0 B4R0.1 C#CC(=O)N H52319 [0,0,0,0,0,0|2,0,0]=2 1 B4R0.1 C#CC(=O)O A13245 [0,0,0,0,0,0|2,0,0]=2 2 B4R0.1 C(#N)C(Br)Br A16994 [0,0,0,0,0,0|2,0,1]=3 3 B4R0.1 C(#N)C(Cl)Cl A10612 [0,0,0,0,0,0|2,0,1]=3 4 B4R0.1 C(=C(Cl)Cl)Cl 19401 [0,0,0,0,0,0|3,0,1]=4 5 B4R0.1 C(=C(Cl)Cl)Cl 39744 [0,0,0,0,0,0|3,0,1]=4 6 B4R0.1 C(=C(Cl)Cl)Cl 41894 [0,0,0,0,0,0|3,0,1]=4 7 B4R0.1 C(=C(Cl)Cl)Cl 41963 [0,0,0,0,0,0|3,0,1]=4 8 B4R0.1 C(=C(Cl)Cl)Cl 43487 [0,0,0,0,0,0|3,0,1]=4 9 B4R0.1 C(=C(Cl)Cl)Cl L14474 [0,0,0,0,0,0|3,0,1]=4 10 B4R0.1 C(=N)(N)NN A19710 [0,0,0,0,0,0|3,0,1]=4 11 B4R0.1 C(=N)(N)NN B24696 [0,0,0,0,0,0|3,0,1]=4 12 B4R0.1 C(=N)(N)NN L11632 [0,0,0,0,0,0|3,0,1]=4 13 B4R0.1 C(=O)(N)NN A11668 [0,0,0,0,0,0|2,0,1]=3 14 B4R0.1 C(=O)(N)NO A10831 [0,0,0,0,0,0|3,0,0]=3 15 B4R0.1 C(=O)(SCl)Cl L06432 [0,0,0,0,0,0|3,0,0]=3 16 B4R0.1 C(=O)([O-])O[O-] A16045 [0,0,0,0,0,0|3,0,0]=3 17 B4R0.1 C(=O)C(=O)O A16058 [0,0,0,0,0,0|2,0,1]=3 18 B4R0.1 C(=O)C(=O)O B25149 [0,0,0,0,0,0|2,0,1]=3 19 B4R0.1 C(=S)(N)NN A14630 [0,0,0,0,0,0|2,1,1]=4 20 B4R0.1 C(C(=N)N)Cl A14835 [0,0,0,0,0,0|3,0,1]=4 21 B4R0.1 C(C(=O)Br)Br A19580 [0,0,0,0,0,0|2,0,1]=3 22 B4R0.1 C(C(=O)Cl)Cl A15846 [0,0,0,0,0,0|2,0,1]=3 23 B4R0.1 C(C(=O)Cl)I L04428 [0,0,0,0,0,0|2,0,1]=3 24 B4R0.1 C(C(=O)N)Br A11926 [0,0,0,0,0,0|2,0,1]=3 25 B4R0.1 C(C(=O)N)Cl A15238 [0,0,0,0,0,0|2,0,1]=3 26 B4R0.1 C(C(=O)N)I A14715 [0,0,0,0,0,0|2,0,1]=3 27 B4R0.1 C(C(=O)N)N A11128 [0,0,0,0,0,0|1,0,2]=3 28 B4R0.1 C(C(=O)O)Br A14403 [0,0,0,0,0,0|2,0,1]=3 29 B4R0.1 C(C(=O)O)Cl 41724 [0,0,0,0,0,0|2,0,1]=3 30 B4R0.1 C(C(=O)O)Cl A11482 [0,0,0,0,0,0|2,0,1]=3 31 B4R0.1 C(C(=O)O)I A12410 [0,0,0,0,0,0|2,0,1]=3 32 B4R0.1 C(C(=O)O)N 36435 [0,0,0,0,0,0|1,0,2]=3 33 B4R0.1 C(C(=O)O)N 43497 [0,0,0,0,0,0|1,0,2]=3 34 B4R0.1 C(C(=O)O)N A12162 [0,0,0,0,0,0|1,0,2]=3 35 B4R0.1 C(C(=O)O)N A13816 [0,0,0,0,0,0|1,0,2]=3 36 B4R0.1 C(C(=O)O)N J60154 [0,0,0,0,0,0|1,0,2]=3 37 B4R0.1 C(C(=O)O)N J61855 [0,0,0,0,0,0|1,0,2]=3 38 B4R0.1 C(C(=O)O)N J62407 [0,0,0,0,0,0|1,0,2]=3 39 B4R0.1 C(C(=O)O)N J62527 [0,0,0,0,0,0|1,0,2]=3 40 B4R0.1 C(C(=O)O)N J64365 [0,0,0,0,0,0|1,0,2]=3 41 B4R0.1 C(C(=O)O)N J67094 [0,0,0,0,0,0|1,0,2]=3 42 B4R0.1 C(C(=O)O)N J67147 [0,0,0,0,0,0|1,0,2]=3 43 B4R0.1 C(C(=O)O)N J67349 [0,0,0,0,0,0|1,0,2]=3 44 B4R0.1 C(C(=O)O)O A12511 [0,0,0,0,0,0|2,0,1]=3 45 B4R0.1 C(C(=O)O)O L14980 [0,0,0,0,0,0|2,0,1]=3 46 B4R0.1 C(C(=O)O)S B20391 [0,0,0,0,0,0|2,0,1]=3 47 B4R0.1 C(C(=O)[O-])Br L14983 [0,0,0,0,0,0|2,0,1]=3 48 B4R0.1 C(C(=O)[O-])Cl A12379 [0,0,0,0,0,0|2,0,1]=3 49 B4R0.1 C(C(=O)[O-])O 39456 [0,0,0,0,0,0|2,0,1]=3 50 B4R0.1 C(C(=O)[O-])O A12341 [0,0,0,0,0,0|2,0,1]=3 51 B4R0.1 C(C(=O)[O-])S 45557 [0,0,0,0,0,0|2,0,1]=3 52 B4R0.1 C(C(=O)[O-])S L14356 [0,0,0,0,0,0|2,0,1]=3 53 B4R0.1 C(O)S(=O)[O-] A15731 [0,0,0,0,0,0|3,0,1]=4 54 B4R0.1 C=C(CBr)Br A12099 [0,0,0,0,0,0|2,0,2]=4 55 B4R0.1 C=C(CCl)Cl L08943 [0,0,0,0,0,0|2,0,2]=4 56 B4R0.1 C=CC(=O)Cl L10363 [0,0,0,0,0,0|2,0,1]=3 57 B4R0.1 C=CC(=O)N 36545 [0,0,0,0,0,0|2,0,1]=3 58 B4R0.1 C=CC(=O)N A15940 [0,0,0,0,0,0|2,0,1]=3 59 B4R0.1 C=CC(=O)N A17157 [0,0,0,0,0,0|2,0,1]=3 60 B4R0.1 C=CC(=O)N L15075 [0,0,0,0,0,0|2,0,1]=3 61 B4R0.1 C=CC(=O)O 43359 [0,0,0,0,0,0|2,0,1]=3 62 B4R0.1 C=CC(=O)O 45779 [0,0,0,0,0,0|2,0,1]=3 63 B4R0.1 C=CC(=O)O L04280 [0,0,0,0,0,0|2,0,1]=3 64 B4R0.1 C=CC(=O)[O-] 38591 [0,0,0,0,0,0|2,0,1]=3 65 B4R0.1 C=CC(=O)[O-] 41779 [0,0,0,0,0,0|2,0,1]=3 66 B4R0.1 C=CC(=O)[O-] 41780 [0,0,0,0,0,0|2,0,1]=3 67 B4R0.1 C=CC(=O)[O-] 42001 [0,0,0,0,0,0|2,0,1]=3 68 B4R0.1 C=CC(=O)[O-] 42002 [0,0,0,0,0,0|2,0,1]=3 69 B4R0.1 C=CC(=O)[O-] 42003 [0,0,0,0,0,0|2,0,1]=3 70 B4R0.1 C=CC(=O)[O-] L10079 [0,0,0,0,0,0|2,0,1]=3 71 B4R0.1 CC(=C)C#C L06111 [0,0,0,0,0,0|2,0,0]=2 72 B4R0.1 CC(=C)C=C L14619 [0,0,0,0,0,0|2,0,1]=3 73 B4R0.1 CC(=C)C=O 43124 [0,0,0,0,0,0|2,0,1]=3 74 B4R0.1 CC(=C)CCl B22674 [0,0,0,0,0,0|2,0,1]=3 75 B4R0.1 CC(=C)CO H60502 [0,0,0,0,0,0|2,0,1]=3 76 B4R0.1 CC(=C)OC B24083 [0,0,0,0,0,0|3,0,0]=3 77 B4R0.1 CC(=C=C)C L10159 [0,0,0,0,0,0|2,0,1]=3 78 B4R0.1 CC(=NO)C A10802 [0,0,0,0,0,0|3,0,0]=3 79 B4R0.1 CC(=O)C#C L05527 [0,0,0,0,0,0|1,0,0]=1 80 B4R0.1 CC(=O)C#N H66636 [0,0,0,0,0,0|0,0,0]=0 81 B4R0.1 CC(=O)C=C A11910 [0,0,0,0,0,0|1,0,1]=2 82 B4R0.1 CC(=O)C=O B24664 [0,0,0,0,0,0|1,0,1]=2 83 B4R0.1 CC(=O)CCl A11922 [0,0,0,0,0,0|1,0,1]=2 84 B4R0.1 CC(=O)CO L15008 [0,0,0,0,0,0|1,0,1]=2 85 B4R0.1 CC(=O)NBr L02953 [0,0,0,0,0,0|2,0,0]=2 86 B4R0.1 CC(=O)NC A17928 [0,0,0,0,0,0|2,0,0]=2 87 B4R0.1 CC(=O)NN A10969 [0,0,0,0,0,0|1,0,1]=2 88 B4R0.1 CC(=O)NO L01569 [0,0,0,0,0,0|2,0,0]=2 89 B4R0.1 CC(=O)OC L14475 [0,0,0,0,0,0|2,0,0]=2 90 B4R0.1 CC(=O)SC A12400 [0,0,0,0,0,0|2,0,0]=2 91 B4R0.1 CC(C#C)O A11881 [0,0,0,0,0,0|1,0,2]=3 92 B4R0.1 CC(C)C#C H53439 [0,0,0,0,0,0|2,0,1]=3 93 B4R0.1 CC(C)C#N L14470 [0,0,0,0,0,0|1,0,1]=2 94 B4R0.1 CC(C)C=O A12106 [0,0,0,0,0,0|2,0,2]=4 95 B4R0.1 CC(C)CBr B23854 [0,0,0,0,0,0|2,0,2]=4 96 B4R0.1 CC(C)CCl L04181 [0,0,0,0,0,0|2,0,2]=4 97 B4R0.1 CC(C)CI A15883 [0,0,0,0,0,0|2,0,2]=4 98 B4R0.1 CC(C)CN A11017 [0,0,0,0,0,0|1,0,3]=4 99 B4R0.1 CC(C)CO 22908 [0,0,0,0,0,0|2,0,2]=4 100 B4R0.1 CC(C)CO 32433 [0,0,0,0,0,0|2,0,2]=4 101 B4R0.1 CC(C)CO 36643 [0,0,0,0,0,0|2,0,2]=4 102 B4R0.1 CC(C)CO B23091 [0,0,0,0,0,0|2,0,2]=4 103 B4R0.1 CC(C)C[O-] 89455 [0,0,0,0,0,0|2,0,2]=4 104 B4R0.1 CC(C)C[Zn+] H58145 [0,0,0,0,0,0|2,0,2]=4 105 B4R0.1 CC(C)NC H65892 [0,0,0,0,0,0|3,0,1]=4 106 B4R0.1 CC(C=C)O L14787 [0,0,0,0,0,0|1,0,3]=4 107 B4R0.1 CC(CBr)Br B22994 [0,0,0,0,0,0|2,0,2]=4 108 B4R0.1 CC(CCl)Cl L03083 [0,0,0,0,0,0|2,0,2]=4 109 B4R0.1 CC(CCl)O B22686 [0,0,0,0,0,0|1,0,3]=4 110 B4R0.1 CC(CN)N B24489 [0,0,0,0,0,0|1,0,3]=4 111 B4R0.1 CC(CN)O L15343 [0,0,0,0,0,0|0,0,4]=4 112 B4R0.1 CC(CO)N L03608 [0,0,0,0,0,0|2,0,2]=4 113 B4R0.1 CC(CO)O 30948 [0,0,0,0,0,0|1,0,3]=4 114 B4R0.1 CC(CO)O A18406 [0,0,0,0,0,0|1,0,3]=4 115 B4R0.1 CC=C(C)C 31853 [0,0,0,0,0,0|2,0,1]=3 116 B4R0.1 CCC(=C)Br B20067 [0,0,0,0,0,0|2,0,2]=4 117 B4R0.1 CCC(=C)C H27230 [0,0,0,0,0,0|2,0,1]=3 118 B4R0.1 CCC(=O)C 22924 [0,0,0,0,0,0|1,0,1]=2 119 B4R0.1 CCC(=O)C 31069 [0,0,0,0,0,0|1,0,1]=2 120 B4R0.1 CCC(=O)C 39119 [0,0,0,0,0,0|1,0,1]=2 121 B4R0.1 CCC(=O)C L13185 [0,0,0,0,0,0|1,0,1]=2 122 B4R0.1 CCC(=O)Cl A10940 [0,0,0,0,0,0|2,0,1]=3 123 B4R0.1 CCC(=O)N A10521 [0,0,0,0,0,0|2,0,1]=3 124 B4R0.1 CCC(=O)O L04210 [0,0,0,0,0,0|2,0,1]=3 125 B4R0.1 CCC(=O)[O-] 18865 [0,0,0,0,0,0|2,0,1]=3 126 B4R0.1 CCC(=O)[O-] A14994 [0,0,0,0,0,0|2,0,1]=3 127 B4R0.1 CCC(=O)[O-] A17440 [0,0,0,0,0,0|2,0,1]=3 128 B4R0.1 CCC(=O)[O-] B23636 [0,0,0,0,0,0|2,0,1]=3 129 B4R0.1 CCC(C)Br A15069 [0,0,0,0,0,0|2,0,2]=4 130 B4R0.1 CCC(C)C 19387 [0,0,0,0,0,0|2,0,2]=4 131 B4R0.1 CCC(C)Cl B21586 [0,0,0,0,0,0|2,0,2]=4 132 B4R0.1 CCC(C)I B20619 [0,0,0,0,0,0|2,0,2]=4 133 B4R0.1 CCC(C)N A13014 [0,0,0,0,0,0|2,0,2]=4 134 B4R0.1 CCC(C)O 41871 [0,0,0,0,0,0|1,0,3]=4 135 B4R0.1 CCC(C)O 43315 [0,0,0,0,0,0|1,0,3]=4 136 B4R0.1 CCC(C)O A18658 [0,0,0,0,0,0|1,0,3]=4 137 B4R0.1 CCC(C)[O-] 30721 [0,0,0,0,0,0|1,0,3]=4 138 B4R0.1 CCC(C)[O-] 43712 [0,0,0,0,0,0|1,0,3]=4 139 B4R0.1 CCC(C)[O-] A13044 [0,0,0,0,0,0|1,0,3]=4 140 B4R0.1 CCC(C)[Zn+] H58714 [0,0,0,0,0,0|2,0,2]=4 141 B4R0.1 CCN(C)C B23992 [0,0,0,0,0,0|3,0,1]=4 142 B4R0.1 CC[C@@H](C)N L03889 [0,0,0,0,0,0|2,0,2]=4 143 B4R0.1 CC[C@@H](C)O L13983 [0,0,0,0,0,0|1,0,3]=4 144 B4R0.1 CC[C@H](C)N L10069 [0,0,0,0,0,0|2,0,2]=4 145 B4R0.1 CC[C@H](C)O L14164 [0,0,0,0,0,0|1,0,3]=4 146 B4R0.1 CC[N+](=O)[O-] A10855 [0,0,0,0,0,0|3,0,1]=4 147 B4R0.1 CN(C)C=O 13808 [0,0,0,0,0,0|3,0,1]=4 148 B4R0.1 CN(C)C=O 22915 [0,0,0,0,0,0|3,0,1]=4 149 B4R0.1 CN(C)C=O 39117 [0,0,0,0,0,0|3,0,1]=4 150 B4R0.1 CN(C)C=O 41859 [0,0,0,0,0,0|3,0,1]=4 151 B4R0.1 CN(C)C=O 43465 [0,0,0,0,0,0|3,0,1]=4 152 B4R0.1 CN(C)C=O 43997 [0,0,0,0,0,0|3,0,1]=4 153 B4R0.1 CN(C)C=O A13547 [0,0,0,0,0,0|3,0,1]=4 154 B4R0.1 CN(C)C=S B24529 [0,0,0,0,0,0|3,0,1]=4 155 B4R0.1 CNC(=O)N B24772 [0,0,0,0,0,0|3,0,0]=3 156 B4R0.1 CNC(=S)N A10437 [0,0,0,0,0,0|3,1,0]=4 157 B4R0.1 COC(=N)N A14773 [0,0,0,0,0,0|4,0,0]=4 158 B4R0.1 COC(=O)N A16523 [0,0,0,0,0,0|3,0,0]=3 159 B4R0.1 CSC(=[NH2+])N A11044 [0,0,0,0,0,0|4,0,0]=4 160 B4R0.1 C[Al](C)C[Ti+] 44506 [0,0,0,0,0,0|3,0,1]=4 161 B4R0.1 C[C@@H](C#C)O L20345 [0,0,0,0,0,0|1,0,2]=3 162 B4R0.1 C[C@@H](CN)N H60753 [0,0,0,0,0,0|1,0,3]=4 163 B4R0.1 C[C@@H](CN)O L14102 [0,0,0,0,0,0|0,0,4]=4 164 B4R0.1 C[C@@H](CO)N B24916 [0,0,0,0,0,0|2,0,2]=4 165 B4R0.1 C[C@@H](CO)O B21773 [0,0,0,0,0,0|1,0,3]=4 166 B4R0.1 C[C@H](C#C)O L18880 [0,0,0,0,0,0|1,0,2]=3 167 B4R0.1 C[C@H](CN)O L14101 [0,0,0,0,0,0|0,0,4]=4 168 B4R0.1 C[C@H](CO)N L11030 [0,0,0,0,0,0|2,0,2]=4 169 B4R0.1 C[C@H](CO)O B21937 [0,0,0,0,0,0|1,0,3]=4 170 B4R0.1 C[N+](=CCl)C B24172 [0,0,0,0,0,0|3,0,1]=4 171 B4R0.1 C\C=C(\C)/Br A18058 [0,0,0,0,0,0|2,0,1]=3 172 B4R0.1 [Li]C(C)CC 43028 [0,0,0,0,0,0|2,0,2]=4 173 B3R0.1 C#CCBr A16580 [1,0,0,0,0,0|2,0,1]=4 174 B3R0.1 C#CCBr L10595 [1,0,0,0,0,0|2,0,1]=4 175 B3R0.1 C#CCCl L20416 [1,0,0,0,0,0|2,0,1]=4 176 B3R0.1 C#CCN 43775 [1,0,0,0,0,0|2,0,1]=4 177 B3R0.1 C#CCN H53495 [1,0,0,0,0,0|2,0,1]=4 178 B3R0.1 C#CCO A10295 [1,0,0,0,0,0|1,0,2]=4 179 B3R0.1 C(=C\Cl)/Cl L13994 [1,0,0,0,0,0|2,0,1]=4 180 B3R0.1 C(=O)C=O A16144 [1,0,0,0,0,0|1,0,1]=3 181 B3R0.1 C(=O)NN A14901 [1,0,0,0,0,0|1,0,1]=3 182 B3R0.1 C(C#N)Br A13933 [1,0,0,0,0,0|1,0,1]=3 183 B3R0.1 C(C#N)Cl A12825 [1,0,0,0,0,0|1,0,1]=3 184 B3R0.1 C(C#N)I L03634 [1,0,0,0,0,0|1,0,1]=3 185 B3R0.1 C(C#N)N 41984 [1,0,0,0,0,0|1,0,1]=3 186 B3R0.1 C(C=O)Cl A11037 [1,0,0,0,0,0|1,0,1]=3 187 B3R0.1 C(C=O)Cl L12701 [1,0,0,0,0,0|1,0,1]=3 188 B3R0.1 C=CC#N A13058 [1,0,0,0,0,0|0,0,1]=2 189 B3R0.1 C=CC=O 36520 [1,0,0,0,0,0|1,0,1]=3 190 B3R0.1 C=CCBr A11766 [1,0,0,0,0,0|1,0,2]=4 191 B3R0.1 C=CCCl A14330 [1,0,0,0,0,0|1,0,2]=4 192 B3R0.1 C=CCI A11822 [1,0,0,0,0,0|1,0,2]=4 193 B3R0.1 C=CCN L07162 [1,0,0,0,0,0|0,0,3]=4 194 B3R0.1 C=CCO A15026 [1,0,0,0,0,0|1,0,2]=4 195 B3R0.1 C=CCS A13616 [1,0,0,0,0,0|1,0,2]=4 196 B3R0.1 C=CC[Mg+] H51170 [1,0,0,0,0,0|1,0,2]=4 197 B3R0.1 C=CC[Zn+] H58012 [1,0,0,0,0,0|1,0,2]=4 198 B3R0.1 CC#CC A13823 [1,0,0,0,0,0|1,0,1]=3 199 B3R0.1 CCC#N A13203 [1,0,0,0,0,0|0,0,1]=2 200 B3R0.1 CCC=O A16146 [1,0,0,0,0,0|1,0,1]=3 201 B3R0.1 CCCBr A10461 [1,0,0,0,0,0|1,0,2]=4 202 B3R0.1 CCCI A14388 [1,0,0,0,0,0|1,0,2]=4 203 B3R0.1 CCCN 36635 [1,0,0,0,0,0|0,0,3]=4 204 B3R0.1 CCCN A11606 [1,0,0,0,0,0|0,0,3]=4 205 B3R0.1 CCCO 22932 [1,0,0,0,0,0|1,0,2]=4 206 B3R0.1 CCCO 22933 [1,0,0,0,0,0|1,0,2]=4 207 B3R0.1 CCCO 41465 [1,0,0,0,0,0|1,0,2]=4 208 B3R0.1 CCCO 41842 [1,0,0,0,0,0|1,0,2]=4 209 B3R0.1 CCCO 43848 [1,0,0,0,0,0|1,0,2]=4 210 B3R0.1 CCCO A19902 [1,0,0,0,0,0|1,0,2]=4 211 B3R0.1 CCCS 43420 [1,0,0,0,0,0|1,0,2]=4 212 B3R0.1 CCC[Mg+] H51162 [1,0,0,0,0,0|1,0,2]=4 213 B3R0.1 CCC[O-] 22989 [1,0,0,0,0,0|1,0,2]=4 214 B3R0.1 CCC[O-] 36571 [1,0,0,0,0,0|1,0,2]=4 215 B3R0.1 CCC[O-] 44673 [1,0,0,0,0,0|1,0,2]=4 216 B3R0.1 CCC[O-] 44770 [1,0,0,0,0,0|1,0,2]=4 217 B3R0.1 CCC[S-] H66135 [1,0,0,0,0,0|1,0,2]=4 218 B3R0.1 CCC[Zn+] H58119 [1,0,0,0,0,0|1,0,2]=4 219 B3R0.1 CCNC L04372 [1,0,0,0,0,0|2,0,1]=4 220 B3R0.1 CCSC L02859 [1,0,0,0,0,0|2,0,1]=4 221 B3R0.1 CN=C=O L19476 [1,0,0,0,0,0|2,0,1]=4 222 B3R0.1 CN=C=S A11757 [1,0,0,0,0,0|2,0,1]=4 223 B3R0.1 CN=C=S L19464 [1,0,0,0,0,0|2,0,1]=4 224 B3R0.1 CNC=O L03908 [1,0,0,0,0,0|2,0,0]=3 225 B3R0.1 CNOC A17469 [1,0,0,0,0,0|3,0,0]=4 226 B3R0.1 COC=O A15850 [1,0,0,0,0,0|2,0,0]=3 227 B3R0.1 COCBr L09837 [1,0,0,0,0,0|2,0,1]=4 228 B3R0.1 CSC#N H27879 [1,0,0,0,0,0|1,0,0]=2 229 B3R0.1 CSCCl L10858 [1,0,0,0,0,0|2,0,1]=4 230 B3R0.1 CSSC L09679 [1,0,0,0,0,0|3,0,0]=4 231 B3R0.1 C[Se][Se]C 68119 [1,0,0,0,0,0|3,0,0]=4 232 B3R0.1 C\C=N\O A10640 [1,0,0,0,0,0|2,0,0]=3 233 B3R0.2 B(=O)(=O)[O-] A10189 [1,0,0,0,0,0|3,0,0]=4 234 B3R0.2 B(C)(C)Br 33552 [1,0,0,0,0,0|2,0,1]=4 235 B3R0.2 B(C)(C)C L14994 [1,0,0,0,0,0|2,0,1]=4 236 B3R0.2 B(C)(O)O L15589 [1,0,0,0,0,0|2,0,1]=4 237 B3R0.2 C(=N)(N)N A12853 [1,0,0,0,0,0|2,0,1]=4 238 B3R0.2 C(=N)(N)N A13543 [1,0,0,0,0,0|2,0,1]=4 239 B3R0.2 C(=N)(N)N L09643 [1,0,0,0,0,0|2,0,1]=4 240 B3R0.2 C(=O)(N)N 36428 [1,0,0,0,0,0|1,0,1]=3 241 B3R0.2 C(=O)(N)N 36429 [1,0,0,0,0,0|1,0,1]=3 242 B3R0.2 C(=O)(N)N A12360 [1,0,0,0,0,0|1,0,1]=3 243 B3R0.2 C(=O)(O)[O-] 44042 [1,0,0,0,0,0|2,0,0]=3 244 B3R0.2 C(=O)(O)[O-] 45082 [1,0,0,0,0,0|2,0,0]=3 245 B3R0.2 C(=O)(O)[O-] A12429 [1,0,0,0,0,0|2,0,0]=3 246 B3R0.2 C(=O)(O)[O-] A12483 [1,0,0,0,0,0|2,0,0]=3 247 B3R0.2 C(=O)(O)[O-] A14590 [1,0,0,0,0,0|2,0,0]=3 248 B3R0.2 C(=O)(O)[O-] A17005 [1,0,0,0,0,0|2,0,0]=3 249 B3R0.2 C(=O)(O)[O-] A18566 [1,0,0,0,0,0|2,0,0]=3 250 B3R0.2 C(=O)([O-])[O-] 11420 [1,0,0,0,0,0|2,0,0]=3 251 B3R0.2 C(=O)([O-])[O-] 18202 [1,0,0,0,0,0|2,0,0]=3 252 B3R0.2 C(=O)([O-])[O-] A12240 [1,0,0,0,0,0|2,0,0]=3 253 B3R0.2 C(=O)([O-])[O-] A12994 [1,0,0,0,0,0|2,0,0]=3 254 B3R0.2 C(=O)([O-])[O-] A13195 [1,0,0,0,0,0|2,0,0]=3 255 B3R0.2 C(=O)([O-])[O-] A13955 [1,0,0,0,0,0|2,0,0]=3 256 B3R0.2 C(=O)([O-])[O-] A15812 [1,0,0,0,0,0|2,0,0]=3 257 B3R0.2 C(=O)([O-])[O-] A16625 [1,0,0,0,0,0|2,0,0]=3 258 B3R0.2 C(=O)([O-])[O-] A17209 [1,0,0,0,0,0|2,0,0]=3 259 B3R0.2 C(=O)([O-])[O-] A17484 [1,0,0,0,0,0|2,0,0]=3 260 B3R0.2 C(=O)([O-])[O-] A18070 [1,0,0,0,0,0|2,0,0]=3 261 B3R0.2 C(=O)([O-])[O-] L13098 [1,0,0,0,0,0|2,0,0]=3 262 B3R0.2 C(=O)([O-])[SH2+] A18912 [1,0,0,0,0,0|2,0,0]=3 263 B3R0.2 C(=S)(N)N 36609 [1,0,0,0,0,0|1,1,1]=4 264 B3R0.2 C(=S)(N)N A12828 [1,0,0,0,0,0|1,1,1]=4 265 B3R0.2 C(=[SH+])(N)N L19377 [1,0,0,0,0,0|1,1,1]=4 266 B3R0.2 C(=[Se])(N)N 36720 [1,0,0,0,0,0|1,1,1]=4 267 B3R0.2 C(=[Se])(N)N B21440 [1,0,0,0,0,0|1,1,1]=4 268 B3R0.2 C=C(Cl)Cl L14308 [1,0,0,0,0,0|2,0,1]=4 269 B3R0.2 CC(=C)Br L14229 [1,0,0,0,0,0|1,0,1]=3 270 B3R0.2 CC(=C)Cl L12374 [1,0,0,0,0,0|1,0,1]=3 271 B3R0.2 CC(=N)N A16091 [1,0,0,0,0,0|1,0,1]=3 272 B3R0.2 CC(=O)Br A12485 [1,0,0,0,0,0|1,0,0]=2 273 B3R0.2 CC(=O)C 19392 [1,0,0,0,0,0|0,0,1]=2 274 B3R0.2 CC(=O)C 22928 [1,0,0,0,0,0|0,0,1]=2 275 B3R0.2 CC(=O)C 30698 [1,0,0,0,0,0|0,0,1]=2 276 B3R0.2 CC(=O)C 32451 [1,0,0,0,0,0|0,0,1]=2 277 B3R0.2 CC(=O)C 43053 [1,0,0,0,0,0|0,0,1]=2 278 B3R0.2 CC(=O)C L10407 [1,0,0,0,0,0|0,0,1]=2 279 B3R0.2 CC(=O)Cl 43262 [1,0,0,0,0,0|1,0,0]=2 280 B3R0.2 CC(=O)Cl H32616 [1,0,0,0,0,0|1,0,0]=2 281 B3R0.2 CC(=O)Cl L14013 [1,0,0,0,0,0|1,0,0]=2 282 B3R0.2 CC(=O)N A12589 [1,0,0,0,0,0|0,0,1]=2 283 B3R0.2 CC(=O)O 10994 [1,0,0,0,0,0|1,0,0]=2 284 B3R0.2 CC(=O)O 33252 [1,0,0,0,0,0|1,0,0]=2 285 B3R0.2 CC(=O)O 35566 [1,0,0,0,0,0|1,0,0]=2 286 B3R0.2 CC(=O)O 35567 [1,0,0,0,0,0|1,0,0]=2 287 B3R0.2 CC(=O)O 35569 [1,0,0,0,0,0|1,0,0]=2 288 B3R0.2 CC(=O)O 35572 [1,0,0,0,0,0|1,0,0]=2 289 B3R0.2 CC(=O)O 36289 [1,0,0,0,0,0|1,0,0]=2 290 B3R0.2 CC(=O)O 39745 [1,0,0,0,0,0|1,0,0]=2 291 B3R0.2 CC(=O)O 88556 [1,0,0,0,0,0|1,0,0]=2 292 B3R0.2 CC(=O)O A11158 [1,0,0,0,0,0|1,0,0]=2 293 B3R0.2 CC(=O)[O-] 10516 [1,0,0,0,0,0|1,0,0]=2 294 B3R0.2 CC(=O)[O-] 11660 [1,0,0,0,0,0|1,0,0]=2 295 B3R0.2 CC(=O)[O-] 12223 [1,0,0,0,0,0|1,0,0]=2 296 B3R0.2 CC(=O)[O-] 12225 [1,0,0,0,0,0|1,0,0]=2 297 B3R0.2 CC(=O)[O-] 12273 [1,0,0,0,0,0|1,0,0]=2 298 B3R0.2 CC(=O)[O-] 12351 [1,0,0,0,0,0|1,0,0]=2 299 B3R0.2 CC(=O)[O-] 12890 [1,0,0,0,0,0|1,0,0]=2 300 B3R0.2 CC(=O)[O-] 14703 [1,0,0,0,0,0|1,0,0]=2 301 B3R0.2 CC(=O)[O-] 17574 [1,0,0,0,0,0|1,0,0]=2 302 B3R0.2 CC(=O)[O-] 18239 [1,0,0,0,0,0|1,0,0]=2 303 B3R0.2 CC(=O)[O-] 19417 [1,0,0,0,0,0|1,0,0]=2 304 B3R0.2 CC(=O)[O-] 22361 [1,0,0,0,0,0|1,0,0]=2 305 B3R0.2 CC(=O)[O-] 30519 [1,0,0,0,0,0|1,0,0]=2 306 B3R0.2 CC(=O)[O-] 39610 [1,0,0,0,0,0|1,0,0]=2 307 B3R0.2 CC(=O)[O-] 39742 [1,0,0,0,0,0|1,0,0]=2 308 B3R0.2 CC(=O)[O-] 41685 [1,0,0,0,0,0|1,0,0]=2 309 B3R0.2 CC(=O)[O-] 43004 [1,0,0,0,0,0|1,0,0]=2 310 B3R0.2 CC(=O)[O-] 43086 [1,0,0,0,0,0|1,0,0]=2 311 B3R0.2 CC(=O)[O-] 44056 [1,0,0,0,0,0|1,0,0]=2 312 B3R0.2 CC(=O)[O-] 44344 [1,0,0,0,0,0|1,0,0]=2 313 B3R0.2 CC(=O)[O-] 44345 [1,0,0,0,0,0|1,0,0]=2 314 B3R0.2 CC(=O)[O-] 44433 [1,0,0,0,0,0|1,0,0]=2 315 B3R0.2 CC(=O)[O-] 44434 [1,0,0,0,0,0|1,0,0]=2 316 B3R0.2 CC(=O)[O-] 47050 [1,0,0,0,0,0|1,0,0]=2 317 B3R0.2 CC(=O)[O-] 87657 [1,0,0,0,0,0|1,0,0]=2 318 B3R0.2 CC(=O)[O-] A10316 [1,0,0,0,0,0|1,0,0]=2 319 B3R0.2 CC(=O)[O-] A11620 [1,0,0,0,0,0|1,0,0]=2 320 B3R0.2 CC(=O)[O-] A11746 [1,0,0,0,0,0|1,0,0]=2 321 B3R0.2 CC(=O)[O-] A12478 [1,0,0,0,0,0|1,0,0]=2 322 B3R0.2 CC(=O)[O-] A12909 [1,0,0,0,0,0|1,0,0]=2 323 B3R0.2 CC(=O)[O-] A13026 [1,0,0,0,0,0|1,0,0]=2 324 B3R0.2 CC(=O)[O-] A13184 [1,0,0,0,0,0|1,0,0]=2 325 B3R0.2 CC(=O)[O-] A14947 [1,0,0,0,0,0|1,0,0]=2 326 B3R0.2 CC(=O)[O-] A15551 [1,0,0,0,0,0|1,0,0]=2 327 B3R0.2 CC(=O)[O-] A16149 [1,0,0,0,0,0|1,0,0]=2 328 B3R0.2 CC(=O)[O-] A16203 [1,0,0,0,0,0|1,0,0]=2 329 B3R0.2 CC(=O)[O-] A16230 [1,0,0,0,0,0|1,0,0]=2 330 B3R0.2 CC(=O)[O-] A16321 [1,0,0,0,0,0|1,0,0]=2 331 B3R0.2 CC(=O)[O-] A16343 [1,0,0,0,0,0|1,0,0]=2 332 B3R0.2 CC(=O)[O-] A16763 [1,0,0,0,0,0|1,0,0]=2 333 B3R0.2 CC(=O)[O-] A17388 [1,0,0,0,0,0|1,0,0]=2 334 B3R0.2 CC(=O)[O-] A17414 [1,0,0,0,0,0|1,0,0]=2 335 B3R0.2 CC(=O)[O-] A17921 [1,0,0,0,0,0|1,0,0]=2 336 B3R0.2 CC(=O)[O-] A18069 [1,0,0,0,0,0|1,0,0]=2 337 B3R0.2 CC(=O)[O-] A18271 [1,0,0,0,0,0|1,0,0]=2 338 B3R0.2 CC(=O)[O-] A18374 [1,0,0,0,0,0|1,0,0]=2 339 B3R0.2 CC(=O)[O-] B23218 [1,0,0,0,0,0|1,0,0]=2 340 B3R0.2 CC(=O)[O-] B23615 [1,0,0,0,0,0|1,0,0]=2 341 B3R0.2 CC(=O)[O-] B23708 [1,0,0,0,0,0|1,0,0]=2 342 B3R0.2 CC(=O)[O-] H33734 [1,0,0,0,0,0|1,0,0]=2 343 B3R0.2 CC(=O)[O-] H34028 [1,0,0,0,0,0|1,0,0]=2 344 B3R0.2 CC(=O)[O-] L15152 [1,0,0,0,0,0|1,0,0]=2 345 B3R0.2 CC(=S)N 30638 [1,0,0,0,0,0|0,1,1]=3 346 B3R0.2 CC(=S)N A12926 [1,0,0,0,0,0|0,1,1]=3 347 B3R0.2 CC(=S)O L03305 [1,0,0,0,0,0|1,0,1]=3 348 B3R0.2 CC(=S)[O-] L05405 [1,0,0,0,0,0|1,0,1]=3 349 B3R0.2 CC(C)Br A12944 [1,0,0,0,0,0|1,0,2]=4 350 B3R0.2 CC(C)Cl L04535 [1,0,0,0,0,0|1,0,2]=4 351 B3R0.2 CC(C)I A15066 [1,0,0,0,0,0|1,0,2]=4 352 B3R0.2 CC(C)N A15044 [1,0,0,0,0,0|1,0,2]=4 353 B3R0.2 CC(C)O 19397 [1,0,0,0,0,0|0,0,3]=4 354 B3R0.2 CC(C)O 22906 [1,0,0,0,0,0|0,0,3]=4 355 B3R0.2 CC(C)O 36644 [1,0,0,0,0,0|0,0,3]=4 356 B3R0.2 CC(C)O 39194 [1,0,0,0,0,0|0,0,3]=4 357 B3R0.2 CC(C)O 40983 [1,0,0,0,0,0|0,0,3]=4 358 B3R0.2 CC(C)O 41463 [1,0,0,0,0,0|0,0,3]=4 359 B3R0.2 CC(C)O 41840 [1,0,0,0,0,0|0,0,3]=4 360 B3R0.2 CC(C)O 45648 [1,0,0,0,0,0|0,0,3]=4 361 B3R0.2 CC(C)O 45657 [1,0,0,0,0,0|0,0,3]=4 362 B3R0.2 CC(C)O 86118 [1,0,0,0,0,0|0,0,3]=4 363 B3R0.2 CC(C)O L10181 [1,0,0,0,0,0|0,0,3]=4 364 B3R0.2 CC(C)S 43422 [1,0,0,0,0,0|0,1,2]=4 365 B3R0.2 CC(C)[Mg+] 47257 [1,0,0,0,0,0|1,0,2]=4 366 B3R0.2 CC(C)[Mg+] 47266 [1,0,0,0,0,0|1,0,2]=4 367 B3R0.2 CC(C)[Mg+] 47273 [1,0,0,0,0,0|1,0,2]=4 368 B3R0.2 CC(C)[Mg+] H51155 [1,0,0,0,0,0|1,0,2]=4 369 B3R0.2 CC(C)[Mg+] H54840 [1,0,0,0,0,0|1,0,2]=4 370 B3R0.2 CC(C)[O-] 14007 [1,0,0,0,0,0|0,0,3]=4 371 B3R0.2 CC(C)[O-] 14477 [1,0,0,0,0,0|0,0,3]=4 372 B3R0.2 CC(C)[O-] 14481 [1,0,0,0,0,0|0,0,3]=4 373 B3R0.2 CC(C)[O-] 14523 [1,0,0,0,0,0|0,0,3]=4 374 B3R0.2 CC(C)[O-] 14524 [1,0,0,0,0,0|0,0,3]=4 375 B3R0.2 CC(C)[O-] 14616 [1,0,0,0,0,0|0,0,3]=4 376 B3R0.2 CC(C)[O-] 16352 [1,0,0,0,0,0|0,0,3]=4 377 B3R0.2 CC(C)[O-] 22982 [1,0,0,0,0,0|0,0,3]=4 378 B3R0.2 CC(C)[O-] 35794 [1,0,0,0,0,0|0,0,3]=4 379 B3R0.2 CC(C)[O-] 35821 [1,0,0,0,0,0|0,0,3]=4 380 B3R0.2 CC(C)[O-] 36563 [1,0,0,0,0,0|0,0,3]=4 381 B3R0.2 CC(C)[O-] 36565 [1,0,0,0,0,0|0,0,3]=4 382 B3R0.2 CC(C)[O-] 36572 [1,0,0,0,0,0|0,0,3]=4 383 B3R0.2 CC(C)[O-] 36573 [1,0,0,0,0,0|0,0,3]=4 384 B3R0.2 CC(C)[O-] 36579 [1,0,0,0,0,0|0,0,3]=4 385 B3R0.2 CC(C)[O-] 36582 [1,0,0,0,0,0|0,0,3]=4 386 B3R0.2 CC(C)[O-] 36583 [1,0,0,0,0,0|0,0,3]=4 387 B3R0.2 CC(C)[O-] 36585 [1,0,0,0,0,0|0,0,3]=4 388 B3R0.2 CC(C)[O-] 36589 [1,0,0,0,0,0|0,0,3]=4 389 B3R0.2 CC(C)[O-] 36590 [1,0,0,0,0,0|0,0,3]=4 390 B3R0.2 CC(C)[O-] 36591 [1,0,0,0,0,0|0,0,3]=4 391 B3R0.2 CC(C)[O-] 36593 [1,0,0,0,0,0|0,0,3]=4 392 B3R0.2 CC(C)[O-] 36594 [1,0,0,0,0,0|0,0,3]=4 393 B3R0.2 CC(C)[O-] 36613 [1,0,0,0,0,0|0,0,3]=4 394 B3R0.2 CC(C)[O-] 39153 [1,0,0,0,0,0|0,0,3]=4 395 B3R0.2 CC(C)[O-] 39159 [1,0,0,0,0,0|0,0,3]=4 396 B3R0.2 CC(C)[O-] 39162 [1,0,0,0,0,0|0,0,3]=4 397 B3R0.2 CC(C)[O-] 39165 [1,0,0,0,0,0|0,0,3]=4 398 B3R0.2 CC(C)[O-] 39167 [1,0,0,0,0,0|0,0,3]=4 399 B3R0.2 CC(C)[O-] 39320 [1,0,0,0,0,0|0,0,3]=4 400 B3R0.2 CC(C)[O-] 39579 [1,0,0,0,0,0|0,0,3]=4 401 B3R0.2 CC(C)[O-] 40038 [1,0,0,0,0,0|0,0,3]=4 402 B3R0.2 CC(C)[O-] 40247 [1,0,0,0,0,0|0,0,3]=4 403 B3R0.2 CC(C)[O-] 40520 [1,0,0,0,0,0|0,0,3]=4 404 B3R0.2 CC(C)[O-] 41046 [1,0,0,0,0,0|0,0,3]=4 405 B3R0.2 CC(C)[O-] 41047 [1,0,0,0,0,0|0,0,3]=4 406 B3R0.2 CC(C)[O-] 41262 [1,0,0,0,0,0|0,0,3]=4 407 B3R0.2 CC(C)[O-] 41269 [1,0,0,0,0,0|0,0,3]=4 408 B3R0.2 CC(C)[O-] 41271 [1,0,0,0,0,0|0,0,3]=4 409 B3R0.2 CC(C)[O-] 41311 [1,0,0,0,0,0|0,0,3]=4 410 B3R0.2 CC(C)[O-] 41338 [1,0,0,0,0,0|0,0,3]=4 411 B3R0.2 CC(C)[O-] 41377 [1,0,0,0,0,0|0,0,3]=4 412 B3R0.2 CC(C)[O-] 41484 [1,0,0,0,0,0|0,0,3]=4 413 B3R0.2 CC(C)[O-] 41836 [1,0,0,0,0,0|0,0,3]=4 414 B3R0.2 CC(C)[O-] 41843 [1,0,0,0,0,0|0,0,3]=4 415 B3R0.2 CC(C)[O-] 41971 [1,0,0,0,0,0|0,0,3]=4 416 B3R0.2 CC(C)[O-] 42098 [1,0,0,0,0,0|0,0,3]=4 417 B3R0.2 CC(C)[O-] 42277 [1,0,0,0,0,0|0,0,3]=4 418 B3R0.2 CC(C)[O-] 42302 [1,0,0,0,0,0|0,0,3]=4 419 B3R0.2 CC(C)[O-] 42375 [1,0,0,0,0,0|0,0,3]=4 420 B3R0.2 CC(C)[O-] 42376 [1,0,0,0,0,0|0,0,3]=4 421 B3R0.2 CC(C)[O-] 42673 [1,0,0,0,0,0|0,0,3]=4 422 B3R0.2 CC(C)[O-] 42810 [1,0,0,0,0,0|0,0,3]=4 423 B3R0.2 CC(C)[O-] 42839 [1,0,0,0,0,0|0,0,3]=4 424 B3R0.2 CC(C)[O-] 42840 [1,0,0,0,0,0|0,0,3]=4 425 B3R0.2 CC(C)[O-] 42930 [1,0,0,0,0,0|0,0,3]=4 426 B3R0.2 CC(C)[O-] 43024 [1,0,0,0,0,0|0,0,3]=4 427 B3R0.2 CC(C)[O-] 43175 [1,0,0,0,0,0|0,0,3]=4 428 B3R0.2 CC(C)[O-] 43938 [1,0,0,0,0,0|0,0,3]=4 429 B3R0.2 CC(C)[O-] 44451 [1,0,0,0,0,0|0,0,3]=4 430 B3R0.2 CC(C)[O-] 44468 [1,0,0,0,0,0|0,0,3]=4 431 B3R0.2 CC(C)[O-] 44474 [1,0,0,0,0,0|0,0,3]=4 432 B3R0.2 CC(C)[O-] 44562 [1,0,0,0,0,0|0,0,3]=4 433 B3R0.2 CC(C)[O-] 44873 [1,0,0,0,0,0|0,0,3]=4 434 B3R0.2 CC(C)[O-] 45480 [1,0,0,0,0,0|0,0,3]=4 435 B3R0.2 CC(C)[O-] 45651 [1,0,0,0,0,0|0,0,3]=4 436 B3R0.2 CC(C)[O-] 77115 [1,0,0,0,0,0|0,0,3]=4 437 B3R0.2 CC(C)[O-] 89446 [1,0,0,0,0,0|0,0,3]=4 438 B3R0.2 CC(C)[O-] 89798 [1,0,0,0,0,0|0,0,3]=4 439 B3R0.2 CC(C)[O-] A13703 [1,0,0,0,0,0|0,0,3]=4 440 B3R0.2 CC(C)[Zn+] H58536 [1,0,0,0,0,0|1,0,2]=4 441 B3R0.2 CC(Cl)Br L01910 [1,0,0,0,0,0|2,0,1]=4 442 B3R0.2 CN(C)C 42964 [1,0,0,0,0,0|2,0,1]=4 443 B3R0.2 CN(C)C 43282 [1,0,0,0,0,0|2,0,1]=4 444 B3R0.2 CN(C)C H27324 [1,0,0,0,0,0|2,0,1]=4 445 B3R0.2 CN(C)C H32899 [1,0,0,0,0,0|2,0,1]=4 446 B3R0.2 CN(C)C L00302 [1,0,0,0,0,0|2,0,1]=4 447 B3R0.2 CN(C)C L04718 [1,0,0,0,0,0|2,0,1]=4 448 B3R0.2 CP(C)C 30143 [1,0,0,0,0,0|2,0,1]=4 449 B3R0.2 CP(C)Cl 30160 [1,0,0,0,0,0|2,0,1]=4 450 B3R0.2 CP(Cl)Cl 30211 [1,0,0,0,0,0|3,0,0]=4 451 B3R0.2 CS(=O)C 22914 [1,0,0,0,0,0|1,0,1]=3 452 B3R0.2 CS(=O)C 32434 [1,0,0,0,0,0|1,0,1]=3 453 B3R0.2 CS(=O)C 36480 [1,0,0,0,0,0|1,0,1]=3 454 B3R0.2 CS(=O)C 42780 [1,0,0,0,0,0|1,0,1]=3 455 B3R0.2 CS(=O)C 43998 [1,0,0,0,0,0|1,0,1]=3 456 B3R0.2 CS(=O)C A13280 [1,0,0,0,0,0|1,0,1]=3 457 B3R0.2 CS(=O)[O-] L11360 [1,0,0,0,0,0|2,0,0]=3 458 B3R0.2 C[Al](C)C 42836 [1,0,0,0,0,0|2,0,1]=4 459 B3R0.2 C[N+](=C)C A15146 [1,0,0,0,0,0|2,0,1]=4 460 B3R0.2 C[N+](=O)[O-] A11806 [1,0,0,0,0,0|2,0,0]=3 461 B3R0.2 C[Pt+](C)C 39286 [1,0,0,0,0,0|2,0,1]=4 462 B3R0.2 C[S+](C)C A12639 [1,0,0,0,0,0|2,0,1]=4 463 B3R0.2 C[S+](C)C B25098 [1,0,0,0,0,0|2,0,1]=4 464 B3R0.2 C[SiH](C)Cl A13113 [1,0,0,0,0,0|1,1,1]=4 465 B3R0.2 C[SiH](Cl)Cl 14079 [1,0,0,0,0,0|2,1,0]=4 466 B3R0.2 C[Sn+](C)C 71153 [1,0,0,0,0,0|2,0,1]=4 467 B3R0.2 C[Sn+](C)C 71166 [1,0,0,0,0,0|2,0,1]=4 468 B3R0.2 C[Sn+](C)C 71167 [1,0,0,0,0,0|2,0,1]=4 469 B3R0.2 C[Sn+](C)C H59406 [1,0,0,0,0,0|2,0,1]=4 470 B3R0.2 O=S(Br)Br L15648 [1,0,0,0,0,0|3,0,0]=4 471 B3R0.2 O=S(Cl)Cl 41868 [1,0,0,0,0,0|3,0,0]=4 472 B3R0.2 O=S(Cl)Cl H31857 [1,0,0,0,0,0|3,0,0]=4 473 B3R0.2 OI(=O)=O A11925 [1,0,0,0,0,0|3,0,0]=4 474 B3R0.2 OP(=O)=O B20932 [1,0,0,0,0,0|3,0,0]=4 475 B3R0.2 OS(=O)[O-] A16194 [1,0,0,0,0,0|3,0,0]=4 476 B3R0.2 O[Se](=O)[O-] A12173 [1,0,0,0,0,0|3,0,0]=4 477 B3R0.2 [N+](=O)([O-])[O-] 11035 [1,0,0,0,0,0|3,0,0]=4 478 B3R0.2 [N+](=O)([O-])[O-] 11414 [1,0,0,0,0,0|3,0,0]=4 479 B3R0.2 [N+](=O)([O-])[O-] 12167 [1,0,0,0,0,0|3,0,0]=4 480 B3R0.2 [N+](=O)([O-])[O-] 12175 [1,0,0,0,0,0|3,0,0]=4 481 B3R0.2 [N+](=O)([O-])[O-] 12621 [1,0,0,0,0,0|3,0,0]=4 482 B3R0.2 [N+](=O)([O-])[O-] 12630 [1,0,0,0,0,0|3,0,0]=4 483 B3R0.2 [N+](=O)([O-])[O-] 12633 [1,0,0,0,0,0|3,0,0]=4 484 B3R0.2 [N+](=O)([O-])[O-] 35749 [1,0,0,0,0,0|3,0,0]=4 485 B3R0.2 [N+](=O)([O-])[O-] 41647 [1,0,0,0,0,0|3,0,0]=4 486 B3R0.2 [N+](=O)([O-])[O-] 43897 [1,0,0,0,0,0|3,0,0]=4 487 B3R0.2 [N+](=O)([O-])[O-] 45512 [1,0,0,0,0,0|3,0,0]=4 488 B3R0.2 [N+](=O)([O-])[O-] 88960 [1,0,0,0,0,0|3,0,0]=4 489 B3R0.2 [N+](=O)([O-])[O-] A10329 [1,0,0,0,0,0|3,0,0]=4 490 B3R0.2 [N+](=O)([O-])[O-] A11305 [1,0,0,0,0,0|3,0,0]=4 491 B3R0.2 [N+](=O)([O-])[O-] A11748 [1,0,0,0,0,0|3,0,0]=4 492 B3R0.2 [N+](=O)([O-])[O-] A12327 [1,0,0,0,0,0|3,0,0]=4 493 B3R0.2 [N+](=O)([O-])[O-] A12882 [1,0,0,0,0,0|3,0,0]=4 494 B3R0.2 [N+](=O)([O-])[O-] A13854 [1,0,0,0,0,0|3,0,0]=4 495 B3R0.2 [N+](=O)([O-])[O-] A14527 [1,0,0,0,0,0|3,0,0]=4 496 B3R0.2 [N+](=O)([O-])[O-] A14890 [1,0,0,0,0,0|3,0,0]=4 497 B3R0.2 [N+](=O)([O-])[O-] A15540 [1,0,0,0,0,0|3,0,0]=4 498 B3R0.2 [N+](=O)([O-])[O-] A16268 [1,0,0,0,0,0|3,0,0]=4 499 B3R0.2 [N+](=O)([O-])[O-] A16282 [1,0,0,0,0,0|3,0,0]=4 500 B3R0.2 [N+](=O)([O-])[O-] A16345 [1,0,0,0,0,0|3,0,0]=4 501 B3R0.2 [N+](=O)([O-])[O-] A16645 [1,0,0,0,0,0|3,0,0]=4 502 B3R0.2 [N+](=O)([O-])[O-] A17399 [1,0,0,0,0,0|3,0,0]=4 503 B3R0.2 [N+](=O)([O-])[O-] A18252 [1,0,0,0,0,0|3,0,0]=4 504 B3R0.2 [N+](=O)([O-])[O-] A18521 [1,0,0,0,0,0|3,0,0]=4 505 B3R0.2 [N+](=O)([O-])[O-] B23002 [1,0,0,0,0,0|3,0,0]=4 506 B3R0.2 [N+](=O)([O-])[O-] H37737 [1,0,0,0,0,0|3,0,0]=4 507 B3R0.2 [N+](=O)([O-])[O-] L14040 [1,0,0,0,0,0|3,0,0]=4 508 B3R0.2 [O-]Br(=O)=O A11008 [1,0,0,0,0,0|3,0,0]=4 509 B3R0.2 [O-]Br(=O)=O A17964 [1,0,0,0,0,0|3,0,0]=4 510 B3R0.2 [O-]Br(=O)=O A18258 [1,0,0,0,0,0|3,0,0]=4 511 B3R0.2 [O-]Cl(=O)=O A10128 [1,0,0,0,0,0|3,0,0]=4 512 B3R0.2 [O-]Cl(=O)=O A17075 [1,0,0,0,0,0|3,0,0]=4 513 B3R0.2 [O-]I(=O)=O 40109 [1,0,0,0,0,0|3,0,0]=4 514 B3R0.2 [O-]I(=O)=O A16162 [1,0,0,0,0,0|3,0,0]=4 515 B3R0.2 [O-]S(=O)[O-] A11227 [1,0,0,0,0,0|3,0,0]=4 516 B3R0.2 [O-]S(=O)[O-] A17351 [1,0,0,0,0,0|3,0,0]=4 517 B3R0.2 [O-]S(=O)[O-] A17933 [1,0,0,0,0,0|3,0,0]=4 518 B3R0.2 [O-][Se](=O)[O-] A17451 [1,0,0,0,0,0|3,0,0]=4 519 B3R0.2 [O-][Si](=O)[O-] 43807 [1,0,0,0,0,0|2,1,0]=4 520 B3R0.2 [O-][Si](=O)[O-] B21870 [1,0,0,0,0,0|2,1,0]=4 521 B3R0.2 [O-][Si](=O)[O-] B22490 [1,0,0,0,0,0|2,1,0]=4 522 B3R0.2 [O-][Te](=O)[O-] A17476 [1,0,0,0,0,0|3,0,0]=4 523 B3R0.2 [O-][Ti](=O)[O-] A17366 [1,0,0,0,0,0|3,0,0]=4 524 B3R0.2 [O-][V](=O)=O 44828 [1,0,0,0,0,0|3,0,0]=4 525 B5R0.1 C(#N)NC(=O)N A10451 [0,1,0,0,0,0|1,0,0]=2 526 B5R0.1 C(=C/Cl)/C(=O)O A14798 [0,1,0,0,0,0|2,0,1]=4 527 B5R0.1 C(=C\Cl)/C(=O)O A15527 [0,1,0,0,0,0|2,0,1]=4 528 B5R0.1 C(C#N)C(=O)N A12482 [0,1,0,0,0,0|1,0,0]=2 529 B5R0.1 C(C#N)C(=O)O A11045 [0,1,0,0,0,0|1,0,0]=2 530 B5R0.1 C(C#N)C(=S)N A15436 [0,1,0,0,0,0|1,1,0]=3 531 B5R0.1 C(CBr)C(=O)Cl A10846 [0,1,0,0,0,0|2,0,1]=4 532 B5R0.1 C(CBr)C(=O)O A11573 [0,1,0,0,0,0|2,0,1]=4 533 B5R0.1 C(CCl)C(=O)Cl B25698 [0,1,0,0,0,0|2,0,1]=4 534 B5R0.1 C(CCl)C(=O)O B21744 [0,1,0,0,0,0|2,0,1]=4 535 B5R0.1 C(CI)C(=O)O L02655 [0,1,0,0,0,0|2,0,1]=4 536 B5R0.1 C(CN)C(=O)N H65365 [0,1,0,0,0,0|1,0,2]=4 537 B5R0.1 C(CN)C(=O)O A16665 [0,1,0,0,0,0|1,0,2]=4 538 B5R0.1 C(CS)C(=O)O A13261 [0,1,0,0,0,0|2,0,1]=4 539 B5R0.1 C(OC(=O)Cl)Cl L09527 [0,1,0,0,0,0|2,0,1]=4 540 B5R0.1 C=CCC(=O)O L07557 [0,1,0,0,0,0|2,0,1]=4 541 B5R0.1 CC#CC(=O)O A15542 [0,1,0,0,0,0|2,0,0]=3 542 B5R0.1 CC#CC(C)C H53442 [0,1,0,0,0,0|2,0,1]=4 543 B5R0.1 CC(=C)CCO B23398 [0,1,0,0,0,0|2,0,1]=4 544 B5R0.1 CC(=CC=O)C B22226 [0,1,0,0,0,0|2,0,1]=4 545 B5R0.1 CC(=CCBr)C A13388 [0,1,0,0,0,0|2,0,1]=4 546 B5R0.1 CC(=CCCl)C A16545 [0,1,0,0,0,0|2,0,1]=4 547 B5R0.1 CC(=CCO)C A16089 [0,1,0,0,0,0|2,0,1]=4 548 B5R0.1 CC(=CCO)C H36436 [0,1,0,0,0,0|2,0,1]=4 549 B5R0.1 CC(=O)CC#N H64536 [0,1,0,0,0,0|0,0,0]=1 550 B5R0.1 CC(=O)CCO L11456 [0,1,0,0,0,0|1,0,1]=3 551 B5R0.1 CC(=O)CSC B24149 [0,1,0,0,0,0|1,0,1]=3 552 B5R0.1 CC(=O)NCO A13820 [0,1,0,0,0,0|1,0,1]=3 553 B5R0.1 CC(=O)OC=C A16247 [0,1,0,0,0,0|1,0,1]=3 554 B5R0.1 CC(=O)OCBr H56755 [0,1,0,0,0,0|1,0,1]=3 555 B5R0.1 CC(C)CC#C L05537 [0,1,0,0,0,0|2,0,1]=4 556 B5R0.1 CC(CC#C)O L02752 [0,1,0,0,0,0|1,0,2]=4 557 B5R0.1 CCCC(=C)C H53373 [0,1,0,0,0,0|2,0,1]=4 558 B5R0.1 CCCC(=O)C L13262 [0,1,0,0,0,0|1,0,1]=3 559 B5R0.1 CCCC(=O)Cl A17575 [0,1,0,0,0,0|2,0,1]=4 560 B5R0.1 CCCC(=O)N A12494 [0,1,0,0,0,0|2,0,1]=4 561 B5R0.1 CCCC(=O)O L13189 [0,1,0,0,0,0|2,0,1]=4 562 B5R0.1 CCCC(=O)[O-] A11079 [0,1,0,0,0,0|2,0,1]=4 563 B5R0.1 CCNC(=O)C L10300 [0,1,0,0,0,0|1,0,1]=3 564 B5R0.1 CCNC(=O)N B24040 [0,1,0,0,0,0|2,0,1]=4 565 B5R0.1 CCOC(=N)C A18618 [0,1,0,0,0,0|2,0,1]=4 566 B5R0.1 CCOC(=O)C 22912 [0,1,0,0,0,0|1,0,1]=3 567 B5R0.1 CCOC(=O)C 31344 [0,1,0,0,0,0|1,0,1]=3 568 B5R0.1 CCOC(=O)C 39177 [0,1,0,0,0,0|1,0,1]=3 569 B5R0.1 CCOC(=O)C 40977 [0,1,0,0,0,0|1,0,1]=3 570 B5R0.1 CCOC(=O)C L10925 [0,1,0,0,0,0|1,0,1]=3 571 B5R0.1 CCOC(=O)Cl L06311 [0,1,0,0,0,0|2,0,1]=4 572 B5R0.1 CCOC(=O)N 44804 [0,1,0,0,0,0|2,0,1]=4 573 B5R0.1 CCSC(=O)C A10680 [0,1,0,0,0,0|1,0,1]=3 574 B5R0.1 CN(C)CC#C L12336 [0,1,0,0,0,0|3,0,0]=4 575 B5R0.1 CN(C)CC#N B25085 [0,1,0,0,0,0|2,0,0]=3 576 B5R0.1 CNCC(=O)N H65993 [0,1,0,0,0,0|1,0,2]=4 577 B5R0.1 CNCC(=O)O A14594 [0,1,0,0,0,0|1,0,2]=4 578 B5R0.1 CNCC(=O)O B25536 [0,1,0,0,0,0|1,0,2]=4 579 B5R0.1 COCC(=O)Cl L03210 [0,1,0,0,0,0|2,0,1]=4 580 B5R0.1 COCC(=O)O B22917 [0,1,0,0,0,0|2,0,1]=4 581 B5R0.1 CSCC(=O)O B22531 [0,1,0,0,0,0|2,0,1]=4 582 B5R0.1 CSCS(=O)C L00510 [0,1,0,0,0,0|2,0,1]=4 583 B5R0.1 C\C(=C\C#N)\N L05316 [0,1,0,0,0,0|1,0,0]=2 584 B5R0.1 C\C(=C\CCl)\Cl L20334 [0,1,0,0,0,0|2,0,1]=4 585 B5R0.1 C\C=C\C(=O)C L13031 [0,1,0,0,0,0|1,0,1]=3 586 B5R0.1 C\C=C\C(=O)Cl A13710 [0,1,0,0,0,0|2,0,1]=4 587 B5R0.1 C\C=C\C(=O)O A15765 [0,1,0,0,0,0|2,0,1]=4 588 B5R0.3 C(=O)(NN)NN A11145 [0,1,0,0,0,0|2,0,1]=4 589 B5R0.3 C(C(=O)CBr)Br H37325 [0,1,0,0,0,0|1,0,1]=3 590 B5R0.3 C(C(=O)CCl)Cl 22302 [0,1,0,0,0,0|1,0,1]=3 591 B5R0.3 C(C(=O)CCl)Cl A14149 [0,1,0,0,0,0|1,0,1]=3 592 B5R0.3 C(C(=O)CF)F H51145 [0,1,0,0,0,0|1,0,1]=3 593 B5R0.3 C(C(C#N)Cl)Cl A17438 [0,1,0,0,0,0|1,0,1]=3 594 B5R0.3 CCC(=C)C=O B21839 [0,1,0,0,0,0|1,0,2]=4 595 B5R0.3 CCC(=C)CC L11553 [0,1,0,0,0,0|2,0,1]=4 596 B5R0.3 CCC(=O)C=C L06829 [0,1,0,0,0,0|1,0,1]=3 597 B5R0.3 CCC(=O)CBr L12081 [0,1,0,0,0,0|1,0,1]=3 598 B5R0.3 CCC(=O)CC A15297 [0,1,0,0,0,0|1,0,1]=3 599 B5R0.3 CCC(=O)OC A14944 [0,1,0,0,0,0|1,0,1]=3 600 B5R0.3 CCC(C#C)O B24853 [0,1,0,0,0,0|1,0,2]=4 601 B5R0.3 CCC(C)C=O A19650 [0,1,0,0,0,0|1,0,2]=4 602 B5R0.3 CCP(=O)CC H27768 [0,1,0,0,0,0|2,0,1]=4 603 B5R0.3 CC\C(=N\O)\C L08196 [0,1,0,0,0,0|1,0,2]=4 604 B5R0.3 CC\C(=N\O)\N H50889 [0,1,0,0,0,0|3,0,0]=4 605 B5R0.3 CNC(=N)SC H27439 [0,1,0,0,0,0|3,0,0]=4 606 B5R0.3 CNC(=O)CCl H32362 [0,1,0,0,0,0|1,0,1]=3 607 B5R0.3 CNC(=O)CN H65367 [0,1,0,0,0,0|0,0,2]=3 608 B5R0.3 CNC(=O)NC B21329 [0,1,0,0,0,0|2,0,0]=3 609 B5R0.3 CNC(=S)NN B21138 [0,1,0,0,0,0|1,1,1]=4 610 B5R0.3 COC(=O)C#C A14743 [0,1,0,0,0,0|1,0,0]=2 611 B5R0.3 COC(=O)C=C A13128 [0,1,0,0,0,0|1,0,1]=3 612 B5R0.3 COC(=O)CBr A10605 [0,1,0,0,0,0|1,0,1]=3 613 B5R0.3 COC(=O)CCl A10325 [0,1,0,0,0,0|1,0,1]=3 614 B5R0.3 COC(=O)CN A14083 [0,1,0,0,0,0|0,0,2]=3 615 B5R0.3 COC(=O)CO A17870 [0,1,0,0,0,0|1,0,1]=3 616 B5R0.3 COC(=O)CS L03783 [0,1,0,0,0,0|1,0,1]=3 617 B5R0.3 COC(=O)NN A14548 [0,1,0,0,0,0|1,0,1]=3 618 B5R0.3 COC(=O)OC A13104 [0,1,0,0,0,0|2,0,0]=3 619 B5R0.3 COC(=O)SCl L04350 [0,1,0,0,0,0|2,0,0]=3 620 B5R0.3 C\C=C(/C)\C=O L08113 [0,1,0,0,0,0|1,0,1]=3 621 B5R0.4 C(#N)C(Cl)(Cl)Cl A10565 [0,1,0,0,0,0|2,0,1]=4 622 B5R0.4 CC(C)(C#C)Cl B25252 [0,1,0,0,0,0|2,0,1]=4 623 B5R0.4 CC(C)(C#C)N H53448 [0,1,0,0,0,0|2,0,1]=4 624 B5R0.4 CC(C)(C#C)O L07593 [0,1,0,0,0,0|1,0,2]=4 625 B5R0.4 CC(C)(C)C#C A14013 [0,1,0,0,0,0|2,0,1]=4 626 B5R0.4 CC(C)(C)C#N A12011 [0,1,0,0,0,0|1,0,1]=3 627 B5R0.4 COS(=O)(=O)C H55120 [0,1,0,0,0,0|3,0,0]=4 628 B5R0.4 CS(=O)(=O)C=C L01519 [0,1,0,0,0,0|2,0,1]=4 629 B5R0.4 C[Si](C)(C)C#C A12856 [0,1,0,0,0,0|2,1,0]=4 630 B5R0.4 C[Si](C)(C)C#N A19598 [0,1,0,0,0,0|1,1,0]=3 631 B5R0.4 [2H]C([2H])([2H])C#N 42264 [0,1,0,0,0,0|2,0,1]=4 632 B5R0.4 [2H]C([2H])([2H])C#N 42266 [0,1,0,0,0,0|2,0,1]=4 633 B5R0.5 C(=O)(C(=O)Cl)Cl A18012 [0,1,0,0,0,0|2,0,1]=4 634 B5R0.5 C(=O)(C(=O)Cl)Cl H31617 [0,1,0,0,0,0|2,0,1]=4 635 B5R0.5 C(=O)(C(=O)N)N A11570 [0,1,0,0,0,0|1,0,2]=4 636 B5R0.5 C(=O)(C(=O)O)N B20344 [0,1,0,0,0,0|1,0,2]=4 637 B5R0.5 C(=O)(C(=O)O)O 33262 [0,1,0,0,0,0|2,0,1]=4 638 B5R0.5 C(=O)(C(=O)O)O 35617 [0,1,0,0,0,0|2,0,1]=4 639 B5R0.5 C(=O)(C(=O)O)O 35619 [0,1,0,0,0,0|2,0,1]=4 640 B5R0.5 C(=O)(C(=O)O)O 35622 [0,1,0,0,0,0|2,0,1]=4 641 B5R0.5 C(=O)(C(=O)O)O 44410 [0,1,0,0,0,0|2,0,1]=4 642 B5R0.5 C(=O)(C(=O)O)O A13866 [0,1,0,0,0,0|2,0,1]=4 643 B5R0.5 C(=O)(C(=O)[O-])N A16532 [0,1,0,0,0,0|1,0,2]=4 644 B5R0.5 C(=O)(C(=O)[O-])[O-] 13426 [0,1,0,0,0,0|2,0,1]=4 645 B5R0.5 C(=O)(C(=O)[O-])[O-] 13452 [0,1,0,0,0,0|2,0,1]=4 646 B5R0.5 C(=O)(C(=O)[O-])[O-] 14113 [0,1,0,0,0,0|2,0,1]=4 647 B5R0.5 C(=O)(C(=O)[O-])[O-] 14685 [0,1,0,0,0,0|2,0,1]=4 648 B5R0.5 C(=O)(C(=O)[O-])[O-] 31116 [0,1,0,0,0,0|2,0,1]=4 649 B5R0.5 C(=O)(C(=O)[O-])[O-] 31124 [0,1,0,0,0,0|2,0,1]=4 650 B5R0.5 C(=O)(C(=O)[O-])[O-] 32430 [0,1,0,0,0,0|2,0,1]=4 651 B5R0.5 C(=O)(C(=O)[O-])[O-] 36228 [0,1,0,0,0,0|2,0,1]=4 652 B5R0.5 C(=O)(C(=O)[O-])[O-] 39261 [0,1,0,0,0,0|2,0,1]=4 653 B5R0.5 C(=O)(C(=O)[O-])[O-] 39454 [0,1,0,0,0,0|2,0,1]=4 654 B5R0.5 C(=O)(C(=O)[O-])[O-] 39573 [0,1,0,0,0,0|2,0,1]=4 655 B5R0.5 C(=O)(C(=O)[O-])[O-] 39625 [0,1,0,0,0,0|2,0,1]=4 656 B5R0.5 C(=O)(C(=O)[O-])[O-] 40757 [0,1,0,0,0,0|2,0,1]=4 657 B5R0.5 C(=O)(C(=O)[O-])[O-] 41759 [0,1,0,0,0,0|2,0,1]=4 658 B5R0.5 C(=O)(C(=O)[O-])[O-] 42112 [0,1,0,0,0,0|2,0,1]=4 659 B5R0.5 C(=O)(C(=O)[O-])[O-] 42898 [0,1,0,0,0,0|2,0,1]=4 660 B5R0.5 C(=O)(C(=O)[O-])[O-] 44149 [0,1,0,0,0,0|2,0,1]=4 661 B5R0.5 C(=O)(C(=O)[O-])[O-] 47123 [0,1,0,0,0,0|2,0,1]=4 662 B5R0.5 C(=O)(C(=O)[O-])[O-] 87758 [0,1,0,0,0,0|2,0,1]=4 663 B5R0.5 C(=O)(C(=O)[O-])[O-] 89620 [0,1,0,0,0,0|2,0,1]=4 664 B5R0.5 C(=O)(C(=O)[O-])[O-] A10263 [0,1,0,0,0,0|2,0,1]=4 665 B5R0.5 C(=O)(C(=O)[O-])[O-] A11648 [0,1,0,0,0,0|2,0,1]=4 666 B5R0.5 C(=O)(C(=O)[O-])[O-] A11689 [0,1,0,0,0,0|2,0,1]=4 667 B5R0.5 C(=O)(C(=O)[O-])[O-] A12289 [0,1,0,0,0,0|2,0,1]=4 668 B5R0.5 C(=O)(C(=O)[O-])[O-] A13479 [0,1,0,0,0,0|2,0,1]=4 669 B5R0.5 C(=O)(C(=O)[O-])[O-] A14933 [0,1,0,0,0,0|2,0,1]=4 670 B5R0.5 C(=O)(C(=O)[O-])[O-] A15365 [0,1,0,0,0,0|2,0,1]=4 671 B5R0.5 C(=O)(C(=O)[O-])[O-] A18420 [0,1,0,0,0,0|2,0,1]=4 672 B5R0.5 C(=O)(C(=O)[O-])[O-] B21411 [0,1,0,0,0,0|2,0,1]=4 673 B5R0.5 C(=O)(C(=O)[O-])[O-] B22956 [0,1,0,0,0,0|2,0,1]=4 674 B5R0.5 C(C(=O)Cl)(Cl)Cl B22296 [0,1,0,0,0,0|2,0,1]=4 675 B5R0.5 C(C(=O)N)(Cl)Cl L00315 [0,1,0,0,0,0|2,0,1]=4 676 B5R0.5 C(C(=O)O)(Cl)Cl 31249 [0,1,0,0,0,0|2,0,1]=4 677 B5R0.5 C(C(=O)O)(Cl)Cl A14740 [0,1,0,0,0,0|2,0,1]=4 678 B5R0.5 C(C(=O)O)(F)F A12787 [0,1,0,0,0,0|2,0,1]=4 679 B5R0.5 C(C(=O)[O-])(Cl)Cl B21827 [0,1,0,0,0,0|2,0,1]=4 680 B5R0.5 C=C(C(=O)O)Br L01194 [0,1,0,0,0,0|2,0,1]=4 681 B5R0.5 C=C(C(=O)O)Cl L00350 [0,1,0,0,0,0|2,0,1]=4 682 B5R0.5 CC(=C(C)C)C A13201 [0,1,0,0,0,0|2,0,1]=4 683 B5R0.5 CC(=C)C(=C)C L04207 [0,1,0,0,0,0|2,0,1]=4 684 B5R0.5 CC(=C)C(=O)Cl L14511 [0,1,0,0,0,0|2,0,1]=4 685 B5R0.5 CC(=C)C(=O)N L15013 [0,1,0,0,0,0|1,0,2]=4 686 B5R0.5 CC(=C)C(=O)O 15546 [0,1,0,0,0,0|2,0,1]=4 687 B5R0.5 CC(=C)C(=O)O A11543 [0,1,0,0,0,0|2,0,1]=4 688 B5R0.5 CC(=C)C(=O)[O-] 41569 [0,1,0,0,0,0|2,0,1]=4 689 B5R0.5 CC(=C)C(=O)[O-] 41621 [0,1,0,0,0,0|2,0,1]=4 690 B5R0.5 CC(=C)C(=O)[O-] L09272 [0,1,0,0,0,0|2,0,1]=4 691 B5R0.5 CC(=O)C(=O)C A14217 [0,1,0,0,0,0|1,0,1]=3 692 B5R0.5 CC(=O)C(=O)O A13875 [0,1,0,0,0,0|1,0,1]=3 693 B5R0.5 CC(=O)C(=O)[O-] A11148 [0,1,0,0,0,0|1,0,1]=3 694 B5R0.5 CC(=O)C(=O)[O-] A16308 [0,1,0,0,0,0|1,0,1]=3 695 B5R0.5 CC(=O)C(=O)[O-] B25204 [0,1,0,0,0,0|1,0,1]=3 696 B5R0.5 CC(=O)C(Cl)Cl L10367 [0,1,0,0,0,0|1,0,1]=3 697 B5R0.5 CC(=O)N(C)C 22916 [0,1,0,0,0,0|2,0,0]=3 698 B5R0.5 CC(=O)N(C)C 44913 [0,1,0,0,0,0|2,0,0]=3 699 B5R0.5 CC(=O)N(C)C A10924 [0,1,0,0,0,0|2,0,0]=3 700 B5R0.5 CC(=S)N(C)C B20020 [0,1,0,0,0,0|2,1,0]=4 701 B5R0.5 CC(C(=O)Br)Br B22504 [0,1,0,0,0,0|2,0,1]=4 702 B5R0.5 CC(C(=O)C)Br A10186 [0,1,0,0,0,0|1,0,1]=3 703 B5R0.5 CC(C(=O)C)Cl L14158 [0,1,0,0,0,0|1,0,1]=3 704 B5R0.5 CC(C(=O)C)O A13752 [0,1,0,0,0,0|1,0,1]=3 705 B5R0.5 CC(C(=O)C)S B22494 [0,1,0,0,0,0|1,0,1]=3 706 B5R0.5 CC(C(=O)Cl)Br B23662 [0,1,0,0,0,0|2,0,1]=4 707 B5R0.5 CC(C(=O)Cl)Cl B24503 [0,1,0,0,0,0|2,0,1]=4 708 B5R0.5 CC(C(=O)O)Br A17569 [0,1,0,0,0,0|2,0,1]=4 709 B5R0.5 CC(C(=O)O)Cl A12860 [0,1,0,0,0,0|2,0,1]=4 710 B5R0.5 CC(C(=O)O)F H25841 [0,1,0,0,0,0|2,0,1]=4 711 B5R0.5 CC(C(=O)O)N A12230 [0,1,0,0,0,0|1,0,2]=4 712 B5R0.5 CC(C(=O)O)O 36415 [0,1,0,0,0,0|2,0,1]=4 713 B5R0.5 CC(C(=O)O)O L14259 [0,1,0,0,0,0|2,0,1]=4 714 B5R0.5 CC(C(=O)O)S L10257 [0,1,0,0,0,0|2,0,1]=4 715 B5R0.5 CC(C(=O)[O-])O 20835 [0,1,0,0,0,0|2,0,1]=4 716 B5R0.5 CC(C(=O)[O-])O 39122 [0,1,0,0,0,0|2,0,1]=4 717 B5R0.5 CC(C(=O)[O-])O 39369 [0,1,0,0,0,0|2,0,1]=4 718 B5R0.5 CC(C(=O)[O-])O 41529 [0,1,0,0,0,0|2,0,1]=4 719 B5R0.5 CC(C(=O)[O-])O 44858 [0,1,0,0,0,0|2,0,1]=4 720 B5R0.5 CC(C(=O)[O-])O B23643 [0,1,0,0,0,0|2,0,1]=4 721 B5R0.5 CC(C(=O)[O-])[O-] 42676 [0,1,0,0,0,0|2,0,1]=4 722 B5R0.5 CC(C)C(=C)C L05675 [0,1,0,0,0,0|2,0,1]=4 723 B5R0.5 CC(C)C(=O)C B24527 [0,1,0,0,0,0|1,0,1]=3 724 B5R0.5 CC(C)C(=O)Cl B24472 [0,1,0,0,0,0|2,0,1]=4 725 B5R0.5 CC(C)C(=O)N B21641 [0,1,0,0,0,0|2,0,1]=4 726 B5R0.5 CC(C)C(=O)O L04038 [0,1,0,0,0,0|2,0,1]=4 727 B5R0.5 CC(C)C(=O)[O-] 39372 [0,1,0,0,0,0|2,0,1]=4 728 B5R0.5 CC(C)C(=O)[O-] 46786 [0,1,0,0,0,0|2,0,1]=4 729 B5R0.5 CN(C)C(=O)Cl L03415 [0,1,0,0,0,0|3,0,0]=4 730 B5R0.5 CN(C)C(=O)N L05065 [0,1,0,0,0,0|3,0,0]=4 731 B5R0.5 C[C@@H](C(=O)N)N H63019 [0,1,0,0,0,0|1,0,2]=4 732 B5R0.5 C[C@@H](C(=O)O)Cl L09427 [0,1,0,0,0,0|2,0,1]=4 733 B5R0.5 C[C@@H](C(=O)O)N A15804 [0,1,0,0,0,0|1,0,2]=4 734 B5R0.5 C[C@@H](C(=O)O)O A17268 [0,1,0,0,0,0|2,0,1]=4 735 B5R0.5 C[C@@H](C(=O)O)O L13242 [0,1,0,0,0,0|2,0,1]=4 736 B5R0.5 C[C@@H](C(=O)[O-])O A11818 [0,1,0,0,0,0|2,0,1]=4 737 B5R0.5 C[C@@H](C(=O)[O-])O L14500 [0,1,0,0,0,0|2,0,1]=4 738 B5R0.5 C[C@H](C(=O)N)N H63535 [0,1,0,0,0,0|1,0,2]=4 739 B5R0.5 C[C@H](C(=O)O)N A10231 [0,1,0,0,0,0|1,0,2]=4 740 B5R1.2 C1C(=O)CO1 H57870 [0,0,0,1,0,0|1,0,1]=3 741 B5R1.2 C1CC(=O)C1 A13068 [0,0,0,1,0,0|1,0,1]=3 742 B5R1.2 C1COC1=O B23197 [0,0,0,1,0,0|2,0,0]=3 743 B5R1.3 C#CC1CC1 H53440 [0,0,0,1,0,0|2,0,1]=4 744 B5R1.3 C1C(N1)C#N A17162 [0,0,0,1,0,0|1,0,1]=3 745 B5R1.3 C1CC1C#N A11125 [0,0,0,1,0,0|1,0,1]=3 746 B2R0.1 C(#N)Br 32731 [2,0,0,0,0,0|1,0,0]=3 747 B2R0.1 C(#N)N L03744 [2,0,0,0,0,0|1,0,0]=3 748 B2R0.1 C(#N)N L20448 [2,0,0,0,0,0|1,0,0]=3 749 B2R0.1 C(#N)[O-] 45411 [2,0,0,0,0,0|0,0,1]=3 750 B2R0.1 C(#N)[O-] A12413 [2,0,0,0,0,0|0,0,1]=3 751 B2R0.1 C(#N)[S-] 11897 [2,0,0,0,0,0|0,1,0]=3 752 B2R0.1 C(#N)[S-] A10632 [2,0,0,0,0,0|0,1,0]=3 753 B2R0.1 C(#N)[S-] A11867 [2,0,0,0,0,0|0,1,0]=3 754 B2R0.1 C(#N)[S-] A13686 [2,0,0,0,0,0|0,1,0]=3 755 B2R0.1 C(#N)[S-] A13731 [2,0,0,0,0,0|0,1,0]=3 756 B2R0.1 C(#N)[S-] B23460 [2,0,0,0,0,0|0,1,0]=3 757 B2R0.1 C(=N)N H60947 [2,0,0,0,0,0|1,0,1]=4 758 B2R0.1 C(=O)N 14835 [2,0,0,0,0,0|0,0,1]=3 759 B2R0.1 C(=O)N 44066 [2,0,0,0,0,0|0,0,1]=3 760 B2R0.1 C(=O)N A11076 [2,0,0,0,0,0|0,0,1]=3 761 B2R0.1 C(=O)O 36504 [2,0,0,0,0,0|1,0,0]=3 762 B2R0.1 C(=O)O 36617 [2,0,0,0,0,0|1,0,0]=3 763 B2R0.1 C(=O)O A13285 [2,0,0,0,0,0|1,0,0]=3 764 B2R0.1 C(=O)O L17434 [2,0,0,0,0,0|1,0,0]=3 765 B2R0.1 C(=O)[O-] 13499 [2,0,0,0,0,0|1,0,0]=3 766 B2R0.1 C(=O)[O-] 14517 [2,0,0,0,0,0|1,0,0]=3 767 B2R0.1 C(=O)[O-] A10699 [2,0,0,0,0,0|1,0,0]=3 768 B2R0.1 C(=O)[O-] A14357 [2,0,0,0,0,0|1,0,0]=3 769 B2R0.1 C(=O)[O-] A14551 [2,0,0,0,0,0|1,0,0]=3 770 B2R0.1 C(=O)[O-] A17432 [2,0,0,0,0,0|1,0,0]=3 771 B2R0.1 C(=O)[O-] A17813 [2,0,0,0,0,0|1,0,0]=3 772 B2R0.1 C(=O)[O-] A18569 [2,0,0,0,0,0|1,0,0]=3 773 B2R0.1 C(=O)[O-] A18916 [2,0,0,0,0,0|1,0,0]=3 774 B2R0.1 C(=O)[O-] A19622 [2,0,0,0,0,0|1,0,0]=3 775 B2R0.1 C(=O)[O-] B21327 [2,0,0,0,0,0|1,0,0]=3 776 B2R0.1 C(=O)[O-] B24210 [2,0,0,0,0,0|1,0,0]=3 777 B2R0.1 C=CI L12656 [2,0,0,0,0,0|1,0,1]=4 778 B2R0.1 CC#N 10002 [2,0,0,0,0,0|0,0,0]=2 779 B2R0.1 CC#N 22927 [2,0,0,0,0,0|0,0,0]=2 780 B2R0.1 CC#N 32470 [2,0,0,0,0,0|0,0,0]=2 781 B2R0.1 CC#N 36423 [2,0,0,0,0,0|0,0,0]=2 782 B2R0.1 CC#N 40972 [2,0,0,0,0,0|0,0,0]=2 783 B2R0.1 CC#N 42311 [2,0,0,0,0,0|0,0,0]=2 784 B2R0.1 CC#N 42879 [2,0,0,0,0,0|0,0,0]=2 785 B2R0.1 CC#N 42880 [2,0,0,0,0,0|0,0,0]=2 786 B2R0.1 CC#N 43166 [2,0,0,0,0,0|0,0,0]=2 787 B2R0.1 CC#N 43440 [2,0,0,0,0,0|0,0,0]=2 788 B2R0.1 CC#N 47138 [2,0,0,0,0,0|0,0,0]=2 789 B2R0.1 CC#N A19862 [2,0,0,0,0,0|0,0,0]=2 790 B2R0.1 CC#N H33387 [2,0,0,0,0,0|0,0,0]=2 791 B2R0.1 CC=O 33244 [2,0,0,0,0,0|0,0,0]=2 792 B2R0.1 CCBr A12804 [2,0,0,0,0,0|1,0,1]=4 793 B2R0.1 CCC A17702 [2,0,0,0,0,0|0,0,2]=4 794 B2R0.1 CCI A14444 [2,0,0,0,0,0|1,0,1]=4 795 B2R0.1 CCN A15022 [2,0,0,0,0,0|0,0,2]=4 796 B2R0.1 CCN H32306 [2,0,0,0,0,0|0,0,2]=4 797 B2R0.1 CCN L03624 [2,0,0,0,0,0|0,0,2]=4 798 B2R0.1 CCO 22930 [2,0,0,0,0,0|0,0,2]=4 799 B2R0.1 CCO 22931 [2,0,0,0,0,0|0,0,2]=4 800 B2R0.1 CCO 31337 [2,0,0,0,0,0|0,0,2]=4 801 B2R0.1 CCO 33361 [2,0,0,0,0,0|0,0,2]=4 802 B2R0.1 CCO 36642 [2,0,0,0,0,0|0,0,2]=4 803 B2R0.1 CCO 41603 [2,0,0,0,0,0|0,0,2]=4 804 B2R0.1 CCO 44014 [2,0,0,0,0,0|0,0,2]=4 805 B2R0.1 CCO 44134 [2,0,0,0,0,0|0,0,2]=4 806 B2R0.1 CCO 45844 [2,0,0,0,0,0|0,0,2]=4 807 B2R0.1 CCS 22585 [2,0,0,0,0,0|0,1,1]=4 808 B2R0.1 CC[Al+2] 41712 [2,0,0,0,0,0|1,0,1]=4 809 B2R0.1 CC[Hg+] 37114 [2,0,0,0,0,0|1,0,1]=4 810 B2R0.1 CC[Mg+] 41675 [2,0,0,0,0,0|1,0,1]=4 811 B2R0.1 CC[Mg+] 47279 [2,0,0,0,0,0|1,0,1]=4 812 B2R0.1 CC[Mg+] 87291 [2,0,0,0,0,0|1,0,1]=4 813 B2R0.1 CC[O-] 14263 [2,0,0,0,0,0|0,0,2]=4 814 B2R0.1 CC[O-] 14264 [2,0,0,0,0,0|0,0,2]=4 815 B2R0.1 CC[O-] 14643 [2,0,0,0,0,0|0,0,2]=4 816 B2R0.1 CC[O-] 14679 [2,0,0,0,0,0|0,0,2]=4 817 B2R0.1 CC[O-] 14689 [2,0,0,0,0,0|0,0,2]=4 818 B2R0.1 CC[O-] 18859 [2,0,0,0,0,0|0,0,2]=4 819 B2R0.1 CC[O-] 18862 [2,0,0,0,0,0|0,0,2]=4 820 B2R0.1 CC[O-] 20896 [2,0,0,0,0,0|0,0,2]=4 821 B2R0.1 CC[O-] 31498 [2,0,0,0,0,0|0,0,2]=4 822 B2R0.1 CC[O-] 35791 [2,0,0,0,0,0|0,0,2]=4 823 B2R0.1 CC[O-] 36588 [2,0,0,0,0,0|0,0,2]=4 824 B2R0.1 CC[O-] 39155 [2,0,0,0,0,0|0,0,2]=4 825 B2R0.1 CC[O-] 39161 [2,0,0,0,0,0|0,0,2]=4 826 B2R0.1 CC[O-] 39170 [2,0,0,0,0,0|0,0,2]=4 827 B2R0.1 CC[O-] 39171 [2,0,0,0,0,0|0,0,2]=4 828 B2R0.1 CC[O-] 41105 [2,0,0,0,0,0|0,0,2]=4 829 B2R0.1 CC[O-] 41336 [2,0,0,0,0,0|0,0,2]=4 830 B2R0.1 CC[O-] 41607 [2,0,0,0,0,0|0,0,2]=4 831 B2R0.1 CC[O-] 41794 [2,0,0,0,0,0|0,0,2]=4 832 B2R0.1 CC[O-] 41795 [2,0,0,0,0,0|0,0,2]=4 833 B2R0.1 CC[O-] 41863 [2,0,0,0,0,0|0,0,2]=4 834 B2R0.1 CC[O-] 42344 [2,0,0,0,0,0|0,0,2]=4 835 B2R0.1 CC[O-] 43052 [2,0,0,0,0,0|0,0,2]=4 836 B2R0.1 CC[O-] 43097 [2,0,0,0,0,0|0,0,2]=4 837 B2R0.1 CC[O-] 44670 [2,0,0,0,0,0|0,0,2]=4 838 B2R0.1 CC[O-] 44681 [2,0,0,0,0,0|0,0,2]=4 839 B2R0.1 CC[O-] 44769 [2,0,0,0,0,0|0,0,2]=4 840 B2R0.1 CC[O-] 44859 [2,0,0,0,0,0|0,0,2]=4 841 B2R0.1 CC[O-] 45590 [2,0,0,0,0,0|0,0,2]=4 842 B2R0.1 CC[O-] 45861 [2,0,0,0,0,0|0,0,2]=4 843 B2R0.1 CC[O-] 46316 [2,0,0,0,0,0|0,0,2]=4 844 B2R0.1 CC[O-] 77142 [2,0,0,0,0,0|0,0,2]=4 845 B2R0.1 CC[O-] 78131 [2,0,0,0,0,0|0,0,2]=4 846 B2R0.1 CC[O-] L06230 [2,0,0,0,0,0|0,0,2]=4 847 B2R0.1 CC[O-] L10288 [2,0,0,0,0,0|0,0,2]=4 848 B2R0.1 CC[O-] L13083 [2,0,0,0,0,0|0,0,2]=4 849 B2R0.1 CC[O-] L16031 [2,0,0,0,0,0|0,0,2]=4 850 B2R0.1 CC[O-] L16033 [2,0,0,0,0,0|0,0,2]=4 851 B2R0.1 CNC 31458 [2,0,0,0,0,0|1,0,1]=4 852 B2R0.1 CNC 43261 [2,0,0,0,0,0|1,0,1]=4 853 B2R0.1 CNC 89149 [2,0,0,0,0,0|1,0,1]=4 854 B2R0.1 CNC A12133 [2,0,0,0,0,0|1,0,1]=4 855 B2R0.1 CNC H27261 [2,0,0,0,0,0|1,0,1]=4 856 B2R0.1 CNC H27665 [2,0,0,0,0,0|1,0,1]=4 857 B2R0.1 CNO L02202 [2,0,0,0,0,0|1,0,1]=4 858 B2R0.1 CON A19188 [2,0,0,0,0,0|1,0,1]=4 859 B2R0.1 CON L08415 [2,0,0,0,0,0|1,0,1]=4 860 B2R0.1 CSC 19368 [2,0,0,0,0,0|1,0,1]=4 861 B2R0.1 CSC 22949 [2,0,0,0,0,0|1,0,1]=4 862 B2R0.1 CSC 42963 [2,0,0,0,0,0|1,0,1]=4 863 B2R0.1 CSC 42965 [2,0,0,0,0,0|1,0,1]=4 864 B2R0.1 CSC 42967 [2,0,0,0,0,0|1,0,1]=4 865 B2R0.1 CSC 43327 [2,0,0,0,0,0|1,0,1]=4 866 B2R0.1 CSC L07705 [2,0,0,0,0,0|1,0,1]=4 867 B2R0.1 C[N-]C 40443 [2,0,0,0,0,0|1,0,1]=4 868 B2R0.1 C[N-]C 42761 [2,0,0,0,0,0|1,0,1]=4 869 B2R0.1 C[N-]C 43237 [2,0,0,0,0,0|1,0,1]=4 870 B2R0.1 C[N-]C 44145 [2,0,0,0,0,0|1,0,1]=4 871 B2R0.1 C[N-]C 45491 [2,0,0,0,0,0|1,0,1]=4 872 B2R0.1 C[Se]C 68116 [2,0,0,0,0,0|1,0,1]=4 873 B2R0.1 C[Sn+2]C 71142 [2,0,0,0,0,0|1,0,1]=4 874 B2R0.1 C[Sn+2]C 71164 [2,0,0,0,0,0|1,0,1]=4 875 B2R0.1 C[Sn+2]C A17661 [2,0,0,0,0,0|1,0,1]=4 876 B2R0.1 C[Sn+2]C A18060 [2,0,0,0,0,0|1,0,1]=4 877 B2R0.1 N(=O)[O-] 11038 [2,0,0,0,0,0|2,0,0]=4 878 B2R0.1 N(=O)[O-] 11418 [2,0,0,0,0,0|2,0,0]=4 879 B2R0.1 N(=O)[O-] A11216 [2,0,0,0,0,0|2,0,0]=4 880 B2R0.1 N(=O)[O-] A18668 [2,0,0,0,0,0|2,0,0]=4 881 B2R0.1 N(=O)[O-] L13289 [2,0,0,0,0,0|2,0,0]=4 882 B2R0.1 [2H]OC 89571 [2,0,0,0,0,0|2,0,0]=4 883 B2R0.1 [CH2-]C=C 10005 [2,0,0,0,0,0|0,0,2]=4 884 B2R0.1 [O-]P=O A13385 [2,0,0,0,0,0|2,0,0]=4 885 B4R0.2 C#CCCBr H53367 [1,1,0,0,0,0|1,0,1]=4 886 B4R0.2 C#CCCO A11477 [1,1,0,0,0,0|1,0,1]=4 887 B4R0.2 C(C#N)C#N A15046 [1,1,0,0,0,0|0,0,2]=4 888 B4R0.2 C(CBr)C#N B23998 [1,1,0,0,0,0|0,0,1]=3 889 B4R0.2 C(CCl)C#N L05902 [1,1,0,0,0,0|0,0,1]=3 890 B4R0.2 C(CN)C#N A13043 [1,1,0,0,0,0|0,0,1]=3 891 B4R0.2 C(CO)C#N L12570 [1,1,0,0,0,0|0,0,1]=3 892 B4R0.2 C(C[Zn+])C#N H58695 [1,1,0,0,0,0|0,0,1]=3 893 B4R0.2 C(SC#N)Cl A12108 [1,1,0,0,0,0|1,0,0]=3 894 B4R0.2 C(\C=C\Cl)Cl L10332 [1,1,0,0,0,0|1,0,1]=4 895 B4R0.2 C=CCC#N 44775 [1,1,0,0,0,0|0,0,1]=3 896 B4R0.2 CC#CCBr L20134 [1,1,0,0,0,0|1,0,1]=4 897 B4R0.2 CC#CCO A15709 [1,1,0,0,0,0|1,0,1]=4 898 B4R0.2 CCC#CC L02973 [1,1,0,0,0,0|1,0,1]=4 899 B4R0.2 CCCC#C L02479 [1,1,0,0,0,0|1,0,1]=4 900 B4R0.2 CCCC#N L02999 [1,1,0,0,0,0|0,0,1]=3 901 B4R0.2 CCCC=O A18243 [1,1,0,0,0,0|1,0,1]=4 902 B4R0.2 CCOC#C A14245 [1,1,0,0,0,0|1,0,1]=4 903 B4R0.2 CCOC=O A11113 [1,1,0,0,0,0|1,0,1]=4 904 B4R0.2 CC\C=C\C A17736 [1,1,0,0,0,0|1,0,1]=4 905 B4R0.2 CC\C=C\C L09421 [1,1,0,0,0,0|1,0,1]=4 906 B4R0.2 CNCC#N H55215 [1,1,0,0,0,0|0,0,1]=3 907 B4R0.2 CSCC#N L03066 [1,1,0,0,0,0|0,0,1]=3 908 B4R0.2 C\C=C\C=O L03362 [1,1,0,0,0,0|1,0,1]=4 909 B4R0.2 C\C=C\CO A10681 [1,1,0,0,0,0|1,0,1]=4 910 B4R0.2 C\C=C\C[Mg+] H51171 [1,1,0,0,0,0|1,0,1]=4 911 B4R0.3 CP(=O)(C)C 30394 [1,1,0,0,0,0|1,0,1]=4 912 B4R0.3 CP(=O)(C)Cl 30292 [1,1,0,0,0,0|1,0,1]=4 913 B4R0.3 CP(=O)(Cl)Cl A14790 [1,1,0,0,0,0|2,0,0]=4 914 B4R0.3 CP(=O)(O)O A12619 [1,1,0,0,0,0|2,0,0]=4 915 B4R0.3 CS(=O)(=O)C B21747 [1,1,0,0,0,0|1,0,1]=4 916 B4R0.3 CS(=O)(=O)Cl A13383 [1,1,0,0,0,0|2,0,0]=4 917 B4R0.3 CS(=O)(=O)F H53460 [1,1,0,0,0,0|2,0,0]=4 918 B4R0.3 CS(=O)(=O)N A10885 [1,1,0,0,0,0|1,0,1]=4 919 B4R0.3 CS(=O)(=O)O A13565 [1,1,0,0,0,0|2,0,0]=4 920 B4R0.3 CS(=O)(=O)O A17803 [1,1,0,0,0,0|2,0,0]=4 921 B4R0.3 CS(=O)(=O)[O-] 18641 [1,1,0,0,0,0|2,0,0]=4 922 B4R0.3 CS(=O)(=O)[O-] 39505 [1,1,0,0,0,0|2,0,0]=4 923 B4R0.3 CS(=O)(=O)[O-] A16768 [1,1,0,0,0,0|2,0,0]=4 924 B4R0.3 CS(=O)(=O)[O-] B22439 [1,1,0,0,0,0|2,0,0]=4 925 B4R0.3 CS(=O)(=O)[O-] H59773 [1,1,0,0,0,0|2,0,0]=4 926 B4R0.3 C[As](=O)(C)O A12075 [1,1,0,0,0,0|1,0,1]=4 927 B4R0.3 C[As](=O)(C)[O-] A18139 [1,1,0,0,0,0|1,0,1]=4 928 B4R0.3 C[S+](=O)(C)C A14589 [1,1,0,0,0,0|1,0,1]=4 929 B6R0.1 C(C#N)C(=O)NN B24370 [0,2,0,0,0,0|1,0,0]=3 930 B6R0.1 C(C(=O)NCO)Cl A12247 [0,2,0,0,0,0|1,0,1]=4 931 B6R0.1 C=COC(=O)CCl L09446 [0,2,0,0,0,0|1,0,1]=4 932 B6R0.1 CCC(=O)CC#N H50789 [0,2,0,0,0,0|0,0,0]=2 933 B6R0.1 CCC(=O)OC=C L12931 [0,2,0,0,0,0|1,0,1]=4 934 B6R0.1 CCC(=O)OCC 15498 [0,2,0,0,0,0|1,0,1]=4 935 B6R0.1 CCC(=O)OCC A16650 [0,2,0,0,0,0|1,0,1]=4 936 B6R0.1 CCC(=O)SCC B24918 [0,2,0,0,0,0|1,0,1]=4 937 B6R0.1 CCC(=O)\C=C\C H27445 [0,2,0,0,0,0|1,0,1]=4 938 B6R0.1 CCCC(=O)C=C L07660 [0,2,0,0,0,0|1,0,1]=4 939 B6R0.1 CCCC(=O)CC B20791 [0,2,0,0,0,0|1,0,1]=4 940 B6R0.1 CCCC(=O)NN L01971 [0,2,0,0,0,0|1,0,1]=4 941 B6R0.1 CCCC(=O)OC L04250 [0,2,0,0,0,0|1,0,1]=4 942 B6R0.1 CCCC(=O)SC B22144 [0,2,0,0,0,0|1,0,1]=4 943 B6R0.1 CCOC(=O)C#C A15068 [0,2,0,0,0,0|1,0,0]=3 944 B6R0.1 CCOC(=O)C#N L15777 [0,2,0,0,0,0|0,0,0]=2 945 B6R0.1 CCOC(=O)C=C A15493 [0,2,0,0,0,0|1,0,1]=4 946 B6R0.1 CCOC(=O)C=O L19207 [0,2,0,0,0,0|1,0,1]=4 947 B6R0.1 CCOC(=O)CBr A10448 [0,2,0,0,0,0|1,0,1]=4 948 B6R0.1 CCOC(=O)CCl A15554 [0,2,0,0,0,0|1,0,1]=4 949 B6R0.1 CCOC(=O)CF H61340 [0,2,0,0,0,0|1,0,1]=4 950 B6R0.1 CCOC(=O)CI B24177 [0,2,0,0,0,0|1,0,1]=4 951 B6R0.1 CCOC(=O)CN A10315 [0,2,0,0,0,0|0,0,2]=4 952 B6R0.1 CCOC(=O)CO 41475 [0,2,0,0,0,0|1,0,1]=4 953 B6R0.1 CCOC(=O)CS A14321 [0,2,0,0,0,0|1,0,1]=4 954 B6R0.1 CCOC(=O)NN A13860 [0,2,0,0,0,0|1,0,1]=4 955 B6R0.1 CC\C=C(/C)\C=O A15729 [0,2,0,0,0,0|1,0,1]=4 956 B6R0.1 CNCC(=O)OC L08572 [0,2,0,0,0,0|0,0,2]=4 957 B6R0.1 COC(=O)CC#N A15555 [0,2,0,0,0,0|0,0,0]=2 958 B6R0.1 COC(=O)CCBr L14127 [0,2,0,0,0,0|1,0,1]=4 959 B6R0.1 COC(=O)CCN H27483 [0,2,0,0,0,0|0,0,2]=4 960 B6R0.1 COC(=O)CCS B20718 [0,2,0,0,0,0|1,0,1]=4 961 B6R0.1 COC(=O)C[N+]#[C-] H31069 [0,2,0,0,0,0|0,0,2]=4 962 B6R0.1 COCC(=O)NN H65573 [0,2,0,0,0,0|1,0,1]=4 963 B6R0.1 COCC(=O)OC B22528 [0,2,0,0,0,0|1,0,1]=4 964 B6R0.1 C\C=C\C(=O)OC A15363 [0,2,0,0,0,0|1,0,1]=4 965 B6R0.2 CC(=C)OC(=O)C A15618 [0,2,0,0,0,0|1,0,1]=4 966 B6R0.2 CC(=CC(=O)C)C A15111 [0,2,0,0,0,0|1,0,1]=4 967 B6R0.2 CC(=O)CC(=O)C A14117 [0,2,0,0,0,0|1,0,1]=4 968 B6R0.2 CC(=O)NC(=O)N L08343 [0,2,0,0,0,0|0,0,2]=4 969 B6R0.2 CC(=O)NC(=S)N 47008 [0,2,0,0,0,0|0,0,2]=4 970 B6R0.2 CC(=O)NC(=S)N B21198 [0,2,0,0,0,0|0,0,2]=4 971 B6R0.2 CC(=O)OC(=O)C 36292 [0,2,0,0,0,0|1,0,1]=4 972 B6R0.2 CC(=O)OC(=O)C L04295 [0,2,0,0,0,0|1,0,1]=4 973 B6R0.2 CC(=O)[CH-]C(=O)C 30529 [0,2,0,0,0,0|1,0,1]=4 974 B6R0.2 CC(C)CC(=O)C 33346 [0,2,0,0,0,0|1,0,1]=4 975 B6R0.2 CC(C)CC(=O)C 43170 [0,2,0,0,0,0|1,0,1]=4 976 B6R0.2 CC(C)CC(=O)C A11618 [0,2,0,0,0,0|1,0,1]=4 977 B6R0.2 CC(C)OC(=O)C L09337 [0,2,0,0,0,0|1,0,1]=4 978 B6R0.2 CC(CC(=O)C)[O-] 12542 [0,2,0,0,0,0|1,0,1]=4 979 B6R0.2 CC(CC(=O)C)[O-] 44538 [0,2,0,0,0,0|1,0,1]=4 980 B6R0.2 CC([O-])CC(=O)C 46727 [0,2,0,0,0,0|1,0,1]=4 981 B6R0.2 C\C(=C/C(=O)C)\[O-] H55532 [0,2,0,0,0,0|1,0,1]=4 982 B6R0.2 C\C(=C\C(=O)C)\N L08379 [0,2,0,0,0,0|0,0,2]=4 983 B6R0.2 C\C(=C\C(=O)C)\[O-] 10514 [0,2,0,0,0,0|1,0,1]=4 984 B6R0.2 C\C(=C\C(=O)C)\[O-] 10517 [0,2,0,0,0,0|1,0,1]=4 985 B6R0.2 C\C(=C\C(=O)C)\[O-] 10526 [0,2,0,0,0,0|1,0,1]=4 986 B6R0.2 C\C(=C\C(=O)C)\[O-] 10568 [0,2,0,0,0,0|1,0,1]=4 987 B6R0.2 C\C(=C\C(=O)C)\[O-] 12527 [0,2,0,0,0,0|1,0,1]=4 988 B6R0.2 C\C(=C\C(=O)C)\[O-] 12530 [0,2,0,0,0,0|1,0,1]=4 989 B6R0.2 C\C(=C\C(=O)C)\[O-] 12532 [0,2,0,0,0,0|1,0,1]=4 990 B6R0.2 C\C(=C\C(=O)C)\[O-] 12534 [0,2,0,0,0,0|1,0,1]=4 991 B6R0.2 C\C(=C\C(=O)C)\[O-] 12535 [0,2,0,0,0,0|1,0,1]=4 992 B6R0.2 C\C(=C\C(=O)C)\[O-] 12536 [0,2,0,0,0,0|1,0,1]=4 993 B6R0.2 C\C(=C\C(=O)C)\[O-] 12537 [0,2,0,0,0,0|1,0,1]=4 994 B6R0.2 C\C(=C\C(=O)C)\[O-] 12538 [0,2,0,0,0,0|1,0,1]=4 995 B6R0.2 C\C(=C\C(=O)C)\[O-] 13794 [0,2,0,0,0,0|1,0,1]=4 996 B6R0.2 C\C(=C\C(=O)C)\[O-] 14065 [0,2,0,0,0,0|1,0,1]=4 997 B6R0.2 C\C(=C\C(=O)C)\[O-] 14614 [0,2,0,0,0,0|1,0,1]=4 998 B6R0.2 C\C(=C\C(=O)C)\[O-] 18811 [0,2,0,0,0,0|1,0,1]=4 999 B6R0.2 C\C(=C\C(=O)C)\[O-] 22940 [0,2,0,0,0,0|1,0,1]=4 1000 B6R0.2 C\C(=C\C(=O)C)\[O-] 30526 [0,2,0,0,0,0|1,0,1]=4 1001 B6R0.2 C\C(=C\C(=O)C)\[O-] 30532 [0,2,0,0,0,0|1,0,1]=4 1002 B6R0.2 C\C(=C\C(=O)C)\[O-] 39288 [0,2,0,0,0,0|1,0,1]=4 1003 B6R0.2 C\C(=C\C(=O)C)\[O-] 39295 [0,2,0,0,0,0|1,0,1]=4 1004 B6R0.2 C\C(=C\C(=O)C)\[O-] 39411 [0,2,0,0,0,0|1,0,1]=4 1005 B6R0.2 C\C(=C\C(=O)C)\[O-] 39630 [0,2,0,0,0,0|1,0,1]=4 1006 B6R0.2 C\C(=C\C(=O)C)\[O-] 41968 [0,2,0,0,0,0|1,0,1]=4 1007 B6R0.2 C\C(=C\C(=O)C)\[O-] 42463 [0,2,0,0,0,0|1,0,1]=4 1008 B6R0.2 C\C(=C\C(=O)C)\[O-] 44140 [0,2,0,0,0,0|1,0,1]=4 1009 B6R0.2 C\C(=C\C(=O)C)\[O-] 78113 [0,2,0,0,0,0|1,0,1]=4 1010 B6R0.2 C\C(=C\C(=O)C)\[O-] 81119 [0,2,0,0,0,0|1,0,1]=4 1011 B6R0.2 C\C(=C\C(=O)C)\[O-] 89360 [0,2,0,0,0,0|1,0,1]=4 1012 B6R0.2 C\C(=C\C(=O)C)\[O-] 89858 [0,2,0,0,0,0|1,0,1]=4 1013 B6R0.2 C\C(=C\C(=O)C)\[O-] A14920 [0,2,0,0,0,0|1,0,1]=4 1014 B6R0.2 C\C(=C\C(=O)C)\[O-] A18762 [0,2,0,0,0,0|1,0,1]=4 1015 B6R0.2 C\C(=C\C(=O)C)\[O-] B24009 [0,2,0,0,0,0|1,0,1]=4 1016 B6R0.2 C\C(=C\C(=O)C)\[O-] B24165 [0,2,0,0,0,0|1,0,1]=4 1017 B6R0.2 C\C(=C\C(=O)C)\[O-] H55131 [0,2,0,0,0,0|1,0,1]=4 1018 B6R0.2 C\C(=C\C(=O)C)\[O-] H60380 [0,2,0,0,0,0|1,0,1]=4 1019 B6R0.3 C(C(=O)C(=O)O)Br L00720 [0,2,0,0,0,0|1,0,1]=4 1020 B6R0.3 CC(=C)C(=O)OC A13030 [0,2,0,0,0,0|1,0,1]=4 1021 B6R0.3 CC(=O)C(=O)OC A13966 [0,2,0,0,0,0|1,0,1]=4 1022 B6R0.3 CC(=O)N(C)OC H65226 [0,2,0,0,0,0|2,0,0]=4 1023 B6R0.3 CC(C(=O)OC)Br A19558 [0,2,0,0,0,0|1,0,1]=4 1024 B6R0.3 CC(C(=O)OC)Cl A18541 [0,2,0,0,0,0|1,0,1]=4 1025 B6R0.3 CC(C(=O)OC)N A12599 [0,2,0,0,0,0|0,0,2]=4 1026 B6R0.3 CC(C(=O)OC)O H60455 [0,2,0,0,0,0|1,0,1]=4 1027 B6R0.3 CC(C)C(=O)OC A14070 [0,2,0,0,0,0|1,0,1]=4 1028 B6R0.3 CC(CO)C(=O)C H28483 [0,2,0,0,0,0|1,0,1]=4 1029 B6R0.3 CCC(=O)C(=O)C A13116 [0,2,0,0,0,0|1,0,1]=4 1030 B6R0.3 CCC(=O)N(C)C H64850 [0,2,0,0,0,0|1,0,1]=4 1031 B6R0.3 CCC(C(=O)C)S B21797 [0,2,0,0,0,0|1,0,1]=4 1032 B6R0.3 CCC(C)C(=O)C A19999 [0,2,0,0,0,0|1,0,1]=4 1033 B6R0.3 CN(C)C(=O)C=C 42405 [0,2,0,0,0,0|1,0,1]=4 1034 B6R0.3 CN(C)C(=O)CCl H50229 [0,2,0,0,0,0|1,0,1]=4 1035 B6R0.3 CN(C)C(=O)CN H50293 [0,2,0,0,0,0|0,0,2]=4 1036 B6R0.3 CNC(=O)N(C)C 16475 [0,2,0,0,0,0|2,0,0]=4 1037 B6R0.3 COC(=O)C(=C)F H61343 [0,2,0,0,0,0|1,0,1]=4 1038 B6R0.3 COC(=O)C(=O)Cl L13258 [0,2,0,0,0,0|1,0,1]=4 1039 B6R0.3 COC(=O)C(Cl)Cl B24399 [0,2,0,0,0,0|1,0,1]=4 1040 B6R0.3 COC(=O)C(F)F B22197 [0,2,0,0,0,0|1,0,1]=4 1041 B6R0.3 C[C@@H](C(=O)OC)N A10178 [0,2,0,0,0,0|0,0,2]=4 1042 B6R0.3 C[C@@H](C(=O)OC)O B24468 [0,2,0,0,0,0|1,0,1]=4 1043 B6R0.3 C[C@H](C(=O)OC)N H62472 [0,2,0,0,0,0|0,0,2]=4 1044 B6R0.3 C\C(=N/O)\C(=O)C A14339 [0,2,0,0,0,0|0,0,2]=4 1045 B6R0.3 C\C=C(/C)\C(=O)C L13548 [0,2,0,0,0,0|1,0,1]=4 1046 B6R0.3 C\C=C(/C)\C(=O)O A13905 [0,2,0,0,0,0|1,0,1]=4 1047 B6R0.4 C#CCCC(=O)O L09282 [0,2,0,0,0,0|2,0,0]=4 1048 B6R0.4 C(#N)SNC(=N)N B21250 [0,2,0,0,0,0|2,0,0]=4 1049 B6R0.4 CC(=O)CCC=C B22505 [0,2,0,0,0,0|1,0,1]=4 1050 B6R0.4 CC(=O)CCCCl A10269 [0,2,0,0,0,0|1,0,1]=4 1051 B6R0.4 CC(=O)CCSC B22206 [0,2,0,0,0,0|1,0,1]=4 1052 B6R0.4 CC(=O)NCCCl A11802 [0,2,0,0,0,0|1,0,1]=4 1053 B6R0.4 CC(=O)NCCN L13398 [0,2,0,0,0,0|0,0,2]=4 1054 B6R0.4 CC(=O)NCCO A18638 [0,2,0,0,0,0|1,0,1]=4 1055 B6R0.4 CC(=O)OCC#C L10031 [0,2,0,0,0,0|1,0,0]=3 1056 B6R0.4 CC(=O)OCC=C 41353 [0,2,0,0,0,0|1,0,1]=4 1057 B6R0.4 CC(=O)OCSC H32310 [0,2,0,0,0,0|1,0,1]=4 1058 B6R0.4 CC(=O)\C=C\OC A11235 [0,2,0,0,0,0|1,0,1]=4 1059 B6R0.4 CCC#CC(=C)C B20560 [0,2,0,0,0,0|2,0,0]=4 1060 B6R0.4 CCC#CC(=O)C L05315 [0,2,0,0,0,0|1,0,0]=3 1061 B6R0.4 CCC#CC(=O)O H53411 [0,2,0,0,0,0|2,0,0]=4 1062 B6R0.4 CCCCC(=O)C A14867 [0,2,0,0,0,0|1,0,1]=4 1063 B6R0.4 CCCOC(=O)C L15355 [0,2,0,0,0,0|1,0,1]=4 1064 B6R0.4 CCCSC(=O)C B21875 [0,2,0,0,0,0|1,0,1]=4 1065 B6R0.4 CCSCC(=O)C L04142 [0,2,0,0,0,0|1,0,1]=4 1066 B6R0.5 CS(=O)(=O)CC#N L03280 [0,2,0,0,0,0|1,0,0]=3 1067 B6R0.7 CC(=O)C(C)(C)C A10289 [0,2,0,0,0,0|1,0,1]=4 1068 B6R0.7 CC(=O)C(C)(C)O 43724 [0,2,0,0,0,0|1,0,1]=4 1069 B6R0.7 CC(=O)C(F)(F)F A13556 [0,2,0,0,0,0|1,0,1]=4 1070 B6R1.2 C1C=CC(=O)O1 L13142 [0,1,0,1,0,0|1,0,1]=4 1071 B6R1.2 C1CC(=O)C=C1 B23408 [0,1,0,1,0,0|1,0,1]=4 1072 B6R1.2 C1CC(=O)NC1 A15332 [0,1,0,1,0,0|1,0,1]=4 1073 B6R1.2 C1CC(=O)NC1 L00177 [0,1,0,1,0,0|1,0,1]=4 1074 B6R1.2 C1CC(=O)OC1 A16314 [0,1,0,1,0,0|1,0,1]=4 1075 B6R1.2 C1CCC(=O)C1 A14222 [0,1,0,1,0,0|1,0,1]=4 1076 B6R1.2 C1CNC(=O)N1 A17666 [0,1,0,1,0,0|2,0,0]=4 1077 B6R1.2 C1COC(=O)N1 A14543 [0,1,0,1,0,0|2,0,0]=4 1078 B6R1.2 C1COC(=O)O1 A15735 [0,1,0,1,0,0|2,0,0]=4 1079 B6R1.2 C1COCC1=O H66940 [0,1,0,1,0,0|1,0,1]=4 1080 B6R1.2 C1CSCC1=O A11002 [0,1,0,1,0,0|1,0,1]=4 1081 B6R1.3 C1CC1CC#N L11950 [0,1,0,1,0,0|1,0,1]=4 1082 B6R1.11 CC(=O)C1CC1 A13540 [0,1,0,1,0,0|1,0,1]=4 1083 B6R1.6 C1CC(C1)C#N A10309 [0,1,0,1,0,0|1,0,1]=4 1084 B6R1.7 C1CC1(C#N)N H27288 [0,1,0,1,0,0|1,0,1]=4