0 B4R0.1 C#CC(=O)O AMY7000 [0,0,0,0,0,0|1,0,1]=2 1 B4R0.1 C#CC(N)=O AM20100705 [0,0,0,0,0,0|2,0,1]=3 2 B4R0.1 C#C[C@@H](C)O AMY24232 [0,0,0,0,0,0|2,0,2]=4 3 B4R0.1 C#C[C@H](C)O AMY34392 [0,0,0,0,0,0|2,0,2]=4 4 B4R0.1 C=C(Br)C=O AMY19362 [0,0,0,0,0,0|3,0,1]=4 5 B4R0.1 C=C(C)C=O AMY28760 [0,0,0,0,0,0|3,0,1]=4 6 B4R0.1 C=C(C)CBr AM85592 [0,0,0,0,0,0|2,1,0]=3 7 B4R0.1 C=C(C)CN AMY13356 [0,0,0,0,0,0|3,0,0]=3 8 B4R0.1 C=C(Cl)C#N AMY25815 [0,0,0,0,0,0|3,0,1]=4 9 B4R0.1 C=C(Cl)CCl AMY4111 [0,0,0,0,0,0|2,0,0]=2 10 B4R0.1 C=C=C(C)C AMY42296 [0,0,0,0,0,0|3,0,1]=4 11 B4R0.1 C=CC(=C)C AMY37001 [0,0,0,0,0,0|3,0,1]=4 12 B4R0.1 C=CC(=O)Cl AMY18873 [0,0,0,0,0,0|2,0,1]=3 13 B4R0.1 C=CC(=O)[O-] AMY3817 [0,0,0,0,0,0|1,0,2]=3 14 B4R0.1 C=C[C@H](C)O AMY1257 [0,0,0,0,0,0|2,0,2]=4 15 B4R0.1 C=C[N+](=O)[O-] AMY36706 [0,0,0,0,0,0|2,0,2]=4 16 B4R0.1 CC(=N)NO AMY18111 [0,0,0,0,0,0|4,0,0]=4 17 B4R0.1 CC(=O)C#N AMY39183 [0,0,0,0,0,0|2,0,1]=3 18 B4R0.1 CC(=O)CBr AM85840 [0,0,0,0,0,0|1,1,0]=2 19 B4R0.1 CC(=O)CN AMY15017 [0,0,0,0,0,0|2,0,0]=2 20 B4R0.1 CC(=O)CN AMY25062 [0,0,0,0,0,0|2,0,0]=2 21 B4R0.1 CC(=O)NN AM20080014 [0,0,0,0,0,0|3,0,0]=3 22 B4R0.1 CC(=O)NO AM20100343 [0,0,0,0,0,0|3,0,0]=3 23 B4R0.1 CC(C)=CBr AM85707 [0,0,0,0,0,0|2,1,1]=4 24 B4R0.1 CC(C)=NN AM9761 [0,0,0,0,0,0|4,0,0]=4 25 B4R0.1 CC(C)=NO AM90369 [0,0,0,0,0,0|4,0,0]=4 26 B4R0.1 CC(C)CBr AMY25783 [0,0,0,0,0,0|2,1,1]=4 27 B4R0.1 CCB(O)O AM80871 [0,0,0,0,0,0|2,0,1]=3 28 B4R0.1 CCC(=N)N AM803843 [0,0,0,0,0,0|3,0,0]=3 29 B4R0.1 CCC(=O)Cl AMY4112 [0,0,0,0,0,0|2,0,0]=2 30 B4R0.1 CCC(=O)O AMY4114 [0,0,0,0,0,0|1,0,0]=1 31 B4R0.1 CCC(=O)[O-] AMY22300 [0,0,0,0,0,0|1,0,1]=2 32 B4R0.1 CCC(=O)[O-] AMY37013 [0,0,0,0,0,0|1,0,1]=2 33 B4R0.1 CCC(C)[O-] AMY22246 [0,0,0,0,0,0|2,0,2]=4 34 B4R0.1 CCC(N)=S AMY39288 [0,0,0,0,0,0|2,1,0]=3 35 B4R0.1 CCN(C)C AMY13339 [0,0,0,0,0,0|4,0,0]=4 36 B4R0.1 CC[C@H](C)O AMY11001 [0,0,0,0,0,0|2,0,1]=3 37 B4R0.1 CC[S@](=O)[O-] AMY15674 [0,0,0,0,0,0|2,0,1]=3 38 B4R0.1 CN(C)CCl AMY39211 [0,0,0,0,0,0|3,0,0]=3 39 B4R0.1 CNC(=N)N AM20090228 [0,0,0,0,0,0|4,0,0]=4 40 B4R0.1 CNC(C)=O AMY4115 [0,0,0,0,0,0|3,0,0]=3 41 B4R0.1 CNC(N)=O AMY40217 [0,0,0,0,0,0|3,0,0]=3 42 B4R0.1 COC(=N)N AM85805 [0,0,0,0,0,0|4,0,0]=4 43 B4R0.1 COC(=N)N AMY8981 [0,0,0,0,0,0|4,0,0]=4 44 B4R0.1 COC(N)=O AMY4044 [0,0,0,0,0,0|3,0,0]=3 45 B4R0.1 CSC(=N)N AMY22236 [0,0,0,0,0,0|4,0,0]=4 46 B4R0.1 CSC(=N)N AMY304 [0,0,0,0,0,0|4,0,0]=4 47 B4R0.1 C[C@@H](Cl)CO AMY21413 [0,0,0,0,0,0|3,0,1]=4 48 B4R0.1 C[C@@H](N)CN AMY3648 [0,0,0,0,0,0|3,0,1]=4 49 B4R0.1 C[C@H](Cl)CO AMY21357 [0,0,0,0,0,0|3,0,1]=4 50 B4R0.1 C[C@H](N)CN AMY3672 [0,0,0,0,0,0|3,0,1]=4 51 B4R0.1 C[C@H](N)CO AM20090557 [0,0,0,0,0,0|3,0,1]=4 52 B4R0.1 C[C@H](N)CO AM20100507 [0,0,0,0,0,0|3,0,1]=4 53 B4R0.1 C[C@H](O)CN AM20090353 [0,0,0,0,0,0|2,0,1]=3 54 B4R0.1 C[C@H](O)CN AM20100779 [0,0,0,0,0,0|2,0,1]=3 55 B4R0.1 C[C@H](O)CN AM81450 [0,0,0,0,0,0|2,0,1]=3 56 B4R0.1 FC(F)CCl AMY6873 [0,0,0,0,0,0|2,0,1]=3 57 B4R0.1 FC(F)CI AMY20040 [0,0,0,0,0,0|2,1,1]=4 58 B4R0.1 F[C@@H](Br)CBr AMY6863 [0,0,0,0,0,0|2,1,1]=4 59 B4R0.1 N=C(N)NN AMY40484 [0,0,0,0,0,0|4,0,0]=4 60 B4R0.1 N=C(N)NN AMY873 [0,0,0,0,0,0|4,0,0]=4 61 B4R0.1 N=C(N)NO AMY31983 [0,0,0,0,0,0|4,0,0]=4 62 B4R0.1 NC(=O)CBr AM85872 [0,0,0,0,0,0|1,1,0]=2 63 B4R0.1 NC(=O)CCl AMY4113 [0,0,0,0,0,0|1,0,0]=1 64 B4R0.1 NC(=O)NO AMY40858 [0,0,0,0,0,0|3,0,0]=3 65 B4R0.1 NCC(=O)O AM81781 [0,0,0,0,0,0|1,0,0]=1 66 B4R0.1 NCC(=O)[O-] AMY37022 [0,0,0,0,0,0|1,0,1]=2 67 B4R0.1 NCC(F)F AMY7132 [0,0,0,0,0,0|3,0,1]=4 68 B4R0.1 NCC(N)=O AM20080473 [0,0,0,0,0,0|2,0,0]=2 69 B4R0.1 NCC(N)=O AMY20517 [0,0,0,0,0,0|2,0,0]=2 70 B4R0.1 NCC(N)=O AMY22705 [0,0,0,0,0,0|2,0,0]=2 71 B4R0.1 NNC(N)=S AM20100785 [0,0,0,0,0,0|3,1,0]=4 72 B4R0.1 O=C(Br)CBr AMY21867 [0,0,0,0,0,0|1,1,0]=2 73 B4R0.1 O=C(Cl)CBr AMY13645 [0,0,0,0,0,0|1,1,0]=2 74 B4R0.1 O=C(Cl)CCl AMY40193 [0,0,0,0,0,0|1,0,0]=1 75 B4R0.1 O=C([O-])CS AMY25320 [0,0,0,0,0,0|1,0,1]=2 76 B4R0.1 O=CC(=O)O AMY40947 [0,0,0,0,0,0|1,0,1]=2 77 B4R0.1 O=[N+]([O-])CBr AMY33516 [0,0,0,0,0,0|1,1,1]=3 78 B4R0.1 OCC(F)F AMY3957 [0,0,0,0,0,0|3,0,1]=4 79 B4R0.1 ON=C(Br)Br AMY16047 [0,0,0,0,0,0|4,0,0]=4 80 B4R0.1 [Li]CC(C)C AMY14929 [0,0,0,0,0,0|3,0,1]=4 81 B4R0.1 [Li][C@@H](C)CC AMY14890 [0,0,0,0,0,0|3,0,1]=4 82 B3R0.1 BrCCBr AMY25519 [1,0,0,0,0,0|1,1,1]=4 83 B3R0.1 C#CCBr AM85466 [1,0,0,0,0,0|1,1,1]=4 84 B3R0.1 C#CCN AM86798 [1,0,0,0,0,0|2,0,1]=4 85 B3R0.1 C#CCN AMY22227 [1,0,0,0,0,0|2,0,1]=4 86 B3R0.1 C=CCN AMY22118 [1,0,0,0,0,0|2,0,0]=3 87 B3R0.1 CCCO AMY11110 [1,0,0,0,0,0|1,0,1]=3 88 B3R0.1 CCNN AM10026 [1,0,0,0,0,0|3,0,0]=4 89 B3R0.1 CCNN AMY202003286 [1,0,0,0,0,0|3,0,0]=4 90 B3R0.1 CCON AM90373 [1,0,0,0,0,0|3,0,0]=4 91 B3R0.1 C\C=C\Br AMY19968 [1,0,0,0,0,0|1,1,1]=4 92 B3R0.1 ClCCBr AMY25520 [1,0,0,0,0,0|1,0,1]=3 93 B3R0.1 ClCCCl AMY33455 [1,0,0,0,0,0|1,0,1]=3 94 B3R0.1 ClSSCl AMY33535 [1,0,0,0,0,0|3,0,0]=4 95 B3R0.1 FCCBr AMY39418 [1,0,0,0,0,0|1,1,1]=4 96 B3R0.1 FCCI AM20100746 [1,0,0,0,0,0|1,1,1]=4 97 B3R0.1 N#CCBr AMY21970 [1,0,0,0,0,0|1,1,1]=4 98 B3R0.1 N#CCF AMY33527 [1,0,0,0,0,0|1,1,1]=4 99 B3R0.1 N#CCN AMY19488 [1,0,0,0,0,0|2,0,1]=4 100 B3R0.1 NCCBr AM20090316 [1,0,0,0,0,0|1,1,1]=4 101 B3R0.1 NCCCl AMY3602 [1,0,0,0,0,0|1,0,1]=3 102 B3R0.1 NCCF AM20100176 [1,0,0,0,0,0|1,1,1]=4 103 B3R0.1 NCCS AMY202100105 [1,0,0,0,0,0|1,1,1]=4 104 B3R0.1 NNC=O AM9981 [1,0,0,0,0,0|2,0,0]=3 105 B3R0.1 OCCBr AMY39504 [1,0,0,0,0,0|0,1,1]=3 106 B3R0.1 OCCF AMY25659 [1,0,0,0,0,0|0,1,1]=3 107 B3R0.1 OCCO AMY22336 [1,0,0,0,0,0|1,0,1]=3 108 B3R0.2 C=C(C)Br AMY955 [1,0,0,0,0,0|2,0,0]=3 109 B3R0.2 C=C(C)[Mg+] AMY1042 [1,0,0,0,0,0|2,0,0]=3 110 B3R0.2 C=C(F)Cl AMY6847 [1,0,0,0,0,0|2,0,0]=3 111 B3R0.2 CC(=O)Br AMY21856 [1,0,0,0,0,0|1,0,0]=2 112 B3R0.2 CC(=O)O AMY21906 [1,0,0,0,0,0|0,0,0]=1 113 B3R0.2 CC(=O)O AMY41276 [1,0,0,0,0,0|0,0,0]=1 114 B3R0.2 CC(=O)[O-] AMY11747 [1,0,0,0,0,0|0,0,1]=2 115 B3R0.2 CC(=O)[O-] AMY1789 [1,0,0,0,0,0|0,0,1]=2 116 B3R0.2 CC(=O)[O-] AMY22485 [1,0,0,0,0,0|0,0,1]=2 117 B3R0.2 CC(=O)[O-] AMY22494 [1,0,0,0,0,0|0,0,1]=2 118 B3R0.2 CC(=O)[O-] AMY23396 [1,0,0,0,0,0|0,0,1]=2 119 B3R0.2 CC(=O)[O-] AMY23411 [1,0,0,0,0,0|0,0,1]=2 120 B3R0.2 CC(=O)[O-] AMY37172 [1,0,0,0,0,0|0,0,1]=2 121 B3R0.2 CC(=O)[O-] AMY9236 [1,0,0,0,0,0|0,0,1]=2 122 B3R0.2 CC(C)Br AMY37129 [1,0,0,0,0,0|2,0,1]=4 123 B3R0.2 CC(C)O AMY11029 [1,0,0,0,0,0|1,0,1]=3 124 B3R0.2 CC(C)[Mg+] AMY40195 [1,0,0,0,0,0|2,0,1]=4 125 B3R0.2 CC(C)[O-] AMY38606 [1,0,0,0,0,0|1,0,2]=4 126 B3R0.2 CC(C)[O-] AMY40472 [1,0,0,0,0,0|1,0,2]=4 127 B3R0.2 CP(C)C AMY19776 [1,0,0,0,0,0|3,0,0]=4 128 B3R0.2 CS(C)=O AMY14894 [1,0,0,0,0,0|2,0,0]=3 129 B3R0.2 C[PH](C)=O AM90266 [1,0,0,0,0,0|2,0,0]=3 130 B3R0.2 C[S+](C)C AMY12539 [1,0,0,0,0,0|3,0,0]=4 131 B3R0.2 C[S+](C)C AMY9344 [1,0,0,0,0,0|3,0,0]=4 132 B3R0.2 C[SiH](C)C AMY21899 [1,0,0,0,0,0|2,1,0]=4 133 B3R0.2 N=C(N)N AMY21875 [1,0,0,0,0,0|3,0,0]=4 134 B3R0.2 NC(=S)S AMY40763 [1,0,0,0,0,0|1,2,0]=4 135 B3R0.2 NC(N)=O AMY37159 [1,0,0,0,0,0|2,0,0]=3 136 B3R0.2 NC(N)=S AMY40190 [1,0,0,0,0,0|2,1,0]=4 137 B3R0.2 N[13C](N)=O AMY37002 [1,0,0,0,0,0|2,0,0]=3 138 B3R0.2 O=C([O-])O AMY40219 [1,0,0,0,0,0|1,0,0]=2 139 B3R0.2 O=C([O-])[O-] AMY31070 [1,0,0,0,0,0|1,0,1]=3 140 B3R0.2 O=[N+]([O-])[O-] AMY22245 [1,0,0,0,0,0|2,0,1]=4 141 B3R0.2 O=[N+]([O-])[O-] AMY22270 [1,0,0,0,0,0|2,0,1]=4 142 B3R0.2 O=[N+]([O-])[O-] AMY22502 [1,0,0,0,0,0|2,0,1]=4 143 B3R0.2 O=[Si]([O-])[O-] AMY37025 [1,0,0,0,0,0|1,1,1]=4 144 B3R0.2 OB(O)O AMY1007 [1,0,0,0,0,0|2,0,1]=4 145 B5R0.1 C#CCC(=O)O AMY19285 [0,1,0,0,0,0|1,0,0]=2 146 B5R0.1 C=C(C)CCBr AMY7022 [0,1,0,0,0,0|2,1,0]=4 147 B5R0.1 C=CCC(C)=O AMY31929 [0,1,0,0,0,0|2,0,0]=3 148 B5R0.1 C=CC[C@H](C)O AM804193 [0,1,0,0,0,0|2,0,1]=4 149 B5R0.1 CC#CC(=O)Cl AMY41204 [0,1,0,0,0,0|2,0,1]=4 150 B5R0.1 CC#CC(=O)O AM90222 [0,1,0,0,0,0|1,0,1]=3 151 B5R0.1 CC(=O)CC#N AM86800 [0,1,0,0,0,0|2,0,0]=3 152 B5R0.1 CC(=O)CC#N AMY7035 [0,1,0,0,0,0|2,0,0]=3 153 B5R0.1 CC(=O)CCO AMY31061 [0,1,0,0,0,0|2,0,0]=3 154 B5R0.1 CC(=O)OCCl AMY28690 [0,1,0,0,0,0|1,0,0]=2 155 B5R0.1 CC(=O)\C=N\O AM806560 [0,1,0,0,0,0|2,0,1]=4 156 B5R0.1 CC(C)=CCBr AMY21882 [0,1,0,0,0,0|2,1,0]=4 157 B5R0.1 CC(C)OCCl AMY23885 [0,1,0,0,0,0|2,0,1]=4 158 B5R0.1 CCCB(O)O AMY987 [0,1,0,0,0,0|2,0,1]=4 159 B5R0.1 CCCC(=N)N AM802888 [0,1,0,0,0,0|3,0,0]=4 160 B5R0.1 CCCC(=N)N AMY2389 [0,1,0,0,0,0|3,0,0]=4 161 B5R0.1 CCCC(C)=O AMY25524 [0,1,0,0,0,0|2,0,0]=3 162 B5R0.1 CCNC(=N)N AMY1900 [0,1,0,0,0,0|3,0,0]=4 163 B5R0.1 CCNC(N)=S AMY18739 [0,1,0,0,0,0|2,1,0]=4 164 B5R0.1 CCOC(=S)[S-] AM20080300 [0,1,0,0,0,0|1,2,0]=4 165 B5R0.1 CCOC(C)=N AM90190 [0,1,0,0,0,0|3,0,0]=4 166 B5R0.1 CCOC(N)=O AM20100253 [0,1,0,0,0,0|2,0,0]=3 167 B5R0.1 CCO[PH](=O)[O-] AMY22458 [0,1,0,0,0,0|2,0,1]=4 168 B5R0.1 CCSC(C)=S AM90236 [0,1,0,0,0,0|2,1,0]=4 169 B5R0.1 CN(C)CCCl AM20080022 [0,1,0,0,0,0|3,0,0]=4 170 B5R0.1 CN(C)CCCl AM20100171 [0,1,0,0,0,0|3,0,0]=4 171 B5R0.1 CNCC(=O)O AM20080021 [0,1,0,0,0,0|1,0,0]=2 172 B5R0.1 CNCC(C)=O AM806508 [0,1,0,0,0,0|2,0,0]=3 173 B5R0.1 CNCC(N)=O AM82642 [0,1,0,0,0,0|2,0,0]=3 174 B5R0.1 COCC(=N)N AM20120573 [0,1,0,0,0,0|3,0,0]=4 175 B5R0.1 COCC(=O)Cl AMY40728 [0,1,0,0,0,0|2,0,0]=3 176 B5R0.1 COCC(=O)O AMY4059 [0,1,0,0,0,0|1,0,0]=2 177 B5R0.1 COC[C@H](C)O AM20100219 [0,1,0,0,0,0|2,0,1]=4 178 B5R0.1 CSCC(N)=O AMY10906 [0,1,0,0,0,0|2,0,0]=3 179 B5R0.1 C[C@@H](O)CCO AMY25740 [0,1,0,0,0,0|2,0,1]=4 180 B5R0.1 C[C@H](O)CNN AM803409 [0,1,0,0,0,0|2,0,1]=4 181 B5R0.1 C\C(Br)=C/CO AMY11209 [0,1,0,0,0,0|3,0,0]=4 182 B5R0.1 C\C=C\C(=O)O AMY11255 [0,1,0,0,0,0|1,0,1]=3 183 B5R0.1 C\C=C\C(C)=O AMY31928 [0,1,0,0,0,0|2,0,1]=4 184 B5R0.1 N#CCC(N)=O AM20080019 [0,1,0,0,0,0|2,0,0]=3 185 B5R0.1 N#CNC(N)=O AMY397 [0,1,0,0,0,0|2,0,1]=4 186 B5R0.1 NCCC(=O)O AM20080020 [0,1,0,0,0,0|1,0,0]=2 187 B5R0.1 NCCC(=O)O AMY22128 [0,1,0,0,0,0|1,0,0]=2 188 B5R0.1 NCCC(N)=O AM20100576 [0,1,0,0,0,0|2,0,0]=3 189 B5R0.1 NCCC(N)=O AMY6958 [0,1,0,0,0,0|2,0,0]=3 190 B5R0.1 NNCC(=O)O AMY202100023 [0,1,0,0,0,0|1,0,0]=2 191 B5R0.1 NOCC(=O)O AMY19484 [0,1,0,0,0,0|1,0,0]=2 192 B5R0.1 O=C(Cl)CCBr AM90184 [0,1,0,0,0,0|1,1,0]=3 193 B5R0.1 O=C(O)CCBr AM20100434 [0,1,0,0,0,0|0,1,0]=2 194 B5R0.1 O=C(O)CCF AM803932 [0,1,0,0,0,0|0,1,0]=2 195 B5R0.1 O=C(O)CCO AM85796 [0,1,0,0,0,0|1,0,0]=2 196 B5R0.1 O=C(O)CCS AMY27767 [0,1,0,0,0,0|1,0,0]=2 197 B5R0.1 O=C(O)\C=C/I AMY22685 [0,1,0,0,0,0|0,1,1]=3 198 B5R0.1 O=C(O)\C=C\I AM806037 [0,1,0,0,0,0|0,1,1]=3 199 B5R0.3 C#CC(=O)OC AMY7053 [0,1,0,0,0,0|1,0,1]=3 200 B5R0.3 C=C(CCl)CCl AM80980 [0,1,0,0,0,0|2,0,0]=3 201 B5R0.3 C=C(CO)CO AM20090550 [0,1,0,0,0,0|2,0,0]=3 202 B5R0.3 C=CC(=O)CBr AMY31126 [0,1,0,0,0,0|1,1,0]=3 203 B5R0.3 C=C[C@@H](O)CC AMY851 [0,1,0,0,0,0|2,0,1]=4 204 B5R0.3 CCC(=O)CC AMY11060 [0,1,0,0,0,0|2,0,0]=3 205 B5R0.3 CCC(=O)OC AMY21940 [0,1,0,0,0,0|1,0,0]=2 206 B5R0.3 CCN(O)CC AMY25658 [0,1,0,0,0,0|3,0,0]=4 207 B5R0.3 CC[C@@H](N)CO AM85835 [0,1,0,0,0,0|2,0,1]=4 208 B5R0.3 CC[C@@H](O)CN AMY6653 [0,1,0,0,0,0|2,0,1]=4 209 B5R0.3 CC[C@@H](O)CO AMY40578 [0,1,0,0,0,0|1,0,2]=4 210 B5R0.3 CC[C@H](N)CO AM85834 [0,1,0,0,0,0|2,0,1]=4 211 B5R0.3 CC[C@H](N)CO AM85988 [0,1,0,0,0,0|2,0,1]=4 212 B5R0.3 CC[C@H](O)CO AMY40584 [0,1,0,0,0,0|1,0,2]=4 213 B5R0.3 CC\C(C)=N\O AM90385 [0,1,0,0,0,0|2,0,0]=3 214 B5R0.3 CNC(=O)NN AMY42564 [0,1,0,0,0,0|3,0,0]=4 215 B5R0.3 COC(=O)C=O AMY1633 [0,1,0,0,0,0|1,0,1]=3 216 B5R0.3 COC(=O)CF AM20100155 [0,1,0,0,0,0|0,1,0]=2 217 B5R0.3 COC(=O)CN AM81785 [0,1,0,0,0,0|1,0,0]=2 218 B5R0.3 COC(=O)OC AMY37165 [0,1,0,0,0,0|2,0,0]=3 219 B5R0.3 COS(=O)OC AMY18046 [0,1,0,0,0,0|3,0,0]=4 220 B5R0.3 CO[C@@H](C)CN AMY21775 [0,1,0,0,0,0|2,0,1]=4 221 B5R0.3 C[C@@H](CO)CBr AMY14347 [0,1,0,0,0,0|1,1,1]=4 222 B5R0.3 ClCC(Cl)CCl AMY22833 [0,1,0,0,0,0|2,0,1]=4 223 B5R0.3 NC(CO)CO AM20100310 [0,1,0,0,0,0|2,0,1]=4 224 B5R0.3 NCC(O)CN AM20100500 [0,1,0,0,0,0|2,0,1]=4 225 B5R0.3 NC[C@H](F)CO AMY34391 [0,1,0,0,0,0|2,0,1]=4 226 B5R0.3 NC[C@H](O)CCl AMY31075 [0,1,0,0,0,0|1,0,1]=3 227 B5R0.3 NC[C@H](O)CO AM20100501 [0,1,0,0,0,0|1,0,2]=4 228 B5R0.3 NC[C@H](O)CO AM20100602 [0,1,0,0,0,0|1,0,2]=4 229 B5R0.3 NC[C@H](O)CO AMY18546 [0,1,0,0,0,0|1,0,2]=4 230 B5R0.3 NNC(=O)CCl AMY39922 [0,1,0,0,0,0|1,0,0]=2 231 B5R0.3 NNC(=O)CO AM803763 [0,1,0,0,0,0|2,0,0]=3 232 B5R0.3 NNC(=O)NN AMY40845 [0,1,0,0,0,0|3,0,0]=4 233 B5R0.3 O=C(CBr)CBr AM85919 [0,1,0,0,0,0|1,1,0]=3 234 B5R0.3 O=C(CO)CBr AMY19754 [0,1,0,0,0,0|0,1,0]=2 235 B5R0.3 OC[C@H](Br)CBr AMY25826 [0,1,0,0,0,0|1,1,1]=4 236 B5R0.3 OC[C@H](O)CCl AM81448 [0,1,0,0,0,0|0,0,2]=3 237 B5R0.3 OC[C@H](O)CCl AM81449 [0,1,0,0,0,0|0,0,2]=3 238 B5R0.3 OC[C@H](O)CCl AMY21866 [0,1,0,0,0,0|0,0,2]=3 239 B5R0.4 CC(C)(C)CCl AMY1168 [0,1,0,0,0,0|2,0,1]=4 240 B5R0.4 CC(C)(O)CCl AMY10400 [0,1,0,0,0,0|1,0,1]=3 241 B5R0.4 CC(C)(O)CN AM20090364 [0,1,0,0,0,0|2,0,1]=4 242 B5R0.4 CC(F)(F)CCl AMY6016 [0,1,0,0,0,0|2,0,1]=4 243 B5R0.4 CCC(C)(C)O AMY11089 [0,1,0,0,0,0|2,0,1]=4 244 B5R0.4 CCS(N)(=O)=O AMY33485 [0,1,0,0,0,0|2,0,1]=4 245 B5R0.4 CP(C)(=O)CCl AM10868 [0,1,0,0,0,0|2,0,0]=3 246 B5R0.4 CP(C)(=O)CO AM10876 [0,1,0,0,0,0|3,0,0]=4 247 B5R0.4 C[Si](C)(C)CCl AMY39317 [0,1,0,0,0,0|2,1,0]=4 248 B5R0.4 NCS(=O)(=O)O AMY8974 [0,1,0,0,0,0|2,0,0]=3 249 B5R0.4 NOS(=O)(=O)O AMY13359 [0,1,0,0,0,0|3,0,0]=4 250 B5R0.5 C=C(C)C(=O)Cl AMY25816 [0,1,0,0,0,0|2,0,1]=4 251 B5R0.5 C=C(C)C(N)=O AMY13351 [0,1,0,0,0,0|2,0,1]=4 252 B5R0.5 C=C(F)C(=O)O AM84938 [0,1,0,0,0,0|0,1,1]=3 253 B5R0.5 CC(=O)C(=O)O AMY6082 [0,1,0,0,0,0|1,0,1]=3 254 B5R0.5 CC(=O)C(=O)[O-] AMY25534 [0,1,0,0,0,0|1,0,2]=4 255 B5R0.5 CC(=O)C(=O)[O-] AMY25673 [0,1,0,0,0,0|1,0,2]=4 256 B5R0.5 CC(=O)C(=O)[O-] AMY25702 [0,1,0,0,0,0|1,0,2]=4 257 B5R0.5 CC(=O)C(C)C AMY11021 [0,1,0,0,0,0|2,0,0]=3 258 B5R0.5 CC(=O)C(F)F AMY6800 [0,1,0,0,0,0|1,1,0]=3 259 B5R0.5 CC(=O)C(O)O AMY25827 [0,1,0,0,0,0|2,0,0]=3 260 B5R0.5 CC(=O)[C@H](C)F AMY5968 [0,1,0,0,0,0|1,1,0]=3 261 B5R0.5 CC(C)B(O)O AM1192 [0,1,0,0,0,0|2,0,1]=4 262 B5R0.5 CC(C)[N+](=O)[O-] AMY25784 [0,1,0,0,0,0|2,0,1]=4 263 B5R0.5 CC(O)C(=O)[O-] AMY37027 [0,1,0,0,0,0|1,0,1]=3 264 B5R0.5 C[C@H](Br)C(=O)O AM81431 [0,1,0,0,0,0|0,1,0]=2 265 B5R0.5 C[C@H](Br)C(=O)O AM81432 [0,1,0,0,0,0|0,1,0]=2 266 B5R0.5 C[C@H](Br)C(=O)O AMY21881 [0,1,0,0,0,0|0,1,0]=2 267 B5R0.5 C[C@H](Br)C(N)=O AMY7273 [0,1,0,0,0,0|1,1,0]=3 268 B5R0.5 C[C@H](Cl)C(=O)Cl AMY40167 [0,1,0,0,0,0|1,0,0]=2 269 B5R0.5 C[C@H](Cl)C(=O)O AM81429 [0,1,0,0,0,0|0,0,0]=1 270 B5R0.5 C[C@H](Cl)C(=O)O AM81430 [0,1,0,0,0,0|0,0,0]=1 271 B5R0.5 C[C@H](Cl)C(=O)O AMY4045 [0,1,0,0,0,0|0,0,0]=1 272 B5R0.5 C[C@H](F)C(=O)O AMY5967 [0,1,0,0,0,0|0,1,0]=2 273 B5R0.5 C[C@H](N)C(=O)O AM20090411 [0,1,0,0,0,0|1,0,0]=2 274 B5R0.5 C[C@H](N)C(=O)O AM20090517 [0,1,0,0,0,0|1,0,0]=2 275 B5R0.5 C[C@H](N)C(=O)O AM20100374 [0,1,0,0,0,0|1,0,0]=2 276 B5R0.5 C[C@H](N)C(N)=O AM20090503 [0,1,0,0,0,0|2,0,0]=3 277 B5R0.5 C[C@H](N)C(N)=O AM81484 [0,1,0,0,0,0|2,0,0]=3 278 B5R0.5 C[C@H](O)C(=N)N AM806558 [0,1,0,0,0,0|3,0,0]=4 279 B5R0.5 C[C@H](O)C(=O)O AM87208 [0,1,0,0,0,0|1,0,0]=2 280 B5R0.5 C[C@H](O)C(=O)[O-] AMY22237 [0,1,0,0,0,0|1,0,1]=3 281 B5R0.5 FC(F)=C(Cl)Cl AMY6864 [0,1,0,0,0,0|2,0,1]=4 282 B5R0.5 NC(=O)C(N)=O AMY23583 [0,1,0,0,0,0|2,0,1]=4 283 B5R0.5 O=C(O)C(=O)O AMY514 [0,1,0,0,0,0|1,0,1]=3 284 B5R0.5 O=C(O)C(=O)O AMY6125 [0,1,0,0,0,0|1,0,1]=3 285 B5R0.5 O=C(O)C(F)F AM20100014 [0,1,0,0,0,0|0,1,0]=2 286 B5R0.5 O=C([O-])C(Cl)Cl AMY37987 [0,1,0,0,0,0|0,0,1]=2 287 B5R0.5 O=C([O-])C(Cl)Cl AMY37994 [0,1,0,0,0,0|0,0,1]=2 288 B5R0.5 O=C([O-])[C@@H](F)Cl AMY7116 [0,1,0,0,0,0|0,0,1]=2 289 B5R0.5 O=[S@]([O-])C(F)F AMY7114 [0,1,0,0,0,0|1,1,1]=4 290 B5R1.2 N[C@@H]1CCO1 AMY1804 [0,0,0,1,0,0|2,0,1]=4 291 B5R1.2 O=C1CCC1 AM20070575 [0,0,0,1,0,0|2,0,0]=3 292 B5R1.2 O=C1CCN1 AMY18291 [0,0,0,1,0,0|2,0,0]=3 293 B5R1.2 O=C1CCO1 AM20020040 [0,0,0,1,0,0|1,0,0]=2 294 B5R1.2 O=C1CNC1 AM20090048 [0,0,0,1,0,0|2,0,0]=3 295 B5R1.2 O=C1CNC1 AM20100329 [0,0,0,1,0,0|2,0,0]=3 296 B5R1.2 O=C1COC1 AM20020042 [0,0,0,1,0,0|2,0,0]=3 297 B5R1.2 O=C1CSC1 AM20090216 [0,0,0,1,0,0|2,0,0]=3 298 B5R1.2 OC1CCC1 AM803645 [0,0,0,1,0,0|2,0,1]=4 299 B5R1.2 OC1CNC1 AM20100158 [0,0,0,1,0,0|2,0,1]=4 300 B5R1.2 OC1COC1 AM20020046 [0,0,0,1,0,0|2,0,1]=4 301 B5R1.2 OC1CSC1 AMY35636 [0,0,0,1,0,0|2,0,1]=4 302 B5R1.3 BrC[C@H]1CO1 AMY31919 [0,0,0,1,0,0|1,1,1]=4 303 B5R1.3 ClCC1CC1 AM20100440 [0,0,0,1,0,0|2,0,1]=4 304 B5R1.3 ClC[C@H]1CO1 AM20090809 [0,0,0,1,0,0|1,0,1]=3 305 B5R1.3 ClC[C@H]1CO1 AM20090812 [0,0,0,1,0,0|1,0,1]=3 306 B5R1.3 ClC[C@H]1CO1 AMY40813 [0,0,0,1,0,0|1,0,1]=3 307 B5R1.3 IC[C@H]1CO1 AMY5696 [0,0,0,1,0,0|1,1,1]=4 308 B5R1.3 OC[C@H]1CO1 AM20100365 [0,0,0,1,0,0|2,0,1]=4 309 B5R1.3 OC[C@H]1CO1 AM20100474 [0,0,0,1,0,0|2,0,1]=4 310 B5R1.3 OC[C@H]1CO1 AM81447 [0,0,0,1,0,0|2,0,1]=4 311 B5R1.5 CC1(O)CC1 AMY38664 [0,0,0,1,0,0|2,0,1]=4 312 B2R0.1 BrCBr AMY11088 [2,0,0,0,0,0|1,1,0]=4 313 B2R0.1 C=C[CH2-] AMY41856 [2,0,0,0,0,0|1,0,1]=4 314 B2R0.1 C=C[Mg+] AMY14834 [2,0,0,0,0,0|1,0,1]=4 315 B2R0.1 C=C[Mg+] AMY19835 [2,0,0,0,0,0|1,0,1]=4 316 B2R0.1 CCC AMY22280 [2,0,0,0,0,0|1,0,1]=4 317 B2R0.1 CCI AMY39500 [2,0,0,0,0,0|0,1,1]=4 318 B2R0.1 CC[O-] AMY14850 [2,0,0,0,0,0|0,0,2]=4 319 B2R0.1 CNC AM90364 [2,0,0,0,0,0|2,0,0]=4 320 B2R0.1 CNC AMY14900 [2,0,0,0,0,0|2,0,0]=4 321 B2R0.1 CNO AMY23438 [2,0,0,0,0,0|1,0,0]=3 322 B2R0.1 CON AM90382 [2,0,0,0,0,0|2,0,0]=4 323 B2R0.1 CSC AMY11755 [2,0,0,0,0,0|2,0,0]=4 324 B2R0.1 CSC AMY14803 [2,0,0,0,0,0|2,0,0]=4 325 B2R0.1 ClCBr AMY11119 [2,0,0,0,0,0|1,0,0]=3 326 B2R0.1 ClCI AMY2690 [2,0,0,0,0,0|1,0,0]=3 327 B2R0.1 Cl[Pd]Cl AMY39310 [2,0,0,0,0,0|2,0,0]=4 328 B2R0.1 FCBr AMY6811 [2,0,0,0,0,0|1,1,0]=4 329 B2R0.1 FCF AMY37122 [2,0,0,0,0,0|1,1,0]=4 330 B2R0.1 ICI AMY25773 [2,0,0,0,0,0|1,1,0]=4 331 B2R0.1 N=CN AMY2665 [2,0,0,0,0,0|2,0,0]=4 332 B2R0.1 NC=O AMY3583 [2,0,0,0,0,0|1,0,0]=3 333 B2R0.1 NC=S AMY33487 [2,0,0,0,0,0|1,1,0]=4 334 B2R0.1 O=CO AMY11055 [2,0,0,0,0,0|0,0,0]=2 335 B2R0.1 O=P[O-] AMY21929 [2,0,0,0,0,0|1,0,1]=4 336 B2R0.1 O=[AlH3][O-] AMY534 [2,0,0,0,0,0|1,0,1]=4 337 B2R0.1 O=[Se]=O AMY10040 [2,0,0,0,0,0|1,0,1]=4 338 B2R0.1 O=[Si]=O AMY37125 [2,0,0,0,0,0|0,1,1]=4 339 B4R0.2 C=CCCCl AMY11185 [1,1,0,0,0,0|1,0,0]=3 340 B4R0.2 C=CCCO AMY14291 [1,1,0,0,0,0|1,0,1]=4 341 B4R0.2 C=CCNC AMY13350 [1,1,0,0,0,0|2,0,0]=4 342 B4R0.2 C=CCNN AM806419 [1,1,0,0,0,0|2,0,0]=4 343 B4R0.2 C=CCOC AM20100534 [1,1,0,0,0,0|2,0,0]=4 344 B4R0.2 C=CCON AM90375 [1,1,0,0,0,0|2,0,0]=4 345 B4R0.2 CC\C=C\Br AMY796 [1,1,0,0,0,0|2,0,0]=4 346 B4R0.2 CNCCCl AM803928 [1,1,0,0,0,0|1,0,1]=4 347 B4R0.2 CNCCO AMY32697 [1,1,0,0,0,0|1,0,1]=4 348 B4R0.2 COCCCl AMY25739 [1,1,0,0,0,0|0,0,1]=3 349 B4R0.2 COCCN AM808206 [1,1,0,0,0,0|1,0,1]=4 350 B4R0.2 CSCCCl AMY15533 [1,1,0,0,0,0|0,1,1]=4 351 B4R0.2 CSCCO AMY19250 [1,1,0,0,0,0|1,0,1]=4 352 B4R0.2 C\C=C\CCl AMY618 [1,1,0,0,0,0|1,0,0]=3 353 B4R0.2 C\C=C\CO AMY21936 [1,1,0,0,0,0|1,0,1]=4 354 B4R0.2 ClCCCBr AMY40180 [1,1,0,0,0,0|1,0,1]=4 355 B4R0.2 ClCCCCl AMY22013 [1,1,0,0,0,0|1,0,1]=4 356 B4R0.2 ClCCCI AMY25762 [1,1,0,0,0,0|1,0,1]=4 357 B4R0.2 N#CCCCl AMY21819 [1,1,0,0,0,0|1,0,1]=4 358 B4R0.2 NCCON AMY10143 [1,1,0,0,0,0|1,0,1]=4 359 B4R0.2 NNCCO AM20080045 [1,1,0,0,0,0|1,0,1]=4 360 B4R0.2 OCCCBr AM20100533 [1,1,0,0,0,0|0,1,1]=4 361 B4R0.2 OCCCCl AMY9478 [1,1,0,0,0,0|0,0,1]=3 362 B4R0.2 OCCCF AM1014 [1,1,0,0,0,0|0,1,1]=4 363 B4R0.3 CC(C)(C)O AMY11058 [1,1,0,0,0,0|1,0,1]=4 364 B4R0.3 CP(=O)(Cl)Cl AMY21900 [1,1,0,0,0,0|2,0,0]=4 365 B4R0.3 CP(=O)(O)O AM20120404 [1,1,0,0,0,0|1,0,0]=3 366 B4R0.3 CS(=O)(=O)O AMY32450 [1,1,0,0,0,0|1,0,0]=3 367 B4R0.3 CS(=O)(=O)[O-] AMY11772 [1,1,0,0,0,0|1,0,1]=4 368 B4R0.3 CS(C)(=N)=O AMY3326 [1,1,0,0,0,0|2,0,0]=4 369 B4R0.3 CS(C)(=O)=O AMY25756 [1,1,0,0,0,0|1,0,1]=4 370 B4R0.3 C[S+](C)(C)=O AMY22243 [1,1,0,0,0,0|2,0,0]=4 371 B4R0.3 C[S+](C)(C)=O AMY24038 [1,1,0,0,0,0|2,0,0]=4 372 B4R0.3 NS(=O)(=O)Cl AMY9077 [1,1,0,0,0,0|1,0,1]=4 373 B4R0.3 O=P(O)(O)O AMY21801 [1,1,0,0,0,0|2,0,0]=4 374 B4R0.3 O=P(O)(O)O AMY21809 [1,1,0,0,0,0|2,0,0]=4 375 B4R0.3 O=S(=O)(Cl)Cl AMY27828 [1,1,0,0,0,0|1,0,1]=4 376 B4R0.3 O=S(=O)(O)O AMY39406 [1,1,0,0,0,0|2,0,0]=4 377 B4R0.3 O=S(=O)(O)O AMY8941 [1,1,0,0,0,0|2,0,0]=4 378 B4R0.3 O=[Cr](=O)(O)O AMY22327 [1,1,0,0,0,0|2,0,0]=4 379 B6R0.1 C#CC(=O)OCC AM20100525 [0,2,0,0,0,0|1,0,1]=4 380 B6R0.1 C=CC(=O)NCC AMY36703 [0,2,0,0,0,0|2,0,0]=4 381 B6R0.1 C=CC(=O)OCC AMY40211 [0,2,0,0,0,0|1,0,1]=4 382 B6R0.1 CC#CC(=O)OC AMY1234 [0,2,0,0,0,0|1,0,1]=4 383 B6R0.1 CCC(=O)CC#N AMY10591 [0,2,0,0,0,0|2,0,0]=4 384 B6R0.1 CCNC(=O)CCl AM802871 [0,2,0,0,0,0|1,0,0]=3 385 B6R0.1 CCNC(=O)NC AM85700 [0,2,0,0,0,0|2,0,0]=4 386 B6R0.1 CCOC(=N)CCl AMY15738 [0,2,0,0,0,0|1,0,0]=3 387 B6R0.1 CCOC(=O)CBr AM20070701 [0,2,0,0,0,0|0,1,0]=3 388 B6R0.1 CCOC(=O)CC AMY21941 [0,2,0,0,0,0|1,0,0]=3 389 B6R0.1 CCOC(=O)CN AM81786 [0,2,0,0,0,0|1,0,0]=3 390 B6R0.1 CCOC(=O)NC AMY3767 [0,2,0,0,0,0|2,0,0]=4 391 B6R0.1 CCOC(=O)NN AMY23328 [0,2,0,0,0,0|2,0,0]=4 392 B6R0.1 CC\C=C(/C)C=O AMY2564 [0,2,0,0,0,0|2,0,0]=4 393 B6R0.1 CNC(=O)CC#N AM20100565 [0,2,0,0,0,0|2,0,0]=4 394 B6R0.1 CNCC(=O)OC AM82645 [0,2,0,0,0,0|1,0,0]=3 395 B6R0.1 COC(=O)CCBr AMY21872 [0,2,0,0,0,0|0,1,0]=3 396 B6R0.1 COC(=O)CCN AM20090461 [0,2,0,0,0,0|1,0,0]=3 397 B6R0.1 COC(=O)CCO AM85845 [0,2,0,0,0,0|1,0,0]=3 398 B6R0.1 COC(=O)CSC AMY10908 [0,2,0,0,0,0|1,0,0]=3 399 B6R0.1 COC(=O)OCCl AMY37648 [0,2,0,0,0,0|0,0,0]=2 400 B6R0.1 COC(=O)\C=C\I AMY21721 [0,2,0,0,0,0|0,1,1]=4 401 B6R0.1 COCC(=O)NN AMY3068 [0,2,0,0,0,0|2,0,0]=4 402 B6R0.1 COCC(=O)OC AMY4063 [0,2,0,0,0,0|1,0,0]=3 403 B6R0.1 C\C=C\C(=O)OC AMY15442 [0,2,0,0,0,0|1,0,1]=4 404 B6R0.1 N#CCC(=O)NN AMY5330 [0,2,0,0,0,0|2,0,0]=4 405 B6R0.1 N#CC[C@H](O)CCl AM81472 [0,2,0,0,0,0|1,0,1]=4 406 B6R0.1 N#CC[C@H](O)CCl AM81473 [0,2,0,0,0,0|1,0,1]=4 407 B6R0.1 O=C(CCl)CCCl AM9592 [0,2,0,0,0,0|1,0,0]=3 408 B6R0.2 CC(=O)CC(C)C AMY11098 [0,2,0,0,0,0|2,0,0]=4 409 B6R0.2 CC(=O)NC(C)C AMY3785 [0,2,0,0,0,0|2,0,0]=4 410 B6R0.2 CC(C)CC(=O)O AMY40214 [0,2,0,0,0,0|1,0,0]=3 411 B6R0.2 CC(C)OC(=O)Cl AMY3776 [0,2,0,0,0,0|2,0,0]=4 412 B6R0.2 CC(O)CC(=O)[O-] AMY10051 [0,2,0,0,0,0|1,0,1]=4 413 B6R0.2 CC(O)CC(=O)[O-] AMY10054 [0,2,0,0,0,0|1,0,1]=4 414 B6R0.2 CN(C)CC(=O)O AM20080064 [0,2,0,0,0,0|1,0,0]=3 415 B6R0.2 CN(C)CC(=O)O AM81799 [0,2,0,0,0,0|1,0,0]=3 416 B6R0.2 CN(C)CC(=O)[O-] AMY42162 [0,2,0,0,0,0|1,0,1]=4 417 B6R0.2 CN(C)CC(=O)[O-] AMY42163 [0,2,0,0,0,0|1,0,1]=4 418 B6R0.2 C[C@@H](O)CC(=O)O AMY24176 [0,2,0,0,0,0|1,0,0]=3 419 B6R0.2 C[C@H](N)CC(=O)O AM20100008 [0,2,0,0,0,0|1,0,0]=3 420 B6R0.2 C[C@H](N)CC(=O)O AM20100009 [0,2,0,0,0,0|1,0,0]=3 421 B6R0.2 C[C@H](N)CC(=O)O AM20100428 [0,2,0,0,0,0|1,0,0]=3 422 B6R0.2 C[C@H](N)CC(=O)O AM804090 [0,2,0,0,0,0|1,0,0]=3 423 B6R0.2 C[C@H](O)CC(=O)O AMY10050 [0,2,0,0,0,0|1,0,0]=3 424 B6R0.2 C[C@H](O)CC(=O)O AMY24175 [0,2,0,0,0,0|1,0,0]=3 425 B6R0.2 C[C@H](O)CC(=O)[O-] AM86469 [0,2,0,0,0,0|1,0,1]=4 426 B6R0.2 C[C@H](O)CC(=O)[O-] AMY10052 [0,2,0,0,0,0|1,0,1]=4 427 B6R0.2 C[C@H](O)CC(=O)[O-] AMY10055 [0,2,0,0,0,0|1,0,1]=4 428 B6R0.2 C[S+](C)CC(=O)[O-] AM90363 [0,2,0,0,0,0|1,0,1]=4 429 B6R0.2 NC(=O)C[N+](=O)[O-] AM86587 [0,2,0,0,0,0|2,0,0]=4 430 B6R0.2 O=C(Cl)CC(=O)Cl AM10012 [0,2,0,0,0,0|1,0,0]=3 431 B6R0.2 O=C(O)C=C(Cl)Cl AMY14156 [0,2,0,0,0,0|0,0,1]=3 432 B6R0.2 O=C(O)CC(=O)O AMY11201 [0,2,0,0,0,0|1,0,0]=3 433 B6R0.2 O=C(O)CC(F)F AMY6157 [0,2,0,0,0,0|0,1,0]=3 434 B6R0.3 C=C(F)C(=O)OC AM20120633 [0,2,0,0,0,0|0,1,1]=4 435 B6R0.3 CC(=O)C(=O)CBr AMY23002 [0,2,0,0,0,0|0,1,1]=4 436 B6R0.3 CC(=O)C(=O)CCl AMY42031 [0,2,0,0,0,0|0,0,1]=3 437 B6R0.3 CC(=O)[C@@H](C)C=O AMY6397 [0,2,0,0,0,0|2,0,0]=4 438 B6R0.3 CC(C)C(=N)NO AM803769 [0,2,0,0,0,0|2,0,0]=4 439 B6R0.3 CC(C)C(=O)NN AMY3958 [0,2,0,0,0,0|2,0,0]=4 440 B6R0.3 CC(C)\C(Cl)=N\O AMY37414 [0,2,0,0,0,0|2,0,0]=4 441 B6R0.3 CCC(=O)C(=O)O AM90224 [0,2,0,0,0,0|1,0,0]=3 442 B6R0.3 CCC(=O)C(=O)[O-] AMY7718 [0,2,0,0,0,0|1,0,1]=4 443 B6R0.3 CCC(=O)C(C)=O AMY4046 [0,2,0,0,0,0|1,0,1]=4 444 B6R0.3 CCC(=O)N(C)C AMY38676 [0,2,0,0,0,0|2,0,0]=4 445 B6R0.3 CCC(=O)[C@H](C)Br AMY6079 [0,2,0,0,0,0|1,1,0]=4 446 B6R0.3 CCN(C)C(=O)Cl AM20090787 [0,2,0,0,0,0|2,0,0]=4 447 B6R0.3 CCN(O)C(C)=O AMY33549 [0,2,0,0,0,0|2,0,0]=4 448 B6R0.3 CC[C@@H](Br)C(=O)O AMY2458 [0,2,0,0,0,0|0,1,0]=3 449 B6R0.3 CC[C@@H](N)C(N)=O AMY725 [0,2,0,0,0,0|2,0,0]=4 450 B6R0.3 CC[C@H](Br)C(=O)O AM81433 [0,2,0,0,0,0|0,1,0]=3 451 B6R0.3 CC[C@H](C)C(=O)O AM802977 [0,2,0,0,0,0|1,0,0]=3 452 B6R0.3 CC[C@H](N)C(=O)O AM20080375 [0,2,0,0,0,0|1,0,0]=3 453 B6R0.3 CC[C@H](N)C(=O)O AM20090323 [0,2,0,0,0,0|1,0,0]=3 454 B6R0.3 CC[C@H](N)C(=O)O AM20090360 [0,2,0,0,0,0|1,0,0]=3 455 B6R0.3 CC[C@H](N)C(N)=O AM20100759 [0,2,0,0,0,0|2,0,0]=4 456 B6R0.3 CC[C@H](N)C(N)=O AM20120294 [0,2,0,0,0,0|2,0,0]=4 457 B6R0.3 CC[C@H](S)C(=O)O AMY2446 [0,2,0,0,0,0|1,0,0]=3 458 B6R0.3 CN(C)C(=O)CCl AM84854 [0,2,0,0,0,0|1,0,0]=3 459 B6R0.3 CN(C)C(=O)CI AM805909 [0,2,0,0,0,0|1,1,0]=4 460 B6R0.3 CN(C)C(=O)CN AM20100689 [0,2,0,0,0,0|2,0,0]=4 461 B6R0.3 CN(C)C(=O)CN AMY4281 [0,2,0,0,0,0|2,0,0]=4 462 B6R0.3 CN[C@@H](C)C(=O)O AM81482 [0,2,0,0,0,0|1,0,0]=3 463 B6R0.3 CN[C@@H](C)C(=O)O AM82991 [0,2,0,0,0,0|1,0,0]=3 464 B6R0.3 CN[C@@H](C)C(=O)O AM9397 [0,2,0,0,0,0|1,0,0]=3 465 B6R0.3 CN[C@@H](C)C(=O)[O-] AM9064 [0,2,0,0,0,0|1,0,1]=4 466 B6R0.3 CN[C@H](C)C(=O)O AMY25382 [0,2,0,0,0,0|1,0,0]=3 467 B6R0.3 COC(=O)C(=N)N AM804117 [0,2,0,0,0,0|1,0,1]=4 468 B6R0.3 COC(=O)C(C)=O AMY40825 [0,2,0,0,0,0|1,0,1]=4 469 B6R0.3 COC(=O)C(F)F AMY3631 [0,2,0,0,0,0|0,1,0]=3 470 B6R0.3 COC(=O)[C@H](C)Br AMY21873 [0,2,0,0,0,0|0,1,0]=3 471 B6R0.3 COC(=O)[C@H](C)Cl AM81434 [0,2,0,0,0,0|0,0,0]=2 472 B6R0.3 COC(=O)[C@H](C)Cl AM81435 [0,2,0,0,0,0|0,0,0]=2 473 B6R0.3 COC(=O)[C@H](C)Cl AMY3875 [0,2,0,0,0,0|0,0,0]=2 474 B6R0.3 COC(=O)[C@H](C)N AM20080254 [0,2,0,0,0,0|1,0,0]=3 475 B6R0.3 COC(=O)[C@H](C)N AM20090283 [0,2,0,0,0,0|1,0,0]=3 476 B6R0.3 COC(=O)[C@H](C)N AM81485 [0,2,0,0,0,0|1,0,0]=3 477 B6R0.3 CO[C@H](C)C(=O)O AM84813 [0,2,0,0,0,0|1,0,0]=3 478 B6R0.3 C[C@@H](CN)C(=O)O AMY22008 [0,2,0,0,0,0|1,0,0]=3 479 B6R0.3 C[C@@H](CO)C(=O)O AMY18825 [0,2,0,0,0,0|1,0,0]=3 480 B6R0.3 C[C@H](C#N)C(=O)O AMY19783 [0,2,0,0,0,0|1,0,0]=3 481 B6R0.3 C\C=C(\C)C(=O)O AMY19230 [0,2,0,0,0,0|1,0,1]=4 482 B6R0.3 ClCC(Cl)=C(Cl)Cl AMY15516 [0,2,0,0,0,0|2,0,0]=4 483 B6R0.3 N#C[C@@H](N)C(N)=O AMY203 [0,2,0,0,0,0|2,0,0]=4 484 B6R0.3 NC(=O)C(N)CO AM806435 [0,2,0,0,0,0|2,0,0]=4 485 B6R0.3 NC(=O)[C@@H](N)CO AM20100594 [0,2,0,0,0,0|2,0,0]=4 486 B6R0.3 NC[C@H](N)C(=O)O AM20080367 [0,2,0,0,0,0|1,0,0]=3 487 B6R0.3 NC[C@H](N)C(=O)O AM20100354 [0,2,0,0,0,0|1,0,0]=3 488 B6R0.3 NC[C@H](N)C(=O)O AM20100470 [0,2,0,0,0,0|1,0,0]=3 489 B6R0.3 NC[C@H](O)C(=O)O AM1113 [0,2,0,0,0,0|1,0,0]=3 490 B6R0.3 NC[C@H](O)C(=O)O AM82574 [0,2,0,0,0,0|1,0,0]=3 491 B6R0.3 NNC(=O)C(F)F AMY7118 [0,2,0,0,0,0|1,1,0]=4 492 B6R0.3 N[C@@H](CCl)C(=O)O AMY22074 [0,2,0,0,0,0|0,0,0]=2 493 B6R0.3 N[C@@H](CCl)C(=O)O AMY22075 [0,2,0,0,0,0|0,0,0]=2 494 B6R0.3 N[C@@H](CO)C(=O)O AM20090412 [0,2,0,0,0,0|1,0,0]=3 495 B6R0.3 N[C@@H](CO)C(=O)O AM20090441 [0,2,0,0,0,0|1,0,0]=3 496 B6R0.3 N[C@@H](CO)C(=O)O AM20100375 [0,2,0,0,0,0|1,0,0]=3 497 B6R0.3 N[C@@H](CS)C(=O)O AM20070682 [0,2,0,0,0,0|1,0,0]=3 498 B6R0.3 N[C@@H](CS)C(=O)O AM81647 [0,2,0,0,0,0|1,0,0]=3 499 B6R0.3 N[C@@H](CS)C(=O)O AM81648 [0,2,0,0,0,0|1,0,0]=3 500 B6R0.3 N[C@@H](CS)C(=O)O AM81649 [0,2,0,0,0,0|1,0,0]=3 501 B6R0.3 N[C@@H](CS)C(=O)O AM81651 [0,2,0,0,0,0|1,0,0]=3 502 B6R0.3 N[C@H](CCl)C(=O)O AMY19767 [0,2,0,0,0,0|0,0,0]=2 503 B6R0.3 O=C(O)C(=O)CBr AM84337 [0,2,0,0,0,0|0,1,0]=3 504 B6R0.3 O=C(O)[C@@H](Br)CBr AM20100466 [0,2,0,0,0,0|0,1,0]=3 505 B6R0.4 C#CCOC(=O)Cl AMY3955 [0,2,0,0,0,0|2,0,0]=4 506 B6R0.4 C#CCOC(C)=O AM90264 [0,2,0,0,0,0|2,0,0]=4 507 B6R0.4 C=CCCC(=O)Cl AMY808 [0,2,0,0,0,0|2,0,0]=4 508 B6R0.4 C=CCCC(=O)O AMY12553 [0,2,0,0,0,0|1,0,0]=3 509 B6R0.4 C=CCCC(C)=O AM84335 [0,2,0,0,0,0|2,0,0]=4 510 B6R0.4 C=CCOC(=O)Cl AMY3928 [0,2,0,0,0,0|2,0,0]=4 511 B6R0.4 C=CCOC(C)=O AMY22115 [0,2,0,0,0,0|2,0,0]=4 512 B6R0.4 C=CNCC(=O)O AMY22733 [0,2,0,0,0,0|1,0,0]=3 513 B6R0.4 CC(=O)NCCN AMY40665 [0,2,0,0,0,0|2,0,0]=4 514 B6R0.4 CCCCC(=O)[O-] AMY026 [0,2,0,0,0,0|1,0,1]=4 515 B6R0.4 CCCOC(=O)Cl AMY3779 [0,2,0,0,0,0|2,0,0]=4 516 B6R0.4 CCOCC(=O)O AMY4062 [0,2,0,0,0,0|1,0,0]=3 517 B6R0.4 CCSCC(=O)O AM20100532 [0,2,0,0,0,0|1,0,0]=3 518 B6R0.4 CNCCC(=O)O AM84855 [0,2,0,0,0,0|1,0,0]=3 519 B6R0.4 COCCC(=O)O AMY2689 [0,2,0,0,0,0|1,0,0]=3 520 B6R0.4 NC(=O)OCCCl AMY19018 [0,2,0,0,0,0|1,0,0]=3 521 B6R0.4 NCCCC(=O)O AM20100372 [0,2,0,0,0,0|1,0,0]=3 522 B6R0.4 NCCCC(N)=O AMY15220 [0,2,0,0,0,0|2,0,0]=4 523 B6R0.4 O=C(Cl)CCCCl AMY25684 [0,2,0,0,0,0|1,0,0]=3 524 B6R0.4 O=C(O)CCCS AM20080221 [0,2,0,0,0,0|1,0,0]=3 525 B6R0.4 O=C(O)\C=C\CBr AMY7050 [0,2,0,0,0,0|0,1,0]=3 526 B6R0.4 OB(O)\C=C\CCl AMY1186 [0,2,0,0,0,0|1,0,1]=4 527 B6R0.5 CS(=O)(=O)CCCl AM803975 [0,2,0,0,0,0|1,0,1]=4 528 B6R0.5 NCCP(=O)(O)O AMY31171 [0,2,0,0,0,0|2,0,0]=4 529 B6R0.5 NCCS(=O)(=O)O AM20080018 [0,2,0,0,0,0|2,0,0]=4 530 B6R0.5 O=P(O)(O)CCBr AMY31194 [0,2,0,0,0,0|1,1,0]=4 531 B6R0.5 O=S(=O)(Cl)CCCl AMY11389 [0,2,0,0,0,0|1,0,1]=4 532 B6R0.5 O=S(=O)(Cl)OCCl AM1030 [0,2,0,0,0,0|1,0,1]=4 533 B6R0.8 CC(C)(CO)CCl AMY42053 [0,2,0,0,0,0|1,0,1]=4 534 B6R0.9 COC(CCl)OC AMY3314 [0,2,0,0,0,0|0,0,2]=4 535 B6R0.7 CC(=O)C(C)(C)N AM806454 [0,2,0,0,0,0|2,0,0]=4 536 B6R0.7 CC(=O)C(C)(C)O AM84347 [0,2,0,0,0,0|2,0,0]=4 537 B6R0.7 CC(=O)C(F)(F)F AMY3622 [0,2,0,0,0,0|1,1,0]=4 538 B6R0.7 CC(C)(Br)C(=O)Br AM84723 [0,2,0,0,0,0|1,1,0]=4 539 B6R0.7 CC(C)(Br)C(=O)O AM20090161 [0,2,0,0,0,0|0,1,0]=3 540 B6R0.7 CC(C)(Br)C(N)=O AMY7268 [0,2,0,0,0,0|1,1,0]=4 541 B6R0.7 CC(C)(N)C(=O)O AM20100517 [0,2,0,0,0,0|1,0,0]=3 542 B6R0.7 CC(C)(N)C(N)=O AMY20154 [0,2,0,0,0,0|2,0,0]=4 543 B6R0.7 CC(F)(F)C(=O)O AMY1273 [0,2,0,0,0,0|0,1,0]=3 544 B6R0.7 NC(=O)C(F)(F)F AMY3625 [0,2,0,0,0,0|1,1,0]=4 545 B6R0.7 O=C(Cl)C(F)(F)F AMY3623 [0,2,0,0,0,0|1,1,0]=4 546 B6R0.7 O=C(O)C(Br)(Br)Br AMY18080 [0,2,0,0,0,0|0,1,0]=3 547 B6R0.7 O=C(O)C(F)(F)Br AMY6892 [0,2,0,0,0,0|0,1,0]=3 548 B6R0.7 O=C(O)C(F)(F)Cl AMY3628 [0,2,0,0,0,0|0,0,0]=2 549 B6R0.7 O=C(O)C(F)(F)F AM10013 [0,2,0,0,0,0|0,1,0]=3 550 B6R0.7 O=C(O)C(F)(F)F AMY22314 [0,2,0,0,0,0|0,1,0]=3 551 B6R0.7 O=C(O)C(F)(F)F AMY35811 [0,2,0,0,0,0|0,1,0]=3 552 B6R0.7 O=C(O)C(F)(F)F AMY3605 [0,2,0,0,0,0|0,1,0]=3 553 B6R0.7 O=C([O-])C(F)(F)Br AMY6893 [0,2,0,0,0,0|0,1,1]=4 554 B6R0.7 O=C([O-])C(F)(F)Br AMY7112 [0,2,0,0,0,0|0,1,1]=4 555 B6R0.7 O=C([O-])C(F)(F)Cl AMY6799 [0,2,0,0,0,0|0,0,1]=3 556 B6R0.7 O=C([O-])C(F)(F)F AMY11767 [0,2,0,0,0,0|0,1,1]=4 557 B6R0.7 O=C([O-])C(F)(F)F AMY19734 [0,2,0,0,0,0|0,1,1]=4 558 B6R0.7 O=C([O-])C(F)(F)F AMY37341 [0,2,0,0,0,0|0,1,1]=4 559 B4R1.1 C1COC1 AM20020039 [1,0,0,1,0,0|1,0,1]=4 560 B4R1.2 C[C@H]1CO1 AM81470 [1,0,0,1,0,0|1,0,1]=4 561 B4R1.2 C[C@H]1CO1 AM81471 [1,0,0,1,0,0|1,0,1]=4 562 B4R1.2 OC1CC1 AMY35209 [1,0,0,1,0,0|1,0,1]=4 563 B6R1.2 C=C1CCOC1 AMY6014 [0,1,0,1,0,0|2,0,0]=4 564 B6R1.2 O=C1C=CCC1 AM61702 [0,1,0,1,0,0|2,0,0]=4 565 B6R1.2 O=C1C=CCO1 AM20100212 [0,1,0,1,0,0|1,0,1]=4 566 B6R1.2 O=C1CC=NN1 AMY11924 [0,1,0,1,0,0|2,0,0]=4 567 B6R1.2 O=C1CCCC1 AMY37126 [0,1,0,1,0,0|2,0,0]=4 568 B6R1.2 O=C1CCCN1 AMY25506 [0,1,0,1,0,0|2,0,0]=4 569 B6R1.2 O=C1CCNC1 AM20120384 [0,1,0,1,0,0|2,0,0]=4 570 B6R1.2 O=C1CCNC1 AMY6183 [0,1,0,1,0,0|2,0,0]=4 571 B6R1.2 O=C1CCNN1 AMY39277 [0,1,0,1,0,0|2,0,0]=4 572 B6R1.2 O=C1CCOC1 AM20090235 [0,1,0,1,0,0|1,0,0]=3 573 B6R1.2 O=C1CCSC1 AMY23378 [0,1,0,1,0,0|1,1,0]=4 574 B6R1.2 O=C1CNCN1 AM84594 [0,1,0,1,0,0|2,0,0]=4 575 B6R1.2 O=C1NCCN1 AM20080146 [0,1,0,1,0,0|2,0,0]=4 576 B6R1.2 O=C1NCCO1 AMY39498 [0,1,0,1,0,0|1,0,0]=3 577 B6R1.2 O=C1OC=CO1 AMY10397 [0,1,0,1,0,0|1,0,1]=4 578 B6R1.5 CC1CC(=O)C1 AM806996 [0,1,0,1,0,0|2,0,0]=4 579 B6R1.5 NC1CC(=O)C1 AM20070559 [0,1,0,1,0,0|2,0,0]=4 580 B6R1.5 O=C1CC(O)C1 AMY33736 [0,1,0,1,0,0|2,0,0]=4 581 B6R1.11 CC(=O)C1CC1 AM83286 [0,1,0,1,0,0|2,0,0]=4 582 B6R1.11 NC(=O)C1CC1 AM20100524 [0,1,0,1,0,0|2,0,0]=4 583 B6R1.11 NC(=O)[C@@H]1CN1 AMY19258 [0,1,0,1,0,0|2,0,0]=4 584 B6R1.11 O=C(Cl)C1CC1 AMY3975 [0,1,0,1,0,0|2,0,0]=4 585 B6R1.11 O=C(O)C1CC1 AM83282 [0,1,0,1,0,0|1,0,0]=3 586 B6R1.11 O=C([O-])[C@@H]1CO1 AM85800 [0,1,0,1,0,0|1,0,1]=4 587 B6R1.6 ClCC1COC1 AM807016 [0,1,0,1,0,0|1,0,1]=4 588 B6R1.6 ClC[C@H]1CCO1 AM807017 [0,1,0,1,0,0|1,0,1]=4