,0,0]=2 1967 B6R0.3 CCC(C(=O)[O-])O TS05131 [0,2,0,0,0,0|0,0,1]=3 1968 B6R0.3 CCC(C(C)C)O TS03969 [0,2,0,0,0,0|1,0,1]=4 1969 B6R0.3 CCC(C)C(=O)C TS31518 [0,2,0,0,0,0|1,0,0]=3 1970 B6R0.3 CCC(C)C(=O)Cl TS04836 [0,2,0,0,0,0|1,0,0]=3 1971 B6R0.3 CCC(C)C(=O)O TS03945 [0,2,0,0,0,0|0,0,0]=2 1972 B6R0.3 CCC(C)C(C)O TS03961 [0,2,0,0,0,0|1,0,1]=4 1973 B6R0.3 CCC([N+](=O)[O-])Cl TS04986 [0,2,0,0,0,0|1,0,1]=4 1974 B6R0.3 CCN(C)C(=O)Cl TS56394 [0,2,0,0,0,0|1,0,0]=3 1975 B6R0.3 CC[C@@H](C(=O)O)Br TS12334 [0,2,0,0,0,0|0,0,0]=2 1976 B6R0.3 CC[C@@H](C(=O)O)N TS46633 [0,2,0,0,0,0|0,0,0]=2 1977 B6R0.3 CC[C@@H](C(=O)O)O TS08124 [0,2,0,0,0,0|0,0,0]=2 1978 B6R0.3 CC[C@H](C(=O)N)N TS93011 [0,2,0,0,0,0|1,0,0]=3 1979 B6R0.3 CC[C@H](C(=O)O)Br TS12332 [0,2,0,0,0,0|0,0,0]=2 1980 B6R0.3 CC[C@H](C(=O)O)N TS64880 [0,2,0,0,0,0|0,0,0]=2 1981 B6R0.3 CN(C(=O)N)N=O TS01611 [0,2,0,0,0,0|2,0,0]=4 1982 B6R0.3 CN(C)C(=N)OC TS31601 [0,2,0,0,0,0|2,0,0]=4 1983 B6R0.3 CN(C)C(=O)C=C TS03821 [0,2,0,0,0,0|2,0,0]=4 1984 B6R0.3 CN(C)C(=O)CCl TS55283 [0,2,0,0,0,0|2,0,0]=4 1985 B6R0.3 CN(C)C(=O)CN TS00812 [0,2,0,0,0,0|2,0,0]=4 1986 B6R0.3 CN(C)C(=O)CN TS40036 [0,2,0,0,0,0|2,0,0]=4 1987 B6R0.3 CNC(=O)C(Cl)Cl TS06629 [0,2,0,0,0,0|2,0,0]=4 1988 B6R0.3 CNC(=O)C(F)Br TS45075 [0,2,0,0,0,0|2,0,0]=4 1989 B6R0.3 CNC(=O)C(F)Cl TS36077 [0,2,0,0,0,0|2,0,0]=4 1990 B6R0.3 CNC(=O)N(C)C TS31600 [0,2,0,0,0,0|2,0,0]=4 1991 B6R0.3 COC(=O)C(=C)F TS31658 [0,2,0,0,0,0|0,0,2]=4 1992 B6R0.3 COC(=O)C(=O)Cl TS34587 [0,2,0,0,0,0|1,0,1]=4 1993 B6R0.3 COC(=O)C(=O)N TS31629 [0,2,0,0,0,0|1,0,1]=4 1994 B6R0.3 COC(=O)C(Br)Br TS25148 [0,2,0,0,0,0|1,0,0]=3 1995 B6R0.3 COC(=O)C(Cl)Br TS50602 [0,2,0,0,0,0|1,0,0]=3 1996 B6R0.3 COC(=O)C(Cl)Cl TS06813 [0,2,0,0,0,0|1,0,0]=3 1997 B6R0.3 COC(=O)C(F)F TS56318 [0,2,0,0,0,0|1,0,0]=3 1998 B6R0.3 C[C@@H](C(=O)O)NC TS31642 [0,2,0,0,0,0|0,0,0]=2 1999 B6R0.3 C[C@@H](C(=O)O)NC TS37312 [0,2,0,0,0,0|0,0,0]=2 2000 B6R0.3 C[C@@H](C(=O)O)OC TS31663 [0,2,0,0,0,0|0,0,0]=2 2001 B6R0.3 C[C@@H](C(=O)OC)N TS37314 [0,2,0,0,0,0|0,0,0]=2 2002 B6R0.3 C[C@@H](C(=O)OC)O TS39673 [0,2,0,0,0,0|0,0,0]=2 2003 B6R0.3 C[C@@H](CO)C(=O)O TS04019 [0,2,0,0,0,0|0,0,0]=2 2004 B6R0.3 C[C@@H]([C@H](CO)N)O TS33038 [0,2,0,0,0,0|1,0,1]=4 2005 B6R0.3 C[C@H](C(=O)N)OC TS31644 [0,2,0,0,0,0|1,0,0]=3 2006 B6R0.3 C[C@H](C(=O)OC)F TS31728 [0,2,0,0,0,0|0,0,0]=2 2007 B6R0.3 C[C@H](C(=O)OC)N TS01765 [0,2,0,0,0,0|0,0,0]=2 2008 B6R0.3 C[C@H](C(=O)OC)O TS04018 [0,2,0,0,0,0|0,0,0]=2 2009 B6R0.3 C[C@H](CCl)C(=O)Cl TS06547 [0,2,0,0,0,0|1,0,0]=3 2010 B6R0.3 C[C@H](CO)C(=O)O TS31672 [0,2,0,0,0,0|0,0,0]=2 2011 B6R0.3 C[C@H]([C@@H](CO)N)O TS07680 [0,2,0,0,0,0|1,0,1]=4 2012 B6R0.4 B(CCCC)(O)O TS94589 [0,2,0,0,0,0|1,0,1]=4 2013 B6R0.4 C#CCCC(=O)O TS03769 [0,2,0,0,0,0|0,0,0]=2 2014 B6R0.4 C#CCOC(=O)Cl TS04763 [0,2,0,0,0,0|1,0,1]=4 2015 B6R0.4 C(C#CC(=O)O)O TS31490 [0,2,0,0,0,0|0,0,1]=3 2016 B6R0.4 C(C(=O)O)NC=O TS31630 [0,2,0,0,0,0|0,0,1]=3 2017 B6R0.4 C(C(=O)O)[Se]C#N TS42657 [0,2,0,0,0,0|0,0,1]=3 2018 B6R0.4 C(C=CC(=O)O)Br TS42842 [0,2,0,0,0,0|0,0,1]=3 2019 B6R0.4 C(C=CC(=O)O)O TS31577 [0,2,0,0,0,0|0,0,1]=3 2020 B6R0.4 C(CBr)C=C(F)F TS12949 [0,2,0,0,0,0|2,0,0]=4 2021 B6R0.4 C(CBr)OC(=O)Cl TS50601 [0,2,0,0,0,0|1,0,0]=3 2022 B6R0.4 C(CC(=O)Cl)CBr TS94813 [0,2,0,0,0,0|1,0,0]=3 2023 B6R0.4 C(CC(=O)Cl)CCl TS33157 [0,2,0,0,0,0|1,0,0]=3 2024 B6R0.4 C(CC(=O)N)CN TS37256 [0,2,0,0,0,0|1,0,0]=3 2025 B6R0.4 C(CC(=O)O)C#N TS02729 [0,2,0,0,0,0|0,0,0]=2 2026 B6R0.4 C(CC(=O)O)C=O TS31586 [0,2,0,0,0,0|0,0,0]=2 2027 B6R0.4 C(CC(=O)O)CBr TS39744 [0,2,0,0,0,0|0,0,0]=2 2028 B6R0.4 C(CC(=O)O)CI TS44433 [0,2,0,0,0,0|0,0,0]=2 2029 B6R0.4 C(CC(=O)O)CN TS31643 [0,2,0,0,0,0|0,0,0]=2 2030 B6R0.4 C(CC(=O)[O-])CO TS01692 [0,2,0,0,0,0|0,0,1]=3 2031 B6R0.4 C(CCl)NC(=O)N TS04945 [0,2,0,0,0,0|1,0,0]=3 2032 B6R0.4 C(CCl)OC(=O)Cl TS06815 [0,2,0,0,0,0|1,0,0]=3 2033 B6R0.4 C(CCl)OC(=O)N TS04987 [0,2,0,0,0,0|1,0,0]=3 2034 B6R0.4 C(CNC(=S)S)N TS37061 [0,2,0,0,0,0|0,2,0]=4 2035 B6R0.4 C(CO)NC(=O)N TS04021 [0,2,0,0,0,0|1,0,0]=3 2036 B6R0.4 C(CO[N+](=O)[O-])N TS31727 [0,2,0,0,0,0|1,0,1]=4 2037 B6R0.4 C(C[N+](=O)[O-])CO TS04073 [0,2,0,0,0,0|1,0,1]=4 2038 B6R0.4 C=CC=CC(=O)O TS03760 [0,2,0,0,0,0|0,0,2]=4 2039 B6R0.4 C=CCCC(=O)Cl TS71274 [0,2,0,0,0,0|1,0,0]=3 2040 B6R0.4 C=CCCC(=O)O TS31497 [0,2,0,0,0,0|0,0,0]=2 2041 B6R0.4 C=CCNC(=O)N TS03854 [0,2,0,0,0,0|1,0,1]=4 2042 B6R0.4 C=CCOC(=O)Cl TS33219 [0,2,0,0,0,0|1,0,1]=4 2043 B6R0.4 C=CCOC(=O)N TS31538 [0,2,0,0,0,0|1,0,1]=4 2044 B6R0.4 C=CCSC(=O)Cl TS06139 [0,2,0,0,0,0|1,0,1]=4 2045 B6R0.4 CC(=C)CCC=C TS03725 [0,2,0,0,0,0|2,0,0]=4 2046 B6R0.4 CC(=C)CCCO TS31523 [0,2,0,0,0,0|2,0,0]=4 2047 B6R0.4 CC(=CCCO)C TS03867 [0,2,0,0,0,0|2,0,0]=4 2048 B6R0.4 CC(=O)C=COC TS03850 [0,2,0,0,0,0|1,0,1]=4 2049 B6R0.4 CC(=O)CCC=C TS31440 [0,2,0,0,0,0|1,0,0]=3 2050 B6R0.4 CC(=O)CCCCl TS03260 [0,2,0,0,0,0|1,0,0]=3 2051 B6R0.4 CC(=O)CCCO TS39779 [0,2,0,0,0,0|1,0,0]=3 2052 B6R0.4 CC(=O)CCSC TS32359 [0,2,0,0,0,0|1,0,0]=3 2053 B6R0.4 CC(=O)NCCN TS31596 [0,2,0,0,0,0|1,0,0]=3 2054 B6R0.4 CC(=O)NCCO TS03989 [0,2,0,0,0,0|1,0,0]=3 2055 B6R0.4 CC(=O)NCCS TS04795 [0,2,0,0,0,0|1,0,0]=3 2056 B6R0.4 CC(=O)OCC#C TS03765 [0,2,0,0,0,0|1,0,1]=4 2057 B6R0.4 CC(=O)OCC=C TS03845 [0,2,0,0,0,0|1,0,1]=4 2058 B6R0.4 CC(=O)OCC=O TS31580 [0,2,0,0,0,0|1,0,1]=4 2059 B6R0.4 CC(=O)OCCBr TS55164 [0,2,0,0,0,0|1,0,0]=3 2060 B6R0.4 CC(=O)OCCCl TS04941 [0,2,0,0,0,0|1,0,0]=3 2061 B6R0.4 CC(=O)OCCO TS31665 [0,2,0,0,0,0|1,0,0]=3 2062 B6R0.4 CC(CCC=C)O TS31524 [0,2,0,0,0,0|1,0,1]=4 2063 B6R0.4 CC(CCCO)O TS04032 [0,2,0,0,0,0|1,0,1]=4 2064 B6R0.4 CC=NNC(=O)N TS31550 [0,2,0,0,0,0|1,0,1]=4 2065 B6R0.4 CCC#CC(=C)C TS03675 [0,2,0,0,0,0|2,0,0]=4 2066 B6R0.4 CCC#CC(=O)C TS31369 [0,2,0,0,0,0|1,0,0]=3 2067 B6R0.4 CCC#CC(=O)O TS03759 [0,2,0,0,0,0|0,0,0]=2 2068 B6R0.4 CCC#CC(C)O TS31430 [0,2,0,0,0,0|1,0,1]=4 2069 B6R0.4 CCC=CC(=O)C TS31424 [0,2,0,0,0,0|1,0,0]=3 2070 B6R0.4 CCC=CC(=O)O TS03448 [0,2,0,0,0,0|0,0,0]=2 2071 B6R0.4 CCC=CC(=O)O TS31503 [0,2,0,0,0,0|0,0,0]=2 2072 B6R0.4 CCCCC(=C)C TS31452 [0,2,0,0,0,0|2,0,0]=4 2073 B6R0.4 CCCCC(=O)Br TS42846 [0,2,0,0,0,0|1,0,0]=3 2074 B6R0.4 CCCCC(=O)C TS31529 [0,2,0,0,0,0|1,0,0]=3 2075 B6R0.4 CCCCC(=O)Cl TS32451 [0,2,0,0,0,0|1,0,0]=3 2076 B6R0.4 CCCCC(=O)N TS31554 [0,2,0,0,0,0|1,0,0]=3 2077 B6R0.4 CCCCC(=O)O TS03958 [0,2,0,0,0,0|0,0,0]=2 2078 B6R0.4 CCCCC(=O)[O-] TS04789 [0,2,0,0,0,0|0,0,1]=3 2079 B6R0.4 CCCCC(=O)[O-] TS30457 [0,2,0,0,0,0|0,0,1]=3 2080 B6R0.4 CCCCC(C)O TS31617 [0,2,0,0,0,0|1,0,1]=4 2081 B6R0.4 CCCC[C@@H](C)O TS03965 [0,2,0,0,0,0|1,0,1]=4 2082 B6R0.4 CCCC[C@H](C)O TS31613 [0,2,0,0,0,0|1,0,1]=4 2083 B6R0.4 CCCC[N+](=O)[O-] TS31647 [0,2,0,0,0,0|1,0,1]=4 2084 B6R0.4 CCCC[Sn](=O)O TS43570 [0,2,0,0,0,0|1,0,0]=3 2085 B6R0.4 CCCNC(=O)N TS31594 [0,2,0,0,0,0|1,0,0]=3 2086 B6R0.4 CCCNC(=O)[O-] TS31634 [0,2,0,0,0,0|0,0,1]=3 2087 B6R0.4 CCCOC(=O)C TS03949 [0,2,0,0,0,0|1,0,0]=3 2088 B6R0.4 CCCOC(=O)Cl TS55808 [0,2,0,0,0,0|1,0,0]=3 2089 B6R0.4 CCCON(=O)=O TS04066 [0,2,0,0,0,0|1,0,1]=4 2090 B6R0.4 CCCSC(=O)C TS32364 [0,2,0,0,0,0|1,0,0]=3 2091 B6R0.4 CCCSC(=O)Cl TS06329 [0,2,0,0,0,0|1,0,0]=3 2092 B6R0.4 CCNCC(=C)C TS03829 [0,2,0,0,0,0|2,0,0]=4 2093 B6R0.4 CCNCC(=O)O TS01936 [0,2,0,0,0,0|0,0,0]=2 2094 B6R0.4 CCOCC(=O)O TS16814 [0,2,0,0,0,0|0,0,0]=2 2095 B6R0.4 CCSCC(=O)C TS32360 [0,2,0,0,0,0|1,0,0]=3 2096 B6R0.4 CCSCC(=O)O TS04822 [0,2,0,0,0,0|0,0,0]=2 2097 B6R0.4 CNCCC(=O)O TS03990 [0,2,0,0,0,0|0,0,0]=2 2098 B6R0.4 COCCC(=O)O TS31660 [0,2,0,0,0,0|0,0,0]=2 2099 B6R0.4 C[C@@H](CCC=C)O TS03860 [0,2,0,0,0,0|1,0,1]=4 2100 B6R0.5 C(CBr)P(=O)(Cl)Cl TS57624 [0,2,0,0,0,0|2,0,0]=4 2101 B6R0.5 C(CBr)P(=O)(O)O TS16107 [0,2,0,0,0,0|1,0,0]=3 2102 B6R0.5 C(CBr)S(=O)(=O)[O-] TS43935 [0,2,0,0,0,0|1,0,1]=4 2103 B6R0.5 C(CCl)P(=O)(O)O TS40255 [0,2,0,0,0,0|1,0,0]=3 2104 B6R0.5 C(CCl)S(=O)(=O)Cl TS55275 [0,2,0,0,0,0|1,0,1]=4 2105 B6R0.5 C(CCl)S(=O)(=O)[O-] TS12300 [0,2,0,0,0,0|1,0,1]=4 2106 B6R0.5 C(CCl)S(=O)(=O)[O-] TS15368 [0,2,0,0,0,0|1,0,1]=4 2107 B6R0.5 C(CP(=O)(O)O)N TS36042 [0,2,0,0,0,0|1,0,0]=3 2108 B6R0.5 C(CP(=O)(O)O)O TS36098 [0,2,0,0,0,0|1,0,0]=3 2109 B6R0.5 C(CS(=O)(=O)N)N TS11336 [0,2,0,0,0,0|1,0,1]=4 2110 B6R0.5 C(CS(=O)(=O)O)N TS36057 [0,2,0,0,0,0|1,0,0]=3 2111 B6R0.5 C(CS(=O)(=O)O)O TS01831 [0,2,0,0,0,0|1,0,0]=3 2112 B6R0.5 C(CS(=O)(=O)[O-])O TS00264 [0,2,0,0,0,0|1,0,1]=4 2113 B6R0.5 C(CS(=O)(=O)[O-])O TS40070 [0,2,0,0,0,0|1,0,1]=4 2114 B6R0.5 C=CC[As](=O)(O)O TS42983 [0,2,0,0,0,0|1,0,1]=4 2115 B6R0.5 CC(C)(CCO)O TS04031 [0,2,0,0,0,0|1,0,1]=4 2116 B6R0.5 CC(C)(COC)O TS04041 [0,2,0,0,0,0|1,0,1]=4 2117 B6R0.5 CCCC(C)(C)O TS31616 [0,2,0,0,0,0|1,0,1]=4 2118 B6R0.5 CCCP(=O)(O)O TS05003 [0,2,0,0,0,0|1,0,0]=3 2119 B6R0.5 CCCS(=O)(=O)Cl TS06808 [0,2,0,0,0,0|1,0,1]=4 2120 B6R0.5 CCCS(=O)(=O)N TS32582 [0,2,0,0,0,0|1,0,1]=4 2121 B6R0.5 CCCS(=O)(=O)O TS47023 [0,2,0,0,0,0|1,0,0]=3 2122 B6R0.5 CCCS(=O)(=O)[O-] TS40368 [0,2,0,0,0,0|1,0,1]=4 2123 B6R0.5 CCCS(=O)(=O)[O-] TS93317 [0,2,0,0,0,0|1,0,1]=4 2124 B6R0.5 CCOP(=O)(Cl)Cl TS11641 [0,2,0,0,0,0|2,0,0]=4 2125 B6R0.5 CCOP(=O)([O-])[O-] TS34176 [0,2,0,0,0,0|1,0,1]=4 2126 B6R0.5 CCOS(=O)(=O)C TS05031 [0,2,0,0,0,0|1,0,1]=4 2127 B6R0.5 CCOS(=O)(=O)[O-] TS35303 [0,2,0,0,0,0|1,0,1]=4 2128 B6R0.5 CCOS(=O)(=O)[O-] TS67423 [0,2,0,0,0,0|1,0,1]=4 2129 B6R0.5 CCOS(=O)(=O)[O-] TS72904 [0,2,0,0,0,0|1,0,1]=4 2130 B6R0.5 CNCP(=O)(O)O TS36043 [0,2,0,0,0,0|1,0,0]=3 2131 B6R0.5 CS(=O)(=O)CCN TS32778 [0,2,0,0,0,0|1,0,1]=4 2132 B6R0.5 CS(=O)(=O)CCO TS05032 [0,2,0,0,0,0|1,0,1]=4 2133 B6R0.8 C(O)P(=O)(CO)O TS36099 [0,2,0,0,0,0|2,0,0]=4 2134 B6R0.8 CCC(C)(C#C)O TS31445 [0,2,0,0,0,0|1,0,1]=4 2135 B6R0.8 CCC(C)(C)CO TS31614 [0,2,0,0,0,0|1,0,1]=4 2136 B6R0.8 CCC(C)(C=C)O TS31507 [0,2,0,0,0,0|1,0,1]=4 2137 B6R0.8 CCC(C)(CC)O TS03968 [0,2,0,0,0,0|1,0,1]=4 2138 B6R0.8 CCP(=O)(CC)Cl TS37444 [0,2,0,0,0,0|2,0,0]=4 2139 B6R0.8 CCS(=O)(=O)C=C TS04821 [0,2,0,0,0,0|1,0,1]=4 2140 B6R0.8 CCS(=O)(=O)CC TS32523 [0,2,0,0,0,0|1,0,1]=4 2141 B6R0.8 COP(=O)(C)OC TS34588 [0,2,0,0,0,0|2,0,0]=4 2142 B6R0.8 COP(=O)(N)SC TS37488 [0,2,0,0,0,0|2,0,0]=4 2143 B6R0.8 COP(=O)(OC)Cl TS40256 [0,2,0,0,0,0|2,0,0]=4 2144 B6R0.8 COS(=O)(=O)OC TS36111 [0,2,0,0,0,0|2,0,0]=4 2145 B6R0.9 B(CC)(CC)OC TS31480 [0,2,0,0,0,0|2,0,0]=4 2146 B6R0.9 C(C(=NO)CO)O TS04072 [0,2,0,0,0,0|1,0,1]=4 2147 B6R0.9 CCC(=CC)C=O TS31448 [0,2,0,0,0,0|1,0,0]=3 2148 B6R0.9 CCC(CC)CO TS03962 [0,2,0,0,0,0|1,0,1]=4 2149 B6R0.9 CCC(CO)CO TS04037 [0,2,0,0,0,0|0,0,2]=4 2150 B6R0.9 CCC(OC)OC TS04030 [0,2,0,0,0,0|0,0,2]=4 2151 B6R0.9 CCN(CC)C=O TS39410 [0,2,0,0,0,0|2,0,0]=4 2152 B6R0.9 CCN(CC)CO TS04009 [0,2,0,0,0,0|2,0,0]=4 2153 B6R0.9 CCN(CC)N=O TS31604 [0,2,0,0,0,0|2,0,0]=4 2154 B6R0.9 CCP(OC)OC TS32484 [0,2,0,0,0,0|1,0,1]=4 2155 B6R0.9 COC(C=O)OC TS31669 [0,2,0,0,0,0|1,0,1]=4 2156 B6R0.7 C(=O)(C(Br)(Br)Br)Cl TS61202 [0,2,0,0,0,0|2,0,0]=4 2157 B6R0.7 C(=O)(C(Br)(Br)Br)O TS35941 [0,2,0,0,0,0|1,0,0]=3 2158 B6R0.7 C(=O)(C(Cl)(Br)Br)O TS63142 [0,2,0,0,0,0|1,0,0]=3 2159 B6R0.7 C(=O)(C(Cl)(Cl)Br)O TS20464 [0,2,0,0,0,0|1,0,0]=3 2160 B6R0.7 C(=O)(C(Cl)(Cl)Cl)Cl TS14858 [0,2,0,0,0,0|2,0,0]=4 2161 B6R0.7 C(=O)(C(Cl)(Cl)Cl)N TS42519 [0,2,0,0,0,0|2,0,0]=4 2162 B6R0.7 C(=O)(C(Cl)(Cl)Cl)O TS42644 [0,2,0,0,0,0|1,0,0]=3 2163 B6R0.7 C(=O)(C(Cl)(Cl)Cl)[O-] TS48784 [0,2,0,0,0,0|1,0,1]=4 2164 B6R0.7 C(=O)(C(F)(Br)Br)O TS25810 [0,2,0,0,0,0|1,0,0]=3 2165 B6R0.7 C(=O)(C(F)(F)Br)Br TS57010 [0,2,0,0,0,0|2,0,0]=4 2166 B6R0.7 C(=O)(C(F)(F)Br)Cl TS17722 [0,2,0,0,0,0|2,0,0]=4 2167 B6R0.7 C(=O)(C(F)(F)Br)F TS46213 [0,2,0,0,0,0|2,0,0]=4 2168 B6R0.7 C(=O)(C(F)(F)Br)N TS45711 [0,2,0,0,0,0|2,0,0]=4 2169 B6R0.7 C(=O)(C(F)(F)Br)O TS45887 [0,2,0,0,0,0|1,0,0]=3 2170 B6R0.7 C(=O)(C(F)(F)Cl)Br TS17721 [0,2,0,0,0,0|2,0,0]=4 2171 B6R0.7 C(=O)(C(F)(F)Cl)Cl TS07527 [0,2,0,0,0,0|2,0,0]=4 2172 B6R0.7 C(=O)(C(F)(F)Cl)F TS36726 [0,2,0,0,0,0|2,0,0]=4 2173 B6R0.7 C(=O)(C(F)(F)Cl)N TS05501 [0,2,0,0,0,0|2,0,0]=4 2174 B6R0.7 C(=O)(C(F)(F)Cl)O TS55807 [0,2,0,0,0,0|1,0,0]=3 2175 B6R0.7 C(=O)(C(F)(F)Cl)[O-] TS01690 [0,2,0,0,0,0|1,0,1]=4 2176 B6R0.7 C(=O)(C(F)(F)F)Cl TS36725 [0,2,0,0,0,0|2,0,0]=4 2177 B6R0.7 C(=O)(C(F)(F)F)F TS04566 [0,2,0,0,0,0|2,0,0]=4 2178 B6R0.7 C(=O)(C(F)(F)F)N TS31996 [0,2,0,0,0,0|2,0,0]=4 2179 B6R0.7 C(=O)(C(F)(F)F)O TS04409 [0,2,0,0,0,0|1,0,0]=3 2180 B6R0.7 C(=O)(C(F)(F)F)O TS51600 [0,2,0,0,0,0|1,0,0]=3 2181 B6R0.7 C(=O)(C(F)(F)F)[O-] TS04805 [0,2,0,0,0,0|1,0,1]=4 2182 B6R0.7 C(=O)(C(F)(F)F)[O-] TS05630 [0,2,0,0,0,0|1,0,1]=4 2183 B6R0.7 C(=O)(C(F)(F)F)[O-] TS23207 [0,2,0,0,0,0|1,0,1]=4 2184 B6R0.7 C(=O)(C(F)(F)F)[O-] TS35421 [0,2,0,0,0,0|1,0,1]=4 2185 B6R0.7 C(=O)(C(F)(F)F)[O-] TS39947 [0,2,0,0,0,0|1,0,1]=4 2186 B6R0.7 C(=O)(C(F)(F)F)[O-] TS41081 [0,2,0,0,0,0|1,0,1]=4 2187 B6R0.7 C(=O)(C(F)(F)F)[O-] TS55772 [0,2,0,0,0,0|1,0,1]=4 2188 B6R0.7 C(=O)(C(F)(F)F)[O-] TS62230 [0,2,0,0,0,0|1,0,1]=4 2189 B6R0.7 C(=O)(C(F)(F)F)[O-] TS70168 [0,2,0,0,0,0|1,0,1]=4 2190 B6R0.7 C(=O)(C(F)(F)F)[O-] TS80745 [0,2,0,0,0,0|1,0,1]=4 2191 B6R0.7 C(=O)(C(F)(F)F)[O-] TS82291 [0,2,0,0,0,0|1,0,1]=4 2192 B6R0.7 C(=O)(C(F)(F)F)[O-] TS83701 [0,2,0,0,0,0|1,0,1]=4 2193 B6R0.7 CC(=C)C(C)(C)C TS03795 [0,2,0,0,0,0|2,0,0]=4 2194 B6R0.7 CC(=C)C(C)(C)O TS03861 [0,2,0,0,0,0|2,0,0]=4 2195 B6R0.7 CC(=O)C(C)(C)C TS00117 [0,2,0,0,0,0|1,0,0]=3 2196 B6R0.7 CC(=O)C(C)(C)Cl TS32448 [0,2,0,0,0,0|1,0,0]=3 2197 B6R0.7 CC(=O)C(C)(C)O TS31591 [0,2,0,0,0,0|1,0,0]=3 2198 B6R0.7 CC(=O)C(Cl)(Cl)Cl TS11457 [0,2,0,0,0,0|2,0,0]=4 2199 B6R0.7 CC(=O)C(F)(F)F TS04264 [0,2,0,0,0,0|2,0,0]=4 2200 B6R0.7 CC(=O)[Si](C)(C)C TS04641 [0,2,0,0,0,0|1,1,0]=4 2201 B6R0.7 CC(C(=O)N)(F)F TS31789 [0,2,0,0,0,0|1,0,0]=3 2202 B6R0.7 CC(C(=O)O)(Cl)Cl TS06816 [0,2,0,0,0,0|0,0,0]=2 2203 B6R0.7 CC(C(=O)O)(F)F TS04179 [0,2,0,0,0,0|0,0,0]=2 2204 B6R0.7 CC(C(=O)[O-])(Cl)Cl TS42839 [0,2,0,0,0,0|0,0,1]=3 2205 B6R0.7 CC(C(C)(C)C)O TS03960 [0,2,0,0,0,0|1,0,1]=4 2206 B6R0.7 CC(C)(C(=O)Br)Br TS55080 [0,2,0,0,0,0|1,0,0]=3 2207 B6R0.7 CC(C)(C(=O)Cl)Cl TS06549 [0,2,0,0,0,0|1,0,0]=3 2208 B6R0.7 CC(C)(C(=O)N)Br TS42985 [0,2,0,0,0,0|1,0,0]=3 2209 B6R0.7 CC(C)(C(=O)N)O TS03994 [0,2,0,0,0,0|1,0,0]=3 2210 B6R0.7 CC(C)(C(=O)O)Br TS12333 [0,2,0,0,0,0|0,0,0]=2 2211 B6R0.7 CC(C)(C(=O)O)F TS31729 [0,2,0,0,0,0|0,0,0]=2 2212 B6R0.7 CC(C)(C(=O)O)N TS59938 [0,2,0,0,0,0|0,0,0]=2 2213 B6R0.7 CC(C)(C(=O)O)O TS39665 [0,2,0,0,0,0|0,0,0]=2 2214 B6R0.7 CC(C)(C(=O)O)S TS16701 [0,2,0,0,0,0|0,0,0]=2 2215 B6R0.7 CC(C)(C)C(=N)N TS03870 [0,2,0,0,0,0|2,0,0]=4 2216 B6R0.7 CC(C)(C)C(=O)Cl TS39623 [0,2,0,0,0,0|1,0,0]=3 2217 B6R0.7 CC(C)(C)C(=O)N TS03907 [0,2,0,0,0,0|1,0,0]=3 2218 B6R0.7 CC(C)(C)C(=O)O TS59813 [0,2,0,0,0,0|0,0,0]=2 2219 B6R0.7 CC(C)(C)C(=O)[O-] TS37551 [0,2,0,0,0,0|0,0,1]=3 2220 B6R0.7 CC(C)(C)C(=O)[O-] TS93485 [0,2,0,0,0,0|0,0,1]=3 2221 B6R0.7 CC(C)(C)C(=S)O TS32363 [0,2,0,0,0,0|0,1,0]=3 2222 B6R0.7 CC(C)(C)S(=O)C TS32434 [0,2,0,0,0,0|2,0,0]=4 2223 B6R0.7 CC(C)(C)S(=O)Cl TS37461 [0,2,0,0,0,0|2,0,0]=4 2224 B6R0.7 CC(C)(C)S(=O)N TS08099 [0,2,0,0,0,0|2,0,0]=4 2225 B6R0.7 CC(C)(C)S(=O)N TS46581 [0,2,0,0,0,0|2,0,0]=4 2226 B6R0.7 CC(C)(C)S(=O)N TS46677 [0,2,0,0,0,0|2,0,0]=4 2227 B6R0.7 CC(C)(C)[N+](=O)[O-] TS31639 [0,2,0,0,0,0|1,0,1]=4 2228 B6R0.7 CC(C)([N+](=O)[O-])Br TS43298 [0,2,0,0,0,0|1,0,1]=4 2229 B6R0.7 CC(C)([N+](=O)[O-])Cl TS04988 [0,2,0,0,0,0|1,0,1]=4 2230 B6R0.7 CC(C)C(C)(C)O TS31618 [0,2,0,0,0,0|1,0,1]=4 2231 B6R0.7 CC(C)P(=O)(Cl)Cl TS11346 [0,2,0,0,0,0|2,0,0]=4 2232 B6R0.7 CC(C)P(=O)(O)O TS05004 [0,2,0,0,0,0|1,0,0]=3 2233 B6R0.7 CC(C)S(=O)(=O)Cl TS06809 [0,2,0,0,0,0|1,0,1]=4 2234 B6R0.7 CC(C)S(=O)(=O)N TS32583 [0,2,0,0,0,0|1,0,1]=4 2235 B6R0.7 CC(C)S(=O)(=O)[O-] TS07156 [0,2,0,0,0,0|1,0,1]=4 2236 B6R0.7 CC(N)P(=O)(O)O TS36041 [0,2,0,0,0,0|1,0,0]=3 2237 B6R0.7 CC([N+](=O)[O-])(Cl)Cl TS40136 [0,2,0,0,0,0|1,0,1]=4 2238 B4R1.1 C1CC=C1 TS65575 [1,0,0,1,0,0|1,0,0]=3 2239 B4R1.1 C1CCC1 TS02409 [1,0,0,1,0,0|1,0,1]=4 2240 B4R1.1 C1CNC1 TS55736 [1,0,0,1,0,0|1,0,1]=4 2241 B4R1.1 C1CNC1 TS55738 [1,0,0,1,0,0|1,0,1]=4 2242 B4R1.1 C1CNC1 TS91474 [1,0,0,1,0,0|1,0,1]=4 2243 B4R1.1 C1COC1 TS02415 [1,0,0,1,0,0|0,0,1]=3 2244 B4R1.1 C1CSC1 TS71618 [1,0,0,1,0,0|0,1,1]=4 2245 B4R1.2 C1CC1Br TS55840 [1,0,0,1,0,0|1,0,1]=4 2246 B4R1.2 C1CC1N TS55837 [1,0,0,1,0,0|1,0,1]=4 2247 B4R1.2 C=C1CC1 TS65571 [1,0,0,1,0,0|1,0,0]=3 2248 B4R1.2 CC1CN1 TS00100 [1,0,0,1,0,0|1,0,1]=4 2249 B4R1.2 CC1CO1 TS02417 [1,0,0,1,0,0|0,0,1]=3 2250 B4R1.2 C[C@@H]1CN1 TS02413 [1,0,0,1,0,0|1,0,1]=4 2251 B4R1.2 C[C@@H]1CO1 TS46587 [1,0,0,1,0,0|0,0,1]=3 2252 B4R1.2 C[C@H]1CN1 TS08126 [1,0,0,1,0,0|1,0,1]=4 2253 B4R1.2 C[C@H]1CO1 TS59490 [1,0,0,1,0,0|0,0,1]=3 2254 B4R1.2 c1cc1=O TS65568 [1,0,0,1,0,0|0,0,2]=4 2255 B6R1.2 C1C(=O)NCN1 TS32972 [0,1,0,1,0,0|1,0,0]=3 2256 B6R1.2 C1C(=O)O[Pt]O1 TS23018 [0,1,0,1,0,0|1,0,0]=3 2257 B6R1.2 C1C=CC(=O)N1 TS71697 [0,1,0,1,0,0|1,0,1]=4 2258 B6R1.2 C1C=CC(=O)O1 TS03476 [0,1,0,1,0,0|0,0,1]=3 2259 B6R1.2 C1C=CCC1=O TS03462 [0,1,0,1,0,0|1,0,1]=4 2260 B6R1.2 C1CC(=N)SC1 TS03910 [0,1,0,1,0,0|1,1,0]=4 2261 B6R1.2 C1CC(=NC1)N TS04838 [0,1,0,1,0,0|2,0,0]=4 2262 B6R1.2 C1CC(=O)C=C1 TS00977 [0,1,0,1,0,0|1,0,0]=3 2263 B6R1.2 C1CC(=O)NC1 TS39938 [0,1,0,1,0,0|1,0,0]=3 2264 B6R1.2 C1CC(=O)NC1 TS63365 [0,1,0,1,0,0|1,0,0]=3 2265 B6R1.2 C1CC(=O)SC1 TS31607 [0,1,0,1,0,0|0,1,0]=3 2266 B6R1.2 C1CC(=S)NC1 TS03912 [0,1,0,1,0,0|1,1,0]=4 2267 B6R1.2 C1CC(OC1)N TS03559 [0,1,0,1,0,0|1,0,1]=4 2268 B6R1.2 C1CC=C(C1)Cl TS31619 [0,1,0,1,0,0|2,0,0]=4 2269 B6R1.2 C1CCC(=O)C1 TS03493 [0,1,0,1,0,0|1,0,0]=3 2270 B6R1.2 C1CCC(C1)O TS71762 [0,1,0,1,0,0|1,0,1]=4 2271 B6R1.2 C1CCS(=O)C1 TS31677 [0,1,0,1,0,0|2,0,0]=4 2272 B6R1.2 C1CNC(=O)N1 TS93146 [0,1,0,1,0,0|1,0,0]=3 2273 B6R1.2 C1CNC(=S)N1 TS31609 [0,1,0,1,0,0|1,1,0]=4 2274 B6R1.2 C1CNCC1=O TS88446 [0,1,0,1,0,0|1,0,0]=3 2275 B6R1.2 C1CNCC1O TS02802 [0,1,0,1,0,0|1,0,1]=4 2276 B6R1.2 C1CNC[C@@H]1O TS87275 [0,1,0,1,0,0|1,0,1]=4 2277 B6R1.2 C1CNC[C@@H]1O TS87623 [0,1,0,1,0,0|1,0,1]=4 2278 B6R1.2 C1CNC[C@H]1O TS46618 [0,1,0,1,0,0|1,0,1]=4 2279 B6R1.2 C1CNC[C@H]1O TS46665 [0,1,0,1,0,0|1,0,1]=4 2280 B6R1.2 C1CNC[C@H]1O TS91049 [0,1,0,1,0,0|1,0,1]=4 2281 B6R1.2 C1CNC[C@H]1O TS94423 [0,1,0,1,0,0|1,0,1]=4 2282 B6R1.2 C1CNNC1=O TS04946 [0,1,0,1,0,0|1,0,0]=3 2283 B6R1.2 C1COC(=O)N1 TS03552 [0,1,0,1,0,0|0,0,0]=2 2284 B6R1.2 C1COC(=O)O1 TS71793 [0,1,0,1,0,0|0,0,0]=2 2285 B6R1.2 C1COC(=S)N1 TS03998 [0,1,0,1,0,0|0,1,0]=3 2286 B6R1.2 C1COCC1=O TS01440 [0,1,0,1,0,0|0,0,0]=2 2287 B6R1.2 C1COCC1Br TS88092 [0,1,0,1,0,0|1,0,1]=4 2288 B6R1.2 C1COCC1Cl TS31737 [0,1,0,1,0,0|1,0,1]=4 2289 B6R1.2 C1COCC1I TS86694 [0,1,0,1,0,0|1,0,1]=4 2290 B6R1.2 C1COCC1N TS89945 [0,1,0,1,0,0|1,0,1]=4 2291 B6R1.2 C1COCC1O TS06712 [0,1,0,1,0,0|0,0,2]=4 2292 B6R1.2 C1COCC1O TS59434 [0,1,0,1,0,0|0,0,2]=4 2293 B6R1.2 C1COCC1O TS89114 [0,1,0,1,0,0|0,0,2]=4 2294 B6R1.2 C1COC[C@@H]1I TS91739 [0,1,0,1,0,0|1,0,1]=4 2295 B6R1.2 C1COC[C@@H]1N TS04989 [0,1,0,1,0,0|1,0,1]=4 2296 B6R1.2 C1COC[C@@H]1N TS85171 [0,1,0,1,0,0|1,0,1]=4 2297 B6R1.2 C1COC[C@@H]1O TS01967 [0,1,0,1,0,0|0,0,2]=4 2298 B6R1.2 C1COC[C@H]1I TS88696 [0,1,0,1,0,0|1,0,1]=4 2299 B6R1.2 C1COC[C@H]1N TS46680 [0,1,0,1,0,0|1,0,1]=4 2300 B6R1.2 C1COC[C@H]1O TS59862 [0,1,0,1,0,0|0,0,2]=4 2301 B6R1.2 C1COP(O1)Cl TS36189 [0,1,0,1,0,0|2,0,0]=4 2302 B6R1.2 C1COS(=O)O1 TS08730 [0,1,0,1,0,0|1,0,0]=3 2303 B6R1.2 C1CSC(=N1)N TS06330 [0,1,0,1,0,0|1,1,0]=4 2304 B6R1.2 C1CSC(=N1)S TS04797 [0,1,0,1,0,0|0,2,0]=4 2305 B6R1.2 C1CSC(=O)N1 TS03996 [0,1,0,1,0,0|0,1,0]=3 2306 B6R1.2 C1CSC(=S)S1 TS37062 [0,1,0,1,0,0|0,2,0]=4 2307 B6R1.2 C1CSCC1=O TS81072 [0,1,0,1,0,0|0,1,0]=3 2308 B6R1.2 C1CSCC1O TS31682 [0,1,0,1,0,0|0,1,1]=4 2309 B6R1.2 CC1=CCCC1 TS71683 [0,1,0,1,0,0|2,0,0]=4 2310 B6R1.2 CC1=CCCO1 TS03492 [0,1,0,1,0,0|1,0,0]=3 2311 B6R1.2 CC1=NCCC1 TS32917 [0,1,0,1,0,0|2,0,0]=4 2312 B6R1.2 CC1=NCCO1 TS71733 [0,1,0,1,0,0|1,0,0]=3 2313 B6R1.2 CC1=NCCS1 TS03913 [0,1,0,1,0,0|1,1,0]=4 2314 B6R1.2 CC1CCCO1 TS71748 [0,1,0,1,0,0|1,0,1]=4 2315 B6R1.2 CC1CCOC1 TS71755 [0,1,0,1,0,0|1,0,1]=4 2316 B6R1.2 CC1COCO1 TS03579 [0,1,0,1,0,0|1,0,1]=4 2317 B6R1.2 CC1OCCO1 TS03576 [0,1,0,1,0,0|1,0,1]=4 2318 B6R1.2 c1coc(=O)o1 TS16828 [0,1,0,1,0,0|0,0,2]=4 2319 B6R1.3 C1C(O1)CCBr TS08876 [0,1,0,1,0,0|1,0,1]=4 2320 B6R1.3 C1[C@@H](O1)CCBr TS40969 [0,1,0,1,0,0|1,0,1]=4 2321 B6R1.3 C1[C@H](O1)CCBr TS40971 [0,1,0,1,0,0|1,0,1]=4 2322 B6R1.3 CCC[C@H]1CO1 TS71750 [0,1,0,1,0,0|1,0,1]=4 2323 B6R1.3 COC[C@@H]1CO1 TS03586 [0,1,0,1,0,0|1,0,1]=4 2324 B6R1.3 COC[C@H]1CO1 TS03578 [0,1,0,1,0,0|1,0,1]=4 2325 B6R1.3 CSCC1CO1 TS31681 [0,1,0,1,0,0|1,0,1]=4 2326 B6R1.5 C1C(CC1=O)Br TS90589 [0,1,0,1,0,0|1,0,0]=3 2327 B6R1.5 C1C(CC1=O)F TS92277 [0,1,0,1,0,0|1,0,0]=3 2328 B6R1.5 C1C(CC1=O)N TS88191 [0,1,0,1,0,0|1,0,0]=3 2329 B6R1.5 C1C(CC1O)N TS87393 [0,1,0,1,0,0|1,0,1]=4 2330 B6R1.5 C1[C@@H](C[C@@H]1N)O TS01386 [0,1,0,1,0,0|1,0,1]=4 2331 B6R1.5 C1[C@@H](C[C@@H]1N)O TS85827 [0,1,0,1,0,0|1,0,1]=4 2332 B6R1.5 C1[C@@H](C[C@@H]1O)F TS92355 [0,1,0,1,0,0|1,0,1]=4 2333 B6R1.5 C1[C@@H](C[C@H]1N)O TS59458 [0,1,0,1,0,0|1,0,1]=4 2334 B6R1.5 C1[C@@H](C[C@H]1N)O TS86662 [0,1,0,1,0,0|1,0,1]=4 2335 B6R1.5 C1[C@@H](C[C@H]1N)O TS87898 [0,1,0,1,0,0|1,0,1]=4 2336 B6R1.5 C1[C@@H](C[C@H]1O)F TS89804 [0,1,0,1,0,0|1,0,1]=4 2337 B6R1.5 C=C1CC(=O)O1 TS55716 [0,1,0,1,0,0|0,0,1]=3 2338 B6R1.5 CC1CC(=O)N1 TS71735 [0,1,0,1,0,0|1,0,0]=3 2339 B6R1.5 CN1CC(C1)O TS90519 [0,1,0,1,0,0|1,0,1]=4 2340 B6R1.8 C=C1CC1CO TS03490 [0,1,0,1,0,0|2,0,0]=4 2341 B6R1.8 CC1CC1CO TS71767 [0,1,0,1,0,0|1,0,1]=4 2342 B6R1.9 CC1C(O1)(C)C TS71757 [0,1,0,1,0,0|1,0,1]=4 2343 B6R1.10 C1CS(=O)(=O)C1 TS04092 [0,1,0,1,0,0|1,0,1]=4 2344 B6R1.10 CC1(CNC1)O TS89652 [0,1,0,1,0,0|1,0,1]=4 2345 B6R1.10 CC1(COC1)O TS86475 [0,1,0,1,0,0|1,0,1]=4 2346 B6R1.11 B(C1CC1)(O)O TS55838 [0,1,0,1,0,0|1,0,1]=4 2347 B6R1.11 C1C(O1)C(=O)N TS03556 [0,1,0,1,0,0|1,0,0]=3 2348 B6R1.11 C1C(O1)C(=O)O TS71796 [0,1,0,1,0,0|0,0,0]=2 2349 B6R1.11 C1CC1C(=N)N TS03501 [0,1,0,1,0,0|2,0,0]=4 2350 B6R1.11 C1CC1C(=N)N TS04839 [0,1,0,1,0,0|2,0,0]=4 2351 B6R1.11 C1CC1C(=O)Cl TS22948 [0,1,0,1,0,0|1,0,0]=3 2352 B6R1.11 C1CC1C(=O)N TS55831 [0,1,0,1,0,0|1,0,0]=3 2353 B6R1.11 C1CC1C(=O)O TS55832 [0,1,0,1,0,0|0,0,0]=2 2354 B6R1.11 C1CC1C(=S)N TS94892 [0,1,0,1,0,0|1,1,0]=4 2355 B6R1.11 C1[C@H](N1)C(=O)[O-] TS71873 [0,1,0,1,0,0|0,0,1]=3 2356 B6R1.11 CC(=O)C1CC1 TS39597 [0,1,0,1,0,0|1,0,0]=3 2357 B6R1.11 CC(=O)C1CO1 TS03532 [0,1,0,1,0,0|1,0,0]=3 2358 B6R1.11 CC(=O)N1CC1 TS03506 [0,1,0,1,0,0|1,0,0]=3 2359 B6R1.4 CC1C(CN1)O TS92907 [0,1,0,1,0,0|1,0,1]=4 2360 B6R1.6 C1CC(C1)C=O TS03489 [0,1,0,1,0,0|1,0,1]=4 2361 B6R1.6 C1CC(C1)CO TS71752 [0,1,0,1,0,0|1,0,1]=4 2362 B6R1.6 C1CNC1CO TS88277 [0,1,0,1,0,0|1,0,1]=4 2363 B6R1.6 C1CN[C@H]1CO TS86313 [0,1,0,1,0,0|1,0,1]=4 2364 B6R1.6 C1COC1CBr TS40968 [0,1,0,1,0,0|1,0,1]=4 2365 B6R1.6 C1COC1CI TS91254 [0,1,0,1,0,0|1,0,1]=4 2366 B6R1.6 C1COC1CN TS86216 [0,1,0,1,0,0|1,0,1]=4 2367 B6R1.6 C1COC1CO TS88229 [0,1,0,1,0,0|0,0,2]=4 2368 B6R1.7 C1CC1(CN)O TS71768 [0,1,0,1,0,0|1,0,1]=4 2369 B6R1.7 C1CC1(CO)N TS46848 [0,1,0,1,0,0|1,0,1]=4 2370 B6R1.7 CC1(CC1)CO TS71759 [0,1,0,1,0,0|1,0,1]=4 2371 B6R1.7 CCC1(CO1)C TS71765 [0,1,0,1,0,0|1,0,1]=4