0 B4R0.1 C#CC(=O)O AMY7000 [0,0,0,0,0,0|2,0,1]=3 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|1,0,3]=4 3 B4R0.1 C#C[C@H](C)Br AMY12092 [0,0,0,0,0,0|2,0,2]=4 4 B4R0.1 C#C[C@H](C)N AM806670 [0,0,0,0,0,0|2,0,2]=4 5 B4R0.1 C#C[C@H](C)O AMY34392 [0,0,0,0,0,0|1,0,3]=4 6 B4R0.1 C=C(Br)C=O AMY19362 [0,0,0,0,0,0|1,0,1]=2 7 B4R0.1 C=C(C)C=O AMY28760 [0,0,0,0,0,0|1,0,0]=1 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|2,0,1]=3 10 B4R0.1 C=C(Cl)C#N AMY25815 [0,0,0,0,0,0|2,0,2]=4 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|2,0,0]=2 14 B4R0.1 C=CC(=O)Cl AMY18873 [0,0,0,0,0,0|2,0,0]=2 15 B4R0.1 C=CC(=O)[O-] AMY3817 [0,0,0,0,0,0|2,0,0]=2 16 B4R0.1 C=C[C@H](C)Cl AMY617 [0,0,0,0,0,0|2,0,1]=3 17 B4R0.1 C=C[C@H](C)O AMY1257 [0,0,0,0,0,0|1,0,2]=3 18 B4R0.1 C=C[N+](=O)[O-] AMY36706 [0,0,0,0,0,0|3,0,0]=3 19 B4R0.1 CC(=N)NO AMY18111 [0,0,0,0,0,0|2,0,1]=3 20 B4R0.1 CC(=O)C#N AMY39183 [0,0,0,0,0,0|1,0,1]=2 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|1,0,1]=2 23 B4R0.1 CC(=O)CN AMY25062 [0,0,0,0,0,0|1,0,1]=2 24 B4R0.1 CC(=O)NN AM20080014 [0,0,0,0,0,0|2,0,0]=2 25 B4R0.1 CC(=O)NO AM20100343 [0,0,0,0,0,0|1,0,1]=2 26 B4R0.1 CC(C)=CBr AM85707 [0,0,0,0,0,0|2,0,0]=2 27 B4R0.1 CC(C)=NN AM9761 [0,0,0,0,0,0|3,0,0]=3 28 B4R0.1 CC(C)=NO AM90369 [0,0,0,0,0,0|2,0,1]=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|3,0,1]=4 31 B4R0.1 CC(C)NN AMY202003297 [0,0,0,0,0,0|3,0,1]=4 32 B4R0.1 CC(C)ON AM90376 [0,0,0,0,0,0|3,0,1]=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|2,1,0]=3 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|1,0,3]=4 55 B4R0.1 C[C@@H](N)CN AMY3648 [0,0,0,0,0,0|2,0,2]=4 56 B4R0.1 C[C@H](Br)C#N AMY39192 [0,0,0,0,0,0|2,0,2]=4 57 B4R0.1 C[C@H](Cl)CO AMY21357 [0,0,0,0,0,0|1,0,3]=4 58 B4R0.1 C[C@H](N)C#N AM9634 [0,0,0,0,0,0|2,0,2]=4 59 B4R0.1 C[C@H](N)CN AMY3672 [0,0,0,0,0,0|2,0,2]=4 60 B4R0.1 C[C@H](N)CO AM20090557 [0,0,0,0,0,0|1,0,3]=4 61 B4R0.1 C[C@H](N)CO AM20100507 [0,0,0,0,0,0|1,0,3]=4 62 B4R0.1 C[C@H](O)CN AM20090353 [0,0,0,0,0,0|1,0,3]=4 63 B4R0.1 C[C@H](O)CN AM20100779 [0,0,0,0,0,0|1,0,3]=4 64 B4R0.1 C[C@H](O)CN AM81450 [0,0,0,0,0,0|1,0,3]=4 65 B4R0.1 N=C(N)NN AMY40484 [0,0,0,0,0,0|4,0,0]=4 66 B4R0.1 N=C(N)NN AMY873 [0,0,0,0,0,0|4,0,0]=4 67 B4R0.1 N=C(N)NO AMY31983 [0,0,0,0,0,0|3,0,1]=4 68 B4R0.1 NC(=O)CBr AM85872 [0,0,0,0,0,0|2,0,1]=3 69 B4R0.1 NC(=O)CCl AMY4113 [0,0,0,0,0,0|2,0,1]=3 70 B4R0.1 NC(=O)NO AMY40858 [0,0,0,0,0,0|2,0,1]=3 71 B4R0.1 NCC(=O)O AM81781 [0,0,0,0,0,0|2,0,1]=3 72 B4R0.1 NCC(=O)[O-] AMY37022 [0,0,0,0,0,0|2,0,1]=3 73 B4R0.1 NCC(N)=O AM20080473 [0,0,0,0,0,0|2,0,1]=3 74 B4R0.1 NCC(N)=O AMY20517 [0,0,0,0,0,0|2,0,1]=3 75 B4R0.1 NCC(N)=O AMY22705 [0,0,0,0,0,0|2,0,1]=3 76 B4R0.1 NNC(N)=S AM20100785 [0,0,0,0,0,0|3,1,0]=4 77 B4R0.1 O=C(Br)CBr AMY21867 [0,0,0,0,0,0|2,0,1]=3 78 B4R0.1 O=C(Cl)CBr AMY13645 [0,0,0,0,0,0|2,0,1]=3 79 B4R0.1 O=C(Cl)CCl AMY40193 [0,0,0,0,0,0|2,0,1]=3 80 B4R0.1 O=C([O-])CS AMY25320 [0,0,0,0,0,0|1,1,1]=3 81 B4R0.1 O=CC(=O)O AMY40947 [0,0,0,0,0,0|1,0,0]=1 82 B4R0.1 O=[N+]([O-])CBr AMY33516 [0,0,0,0,0,0|3,0,1]=4 83 B4R0.1 ON=C(Br)Br AMY16047 [0,0,0,0,0,0|3,0,1]=4 84 B4R0.1 [Li]CC(C)C AMY14929 [0,0,0,0,0,0|2,0,2]=4 85 B4R0.1 [Li][C@@H](C)CC AMY14890 [0,0,0,0,0,0|2,0,2]=4 86 B3R0.1 C=CCN AMY22118 [1,0,0,0,0,0|1,0,2]=4 87 B3R0.1 CC#C[Mg+] AMY1254 [1,0,0,0,0,0|1,0,2]=4 88 B3R0.1 CCCO AMY11110 [1,0,0,0,0,0|0,0,3]=4 89 B3R0.1 CCNN AM10026 [1,0,0,0,0,0|2,0,1]=4 90 B3R0.1 CCNN AMY202003286 [1,0,0,0,0,0|2,0,1]=4 91 B3R0.1 CCON AM90373 [1,0,0,0,0,0|2,0,1]=4 92 B3R0.1 CN=C=S AMY11073 [1,0,0,0,0,0|1,1,1]=4 93 B3R0.1 CNOC AM20100609 [1,0,0,0,0,0|3,0,0]=4 94 B3R0.1 CSSC AMY39506 [1,0,0,0,0,0|3,0,0]=4 95 B3R0.1 C[Se][Se]C AMY31938 [1,0,0,0,0,0|3,0,0]=4 96 B3R0.1 C\C=C\Br AMY19968 [1,0,0,0,0,0|1,0,0]=2 97 B3R0.1 NNC=O AM9981 [1,0,0,0,0,0|2,0,0]=3 98 B3R0.2 C=C(C)Br AMY955 [1,0,0,0,0,0|1,0,0]=2 99 B3R0.2 C=C(C)[Mg+] AMY1042 [1,0,0,0,0,0|1,0,0]=2 100 B3R0.2 C=C(F)Cl AMY6847 [1,0,0,0,0,0|2,0,0]=3 101 B3R0.2 CC(=O)Br AMY21856 [1,0,0,0,0,0|1,0,0]=2 102 B3R0.2 CC(=O)O AMY21906 [1,0,0,0,0,0|0,0,1]=2 103 B3R0.2 CC(=O)O AMY41276 [1,0,0,0,0,0|0,0,1]=2 104 B3R0.2 CC(=O)[O-] AMY11747 [1,0,0,0,0,0|0,0,1]=2 105 B3R0.2 CC(=O)[O-] AMY1789 [1,0,0,0,0,0|0,0,1]=2 106 B3R0.2 CC(=O)[O-] AMY22485 [1,0,0,0,0,0|0,0,1]=2 107 B3R0.2 CC(=O)[O-] AMY22494 [1,0,0,0,0,0|0,0,1]=2 108 B3R0.2 CC(=O)[O-] AMY23396 [1,0,0,0,0,0|0,0,1]=2 109 B3R0.2 CC(=O)[O-] AMY23411 [1,0,0,0,0,0|0,0,1]=2 110 B3R0.2 CC(=O)[O-] AMY37172 [1,0,0,0,0,0|0,0,1]=2 111 B3R0.2 CC(=O)[O-] AMY9236 [1,0,0,0,0,0|0,0,1]=2 112 B3R0.2 CC(C)Br AMY37129 [1,0,0,0,0,0|1,0,2]=4 113 B3R0.2 CC(C)O AMY11029 [1,0,0,0,0,0|0,0,3]=4 114 B3R0.2 CC(C)[Mg+] AMY40195 [1,0,0,0,0,0|1,0,2]=4 115 B3R0.2 CC(C)[O-] AMY38606 [1,0,0,0,0,0|0,0,3]=4 116 B3R0.2 CC(C)[O-] AMY40472 [1,0,0,0,0,0|0,0,3]=4 117 B3R0.2 CP(C)C AMY19776 [1,0,0,0,0,0|2,0,1]=4 118 B3R0.2 CS(C)=O AMY14894 [1,0,0,0,0,0|1,0,1]=3 119 B3R0.2 C[PH](C)=O AM90266 [1,0,0,0,0,0|1,0,1]=3 120 B3R0.2 C[S+](C)C AMY12539 [1,0,0,0,0,0|2,0,1]=4 121 B3R0.2 C[S+](C)C AMY9344 [1,0,0,0,0,0|2,0,1]=4 122 B3R0.2 C[SiH](C)C AMY21899 [1,0,0,0,0,0|1,1,1]=4 123 B3R0.2 N=C(N)N AMY21875 [1,0,0,0,0,0|3,0,0]=4 124 B3R0.2 NC(=S)S AMY40763 [1,0,0,0,0,0|1,2,0]=4 125 B3R0.2 NC(N)=O AMY37159 [1,0,0,0,0,0|2,0,0]=3 126 B3R0.2 NC(N)=S AMY40190 [1,0,0,0,0,0|2,1,0]=4 127 B3R0.2 N[13C](N)=O AMY37002 [1,0,0,0,0,0|2,0,0]=3 128 B3R0.2 O=C([O-])O AMY40219 [1,0,0,0,0,0|1,0,1]=3 129 B3R0.2 O=C([O-])[O-] AMY31070 [1,0,0,0,0,0|1,0,1]=3 130 B3R0.2 O=[N+]([O-])[O-] AMY22245 [1,0,0,0,0,0|2,0,1]=4 131 B3R0.2 O=[N+]([O-])[O-] AMY22270 [1,0,0,0,0,0|2,0,1]=4 132 B3R0.2 O=[N+]([O-])[O-] AMY22502 [1,0,0,0,0,0|2,0,1]=4 133 B3R0.2 O=[Si]([O-])[O-] AMY37025 [1,0,0,0,0,0|1,1,1]=4 134 B5R0.1 C#CCC(=O)O AMY19285 [0,1,0,0,0,0|2,0,1]=4 135 B5R0.1 C=C(C)CCBr AMY7022 [0,1,0,0,0,0|2,0,1]=4 136 B5R0.1 C=CCC(C)=O AMY31929 [0,1,0,0,0,0|1,0,0]=2 137 B5R0.1 C=CC[C@H](C)N AM9152 [0,1,0,0,0,0|2,0,1]=4 138 B5R0.1 C=CC[C@H](C)O AM804193 [0,1,0,0,0,0|1,0,2]=4 139 B5R0.1 CC#CC(=O)Cl AMY41204 [0,1,0,0,0,0|2,0,1]=4 140 B5R0.1 CC#CC(=O)O AM90222 [0,1,0,0,0,0|2,0,1]=4 141 B5R0.1 CC(=O)CC#N AM86800 [0,1,0,0,0,0|1,0,1]=3 142 B5R0.1 CC(=O)CC#N AMY7035 [0,1,0,0,0,0|1,0,1]=3 143 B5R0.1 CC(=O)CCO AMY31061 [0,1,0,0,0,0|0,0,2]=3 144 B5R0.1 CC(=O)OCCl AMY28690 [0,1,0,0,0,0|1,0,1]=3 145 B5R0.1 CC(=O)\C=N\O AM806560 [0,1,0,0,0,0|0,0,1]=2 146 B5R0.1 CC(C)=CC=O AMY42093 [0,1,0,0,0,0|1,0,0]=2 147 B5R0.1 CC(C)=CCBr AMY21882 [0,1,0,0,0,0|2,0,0]=3 148 B5R0.1 CC(C)\C=N\O AMY37290 [0,1,0,0,0,0|1,0,2]=4 149 B5R0.1 CCCC(C)=O AMY25524 [0,1,0,0,0,0|1,0,1]=3 150 B5R0.1 CCOC(C)=N AM90190 [0,1,0,0,0,0|2,0,1]=4 151 B5R0.1 CCOC(N)=O AM20100253 [0,1,0,0,0,0|2,0,1]=4 152 B5R0.1 CCSC(C)=S AM90236 [0,1,0,0,0,0|1,1,1]=4 153 B5R0.1 CNCC(=O)O AM20080021 [0,1,0,0,0,0|2,0,1]=4 154 B5R0.1 CNCC(C)=O AM806508 [0,1,0,0,0,0|1,0,1]=3 155 B5R0.1 CNCC(N)=O AM82642 [0,1,0,0,0,0|2,0,1]=4 156 B5R0.1 COCC(=O)Cl AMY40728 [0,1,0,0,0,0|1,0,2]=4 157 B5R0.1 COCC(=O)O AMY4059 [0,1,0,0,0,0|1,0,2]=4 158 B5R0.1 CSCC(N)=O AMY10906 [0,1,0,0,0,0|1,1,1]=4 159 B5R0.1 C\C(Br)=C/CO AMY11209 [0,1,0,0,0,0|1,0,1]=3 160 B5R0.1 C\C=C\C(=O)O AMY11255 [0,1,0,0,0,0|2,0,0]=3 161 B5R0.1 C\C=C\C(C)=O AMY31928 [0,1,0,0,0,0|1,0,0]=2 162 B5R0.1 C\C=C\[N+](=O)[O-] AMY23936 [0,1,0,0,0,0|3,0,0]=4 163 B5R0.1 N#CCC(N)=O AM20080019 [0,1,0,0,0,0|2,0,1]=4 164 B5R0.1 N#CNC(N)=O AMY397 [0,1,0,0,0,0|2,0,1]=4 165 B5R0.1 NCCC(=O)O AM20080020 [0,1,0,0,0,0|2,0,1]=4 166 B5R0.1 NCCC(=O)O AMY22128 [0,1,0,0,0,0|2,0,1]=4 167 B5R0.1 NCCC(N)=O AM20100576 [0,1,0,0,0,0|2,0,1]=4 168 B5R0.1 NCCC(N)=O AMY6958 [0,1,0,0,0,0|2,0,1]=4 169 B5R0.1 NNCC(=O)O AMY202100023 [0,1,0,0,0,0|2,0,1]=4 170 B5R0.1 NOCC(=O)O AMY19484 [0,1,0,0,0,0|1,0,2]=4 171 B5R0.1 O=C(Cl)CCBr AM90184 [0,1,0,0,0,0|2,0,1]=4 172 B5R0.1 O=C(O)CCBr AM20100434 [0,1,0,0,0,0|2,0,1]=4 173 B5R0.1 O=C(O)CCF AM803932 [0,1,0,0,0,0|2,0,1]=4 174 B5R0.1 O=C(O)CCO AM85796 [0,1,0,0,0,0|1,0,2]=4 175 B5R0.1 O=C(O)CCS AMY27767 [0,1,0,0,0,0|1,1,1]=4 176 B5R0.1 O=C(O)\C=C/I AMY22685 [0,1,0,0,0,0|2,0,0]=3 177 B5R0.1 O=C(O)\C=C\I AM806037 [0,1,0,0,0,0|2,0,0]=3 178 B5R0.3 C#CC(=O)OC AMY7053 [0,1,0,0,0,0|1,0,1]=3 179 B5R0.3 C=C(CCl)CCl AM80980 [0,1,0,0,0,0|2,0,1]=4 180 B5R0.3 C=C(CO)CO AM20090550 [0,1,0,0,0,0|1,0,2]=4 181 B5R0.3 C=CC(=O)CBr AMY31126 [0,1,0,0,0,0|1,0,0]=2 182 B5R0.3 C=C[C@@H](O)CC AMY851 [0,1,0,0,0,0|1,0,2]=4 183 B5R0.3 C=C[C@H](N)CO AMY14650 [0,1,0,0,0,0|2,0,1]=4 184 B5R0.3 CCC(=O)CC AMY11060 [0,1,0,0,0,0|1,0,1]=3 185 B5R0.3 CCC(=O)OC AMY21940 [0,1,0,0,0,0|1,0,1]=3 186 B5R0.3 CC\C(C)=N\O AM90385 [0,1,0,0,0,0|1,0,2]=4 187 B5R0.3 CN(C=O)C=O AMY39203 [0,1,0,0,0,0|1,0,0]=2 188 B5R0.3 CNC(=O)NN AMY42564 [0,1,0,0,0,0|2,0,0]=3 189 B5R0.3 COC(=O)C=O AMY1633 [0,1,0,0,0,0|0,0,0]=1 190 B5R0.3 COC(=O)CF AM20100155 [0,1,0,0,0,0|1,0,1]=3 191 B5R0.3 COC(=O)CN AM81785 [0,1,0,0,0,0|1,0,1]=3 192 B5R0.3 COC(=O)OC AMY37165 [0,1,0,0,0,0|2,0,0]=3 193 B5R0.3 COS(=O)OC AMY18046 [0,1,0,0,0,0|3,0,0]=4 194 B5R0.3 NNC(=O)CCl AMY39922 [0,1,0,0,0,0|2,0,0]=3 195 B5R0.3 NNC(=O)CO AM803763 [0,1,0,0,0,0|2,0,0]=3 196 B5R0.3 NNC(=O)NN AMY40845 [0,1,0,0,0,0|3,0,0]=4 197 B5R0.3 O=C(CBr)CBr AM85919 [0,1,0,0,0,0|1,0,1]=3 198 B5R0.3 O=C(CO)CBr AMY19754 [0,1,0,0,0,0|0,0,2]=3 199 B5R0.3 O=CC(Br)C=O AM20090162 [0,1,0,0,0,0|1,0,1]=3 200 B5R0.4 C=CC(C)(C)O AMY3791 [0,1,0,0,0,0|1,0,2]=4 201 B5R0.4 C=CS(=O)(=O)Cl AMY31444 [0,1,0,0,0,0|3,0,0]=4 202 B5R0.4 C=CS(=O)(=O)[O-] AMY22517 [0,1,0,0,0,0|3,0,0]=4 203 B5R0.4 C=C[Si](C)(C)C AMY1250 [0,1,0,0,0,0|2,1,0]=4 204 B5R0.4 CC(C)(C)C=O AMY14201 [0,1,0,0,0,0|1,0,1]=3 205 B5R0.4 CNS(C)(=O)=O AMY40669 [0,1,0,0,0,0|3,0,0]=4 206 B5R0.4 CP(C)(=O)CCl AM10868 [0,1,0,0,0,0|2,0,1]=4 207 B5R0.4 CP(C)(=O)CO AM10876 [0,1,0,0,0,0|1,0,2]=4 208 B5R0.4 CS(=O)(=O)NN AM85458 [0,1,0,0,0,0|3,0,0]=4 209 B5R0.4 CSS(C)(=O)=O AM20080910 [0,1,0,0,0,0|3,0,0]=4 210 B5R0.4 O=CC(F)(F)F AMY7125 [0,1,0,0,0,0|2,0,1]=4 211 B5R0.5 C=C(C)C(=O)Cl AMY25816 [0,1,0,0,0,0|1,0,0]=2 212 B5R0.5 C=C(C)C(N)=O AMY13351 [0,1,0,0,0,0|1,0,0]=2 213 B5R0.5 C=C(F)C(=O)O AM84938 [0,1,0,0,0,0|1,0,1]=3 214 B5R0.5 CC(=O)C(=O)O AMY6082 [0,1,0,0,0,0|0,0,0]=1 215 B5R0.5 CC(=O)C(=O)[O-] AMY25534 [0,1,0,0,0,0|0,0,0]=1 216 B5R0.5 CC(=O)C(=O)[O-] AMY25673 [0,1,0,0,0,0|0,0,0]=1 217 B5R0.5 CC(=O)C(=O)[O-] AMY25702 [0,1,0,0,0,0|0,0,0]=1 218 B5R0.5 CC(=O)C(C)C AMY11021 [0,1,0,0,0,0|1,0,1]=3 219 B5R0.5 CC(=O)C(F)F AMY6800 [0,1,0,0,0,0|1,0,1]=3 220 B5R0.5 CC(=O)C(O)O AMY25827 [0,1,0,0,0,0|0,0,2]=3 221 B5R0.5 CC(=O)[C@H](C)F AMY5968 [0,1,0,0,0,0|1,0,1]=3 222 B5R0.5 CC(C)[N+](=O)[O-] AMY25784 [0,1,0,0,0,0|2,0,1]=4 223 B5R0.5 CC(F)=C(F)F AMY37198 [0,1,0,0,0,0|2,0,0]=3 224 B5R0.5 CC(O)C(=O)[O-] AMY37027 [0,1,0,0,0,0|0,0,2]=3 225 B5R0.5 CN(C)C(=N)N AM804111 [0,1,0,0,0,0|3,0,0]=4 226 B5R0.5 C[C@H](Br)C(=O)O AM81431 [0,1,0,0,0,0|1,0,1]=3 227 B5R0.5 C[C@H](Br)C(=O)O AM81432 [0,1,0,0,0,0|1,0,1]=3 228 B5R0.5 C[C@H](Br)C(=O)O AMY21881 [0,1,0,0,0,0|1,0,1]=3 229 B5R0.5 C[C@H](Br)C(N)=O AMY7273 [0,1,0,0,0,0|1,0,1]=3 230 B5R0.5 C[C@H](Cl)C(=O)Cl AMY40167 [0,1,0,0,0,0|1,0,1]=3 231 B5R0.5 C[C@H](Cl)C(=O)O AM81429 [0,1,0,0,0,0|1,0,1]=3 232 B5R0.5 C[C@H](Cl)C(=O)O AM81430 [0,1,0,0,0,0|1,0,1]=3 233 B5R0.5 C[C@H](Cl)C(=O)O AMY4045 [0,1,0,0,0,0|1,0,1]=3 234 B5R0.5 C[C@H](F)C(=O)O AMY5967 [0,1,0,0,0,0|1,0,1]=3 235 B5R0.5 C[C@H](N)C(=O)O AM20090411 [0,1,0,0,0,0|1,0,1]=3 236 B5R0.5 C[C@H](N)C(=O)O AM20090517 [0,1,0,0,0,0|1,0,1]=3 237 B5R0.5 C[C@H](N)C(=O)O AM20100374 [0,1,0,0,0,0|1,0,1]=3 238 B5R0.5 C[C@H](N)C(N)=O AM20090503 [0,1,0,0,0,0|1,0,1]=3 239 B5R0.5 C[C@H](N)C(N)=O AM81484 [0,1,0,0,0,0|1,0,1]=3 240 B5R0.5 C[C@H](O)C(=N)N AM806558 [0,1,0,0,0,0|1,0,2]=4 241 B5R0.5 C[C@H](O)C(=O)O AM87208 [0,1,0,0,0,0|0,0,2]=3 242 B5R0.5 C[C@H](O)C(=O)[O-] AMY22237 [0,1,0,0,0,0|0,0,2]=3 243 B5R0.5 FC(F)=C(Cl)Cl AMY6864 [0,1,0,0,0,0|3,0,0]=4 244 B5R0.5 NC(=O)C(N)=O AMY23583 [0,1,0,0,0,0|1,0,0]=2 245 B5R0.5 O=C(O)C(=O)O AMY514 [0,1,0,0,0,0|1,0,0]=2 246 B5R0.5 O=C(O)C(=O)O AMY6125 [0,1,0,0,0,0|1,0,0]=2 247 B5R0.5 O=C(O)C(F)F AM20100014 [0,1,0,0,0,0|2,0,1]=4 248 B5R0.5 O=C([O-])C(Cl)Cl AMY37987 [0,1,0,0,0,0|2,0,1]=4 249 B5R0.5 O=C([O-])C(Cl)Cl AMY37994 [0,1,0,0,0,0|2,0,1]=4 250 B5R0.5 O=C([O-])[C@@H](F)Cl AMY7116 [0,1,0,0,0,0|2,0,1]=4 251 B5R1.2 O=C1CCC1 AM20070575 [0,0,0,1,0,0|1,0,1]=3 252 B5R1.2 O=C1CCN1 AMY18291 [0,0,0,1,0,0|2,0,0]=3 253 B5R1.2 O=C1CCO1 AM20020040 [0,0,0,1,0,0|2,0,0]=3 254 B5R1.2 O=C1CNC1 AM20090048 [0,0,0,1,0,0|1,0,1]=3 255 B5R1.2 O=C1CNC1 AM20100329 [0,0,0,1,0,0|1,0,1]=3 256 B5R1.2 O=C1COC1 AM20020042 [0,0,0,1,0,0|0,0,2]=3 257 B5R1.2 O=C1CSC1 AM20090216 [0,0,0,1,0,0|0,1,1]=3 258 B5R1.3 C=C[C@@H]1CO1 AMY40815 [0,0,0,1,0,0|1,0,2]=4 259 B5R1.3 O=CC1CC1 AM90182 [0,0,0,1,0,0|1,0,1]=3 260 B2R0.1 C=C[CH2-] AMY41856 [2,0,0,0,0,0|0,0,1]=3 261 B2R0.1 C=C[Mg+] AMY14834 [2,0,0,0,0,0|1,0,0]=3 262 B2R0.1 C=C[Mg+] AMY19835 [2,0,0,0,0,0|1,0,0]=3 263 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|2,0,0]=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 AMY2665 [2,0,0,0,0,0|2,0,0]=4 273 B2R0.1 NC=O AMY3583 [2,0,0,0,0,0|1,0,0]=3 274 B2R0.1 NC=S AMY33487 [2,0,0,0,0,0|1,1,0]=4 275 B2R0.1 O=CO AMY11055 [2,0,0,0,0,0|0,0,1]=3 276 B2R0.1 O=P[O-] AMY21929 [2,0,0,0,0,0|1,0,1]=4 277 B2R0.1 O=[AlH3][O-] AMY534 [2,0,0,0,0,0|1,0,1]=4 278 B2R0.1 O=[Se]=O AMY10040 [2,0,0,0,0,0|1,0,0]=3 279 B2R0.1 O=[Si]=O AMY37125 [2,0,0,0,0,0|0,1,0]=3 280 B4R0.2 C=CCCCl AMY11185 [1,1,0,0,0,0|1,0,1]=4 281 B4R0.2 C=CCCO AMY14291 [1,1,0,0,0,0|1,0,1]=4 282 B4R0.2 C=CCNC AMY13350 [1,1,0,0,0,0|1,0,1]=4 283 B4R0.2 C=CCOC AM20100534 [1,1,0,0,0,0|1,0,1]=4 284 B4R0.2 CC\C=C\Br AMY796 [1,1,0,0,0,0|1,0,0]=3 285 B4R0.2 C\C=C\CCl AMY618 [1,1,0,0,0,0|1,0,0]=3 286 B4R0.2 C\C=C\CO AMY21936 [1,1,0,0,0,0|0,0,1]=3 287 B4R0.3 CP(=O)(Cl)Cl AMY21900 [1,1,0,0,0,0|2,0,0]=4 288 B4R0.3 CP(=O)(O)O AM20120404 [1,1,0,0,0,0|1,0,1]=4 289 B4R0.3 CS(=O)(=O)O AMY32450 [1,1,0,0,0,0|1,0,0]=3 290 B4R0.3 CS(=O)(=O)[O-] AMY11772 [1,1,0,0,0,0|1,0,0]=3 291 B4R0.3 CS(C)(=N)=O AMY3326 [1,1,0,0,0,0|1,0,1]=4 292 B4R0.3 CS(C)(=O)=O AMY25756 [1,1,0,0,0,0|1,0,0]=3 293 B4R0.3 C[S+](C)(C)=O AMY22243 [1,1,0,0,0,0|1,0,1]=4 294 B4R0.3 C[S+](C)(C)=O AMY24038 [1,1,0,0,0,0|1,0,1]=4 295 B4R0.3 NS(=O)(=O)Cl AMY9077 [1,1,0,0,0,0|2,0,0]=4 296 B4R0.3 O=S(=O)(Cl)Cl AMY27828 [1,1,0,0,0,0|2,0,0]=4 297 B4R0.3 O=S(=O)(O)O AMY39406 [1,1,0,0,0,0|2,0,0]=4 298 B4R0.3 O=S(=O)(O)O AMY8941 [1,1,0,0,0,0|2,0,0]=4 299 B4R0.3 O=S(=O)([O-])[O-] AMY13697 [1,1,0,0,0,0|2,0,0]=4 300 B4R0.3 O=[Cr](=O)(O)O AMY22327 [1,1,0,0,0,0|2,0,0]=4 301 B6R0.1 C#CC(=O)OCC AM20100525 [0,2,0,0,0,0|1,0,1]=4 302 B6R0.1 C=CC(=O)NCC AMY36703 [0,2,0,0,0,0|1,0,0]=3 303 B6R0.1 C=CC(=O)OCC AMY40211 [0,2,0,0,0,0|1,0,0]=3 304 B6R0.1 CC#CC(=O)OC AMY1234 [0,2,0,0,0,0|1,0,1]=4 305 B6R0.1 CCC(=O)CC#N AMY10591 [0,2,0,0,0,0|1,0,1]=4 306 B6R0.1 CCNC(=O)CCl AM802871 [0,2,0,0,0,0|1,0,1]=4 307 B6R0.1 CCNC(=O)NC AM85700 [0,2,0,0,0,0|1,0,1]=4 308 B6R0.1 CCOC(=O)CBr AM20070701 [0,2,0,0,0,0|1,0,1]=4 309 B6R0.1 CCOC(=O)CC AMY21941 [0,2,0,0,0,0|1,0,1]=4 310 B6R0.1 CCOC(=O)CN AM81786 [0,2,0,0,0,0|1,0,1]=4 311 B6R0.1 CCOC(=O)NC AMY3767 [0,2,0,0,0,0|1,0,1]=4 312 B6R0.1 CCOC(=O)NN AMY23328 [0,2,0,0,0,0|2,0,0]=4 313 B6R0.1 CC\C=C(/C)C=O AMY2564 [0,2,0,0,0,0|1,0,0]=3 314 B6R0.1 CNC(=O)CC#N AM20100565 [0,2,0,0,0,0|1,0,1]=4 315 B6R0.1 CNCC(=O)OC AM82645 [0,2,0,0,0,0|1,0,1]=4 316 B6R0.1 COC(=O)CCBr AMY21872 [0,2,0,0,0,0|1,0,1]=4 317 B6R0.1 COC(=O)CCN AM20090461 [0,2,0,0,0,0|1,0,1]=4 318 B6R0.1 COC(=O)CCO AM85845 [0,2,0,0,0,0|0,0,2]=4 319 B6R0.1 COC(=O)CSC AMY10908 [0,2,0,0,0,0|0,1,1]=4 320 B6R0.1 COC(=O)OCCl AMY37648 [0,2,0,0,0,0|1,0,1]=4 321 B6R0.1 COC(=O)\C=C\I AMY21721 [0,2,0,0,0,0|1,0,0]=3 322 B6R0.1 COCC(=O)NN AMY3068 [0,2,0,0,0,0|2,0,0]=4 323 B6R0.1 COCC(=O)OC AMY4063 [0,2,0,0,0,0|0,0,2]=4 324 B6R0.1 C\C=C\C(=O)OC AMY15442 [0,2,0,0,0,0|1,0,0]=3 325 B6R0.1 N#CCC(=O)NN AMY5330 [0,2,0,0,0,0|2,0,0]=4 326 B6R0.1 O=C(CCl)CCCl AM9592 [0,2,0,0,0,0|1,0,1]=4 327 B6R0.2 CC(=O)C=C(C)C AMY23356 [0,2,0,0,0,0|1,0,0]=3 328 B6R0.2 CC(=O)CC(C)C AMY11098 [0,2,0,0,0,0|1,0,1]=4 329 B6R0.2 CC(=O)NC(C)C AMY3785 [0,2,0,0,0,0|1,0,1]=4 330 B6R0.2 CC(=O)\C=C(\C)N AMY24718 [0,2,0,0,0,0|1,0,0]=3 331 B6R0.2 CC(=O)\C=C(\C)[O-] AMY11696 [0,2,0,0,0,0|0,0,1]=3 332 B6R0.2 CC(=O)\C=C(\C)[O-] AMY19683 [0,2,0,0,0,0|0,0,1]=3 333 B6R0.2 CC(=O)\C=C(\C)[O-] AMY41912 [0,2,0,0,0,0|0,0,1]=3 334 B6R0.2 CC(C)=CB(O)O AMY021 [0,2,0,0,0,0|1,0,1]=4 335 B6R0.2 CC(C)CC(=O)O AMY40214 [0,2,0,0,0,0|1,0,1]=4 336 B6R0.2 CC(C)OC(=O)Cl AMY3776 [0,2,0,0,0,0|1,0,1]=4 337 B6R0.2 CC(O)CC(=O)[O-] AMY10051 [0,2,0,0,0,0|0,0,2]=4 338 B6R0.2 CC(O)CC(=O)[O-] AMY10054 [0,2,0,0,0,0|0,0,2]=4 339 B6R0.2 CN(C)CC(=O)O AM20080064 [0,2,0,0,0,0|2,0,0]=4 340 B6R0.2 CN(C)CC(=O)O AM81799 [0,2,0,0,0,0|2,0,0]=4 341 B6R0.2 CN(C)CC(=O)[O-] AMY42162 [0,2,0,0,0,0|2,0,0]=4 342 B6R0.2 CN(C)CC(=O)[O-] AMY42163 [0,2,0,0,0,0|2,0,0]=4 343 B6R0.2 C[C@@H](O)CC(=O)O AMY24176 [0,2,0,0,0,0|0,0,2]=4 344 B6R0.2 C[C@H](N)CC(=O)O AM20100008 [0,2,0,0,0,0|1,0,1]=4 345 B6R0.2 C[C@H](N)CC(=O)O AM20100009 [0,2,0,0,0,0|1,0,1]=4 346 B6R0.2 C[C@H](N)CC(=O)O AM20100428 [0,2,0,0,0,0|1,0,1]=4 347 B6R0.2 C[C@H](N)CC(=O)O AM804090 [0,2,0,0,0,0|1,0,1]=4 348 B6R0.2 C[C@H](O)CC(=O)O AMY10050 [0,2,0,0,0,0|0,0,2]=4 349 B6R0.2 C[C@H](O)CC(=O)O AMY24175 [0,2,0,0,0,0|0,0,2]=4 350 B6R0.2 C[C@H](O)CC(=O)[O-] AM86469 [0,2,0,0,0,0|0,0,2]=4 351 B6R0.2 C[C@H](O)CC(=O)[O-] AMY10052 [0,2,0,0,0,0|0,0,2]=4 352 B6R0.2 C[C@H](O)CC(=O)[O-] AMY10055 [0,2,0,0,0,0|0,0,2]=4 353 B6R0.2 C[S+](C)CC(=O)[O-] AM90363 [0,2,0,0,0,0|2,0,0]=4 354 B6R0.2 NC(=O)C[N+](=O)[O-] AM86587 [0,2,0,0,0,0|1,0,1]=4 355 B6R0.2 O=C(Cl)CC(=O)Cl AM10012 [0,2,0,0,0,0|1,0,0]=3 356 B6R0.2 O=C(O)C=C(Cl)Cl AMY14156 [0,2,0,0,0,0|2,0,0]=4 357 B6R0.2 O=C(O)CC(=O)O AMY11201 [0,2,0,0,0,0|1,0,0]=3 358 B6R0.3 C=C(F)C(=O)OC AM20120633 [0,2,0,0,0,0|1,0,0]=3 359 B6R0.3 C=CC(=O)N(C)C AM84856 [0,2,0,0,0,0|1,0,0]=3 360 B6R0.3 C=CN(C)C(C)=O AMY3934 [0,2,0,0,0,0|1,0,0]=3 361 B6R0.3 CC(=O)C(=O)CBr AMY23002 [0,2,0,0,0,0|0,0,0]=2 362 B6R0.3 CC(=O)C(=O)CCl AMY42031 [0,2,0,0,0,0|0,0,0]=2 363 B6R0.3 CC(=O)[C@@H](C)C=O AMY6397 [0,2,0,0,0,0|0,0,0]=2 364 B6R0.3 CC(C)C(=O)NN AMY3958 [0,2,0,0,0,0|1,0,1]=4 365 B6R0.3 CCC(=O)C(=O)O AM90224 [0,2,0,0,0,0|0,0,0]=2 366 B6R0.3 CCC(=O)C(=O)[O-] AMY7718 [0,2,0,0,0,0|0,0,0]=2 367 B6R0.3 CCC(=O)C(C)=O AMY4046 [0,2,0,0,0,0|0,0,0]=2 368 B6R0.3 CCC(=O)N(C)C AMY38676 [0,2,0,0,0,0|1,0,1]=4 369 B6R0.3 CCC(=O)[C@H](C)Br AMY6079 [0,2,0,0,0,0|1,0,1]=4 370 B6R0.3 CCN(C)C(=O)Cl AM20090787 [0,2,0,0,0,0|2,0,0]=4 371 B6R0.3 CCN(O)C(C)=O AMY33549 [0,2,0,0,0,0|1,0,1]=4 372 B6R0.3 CC[C@@H](Br)C(=O)O AMY2458 [0,2,0,0,0,0|1,0,1]=4 373 B6R0.3 CC[C@@H](N)C(N)=O AMY725 [0,2,0,0,0,0|1,0,1]=4 374 B6R0.3 CC[C@H](Br)C(=O)O AM81433 [0,2,0,0,0,0|1,0,1]=4 375 B6R0.3 CC[C@H](C)C(=O)O AM802977 [0,2,0,0,0,0|1,0,1]=4 376 B6R0.3 CC[C@H](N)C(=O)O AM20080375 [0,2,0,0,0,0|1,0,1]=4 377 B6R0.3 CC[C@H](N)C(=O)O AM20090323 [0,2,0,0,0,0|1,0,1]=4 378 B6R0.3 CC[C@H](N)C(=O)O AM20090360 [0,2,0,0,0,0|1,0,1]=4 379 B6R0.3 CC[C@H](N)C(N)=O AM20100759 [0,2,0,0,0,0|1,0,1]=4 380 B6R0.3 CC[C@H](N)C(N)=O AM20120294 [0,2,0,0,0,0|1,0,1]=4 381 B6R0.3 CC[C@H](S)C(=O)O AMY2446 [0,2,0,0,0,0|0,1,1]=4 382 B6R0.3 CN(C)C(=O)CCl AM84854 [0,2,0,0,0,0|1,0,1]=4 383 B6R0.3 CN(C)C(=O)CI AM805909 [0,2,0,0,0,0|1,0,1]=4 384 B6R0.3 CN(C)C(=O)CN AM20100689 [0,2,0,0,0,0|1,0,1]=4 385 B6R0.3 CN(C)C(=O)CN AMY4281 [0,2,0,0,0,0|1,0,1]=4 386 B6R0.3 CN(N=O)C(N)=O AMY36707 [0,2,0,0,0,0|1,0,0]=3 387 B6R0.3 CN[C@@H](C)C(=O)O AM81482 [0,2,0,0,0,0|1,0,1]=4 388 B6R0.3 CN[C@@H](C)C(=O)O AM82991 [0,2,0,0,0,0|1,0,1]=4 389 B6R0.3 CN[C@@H](C)C(=O)O AM9397 [0,2,0,0,0,0|1,0,1]=4 390 B6R0.3 CN[C@@H](C)C(=O)[O-] AM9064 [0,2,0,0,0,0|1,0,1]=4 391 B6R0.3 CN[C@H](C)C(=O)O AMY25382 [0,2,0,0,0,0|1,0,1]=4 392 B6R0.3 COC(=O)C(=N)N AM804117 [0,2,0,0,0,0|1,0,0]=3 393 B6R0.3 COC(=O)C(C)=O AMY40825 [0,2,0,0,0,0|0,0,0]=2 394 B6R0.3 COC(=O)C(F)F AMY3631 [0,2,0,0,0,0|1,0,1]=4 395 B6R0.3 COC(=O)[C@H](C)Br AMY21873 [0,2,0,0,0,0|1,0,1]=4 396 B6R0.3 COC(=O)[C@H](C)Cl AM81434 [0,2,0,0,0,0|1,0,1]=4 397 B6R0.3 COC(=O)[C@H](C)Cl AM81435 [0,2,0,0,0,0|1,0,1]=4 398 B6R0.3 COC(=O)[C@H](C)Cl AMY3875 [0,2,0,0,0,0|1,0,1]=4 399 B6R0.3 COC(=O)[C@H](C)N AM20080254 [0,2,0,0,0,0|1,0,1]=4 400 B6R0.3 COC(=O)[C@H](C)N AM20090283 [0,2,0,0,0,0|1,0,1]=4 401 B6R0.3 COC(=O)[C@H](C)N AM81485 [0,2,0,0,0,0|1,0,1]=4 402 B6R0.3 CON(C)C(C)=O AM1188 [0,2,0,0,0,0|1,0,1]=4 403 B6R0.3 CO[C@H](C)C(=O)O AM84813 [0,2,0,0,0,0|0,0,2]=4 404 B6R0.3 C[C@@H](CN)C(=O)O AMY22008 [0,2,0,0,0,0|1,0,1]=4 405 B6R0.3 C[C@@H](CO)C(=O)O AMY18825 [0,2,0,0,0,0|0,0,2]=4 406 B6R0.3 C[C@H](C#N)C(=O)O AMY19783 [0,2,0,0,0,0|1,0,1]=4 407 B6R0.3 C\C=C(/C)C(C)=O AMY4030 [0,2,0,0,0,0|1,0,0]=3 408 B6R0.3 C\C=C(\C)C(=O)O AMY19230 [0,2,0,0,0,0|1,0,0]=3 409 B6R0.3 ClCC(Cl)=C(Cl)Cl AMY15516 [0,2,0,0,0,0|2,0,0]=4 410 B6R0.3 NC(=O)C(N)CO AM806435 [0,2,0,0,0,0|1,0,1]=4 411 B6R0.3 NC(=O)[C@@H](N)CO AM20100594 [0,2,0,0,0,0|1,0,1]=4 412 B6R0.3 NC[C@H](N)C(=O)O AM20080367 [0,2,0,0,0,0|1,0,1]=4 413 B6R0.3 NC[C@H](N)C(=O)O AM20100354 [0,2,0,0,0,0|1,0,1]=4 414 B6R0.3 NC[C@H](N)C(=O)O AM20100470 [0,2,0,0,0,0|1,0,1]=4 415 B6R0.3 NC[C@H](O)C(=O)O AM1113 [0,2,0,0,0,0|0,0,2]=4 416 B6R0.3 NC[C@H](O)C(=O)O AM82574 [0,2,0,0,0,0|0,0,2]=4 417 B6R0.3 NNC(=O)C(F)F AMY7118 [0,2,0,0,0,0|2,0,0]=4 418 B6R0.3 N[C@@H](CCl)C(=O)O AMY22074 [0,2,0,0,0,0|1,0,1]=4 419 B6R0.3 N[C@@H](CCl)C(=O)O AMY22075 [0,2,0,0,0,0|1,0,1]=4 420 B6R0.3 N[C@@H](CO)C(=O)O AM20090412 [0,2,0,0,0,0|1,0,1]=4 421 B6R0.3 N[C@@H](CO)C(=O)O AM20090441 [0,2,0,0,0,0|1,0,1]=4 422 B6R0.3 N[C@@H](CO)C(=O)O AM20100375 [0,2,0,0,0,0|1,0,1]=4 423 B6R0.3 N[C@@H](CS)C(=O)O AM20070682 [0,2,0,0,0,0|1,0,1]=4 424 B6R0.3 N[C@@H](CS)C(=O)O AM81647 [0,2,0,0,0,0|1,0,1]=4 425 B6R0.3 N[C@@H](CS)C(=O)O AM81648 [0,2,0,0,0,0|1,0,1]=4 426 B6R0.3 N[C@@H](CS)C(=O)O AM81649 [0,2,0,0,0,0|1,0,1]=4 427 B6R0.3 N[C@@H](CS)C(=O)O AM81651 [0,2,0,0,0,0|1,0,1]=4 428 B6R0.3 N[C@H](CCl)C(=O)O AMY19767 [0,2,0,0,0,0|1,0,1]=4 429 B6R0.3 O=C(O)C(=O)CBr AM84337 [0,2,0,0,0,0|0,0,0]=2 430 B6R0.3 O=C(O)[C@@H](Br)CBr AM20100466 [0,2,0,0,0,0|1,0,1]=4 431 B6R0.3 OCC(I)=C(I)I AMY38250 [0,2,0,0,0,0|2,0,0]=4 432 B6R0.4 C#CCOC(C)=O AM90264 [0,2,0,0,0,0|1,0,1]=4 433 B6R0.4 C=CCCC(=O)Cl AMY808 [0,2,0,0,0,0|2,0,0]=4 434 B6R0.4 C=CCCC(=O)O AMY12553 [0,2,0,0,0,0|2,0,0]=4 435 B6R0.4 C=CCCC(C)=O AM84335 [0,2,0,0,0,0|1,0,0]=3 436 B6R0.4 C=CCOC(=O)Cl AMY3928 [0,2,0,0,0,0|2,0,0]=4 437 B6R0.4 C=CCOC(C)=O AMY22115 [0,2,0,0,0,0|1,0,0]=3 438 B6R0.4 C=CNCC(=O)O AMY22733 [0,2,0,0,0,0|2,0,0]=4 439 B6R0.4 CC(=O)NCCN AMY40665 [0,2,0,0,0,0|1,0,1]=4 440 B6R0.4 CN(C)\C=C\C=O AM20120332 [0,2,0,0,0,0|2,0,0]=4 441 B6R0.4 O=C(O)\C=C\CBr AMY7050 [0,2,0,0,0,0|2,0,0]=4 442 B6R0.5 CC(C)(C)CC=O AM20090398 [0,2,0,0,0,0|1,0,1]=4 443 B6R0.8 C=CS(=O)(=O)CC AMY31560 [0,2,0,0,0,0|2,0,0]=4 444 B6R0.8 CCC(Br)(Br)C=O AMY2945 [0,2,0,0,0,0|1,0,1]=4 445 B6R0.7 CC(=O)C(C)(C)N AM806454 [0,2,0,0,0,0|1,0,1]=4 446 B6R0.7 CC(=O)C(C)(C)O AM84347 [0,2,0,0,0,0|0,0,2]=4 447 B6R0.7 CC(=O)C(F)(F)F AMY3622 [0,2,0,0,0,0|1,0,1]=4 448 B6R0.7 CC(C)(Br)C(=O)Br AM84723 [0,2,0,0,0,0|1,0,1]=4 449 B6R0.7 CC(C)(Br)C(=O)O AM20090161 [0,2,0,0,0,0|1,0,1]=4 450 B6R0.7 CC(C)(Br)C(N)=O AMY7268 [0,2,0,0,0,0|1,0,1]=4 451 B6R0.7 CC(C)(N)C(=O)O AM20100517 [0,2,0,0,0,0|1,0,1]=4 452 B6R0.7 CC(C)(N)C(N)=O AMY20154 [0,2,0,0,0,0|1,0,1]=4 453 B6R0.7 CC(F)(F)C(=O)O AMY1273 [0,2,0,0,0,0|1,0,1]=4 454 B6R1.2 BrC1=CCCC1 AMY38286 [0,1,0,1,0,0|2,0,0]=4 455 B6R1.2 CC1=CC=CN1 AMY18997 [0,1,0,1,0,0|2,0,0]=4 456 B6R1.2 CC1=CC=CO1 AMY11051 [0,1,0,1,0,0|1,0,1]=4 457 B6R1.2 CC1=CC=CS1 AMY23234 [0,1,0,1,0,0|1,1,0]=4 458 B6R1.2 CC1=CC=NN1 AM20120265 [0,1,0,1,0,0|2,0,0]=4 459 B6R1.2 CC1=CC=NO1 AM20100414 [0,1,0,1,0,0|1,0,1]=4 460 B6R1.2 CC1=CCCC1 AMY6023 [0,1,0,1,0,0|2,0,0]=4 461 B6R1.2 CC1=CN=C[Tb]1 AMY33347 [0,1,0,1,0,0|2,0,0]=4 462 B6R1.2 CC1=CNC=C1 AMY14173 [0,1,0,1,0,0|2,0,0]=4 463 B6R1.2 CC1=CNC=N1 AMY23279 [0,1,0,1,0,0|2,0,0]=4 464 B6R1.2 CC1=CNN=C1 AM20100737 [0,1,0,1,0,0|2,0,0]=4 465 B6R1.2 CC1=CNN=N1 AMY22953 [0,1,0,1,0,0|2,0,0]=4 466 B6R1.2 CC1=COC=N1 AMY32123 [0,1,0,1,0,0|1,0,1]=4 467 B6R1.2 CC1=CSC=C1 AMY40151 [0,1,0,1,0,0|1,1,0]=4 468 B6R1.2 CC1=CSC=N1 AM20100646 [0,1,0,1,0,0|1,1,0]=4 469 B6R1.2 CC1=NC=CN1 AM20100647 [0,1,0,1,0,0|2,0,0]=4 470 B6R1.2 CC1=NC=CO1 AMY24088 [0,1,0,1,0,0|1,0,1]=4 471 B6R1.2 CC1=NC=CS1 AM20090566 [0,1,0,1,0,0|1,1,0]=4 472 B6R1.2 CC1=NN=CO1 AM20090539 [0,1,0,1,0,0|2,0,0]=4 473 B6R1.2 CC1=NNC=C1 AM62623 [0,1,0,1,0,0|2,0,0]=4 474 B6R1.2 CC1=NNC=N1 AMY10447 [0,1,0,1,0,0|2,0,0]=4 475 B6R1.2 O=C1C=CCC1 AM61702 [0,1,0,1,0,0|1,0,0]=3 476 B6R1.2 O=C1C=CCO1 AM20100212 [0,1,0,1,0,0|1,0,0]=3 477 B6R1.2 O=C1C=CNN1 AMY11929 [0,1,0,1,0,0|2,0,0]=4 478 B6R1.2 O=C1CC=NN1 AMY11924 [0,1,0,1,0,0|2,0,0]=4 479 B6R1.2 O=C1CCCC1 AMY37126 [0,1,0,1,0,0|1,0,1]=4 480 B6R1.2 O=C1CCCN1 AMY25506 [0,1,0,1,0,0|1,0,1]=4 481 B6R1.2 O=C1CCNC1 AM20120384 [0,1,0,1,0,0|1,0,1]=4 482 B6R1.2 O=C1CCNC1 AMY6183 [0,1,0,1,0,0|1,0,1]=4 483 B6R1.2 O=C1CCNN1 AMY39277 [0,1,0,1,0,0|2,0,0]=4 484 B6R1.2 O=C1CCOC1 AM20090235 [0,1,0,1,0,0|0,0,2]=4 485 B6R1.2 O=C1CCSC1 AMY23378 [0,1,0,1,0,0|0,1,1]=4 486 B6R1.2 O=C1CNCN1 AM84594 [0,1,0,1,0,0|1,0,1]=4 487 B6R1.2 O=C1NC=CN1 AMY20044 [0,1,0,1,0,0|2,0,0]=4 488 B6R1.2 O=C1NCCN1 AM20080146 [0,1,0,1,0,0|2,0,0]=4 489 B6R1.2 O=C1NCCO1 AMY39498 [0,1,0,1,0,0|2,0,0]=4 490 B6R1.2 O=C1OC=CO1 AMY10397 [0,1,0,1,0,0|2,0,0]=4 491 B6R1.3 O=CNC1CC1 AM804092 [0,1,0,1,0,0|1,0,1]=4 492 B6R1.5 CC1CC(=O)C1 AM806996 [0,1,0,1,0,0|1,0,1]=4 493 B6R1.5 NC1CC(=O)C1 AM20070559 [0,1,0,1,0,0|1,0,1]=4 494 B6R1.5 O=C1CC(O)C1 AMY33736 [0,1,0,1,0,0|0,0,2]=4 495 B6R1.11 CC(=O)C1CC1 AM83286 [0,1,0,1,0,0|1,0,1]=4 496 B6R1.11 NC(=O)C1CC1 AM20100524 [0,1,0,1,0,0|1,0,1]=4 497 B6R1.11 NC(=O)[C@@H]1CN1 AMY19258 [0,1,0,1,0,0|1,0,1]=4 498 B6R1.11 O=C(Cl)C1CC1 AMY3975 [0,1,0,1,0,0|1,0,1]=4 499 B6R1.11 O=C(O)C1CC1 AM83282 [0,1,0,1,0,0|1,0,1]=4 500 B6R1.11 O=C([O-])[C@@H]1CO1 AM85800 [0,1,0,1,0,0|0,0,2]=4 501 B6R1.6 O=CC1CCC1 AM90197 [0,1,0,1,0,0|1,0,1]=4 502 B6R1.6 O=CC1COC1 AMY38489 [0,1,0,1,0,0|0,0,2]=4