0 B4R0.1 C#CC(=O)O AMY7000 [0,0,0,0,0,0|2,0,0]=2 1 B4R0.1 C#CC(N)=O AM20100705 [0,0,0,0,0,0|2,0,0]=2 2 B4R0.1 C#C[C@@H](C)O AMY24232 [0,0,0,0,0,0|1,0,2]=3 3 B4R0.1 C#C[C@H](C)Br AMY12092 [0,0,0,0,0,0|2,0,1]=3 4 B4R0.1 C#C[C@H](C)N AM806670 [0,0,0,0,0,0|2,0,1]=3 5 B4R0.1 C#C[C@H](C)O AMY34392 [0,0,0,0,0,0|1,0,2]=3 6 B4R0.1 C=C(Br)C=O AMY19362 [0,0,0,0,0,0|2,0,2]=4 7 B4R0.1 C=C(C)C=O AMY28760 [0,0,0,0,0,0|2,0,1]=3 8 B4R0.1 C=C(C)CBr AM85592 [0,0,0,0,0,0|2,0,1]=3 9 B4R0.1 C=C(C)CN AMY13356 [0,0,0,0,0,0|1,0,2]=3 10 B4R0.1 C=C(Cl)C#N AMY25815 [0,0,0,0,0,0|1,0,1]=2 11 B4R0.1 C=C(Cl)CCl AMY4111 [0,0,0,0,0,0|2,0,2]=4 12 B4R0.1 C=C=C(C)C AMY42296 [0,0,0,0,0,0|2,0,1]=3 13 B4R0.1 C=CC(=C)C AMY37001 [0,0,0,0,0,0|2,0,1]=3 14 B4R0.1 C=CC(=O)Cl AMY18873 [0,0,0,0,0,0|2,0,1]=3 15 B4R0.1 C=CC(=O)[O-] AMY3817 [0,0,0,0,0,0|2,0,1]=3 16 B4R0.1 C=C[C@H](C)Cl AMY617 [0,0,0,0,0,0|2,0,2]=4 17 B4R0.1 C=C[C@H](C)O AMY1257 [0,0,0,0,0,0|1,0,3]=4 18 B4R0.1 C=C[N+](=O)[O-] AMY36706 [0,0,0,0,0,0|3,0,1]=4 19 B4R0.1 CC(=N)NO AMY18111 [0,0,0,0,0,0|3,0,0]=3 20 B4R0.1 CC(=O)C#N AMY39183 [0,0,0,0,0,0|0,0,0]=0 21 B4R0.1 CC(=O)CBr AM85840 [0,0,0,0,0,0|1,0,1]=2 22 B4R0.1 CC(=O)CN AMY15017 [0,0,0,0,0,0|0,0,2]=2 23 B4R0.1 CC(=O)CN AMY25062 [0,0,0,0,0,0|0,0,2]=2 24 B4R0.1 CC(=O)NN AM20080014 [0,0,0,0,0,0|1,0,1]=2 25 B4R0.1 CC(=O)NO AM20100343 [0,0,0,0,0,0|2,0,0]=2 26 B4R0.1 CC(C)=CBr AM85707 [0,0,0,0,0,0|2,0,1]=3 27 B4R0.1 CC(C)=NN AM9761 [0,0,0,0,0,0|2,0,1]=3 28 B4R0.1 CC(C)=NO AM90369 [0,0,0,0,0,0|3,0,0]=3 29 B4R0.1 CC(C)CBr AMY25783 [0,0,0,0,0,0|2,0,2]=4 30 B4R0.1 CC(C)NN AM20090002 [0,0,0,0,0,0|2,0,2]=4 31 B4R0.1 CC(C)NN AMY202003297 [0,0,0,0,0,0|2,0,2]=4 32 B4R0.1 CC(C)ON AM90376 [0,0,0,0,0,0|2,0,2]=4 33 B4R0.1 CCC(=N)N AM803843 [0,0,0,0,0,0|3,0,1]=4 34 B4R0.1 CCC(=O)Cl AMY4112 [0,0,0,0,0,0|2,0,1]=3 35 B4R0.1 CCC(=O)O AMY4114 [0,0,0,0,0,0|2,0,1]=3 36 B4R0.1 CCC(=O)[O-] AMY22300 [0,0,0,0,0,0|2,0,1]=3 37 B4R0.1 CCC(=O)[O-] AMY37013 [0,0,0,0,0,0|2,0,1]=3 38 B4R0.1 CCC(C)[O-] AMY22246 [0,0,0,0,0,0|1,0,3]=4 39 B4R0.1 CCC(N)=S AMY39288 [0,0,0,0,0,0|2,1,1]=4 40 B4R0.1 CCN(C)C AMY13339 [0,0,0,0,0,0|3,0,1]=4 41 B4R0.1 CC[C@H](C)O AMY11001 [0,0,0,0,0,0|1,0,3]=4 42 B4R0.1 CC[S@](=O)[O-] AMY15674 [0,0,0,0,0,0|3,0,1]=4 43 B4R0.1 CN(C)C=S AMY40664 [0,0,0,0,0,0|3,0,1]=4 44 B4R0.1 CN(C)CCl AMY39211 [0,0,0,0,0,0|3,0,1]=4 45 B4R0.1 CNC(=N)N AM20090228 [0,0,0,0,0,0|4,0,0]=4 46 B4R0.1 CNC(C)=O AMY4115 [0,0,0,0,0,0|2,0,0]=2 47 B4R0.1 CNC(C)C AMY13353 [0,0,0,0,0,0|3,0,1]=4 48 B4R0.1 CNC(N)=O AMY40217 [0,0,0,0,0,0|3,0,0]=3 49 B4R0.1 COC(=N)N AM85805 [0,0,0,0,0,0|4,0,0]=4 50 B4R0.1 COC(=N)N AMY8981 [0,0,0,0,0,0|4,0,0]=4 51 B4R0.1 COC(N)=O AMY4044 [0,0,0,0,0,0|3,0,0]=3 52 B4R0.1 CSC(=N)N AMY22236 [0,0,0,0,0,0|4,0,0]=4 53 B4R0.1 CSC(=N)N AMY304 [0,0,0,0,0,0|4,0,0]=4 54 B4R0.1 C[C@@H](Cl)CO AMY21413 [0,0,0,0,0,0|2,0,2]=4 55 B4R0.1 C[C@@H](N)CN AMY3648 [0,0,0,0,0,0|1,0,3]=4 56 B4R0.1 C[C@H](Br)C#N AMY39192 [0,0,0,0,0,0|1,0,1]=2 57 B4R0.1 C[C@H](Cl)CO AMY21357 [0,0,0,0,0,0|2,0,2]=4 58 B4R0.1 C[C@H](N)C#N AM9634 [0,0,0,0,0,0|1,0,1]=2 59 B4R0.1 C[C@H](N)CN AMY3672 [0,0,0,0,0,0|1,0,3]=4 60 B4R0.1 C[C@H](N)CO AM20090557 [0,0,0,0,0,0|2,0,2]=4 61 B4R0.1 C[C@H](N)CO AM20100507 [0,0,0,0,0,0|2,0,2]=4 62 B4R0.1 C[C@H](O)CN AM20090353 [0,0,0,0,0,0|0,0,4]=4 63 B4R0.1 C[C@H](O)CN AM20100779 [0,0,0,0,0,0|0,0,4]=4 64 B4R0.1 C[C@H](O)CN AM81450 [0,0,0,0,0,0|0,0,4]=4 65 B4R0.1 N#CC(Cl)Cl AMY3929 [0,0,0,0,0,0|2,0,1]=3 66 B4R0.1 N=C(N)NN AMY40484 [0,0,0,0,0,0|3,0,1]=4 67 B4R0.1 N=C(N)NN AMY873 [0,0,0,0,0,0|3,0,1]=4 68 B4R0.1 N=C(N)NO AMY31983 [0,0,0,0,0,0|4,0,0]=4 69 B4R0.1 NC(=O)CBr AM85872 [0,0,0,0,0,0|2,0,1]=3 70 B4R0.1 NC(=O)CCl AMY4113 [0,0,0,0,0,0|2,0,1]=3 71 B4R0.1 NC(=O)NO AMY40858 [0,0,0,0,0,0|3,0,0]=3 72 B4R0.1 NCC(=O)O AM81781 [0,0,0,0,0,0|1,0,2]=3 73 B4R0.1 NCC(=O)[O-] AMY37022 [0,0,0,0,0,0|1,0,2]=3 74 B4R0.1 NCC(N)=O AM20080473 [0,0,0,0,0,0|1,0,2]=3 75 B4R0.1 NCC(N)=O AMY20517 [0,0,0,0,0,0|1,0,2]=3 76 B4R0.1 NCC(N)=O AMY22705 [0,0,0,0,0,0|1,0,2]=3 77 B4R0.1 NNC(N)=S AM20100785 [0,0,0,0,0,0|2,1,1]=4 78 B4R0.1 O=C(Br)CBr AMY21867 [0,0,0,0,0,0|2,0,1]=3 79 B4R0.1 O=C(Cl)CBr AMY13645 [0,0,0,0,0,0|2,0,1]=3 80 B4R0.1 O=C(Cl)CCl AMY40193 [0,0,0,0,0,0|2,0,1]=3 81 B4R0.1 O=C([O-])CS AMY25320 [0,0,0,0,0,0|2,0,1]=3 82 B4R0.1 O=CC(=O)O AMY40947 [0,0,0,0,0,0|2,0,1]=3 83 B4R0.1 O=[N+]([O-])CBr AMY33516 [0,0,0,0,0,0|3,0,1]=4 84 B4R0.1 ON=C(Br)Br AMY16047 [0,0,0,0,0,0|4,0,0]=4 85 B4R0.1 [Li]CC(C)C AMY14929 [0,0,0,0,0,0|2,0,2]=4 86 B4R0.1 [Li][C@@H](C)CC AMY14890 [0,0,0,0,0,0|2,0,2]=4 87 B3R0.1 C#CCBr AM85466 [1,0,0,0,0,0|2,0,1]=4 88 B3R0.1 C#CCN AM86798 [1,0,0,0,0,0|2,0,1]=4 89 B3R0.1 C#CCN AMY22227 [1,0,0,0,0,0|2,0,1]=4 90 B3R0.1 C=CCN AMY22118 [1,0,0,0,0,0|0,0,3]=4 91 B3R0.1 CC#C[Mg+] AMY1254 [1,0,0,0,0,0|1,0,1]=3 92 B3R0.1 CCCO AMY11110 [1,0,0,0,0,0|1,0,2]=4 93 B3R0.1 CCNN AM10026 [1,0,0,0,0,0|1,0,2]=4 94 B3R0.1 CCNN AMY202003286 [1,0,0,0,0,0|1,0,2]=4 95 B3R0.1 CCON AM90373 [1,0,0,0,0,0|1,0,2]=4 96 B3R0.1 CN=C=S AMY11073 [1,0,0,0,0,0|2,0,1]=4 97 B3R0.1 CNOC AM20100609 [1,0,0,0,0,0|3,0,0]=4 98 B3R0.1 CSSC AMY39506 [1,0,0,0,0,0|3,0,0]=4 99 B3R0.1 C[Se][Se]C AMY31938 [1,0,0,0,0,0|3,0,0]=4 100 B3R0.1 C\C=C\Br AMY19968 [1,0,0,0,0,0|1,0,1]=3 101 B3R0.1 N#CCBr AMY21970 [1,0,0,0,0,0|1,0,1]=3 102 B3R0.1 N#CCF AMY33527 [1,0,0,0,0,0|1,0,1]=3 103 B3R0.1 N#CCN AMY19488 [1,0,0,0,0,0|1,0,1]=3 104 B3R0.1 NNC=O AM9981 [1,0,0,0,0,0|1,0,1]=3 105 B3R0.2 C=C(C)Br AMY955 [1,0,0,0,0,0|1,0,1]=3 106 B3R0.2 C=C(C)[Mg+] AMY1042 [1,0,0,0,0,0|1,0,1]=3 107 B3R0.2 C=C(F)Cl AMY6847 [1,0,0,0,0,0|2,0,1]=4 108 B3R0.2 CC(=O)Br AMY21856 [1,0,0,0,0,0|1,0,0]=2 109 B3R0.2 CC(=O)O AMY21906 [1,0,0,0,0,0|1,0,0]=2 110 B3R0.2 CC(=O)O AMY41276 [1,0,0,0,0,0|1,0,0]=2 111 B3R0.2 CC(=O)[O-] AMY11747 [1,0,0,0,0,0|1,0,0]=2 112 B3R0.2 CC(=O)[O-] AMY1789 [1,0,0,0,0,0|1,0,0]=2 113 B3R0.2 CC(=O)[O-] AMY22485 [1,0,0,0,0,0|1,0,0]=2 114 B3R0.2 CC(=O)[O-] AMY22494 [1,0,0,0,0,0|1,0,0]=2 115 B3R0.2 CC(=O)[O-] AMY23396 [1,0,0,0,0,0|1,0,0]=2 116 B3R0.2 CC(=O)[O-] AMY23411 [1,0,0,0,0,0|1,0,0]=2 117 B3R0.2 CC(=O)[O-] AMY37172 [1,0,0,0,0,0|1,0,0]=2 118 B3R0.2 CC(=O)[O-] AMY9236 [1,0,0,0,0,0|1,0,0]=2 119 B3R0.2 CC(C)Br AMY37129 [1,0,0,0,0,0|1,0,2]=4 120 B3R0.2 CC(C)O AMY11029 [1,0,0,0,0,0|0,0,3]=4 121 B3R0.2 CC(C)[Mg+] AMY40195 [1,0,0,0,0,0|1,0,2]=4 122 B3R0.2 CC(C)[O-] AMY38606 [1,0,0,0,0,0|0,0,3]=4 123 B3R0.2 CC(C)[O-] AMY40472 [1,0,0,0,0,0|0,0,3]=4 124 B3R0.2 CP(C)C AMY19776 [1,0,0,0,0,0|2,0,1]=4 125 B3R0.2 CS(C)=O AMY14894 [1,0,0,0,0,0|1,0,1]=3 126 B3R0.2 C[PH](C)=O AM90266 [1,0,0,0,0,0|1,0,1]=3 127 B3R0.2 C[S+](C)C AMY12539 [1,0,0,0,0,0|2,0,1]=4 128 B3R0.2 C[S+](C)C AMY9344 [1,0,0,0,0,0|2,0,1]=4 129 B3R0.2 C[SiH](C)C AMY21899 [1,0,0,0,0,0|1,1,1]=4 130 B3R0.2 N=C(N)N AMY21875 [1,0,0,0,0,0|2,0,1]=4 131 B3R0.2 NC(=S)S AMY40763 [1,0,0,0,0,0|1,1,1]=4 132 B3R0.2 NC(N)=O AMY37159 [1,0,0,0,0,0|1,0,1]=3 133 B3R0.2 NC(N)=S AMY40190 [1,0,0,0,0,0|1,1,1]=4 134 B3R0.2 N[13C](N)=O AMY37002 [1,0,0,0,0,0|1,0,1]=3 135 B3R0.2 O=C([O-])O AMY40219 [1,0,0,0,0,0|2,0,0]=3 136 B3R0.2 O=C([O-])[O-] AMY31070 [1,0,0,0,0,0|2,0,0]=3 137 B3R0.2 O=[N+]([O-])[O-] AMY22245 [1,0,0,0,0,0|3,0,0]=4 138 B3R0.2 O=[N+]([O-])[O-] AMY22270 [1,0,0,0,0,0|3,0,0]=4 139 B3R0.2 O=[N+]([O-])[O-] AMY22502 [1,0,0,0,0,0|3,0,0]=4 140 B3R0.2 O=[Si]([O-])[O-] AMY37025 [1,0,0,0,0,0|2,1,0]=4 141 B5R0.1 C#CCC(=O)O AMY19285 [0,1,0,0,0,0|2,0,0]=3 142 B5R0.1 C=C(C)CCBr AMY7022 [0,1,0,0,0,0|2,0,1]=4 143 B5R0.1 C=CCC(C)=O AMY31929 [0,1,0,0,0,0|1,0,1]=3 144 B5R0.1 CC#CC(=O)Cl AMY41204 [0,1,0,0,0,0|2,0,0]=3 145 B5R0.1 CC#CC(=O)O AM90222 [0,1,0,0,0,0|2,0,0]=3 146 B5R0.1 CC(=O)CC#N AM86800 [0,1,0,0,0,0|0,0,0]=1 147 B5R0.1 CC(=O)CC#N AMY7035 [0,1,0,0,0,0|0,0,0]=1 148 B5R0.1 CC(=O)CCO AMY31061 [0,1,0,0,0,0|1,0,1]=3 149 B5R0.1 CC(=O)OCCl AMY28690 [0,1,0,0,0,0|1,0,1]=3 150 B5R0.1 CC(=O)\C=N\O AM806560 [0,1,0,0,0,0|0,0,2]=3 151 B5R0.1 CC(C)=CC=O AMY42093 [0,1,0,0,0,0|2,0,1]=4 152 B5R0.1 CC(C)=CCBr AMY21882 [0,1,0,0,0,0|2,0,1]=4 153 B5R0.1 CCCC(C)=O AMY25524 [0,1,0,0,0,0|1,0,1]=3 154 B5R0.1 CCOC(C)=N AM90190 [0,1,0,0,0,0|2,0,1]=4 155 B5R0.1 CCOC(N)=O AM20100253 [0,1,0,0,0,0|2,0,1]=4 156 B5R0.1 CCSC(C)=S AM90236 [0,1,0,0,0,0|1,1,1]=4 157 B5R0.1 CNCC(=O)O AM20080021 [0,1,0,0,0,0|1,0,2]=4 158 B5R0.1 CNCC(C)=O AM806508 [0,1,0,0,0,0|0,0,2]=3 159 B5R0.1 CNCC(N)=O AM82642 [0,1,0,0,0,0|1,0,2]=4 160 B5R0.1 COCC(=O)Cl AMY40728 [0,1,0,0,0,0|2,0,1]=4 161 B5R0.1 COCC(=O)O AMY4059 [0,1,0,0,0,0|2,0,1]=4 162 B5R0.1 CSCC(N)=O AMY10906 [0,1,0,0,0,0|2,0,1]=4 163 B5R0.1 C\C(Br)=C/CO AMY11209 [0,1,0,0,0,0|2,0,1]=4 164 B5R0.1 C\C=C\C(=O)O AMY11255 [0,1,0,0,0,0|2,0,1]=4 165 B5R0.1 C\C=C\C(C)=O AMY31928 [0,1,0,0,0,0|1,0,1]=3 166 B5R0.1 N#CCC(N)=O AM20080019 [0,1,0,0,0,0|1,0,0]=2 167 B5R0.1 N#CNC(N)=O AMY397 [0,1,0,0,0,0|1,0,0]=2 168 B5R0.1 NCCC(=O)O AM20080020 [0,1,0,0,0,0|1,0,2]=4 169 B5R0.1 NCCC(=O)O AMY22128 [0,1,0,0,0,0|1,0,2]=4 170 B5R0.1 NCCC(N)=O AM20100576 [0,1,0,0,0,0|1,0,2]=4 171 B5R0.1 NCCC(N)=O AMY6958 [0,1,0,0,0,0|1,0,2]=4 172 B5R0.1 NNCC(=O)O AMY202100023 [0,1,0,0,0,0|1,0,2]=4 173 B5R0.1 NOCC(=O)O AMY19484 [0,1,0,0,0,0|1,0,2]=4 174 B5R0.1 O=C(Cl)CCBr AM90184 [0,1,0,0,0,0|2,0,1]=4 175 B5R0.1 O=C(O)CCBr AM20100434 [0,1,0,0,0,0|2,0,1]=4 176 B5R0.1 O=C(O)CCF AM803932 [0,1,0,0,0,0|2,0,1]=4 177 B5R0.1 O=C(O)CCO AM85796 [0,1,0,0,0,0|2,0,1]=4 178 B5R0.1 O=C(O)CCS AMY27767 [0,1,0,0,0,0|2,0,1]=4 179 B5R0.1 O=C(O)\C=C/I AMY22685 [0,1,0,0,0,0|2,0,1]=4 180 B5R0.1 O=C(O)\C=C\I AM806037 [0,1,0,0,0,0|2,0,1]=4 181 B5R0.3 C#CC(=O)OC AMY7053 [0,1,0,0,0,0|1,0,0]=2 182 B5R0.3 C=C(CCl)CCl AM80980 [0,1,0,0,0,0|2,0,1]=4 183 B5R0.3 C=C(CO)CO AM20090550 [0,1,0,0,0,0|2,0,1]=4 184 B5R0.3 C=CC(=O)CBr AMY31126 [0,1,0,0,0,0|1,0,1]=3 185 B5R0.3 CCC(=O)CC AMY11060 [0,1,0,0,0,0|1,0,1]=3 186 B5R0.3 CCC(=O)OC AMY21940 [0,1,0,0,0,0|1,0,1]=3 187 B5R0.3 CC\C(C)=N\O AM90385 [0,1,0,0,0,0|1,0,2]=4 188 B5R0.3 CN(C=O)C=O AMY39203 [0,1,0,0,0,0|2,0,1]=4 189 B5R0.3 CNC(=O)NN AMY42564 [0,1,0,0,0,0|1,0,1]=3 190 B5R0.3 COC(=O)C=O AMY1633 [0,1,0,0,0,0|1,0,1]=3 191 B5R0.3 COC(=O)CF AM20100155 [0,1,0,0,0,0|1,0,1]=3 192 B5R0.3 COC(=O)CN AM81785 [0,1,0,0,0,0|0,0,2]=3 193 B5R0.3 COC(=O)OC AMY37165 [0,1,0,0,0,0|2,0,0]=3 194 B5R0.3 COS(=O)OC AMY18046 [0,1,0,0,0,0|3,0,0]=4 195 B5R0.3 N#CC(Br)C#N AM806769 [0,1,0,0,0,0|1,0,2]=4 196 B5R0.3 NNC(=O)CCl AMY39922 [0,1,0,0,0,0|1,0,1]=3 197 B5R0.3 NNC(=O)CO AM803763 [0,1,0,0,0,0|1,0,1]=3 198 B5R0.3 NNC(=O)NN AMY40845 [0,1,0,0,0,0|2,0,1]=4 199 B5R0.3 O=C(CBr)CBr AM85919 [0,1,0,0,0,0|1,0,1]=3 200 B5R0.3 O=C(CO)CBr AMY19754 [0,1,0,0,0,0|1,0,1]=3 201 B5R0.4 C#CC(C)(C)Cl AMY19182 [0,1,0,0,0,0|2,0,1]=4 202 B5R0.4 C#CC(C)(C)F AMY30164 [0,1,0,0,0,0|2,0,1]=4 203 B5R0.4 C#CC(C)(C)N AMY19729 [0,1,0,0,0,0|2,0,1]=4 204 B5R0.4 C#CC(C)(C)O AMY3792 [0,1,0,0,0,0|1,0,2]=4 205 B5R0.4 C#C[Si](C)(C)C AMY1236 [0,1,0,0,0,0|2,1,0]=4 206 B5R0.4 CC(C)(N)C#N AM20090129 [0,1,0,0,0,0|1,0,1]=3 207 B5R0.4 CNS(C)(=O)=O AMY40669 [0,1,0,0,0,0|3,0,0]=4 208 B5R0.4 CP(C)(=O)CCl AM10868 [0,1,0,0,0,0|2,0,1]=4 209 B5R0.4 CP(C)(=O)CO AM10876 [0,1,0,0,0,0|2,0,1]=4 210 B5R0.4 CS(=O)(=O)NN AM85458 [0,1,0,0,0,0|2,0,1]=4 211 B5R0.4 CSS(C)(=O)=O AM20080910 [0,1,0,0,0,0|3,0,0]=4 212 B5R0.4 C[Si](C)(C)C#N AMY6985 [0,1,0,0,0,0|1,1,0]=3 213 B5R0.5 C=C(C)C(=O)Cl AMY25816 [0,1,0,0,0,0|2,0,1]=4 214 B5R0.5 C=C(C)C(N)=O AMY13351 [0,1,0,0,0,0|1,0,2]=4 215 B5R0.5 C=C(F)C(=O)O AM84938 [0,1,0,0,0,0|2,0,1]=4 216 B5R0.5 CC(=O)C(=O)O AMY6082 [0,1,0,0,0,0|1,0,1]=3 217 B5R0.5 CC(=O)C(=O)[O-] AMY25534 [0,1,0,0,0,0|1,0,1]=3 218 B5R0.5 CC(=O)C(=O)[O-] AMY25673 [0,1,0,0,0,0|1,0,1]=3 219 B5R0.5 CC(=O)C(=O)[O-] AMY25702 [0,1,0,0,0,0|1,0,1]=3 220 B5R0.5 CC(=O)C(C)C AMY11021 [0,1,0,0,0,0|1,0,1]=3 221 B5R0.5 CC(=O)C(F)F AMY6800 [0,1,0,0,0,0|1,0,1]=3 222 B5R0.5 CC(=O)C(O)O AMY25827 [0,1,0,0,0,0|1,0,1]=3 223 B5R0.5 CC(=O)[C@H](C)F AMY5968 [0,1,0,0,0,0|1,0,1]=3 224 B5R0.5 CC(F)=C(F)F AMY37198 [0,1,0,0,0,0|2,0,1]=4 225 B5R0.5 CC(O)C(=O)[O-] AMY37027 [0,1,0,0,0,0|2,0,1]=4 226 B5R0.5 C[C@H](Br)C(=O)O AM81431 [0,1,0,0,0,0|2,0,1]=4 227 B5R0.5 C[C@H](Br)C(=O)O AM81432 [0,1,0,0,0,0|2,0,1]=4 228 B5R0.5 C[C@H](Br)C(=O)O AMY21881 [0,1,0,0,0,0|2,0,1]=4 229 B5R0.5 C[C@H](Br)C(N)=O AMY7273 [0,1,0,0,0,0|2,0,1]=4 230 B5R0.5 C[C@H](Cl)C(=O)Cl AMY40167 [0,1,0,0,0,0|2,0,1]=4 231 B5R0.5 C[C@H](Cl)C(=O)O AM81429 [0,1,0,0,0,0|2,0,1]=4 232 B5R0.5 C[C@H](Cl)C(=O)O AM81430 [0,1,0,0,0,0|2,0,1]=4 233 B5R0.5 C[C@H](Cl)C(=O)O AMY4045 [0,1,0,0,0,0|2,0,1]=4 234 B5R0.5 C[C@H](F)C(=O)O AMY5967 [0,1,0,0,0,0|2,0,1]=4 235 B5R0.5 C[C@H](N)C(=O)O AM20090411 [0,1,0,0,0,0|1,0,2]=4 236 B5R0.5 C[C@H](N)C(=O)O AM20090517 [0,1,0,0,0,0|1,0,2]=4 237 B5R0.5 C[C@H](N)C(=O)O AM20100374 [0,1,0,0,0,0|1,0,2]=4 238 B5R0.5 C[C@H](N)C(N)=O AM20090503 [0,1,0,0,0,0|1,0,2]=4 239 B5R0.5 C[C@H](N)C(N)=O AM81484 [0,1,0,0,0,0|1,0,2]=4 240 B5R0.5 C[C@H](O)C(=O)O AM87208 [0,1,0,0,0,0|2,0,1]=4 241 B5R0.5 C[C@H](O)C(=O)[O-] AMY22237 [0,1,0,0,0,0|2,0,1]=4 242 B5R0.5 NC(=O)C(N)=O AMY23583 [0,1,0,0,0,0|1,0,2]=4 243 B5R0.5 O=C(O)C(=O)O AMY514 [0,1,0,0,0,0|2,0,1]=4 244 B5R0.5 O=C(O)C(=O)O AMY6125 [0,1,0,0,0,0|2,0,1]=4 245 B5R0.5 O=C(O)C(F)F AM20100014 [0,1,0,0,0,0|2,0,1]=4 246 B5R0.5 O=C([O-])C(Cl)Cl AMY37987 [0,1,0,0,0,0|2,0,1]=4 247 B5R0.5 O=C([O-])C(Cl)Cl AMY37994 [0,1,0,0,0,0|2,0,1]=4 248 B5R0.5 O=C([O-])[C@@H](F)Cl AMY7116 [0,1,0,0,0,0|2,0,1]=4 249 B5R1.2 O=C1CCC1 AM20070575 [0,0,0,1,0,0|1,0,1]=3 250 B5R1.2 O=C1CCN1 AMY18291 [0,0,0,1,0,0|2,0,0]=3 251 B5R1.2 O=C1CCO1 AM20020040 [0,0,0,1,0,0|2,0,0]=3 252 B5R1.2 O=C1CNC1 AM20090048 [0,0,0,1,0,0|0,0,2]=3 253 B5R1.2 O=C1CNC1 AM20100329 [0,0,0,1,0,0|0,0,2]=3 254 B5R1.2 O=C1COC1 AM20020042 [0,0,0,1,0,0|1,0,1]=3 255 B5R1.2 O=C1CSC1 AM20090216 [0,0,0,1,0,0|1,0,1]=3 256 B5R1.3 C#CC1CC1 AM20100625 [0,0,0,1,0,0|2,0,1]=4 257 B5R1.3 N#CC1CC1 AMY3403 [0,0,0,1,0,0|1,0,1]=3 258 B2R0.1 C#C[Mg+] AMY19960 [2,0,0,0,0,0|1,0,1]=4 259 B2R0.1 C#C[Mg+] AMY19961 [2,0,0,0,0,0|1,0,1]=4 260 B2R0.1 C=C[CH2-] AMY41856 [2,0,0,0,0,0|0,0,2]=4 261 B2R0.1 C=C[Mg+] AMY14834 [2,0,0,0,0,0|1,0,1]=4 262 B2R0.1 C=C[Mg+] AMY19835 [2,0,0,0,0,0|1,0,1]=4 263 B2R0.1 CCC AMY22280 [2,0,0,0,0,0|0,0,2]=4 264 B2R0.1 CCI AMY39500 [2,0,0,0,0,0|1,0,1]=4 265 B2R0.1 CC[O-] AMY14850 [2,0,0,0,0,0|0,0,2]=4 266 B2R0.1 CNC AM90364 [2,0,0,0,0,0|1,0,1]=4 267 B2R0.1 CNC AMY14900 [2,0,0,0,0,0|1,0,1]=4 268 B2R0.1 CNO AMY23438 [2,0,0,0,0,0|1,0,1]=4 269 B2R0.1 CON AM90382 [2,0,0,0,0,0|1,0,1]=4 270 B2R0.1 CSC AMY11755 [2,0,0,0,0,0|1,0,1]=4 271 B2R0.1 CSC AMY14803 [2,0,0,0,0,0|1,0,1]=4 272 B2R0.1 N#CN AMY6233 [2,0,0,0,0,0|1,0,0]=3 273 B2R0.1 N=CN AMY2665 [2,0,0,0,0,0|1,0,1]=4 274 B2R0.1 NC=O AMY3583 [2,0,0,0,0,0|0,0,1]=3 275 B2R0.1 NC=S AMY33487 [2,0,0,0,0,0|0,1,1]=4 276 B2R0.1 O=CO AMY11055 [2,0,0,0,0,0|1,0,0]=3 277 B2R0.1 O=P[O-] AMY21929 [2,0,0,0,0,0|2,0,0]=4 278 B2R0.1 O=[AlH3][O-] AMY534 [2,0,0,0,0,0|2,0,0]=4 279 B2R0.1 O=[Se]=O AMY10040 [2,0,0,0,0,0|2,0,0]=4 280 B2R0.1 O=[Si]=O AMY37125 [2,0,0,0,0,0|1,1,0]=4 281 B2R0.1 [BH3-]C#N AMY31069 [2,0,0,0,0,0|1,0,0]=3 282 B4R0.2 C#CCCBr AMY1272 [1,1,0,0,0,0|1,0,1]=4 283 B4R0.2 C#CCOC AMY1246 [1,1,0,0,0,0|1,0,1]=4 284 B4R0.2 C#COCC AMY33551 [1,1,0,0,0,0|1,0,1]=4 285 B4R0.2 C=NCC#N AMY24166 [1,1,0,0,0,0|0,0,2]=4 286 B4R0.2 CC#CCBr AMY1227 [1,1,0,0,0,0|1,0,1]=4 287 B4R0.2 CC#CCO AMY19259 [1,1,0,0,0,0|1,0,1]=4 288 B4R0.2 CC\C=C\Br AMY796 [1,1,0,0,0,0|1,0,1]=4 289 B4R0.2 CNCC#N AM20090317 [1,1,0,0,0,0|0,0,1]=3 290 B4R0.2 C\C=C\CCl AMY618 [1,1,0,0,0,0|1,0,1]=4 291 B4R0.2 C\C=C\CO AMY21936 [1,1,0,0,0,0|1,0,1]=4 292 B4R0.2 N#CCC#N AMY40191 [1,1,0,0,0,0|0,0,2]=4 293 B4R0.2 N#CCCCl AMY21819 [1,1,0,0,0,0|0,0,1]=3 294 B4R0.3 CP(=O)(Cl)Cl AMY21900 [1,1,0,0,0,0|2,0,0]=4 295 B4R0.3 CP(=O)(O)O AM20120404 [1,1,0,0,0,0|2,0,0]=4 296 B4R0.3 CS(=O)(=O)O AMY32450 [1,1,0,0,0,0|2,0,0]=4 297 B4R0.3 CS(=O)(=O)[O-] AMY11772 [1,1,0,0,0,0|2,0,0]=4 298 B4R0.3 CS(C)(=N)=O AMY3326 [1,1,0,0,0,0|1,0,1]=4 299 B4R0.3 CS(C)(=O)=O AMY25756 [1,1,0,0,0,0|1,0,1]=4 300 B4R0.3 C[S+](C)(C)=O AMY22243 [1,1,0,0,0,0|1,0,1]=4 301 B4R0.3 C[S+](C)(C)=O AMY24038 [1,1,0,0,0,0|1,0,1]=4 302 B6R0.1 C#CC(=O)OCC AM20100525 [0,2,0,0,0,0|1,0,0]=3 303 B6R0.1 C=CC(=O)NCC AMY36703 [0,2,0,0,0,0|1,0,1]=4 304 B6R0.1 C=CC(=O)OCC AMY40211 [0,2,0,0,0,0|1,0,1]=4 305 B6R0.1 CC#CC(=O)OC AMY1234 [0,2,0,0,0,0|1,0,0]=3 306 B6R0.1 CCC(=O)CC#N AMY10591 [0,2,0,0,0,0|0,0,0]=2 307 B6R0.1 CCNC(=O)CCl AM802871 [0,2,0,0,0,0|1,0,1]=4 308 B6R0.1 CCNC(=O)NC AM85700 [0,2,0,0,0,0|1,0,1]=4 309 B6R0.1 CCOC(=O)CBr AM20070701 [0,2,0,0,0,0|1,0,1]=4 310 B6R0.1 CCOC(=O)CC AMY21941 [0,2,0,0,0,0|1,0,1]=4 311 B6R0.1 CCOC(=O)CN AM81786 [0,2,0,0,0,0|0,0,2]=4 312 B6R0.1 CCOC(=O)NC AMY3767 [0,2,0,0,0,0|1,0,1]=4 313 B6R0.1 CCOC(=O)NN AMY23328 [0,2,0,0,0,0|1,0,1]=4 314 B6R0.1 CC\C=C(/C)C=O AMY2564 [0,2,0,0,0,0|1,0,1]=4 315 B6R0.1 CNC(=O)CC#N AM20100565 [0,2,0,0,0,0|0,0,0]=2 316 B6R0.1 CNCC(=O)OC AM82645 [0,2,0,0,0,0|0,0,2]=4 317 B6R0.1 COC(=O)CCBr AMY21872 [0,2,0,0,0,0|1,0,1]=4 318 B6R0.1 COC(=O)CCN AM20090461 [0,2,0,0,0,0|0,0,2]=4 319 B6R0.1 COC(=O)CCO AM85845 [0,2,0,0,0,0|1,0,1]=4 320 B6R0.1 COC(=O)CSC AMY10908 [0,2,0,0,0,0|1,0,1]=4 321 B6R0.1 COC(=O)OCCl AMY37648 [0,2,0,0,0,0|1,0,1]=4 322 B6R0.1 COC(=O)\C=C\I AMY21721 [0,2,0,0,0,0|1,0,1]=4 323 B6R0.1 COCC(=O)NN AMY3068 [0,2,0,0,0,0|1,0,1]=4 324 B6R0.1 COCC(=O)OC AMY4063 [0,2,0,0,0,0|1,0,1]=4 325 B6R0.1 C\C=C\C(=O)OC AMY15442 [0,2,0,0,0,0|1,0,1]=4 326 B6R0.1 N#CCC(=O)NN AMY5330 [0,2,0,0,0,0|1,0,0]=3 327 B6R0.1 N#CC[C@H](O)CCl AM81472 [0,2,0,0,0,0|0,0,2]=4 328 B6R0.1 N#CC[C@H](O)CCl AM81473 [0,2,0,0,0,0|0,0,2]=4 329 B6R0.1 O=C(CCl)CCCl AM9592 [0,2,0,0,0,0|1,0,1]=4 330 B6R0.2 CC(=O)C=C(C)C AMY23356 [0,2,0,0,0,0|1,0,1]=4 331 B6R0.2 CC(=O)CC(C)C AMY11098 [0,2,0,0,0,0|1,0,1]=4 332 B6R0.2 CC(=O)NC(C)C AMY3785 [0,2,0,0,0,0|1,0,1]=4 333 B6R0.2 CC(=O)\C=C(\C)N AMY24718 [0,2,0,0,0,0|0,0,2]=4 334 B6R0.2 CC(=O)\C=C(\C)[O-] AMY11696 [0,2,0,0,0,0|1,0,1]=4 335 B6R0.2 CC(=O)\C=C(\C)[O-] AMY19683 [0,2,0,0,0,0|1,0,1]=4 336 B6R0.2 CC(=O)\C=C(\C)[O-] AMY41912 [0,2,0,0,0,0|1,0,1]=4 337 B6R0.3 C=C(F)C(=O)OC AM20120633 [0,2,0,0,0,0|1,0,1]=4 338 B6R0.3 C=CC(=O)N(C)C AM84856 [0,2,0,0,0,0|1,0,1]=4 339 B6R0.3 C=CN(C)C(C)=O AMY3934 [0,2,0,0,0,0|1,0,1]=4 340 B6R0.3 CC(=O)C(=O)CBr AMY23002 [0,2,0,0,0,0|1,0,1]=4 341 B6R0.3 CC(=O)C(=O)CCl AMY42031 [0,2,0,0,0,0|1,0,1]=4 342 B6R0.3 CC(=O)[C@@H](C)C=O AMY6397 [0,2,0,0,0,0|1,0,1]=4 343 B6R0.3 CC(C)C(=O)NN AMY3958 [0,2,0,0,0,0|1,0,1]=4 344 B6R0.3 CC(C)[C@H](N)C#N AMY32625 [0,2,0,0,0,0|1,0,1]=4 345 B6R0.3 CCC(=O)C(=O)O AM90224 [0,2,0,0,0,0|1,0,1]=4 346 B6R0.3 CCC(=O)C(=O)[O-] AMY7718 [0,2,0,0,0,0|1,0,1]=4 347 B6R0.3 CCC(=O)C(C)=O AMY4046 [0,2,0,0,0,0|1,0,1]=4 348 B6R0.3 CCC(=O)N(C)C AMY38676 [0,2,0,0,0,0|1,0,1]=4 349 B6R0.3 CCC(=O)[C@H](C)Br AMY6079 [0,2,0,0,0,0|1,0,1]=4 350 B6R0.3 CCN(O)C(C)=O AMY33549 [0,2,0,0,0,0|1,0,1]=4 351 B6R0.3 CN(C)C(=O)CCl AM84854 [0,2,0,0,0,0|1,0,1]=4 352 B6R0.3 CN(C)C(=O)CI AM805909 [0,2,0,0,0,0|1,0,1]=4 353 B6R0.3 CN(C)C(=O)CN AM20100689 [0,2,0,0,0,0|0,0,2]=4 354 B6R0.3 CN(C)C(=O)CN AMY4281 [0,2,0,0,0,0|0,0,2]=4 355 B6R0.3 COC(=O)C(=N)N AM804117 [0,2,0,0,0,0|0,0,2]=4 356 B6R0.3 COC(=O)C(C)=O AMY40825 [0,2,0,0,0,0|1,0,1]=4 357 B6R0.3 COC(=O)C(F)F AMY3631 [0,2,0,0,0,0|1,0,1]=4 358 B6R0.3 COC(=O)[C@H](C)Br AMY21873 [0,2,0,0,0,0|1,0,1]=4 359 B6R0.3 COC(=O)[C@H](C)Cl AM81434 [0,2,0,0,0,0|1,0,1]=4 360 B6R0.3 COC(=O)[C@H](C)Cl AM81435 [0,2,0,0,0,0|1,0,1]=4 361 B6R0.3 COC(=O)[C@H](C)Cl AMY3875 [0,2,0,0,0,0|1,0,1]=4 362 B6R0.3 COC(=O)[C@H](C)N AM20080254 [0,2,0,0,0,0|0,0,2]=4 363 B6R0.3 COC(=O)[C@H](C)N AM20090283 [0,2,0,0,0,0|0,0,2]=4 364 B6R0.3 COC(=O)[C@H](C)N AM81485 [0,2,0,0,0,0|0,0,2]=4 365 B6R0.3 CON(C)C(C)=O AM1188 [0,2,0,0,0,0|2,0,0]=4 366 B6R0.3 C[C@H](C#N)C(=O)O AMY19783 [0,2,0,0,0,0|0,0,1]=3 367 B6R0.3 C\C=C(/C)C(C)=O AMY4030 [0,2,0,0,0,0|1,0,1]=4 368 B6R0.3 C\C=C(\C)C(=O)O AMY19230 [0,2,0,0,0,0|1,0,1]=4 369 B6R0.3 N#C[C@@H](N)C(N)=O AMY203 [0,2,0,0,0,0|1,0,0]=3 370 B6R0.3 NNC(=O)C(F)F AMY7118 [0,2,0,0,0,0|1,0,1]=4 371 B6R0.3 O=C(O)C(=O)CBr AM84337 [0,2,0,0,0,0|1,0,1]=4 372 B6R0.4 C#CCOC(=O)Cl AMY3955 [0,2,0,0,0,0|2,0,0]=4 373 B6R0.4 C#CCOC(C)=O AM90264 [0,2,0,0,0,0|1,0,0]=3 374 B6R0.4 C=CCCC(C)=O AM84335 [0,2,0,0,0,0|1,0,1]=4 375 B6R0.4 C=CCOC(C)=O AMY22115 [0,2,0,0,0,0|1,0,1]=4 376 B6R0.4 CC(=O)NCCN AMY40665 [0,2,0,0,0,0|0,0,2]=4 377 B6R0.7 CC(=O)C(C)(C)N AM806454 [0,2,0,0,0,0|0,0,2]=4 378 B6R0.7 CC(=O)C(C)(C)O AM84347 [0,2,0,0,0,0|1,0,1]=4 379 B6R0.7 CC(=O)C(F)(F)F AMY3622 [0,2,0,0,0,0|1,0,1]=4 380 B6R1.2 O=C1C=CCC1 AM61702 [0,1,0,1,0,0|1,0,1]=4 381 B6R1.2 O=C1C=CCO1 AM20100212 [0,1,0,1,0,0|1,0,1]=4 382 B6R1.2 O=C1CC=NN1 AMY11924 [0,1,0,1,0,0|1,0,1]=4 383 B6R1.2 O=C1CCCC1 AMY37126 [0,1,0,1,0,0|1,0,1]=4 384 B6R1.2 O=C1CCCN1 AMY25506 [0,1,0,1,0,0|1,0,1]=4 385 B6R1.2 O=C1CCNC1 AM20120384 [0,1,0,1,0,0|0,0,2]=4 386 B6R1.2 O=C1CCNC1 AMY6183 [0,1,0,1,0,0|0,0,2]=4 387 B6R1.2 O=C1CCNN1 AMY39277 [0,1,0,1,0,0|1,0,1]=4 388 B6R1.2 O=C1CCOC1 AM20090235 [0,1,0,1,0,0|1,0,1]=4 389 B6R1.2 O=C1CCSC1 AMY23378 [0,1,0,1,0,0|1,0,1]=4 390 B6R1.2 O=C1CNCN1 AM84594 [0,1,0,1,0,0|0,0,2]=4 391 B6R1.2 O=C1NCCN1 AM20080146 [0,1,0,1,0,0|2,0,0]=4 392 B6R1.2 O=C1NCCO1 AMY39498 [0,1,0,1,0,0|2,0,0]=4 393 B6R1.3 N#CCC1CC1 AM20100595 [0,1,0,1,0,0|1,0,1]=4 394 B6R1.5 CC1CC(=O)C1 AM806996 [0,1,0,1,0,0|1,0,1]=4 395 B6R1.5 NC1CC(=O)C1 AM20070559 [0,1,0,1,0,0|0,0,2]=4 396 B6R1.5 O=C1CC(O)C1 AMY33736 [0,1,0,1,0,0|1,0,1]=4 397 B6R1.11 CC(=O)C1CC1 AM83286 [0,1,0,1,0,0|1,0,1]=4 398 B6R1.6 N#CC1CCC1 AM20070614 [0,1,0,1,0,0|1,0,1]=4 399 B6R1.6 N#CC1CNC1 AM20090541 [0,1,0,1,0,0|1,0,1]=4 400 B6R1.6 N#C[C@H]1CCN1 AMY35836 [0,1,0,1,0,0|1,0,1]=4 401 B6R1.7 N#CC1(Br)CC1 AMY18834 [0,1,0,1,0,0|1,0,1]=4 402 B6R1.7 N#CC1(N)CC1 AM20080205 [0,1,0,1,0,0|1,0,1]=4