0 B5R0.5 C=C(C)C(=O)Cl AMY25816 [0,0,0,0,0,0|1,0,2]=3 1 B5R0.5 C=C(C)C(N)=O AMY13351 [0,0,0,0,0,0|1,0,2]=3 2 B5R0.5 C=C(F)C(=O)O AM84938 [0,0,0,0,0,0|1,0,2]=3 3 B5R0.5 CC(=O)C(=O)O AMY6082 [0,0,0,0,0,0|1,0,1]=2 4 B5R0.5 CC(=O)C(=O)[O-] AMY25534 [0,0,0,0,0,0|1,0,2]=3 5 B5R0.5 CC(=O)C(=O)[O-] AMY25673 [0,0,0,0,0,0|1,0,2]=3 6 B5R0.5 CC(=O)C(=O)[O-] AMY25702 [0,0,0,0,0,0|1,0,2]=3 7 B5R0.5 CC(=O)C(C)C AMY11021 [0,0,0,0,0,0|1,0,0]=1 8 B5R0.5 CC(=O)C(F)F AMY6800 [0,0,0,0,0,0|3,0,0]=3 9 B5R0.5 CC(=O)C(O)O AMY25827 [0,0,0,0,0,0|3,0,0]=3 10 B5R0.5 CC(=O)[C@H](C)F AMY5968 [0,0,0,0,0,0|2,0,0]=2 11 B5R0.5 CC(C)B(O)O AM1192 [0,0,0,0,0,0|1,0,1]=2 12 B5R0.5 CC(C)N(C)C AMY13340 [0,0,0,0,0,0|3,0,0]=3 13 B5R0.5 CC(C)[C@@H](C)N AMY22001 [0,0,0,0,0,0|2,0,1]=3 14 B5R0.5 CC(C)[C@H](C)N AMY14243 [0,0,0,0,0,0|2,0,1]=3 15 B5R0.5 CC(C)[N+](=O)[O-] AMY25784 [0,0,0,0,0,0|1,0,1]=2 16 B5R0.5 CC(F)=C(F)F AMY37198 [0,0,0,0,0,0|3,0,1]=4 17 B5R0.5 CC(O)C(=O)[O-] AMY37027 [0,0,0,0,0,0|1,0,1]=2 18 B5R0.5 CN(C)C(=N)N AM804111 [0,0,0,0,0,0|3,0,0]=3 19 B5R0.5 C[C@H](Br)C(=O)O AM81431 [0,0,0,0,0,0|1,0,0]=1 20 B5R0.5 C[C@H](Br)C(=O)O AM81432 [0,0,0,0,0,0|1,0,0]=1 21 B5R0.5 C[C@H](Br)C(=O)O AMY21881 [0,0,0,0,0,0|1,0,0]=1 22 B5R0.5 C[C@H](Br)C(N)=O AMY7273 [0,0,0,0,0,0|2,0,0]=2 23 B5R0.5 C[C@H](Cl)C(=O)Cl AMY40167 [0,0,0,0,0,0|2,0,0]=2 24 B5R0.5 C[C@H](Cl)C(=O)O AM81429 [0,0,0,0,0,0|1,0,0]=1 25 B5R0.5 C[C@H](Cl)C(=O)O AM81430 [0,0,0,0,0,0|1,0,0]=1 26 B5R0.5 C[C@H](Cl)C(=O)O AMY4045 [0,0,0,0,0,0|1,0,0]=1 27 B5R0.5 C[C@H](F)C(=O)O AMY5967 [0,0,0,0,0,0|1,0,0]=1 28 B5R0.5 C[C@H](N)C(=O)O AM20090411 [0,0,0,0,0,0|1,0,0]=1 29 B5R0.5 C[C@H](N)C(=O)O AM20090517 [0,0,0,0,0,0|1,0,0]=1 30 B5R0.5 C[C@H](N)C(=O)O AM20100374 [0,0,0,0,0,0|1,0,0]=1 31 B5R0.5 C[C@H](N)C(N)=O AM20090503 [0,0,0,0,0,0|2,0,0]=2 32 B5R0.5 C[C@H](N)C(N)=O AM81484 [0,0,0,0,0,0|2,0,0]=2 33 B5R0.5 C[C@H](O)C(=N)N AM806558 [0,0,0,0,0,0|3,0,0]=3 34 B5R0.5 C[C@H](O)C(=O)O AM87208 [0,0,0,0,0,0|1,0,0]=1 35 B5R0.5 C[C@H](O)C(=O)[O-] AMY22237 [0,0,0,0,0,0|1,0,1]=2 36 B5R0.5 NC(=O)C(N)=O AMY23583 [0,0,0,0,0,0|3,0,1]=4 37 B5R0.5 O=C(O)C(=O)O AMY514 [0,0,0,0,0,0|2,0,1]=3 38 B5R0.5 O=C(O)C(=O)O AMY6125 [0,0,0,0,0,0|2,0,1]=3 39 B5R0.5 O=C(O)C(F)F AM20100014 [0,0,0,0,0,0|2,0,0]=2 40 B5R0.5 O=C([O-])C(Cl)Cl AMY37987 [0,0,0,0,0,0|2,0,1]=3 41 B5R0.5 O=C([O-])C(Cl)Cl AMY37994 [0,0,0,0,0,0|2,0,1]=3 42 B5R0.5 O=C([O-])[C@@H](F)Cl AMY7116 [0,0,0,0,0,0|2,0,1]=3 43 B5R0.5 O=[S@]([O-])C(F)F AMY7114 [0,0,0,0,0,0|3,0,1]=4 44 B4R0.1 C#CC(=O)O AMY7000 [1,0,0,0,0,0|0,0,2]=3 45 B4R0.1 C#CC(N)=O AM20100705 [1,0,0,0,0,0|1,0,2]=4 46 B4R0.1 C#C[C@@H](C)O AMY24232 [1,0,0,0,0,0|2,0,1]=4 47 B4R0.1 C#C[C@H](C)Br AMY12092 [1,0,0,0,0,0|2,0,1]=4 48 B4R0.1 C#C[C@H](C)N AM806670 [1,0,0,0,0,0|2,0,1]=4 49 B4R0.1 C#C[C@H](C)O AMY34392 [1,0,0,0,0,0|2,0,1]=4 50 B4R0.1 C=C(Br)C=O AMY19362 [1,0,0,0,0,0|1,0,2]=4 51 B4R0.1 C=C(C)C=O AMY28760 [1,0,0,0,0,0|0,0,2]=3 52 B4R0.1 C=C(C)CBr AM85592 [1,0,0,0,0,0|3,0,0]=4 53 B4R0.1 C=C(C)CN AMY13356 [1,0,0,0,0,0|3,0,0]=4 54 B4R0.1 C=C(Cl)CCl AMY4111 [1,0,0,0,0,0|3,0,0]=4 55 B4R0.1 C=C=C(C)C AMY42296 [1,0,0,0,0,0|1,0,2]=4 56 B4R0.1 C=CC(=C)C AMY37001 [1,0,0,0,0,0|1,0,2]=4 57 B4R0.1 C=CC(=O)Cl AMY18873 [1,0,0,0,0,0|1,0,2]=4 58 B4R0.1 C=CC(=O)[O-] AMY3817 [1,0,0,0,0,0|0,0,3]=4 59 B4R0.1 C=C[C@H](C)Cl AMY617 [1,0,0,0,0,0|2,0,0]=3 60 B4R0.1 C=C[C@H](C)O AMY1257 [1,0,0,0,0,0|2,0,0]=3 61 B4R0.1 CC(=N)NO AMY18111 [1,0,0,0,0,0|2,0,1]=4 62 B4R0.1 CC(=O)C#N AMY39183 [1,0,0,0,0,0|2,0,1]=4 63 B4R0.1 CC(=O)CBr AM85840 [1,0,0,0,0,0|2,0,0]=3 64 B4R0.1 CC(=O)CN AMY15017 [1,0,0,0,0,0|2,0,0]=3 65 B4R0.1 CC(=O)CN AMY25062 [1,0,0,0,0,0|2,0,0]=3 66 B4R0.1 CC(=O)NN AM20080014 [1,0,0,0,0,0|3,0,0]=4 67 B4R0.1 CC(=O)NO AM20100343 [1,0,0,0,0,0|2,0,1]=4 68 B4R0.1 CC(C)=CBr AM85707 [1,0,0,0,0,0|1,0,1]=3 69 B4R0.1 CC(C)=NN AM9761 [1,0,0,0,0,0|2,0,1]=4 70 B4R0.1 CC(C)=NO AM90369 [1,0,0,0,0,0|1,0,1]=3 71 B4R0.1 CC(C)CBr AMY25783 [1,0,0,0,0,0|1,0,1]=3 72 B4R0.1 CC(C)NN AM20090002 [1,0,0,0,0,0|2,0,0]=3 73 B4R0.1 CC(C)NN AMY202003297 [1,0,0,0,0,0|2,0,0]=3 74 B4R0.1 CC(C)ON AM90376 [1,0,0,0,0,0|2,0,0]=3 75 B4R0.1 CCB(O)O AM80871 [1,0,0,0,0,0|1,0,1]=3 76 B4R0.1 CCC(=N)N AM803843 [1,0,0,0,0,0|2,0,0]=3 77 B4R0.1 CCC(=O)Cl AMY4112 [1,0,0,0,0,0|1,0,0]=2 78 B4R0.1 CCC(=O)O AMY4114 [1,0,0,0,0,0|0,0,0]=1 79 B4R0.1 CCC(=O)[O-] AMY22300 [1,0,0,0,0,0|0,0,1]=2 80 B4R0.1 CCC(=O)[O-] AMY37013 [1,0,0,0,0,0|0,0,1]=2 81 B4R0.1 CCC(C)[O-] AMY22246 [1,0,0,0,0,0|1,0,2]=4 82 B4R0.1 CCC(N)=S AMY39288 [1,0,0,0,0,0|1,1,0]=3 83 B4R0.1 CCN(C)C AMY13339 [1,0,0,0,0,0|2,0,1]=4 84 B4R0.1 CC[C@H](C)O AMY11001 [1,0,0,0,0,0|1,0,1]=3 85 B4R0.1 CC[S@](=O)[O-] AMY15674 [1,0,0,0,0,0|1,0,1]=3 86 B4R0.1 CN(C)C=S AMY40664 [1,0,0,0,0,0|1,1,0]=3 87 B4R0.1 CN(C)CCl AMY39211 [1,0,0,0,0,0|2,0,1]=4 88 B4R0.1 CNC(=N)N AM20090228 [1,0,0,0,0,0|3,0,0]=4 89 B4R0.1 CNC(C)=O AMY4115 [1,0,0,0,0,0|2,0,0]=3 90 B4R0.1 CNC(C)C AMY13353 [1,0,0,0,0,0|2,0,0]=3 91 B4R0.1 CNC(N)=O AMY40217 [1,0,0,0,0,0|2,0,0]=3 92 B4R0.1 COC(=N)N AM85805 [1,0,0,0,0,0|3,0,0]=4 93 B4R0.1 COC(=N)N AMY8981 [1,0,0,0,0,0|3,0,0]=4 94 B4R0.1 COC(N)=O AMY4044 [1,0,0,0,0,0|2,0,0]=3 95 B4R0.1 CSC(=N)N AMY22236 [1,0,0,0,0,0|3,0,0]=4 96 B4R0.1 CSC(=N)N AMY304 [1,0,0,0,0,0|3,0,0]=4 97 B4R0.1 C[C@@H](Cl)CO AMY21413 [1,0,0,0,0,0|1,0,1]=3 98 B4R0.1 C[C@@H](N)CN AMY3648 [1,0,0,0,0,0|2,0,1]=4 99 B4R0.1 C[C@H](Br)C#N AMY39192 [1,0,0,0,0,0|2,0,1]=4 100 B4R0.1 C[C@H](Cl)CO AMY21357 [1,0,0,0,0,0|1,0,1]=3 101 B4R0.1 C[C@H](N)C#N AM9634 [1,0,0,0,0,0|2,0,1]=4 102 B4R0.1 C[C@H](N)CN AMY3672 [1,0,0,0,0,0|2,0,1]=4 103 B4R0.1 C[C@H](N)CO AM20090557 [1,0,0,0,0,0|1,0,1]=3 104 B4R0.1 C[C@H](N)CO AM20100507 [1,0,0,0,0,0|1,0,1]=3 105 B4R0.1 C[C@H](O)CN AM20090353 [1,0,0,0,0,0|2,0,1]=4 106 B4R0.1 C[C@H](O)CN AM20100779 [1,0,0,0,0,0|2,0,1]=4 107 B4R0.1 C[C@H](O)CN AM81450 [1,0,0,0,0,0|2,0,1]=4 108 B4R0.1 NC(=O)CBr AM85872 [1,0,0,0,0,0|2,0,0]=3 109 B4R0.1 NC(=O)CCl AMY4113 [1,0,0,0,0,0|2,0,0]=3 110 B4R0.1 NC(=O)NO AMY40858 [1,0,0,0,0,0|3,0,0]=4 111 B4R0.1 NCC(=O)O AM81781 [1,0,0,0,0,0|1,0,0]=2 112 B4R0.1 NCC(=O)[O-] AMY37022 [1,0,0,0,0,0|1,0,1]=3 113 B4R0.1 NCC(N)=O AM20080473 [1,0,0,0,0,0|2,0,0]=3 114 B4R0.1 NCC(N)=O AMY20517 [1,0,0,0,0,0|2,0,0]=3 115 B4R0.1 NCC(N)=O AMY22705 [1,0,0,0,0,0|2,0,0]=3 116 B4R0.1 O=C(Br)CBr AMY21867 [1,0,0,0,0,0|2,0,0]=3 117 B4R0.1 O=C(Cl)CBr AMY13645 [1,0,0,0,0,0|2,0,0]=3 118 B4R0.1 O=C(Cl)CCl AMY40193 [1,0,0,0,0,0|2,0,0]=3 119 B4R0.1 O=C([O-])CS AMY25320 [1,0,0,0,0,0|1,0,1]=3 120 B4R0.1 O=CC(=O)O AMY40947 [1,0,0,0,0,0|1,0,1]=3 121 B4R0.1 O=[N+]([O-])CBr AMY33516 [1,0,0,0,0,0|2,0,1]=4 122 B4R0.1 OCC(F)F AMY3957 [1,0,0,0,0,0|2,0,1]=4 123 B4R0.1 [Li]CC(C)C AMY14929 [1,0,0,0,0,0|1,0,1]=3 124 B4R0.1 [Li][C@@H](C)CC AMY14890 [1,0,0,0,0,0|2,0,1]=4 125 B6R0.3 C=C(F)C(=O)OC AM20120633 [0,1,0,0,0,0|1,0,2]=4 126 B6R0.3 C=C(I)[C@H](C)CI AMY6046 [0,1,0,0,0,0|2,0,0]=3 127 B6R0.3 C=CC(=O)N(C)C AM84856 [0,1,0,0,0,0|2,0,0]=3 128 B6R0.3 C=CN(C)C(C)=O AMY3934 [0,1,0,0,0,0|2,0,1]=4 129 B6R0.3 CC(=O)C(=O)CBr AMY23002 [0,1,0,0,0,0|2,0,1]=4 130 B6R0.3 CC(=O)C(=O)CCl AMY42031 [0,1,0,0,0,0|2,0,1]=4 131 B6R0.3 CC(=O)[C@@H](C)C=O AMY6397 [0,1,0,0,0,0|1,0,1]=3 132 B6R0.3 CC(C)C(=N)NO AM803769 [0,1,0,0,0,0|1,0,0]=2 133 B6R0.3 CC(C)C(=O)NN AMY3958 [0,1,0,0,0,0|1,0,0]=2 134 B6R0.3 CC(C)[C@@H](C)CO AMY19225 [0,1,0,0,0,0|1,0,1]=3 135 B6R0.3 CC(C)[C@@H](N)CO AM20080457 [0,1,0,0,0,0|1,0,1]=3 136 B6R0.3 CC(C)[C@@H](N)CO AM20090150 [0,1,0,0,0,0|1,0,1]=3 137 B6R0.3 CC(C)[C@@H](N)CO AM20100129 [0,1,0,0,0,0|1,0,1]=3 138 B6R0.3 CC(C)[C@H](N)C#N AMY32625 [0,1,0,0,0,0|2,0,1]=4 139 B6R0.3 CC(C)\C(Cl)=N\O AMY37414 [0,1,0,0,0,0|1,0,0]=2 140 B6R0.3 CCC(=O)C(=O)O AM90224 [0,1,0,0,0,0|1,0,1]=3 141 B6R0.3 CCC(=O)C(=O)[O-] AMY7718 [0,1,0,0,0,0|1,0,2]=4 142 B6R0.3 CCC(=O)C(C)=O AMY4046 [0,1,0,0,0,0|2,0,1]=4 143 B6R0.3 CCC(=O)N(C)C AMY38676 [0,1,0,0,0,0|2,0,0]=3 144 B6R0.3 CCC(=O)[C@H](C)Br AMY6079 [0,1,0,0,0,0|2,0,0]=3 145 B6R0.3 CCN(C)C(=O)Cl AM20090787 [0,1,0,0,0,0|2,0,0]=3 146 B6R0.3 CCN(O)C(C)=O AMY33549 [0,1,0,0,0,0|3,0,0]=4 147 B6R0.3 CC[C@@H](Br)C(=O)O AMY2458 [0,1,0,0,0,0|1,0,0]=2 148 B6R0.3 CC[C@@H](N)C(N)=O AMY725 [0,1,0,0,0,0|2,0,0]=3 149 B6R0.3 CC[C@H](Br)C(=O)O AM81433 [0,1,0,0,0,0|1,0,0]=2 150 B6R0.3 CC[C@H](C)B(O)O AM85121 [0,1,0,0,0,0|1,0,1]=3 151 B6R0.3 CC[C@H](C)C(=O)O AM802977 [0,1,0,0,0,0|0,0,0]=1 152 B6R0.3 CC[C@H](N)C(=O)O AM20080375 [0,1,0,0,0,0|1,0,0]=2 153 B6R0.3 CC[C@H](N)C(=O)O AM20090323 [0,1,0,0,0,0|1,0,0]=2 154 B6R0.3 CC[C@H](N)C(=O)O AM20090360 [0,1,0,0,0,0|1,0,0]=2 155 B6R0.3 CC[C@H](N)C(N)=O AM20100759 [0,1,0,0,0,0|2,0,0]=3 156 B6R0.3 CC[C@H](N)C(N)=O AM20120294 [0,1,0,0,0,0|2,0,0]=3 157 B6R0.3 CC[C@H](S)C(=O)O AMY2446 [0,1,0,0,0,0|1,0,0]=2 158 B6R0.3 CN(C)C(=O)CCl AM84854 [0,1,0,0,0,0|2,0,0]=3 159 B6R0.3 CN(C)C(=O)CI AM805909 [0,1,0,0,0,0|2,0,0]=3 160 B6R0.3 CN(C)C(=O)CN AM20100689 [0,1,0,0,0,0|2,0,0]=3 161 B6R0.3 CN(C)C(=O)CN AMY4281 [0,1,0,0,0,0|2,0,0]=3 162 B6R0.3 CN(N=O)C(N)=O AMY36707 [0,1,0,0,0,0|3,0,0]=4 163 B6R0.3 CN[C@@H](C)C(=O)O AM81482 [0,1,0,0,0,0|0,0,0]=1 164 B6R0.3 CN[C@@H](C)C(=O)O AM82991 [0,1,0,0,0,0|0,0,0]=1 165 B6R0.3 CN[C@@H](C)C(=O)O AM9397 [0,1,0,0,0,0|0,0,0]=1 166 B6R0.3 CN[C@@H](C)C(=O)[O-] AM9064 [0,1,0,0,0,0|0,0,1]=2 167 B6R0.3 CN[C@@H](C)C(C)C AMY37353 [0,1,0,0,0,0|2,0,1]=4 168 B6R0.3 CN[C@H](C)C(=O)O AMY25382 [0,1,0,0,0,0|0,0,0]=1 169 B6R0.3 COC(=O)C(=N)N AM804117 [0,1,0,0,0,0|2,0,1]=4 170 B6R0.3 COC(=O)C(C)=O AMY40825 [0,1,0,0,0,0|1,0,1]=3 171 B6R0.3 COC(=O)C(F)F AMY3631 [0,1,0,0,0,0|2,0,0]=3 172 B6R0.3 COC(=O)[C@H](C)Br AMY21873 [0,1,0,0,0,0|1,0,0]=2 173 B6R0.3 COC(=O)[C@H](C)Cl AM81434 [0,1,0,0,0,0|1,0,0]=2 174 B6R0.3 COC(=O)[C@H](C)Cl AM81435 [0,1,0,0,0,0|1,0,0]=2 175 B6R0.3 COC(=O)[C@H](C)Cl AMY3875 [0,1,0,0,0,0|1,0,0]=2 176 B6R0.3 COC(=O)[C@H](C)N AM20080254 [0,1,0,0,0,0|1,0,0]=2 177 B6R0.3 COC(=O)[C@H](C)N AM20090283 [0,1,0,0,0,0|1,0,0]=2 178 B6R0.3 COC(=O)[C@H](C)N AM81485 [0,1,0,0,0,0|1,0,0]=2 179 B6R0.3 CON(C)C(C)=O AM1188 [0,1,0,0,0,0|2,0,0]=3 180 B6R0.3 CO[C@H](C)C(=O)O AM84813 [0,1,0,0,0,0|0,0,0]=1 181 B6R0.3 C[C@@H](CN)C(=O)O AMY22008 [0,1,0,0,0,0|0,0,0]=1 182 B6R0.3 C[C@@H](CO)C(=O)O AMY18825 [0,1,0,0,0,0|0,0,0]=1 183 B6R0.3 C[C@@H](O)[C@H](N)CO AMY22530 [0,1,0,0,0,0|2,0,1]=4 184 B6R0.3 C[C@H](C#N)C(=O)O AMY19783 [0,1,0,0,0,0|0,0,1]=2 185 B6R0.3 C\C=C(/C)C(C)=O AMY4030 [0,1,0,0,0,0|1,0,1]=3 186 B6R0.3 C\C=C(\C)C(=O)O AMY19230 [0,1,0,0,0,0|0,0,1]=2 187 B6R0.3 N#C[C@@H](N)C(N)=O AMY203 [0,1,0,0,0,0|2,0,1]=4 188 B6R0.3 NC(=O)C(N)CO AM806435 [0,1,0,0,0,0|2,0,0]=3 189 B6R0.3 NC(=O)[C@@H](N)CO AM20100594 [0,1,0,0,0,0|2,0,0]=3 190 B6R0.3 NC[C@H](N)C(=O)O AM20080367 [0,1,0,0,0,0|1,0,0]=2 191 B6R0.3 NC[C@H](N)C(=O)O AM20100354 [0,1,0,0,0,0|1,0,0]=2 192 B6R0.3 NC[C@H](N)C(=O)O AM20100470 [0,1,0,0,0,0|1,0,0]=2 193 B6R0.3 NC[C@H](O)C(=O)O AM1113 [0,1,0,0,0,0|1,0,0]=2 194 B6R0.3 NC[C@H](O)C(=O)O AM82574 [0,1,0,0,0,0|1,0,0]=2 195 B6R0.3 NNC(=O)C(F)F AMY7118 [0,1,0,0,0,0|3,0,0]=4 196 B6R0.3 N[C@@H](CCl)C(=O)O AMY22074 [0,1,0,0,0,0|1,0,0]=2 197 B6R0.3 N[C@@H](CCl)C(=O)O AMY22075 [0,1,0,0,0,0|1,0,0]=2 198 B6R0.3 N[C@@H](CO)C(=O)O AM20090412 [0,1,0,0,0,0|1,0,0]=2 199 B6R0.3 N[C@@H](CO)C(=O)O AM20090441 [0,1,0,0,0,0|1,0,0]=2 200 B6R0.3 N[C@@H](CO)C(=O)O AM20100375 [0,1,0,0,0,0|1,0,0]=2 201 B6R0.3 N[C@@H](CS)C(=O)O AM20070682 [0,1,0,0,0,0|1,0,0]=2 202 B6R0.3 N[C@@H](CS)C(=O)O AM81647 [0,1,0,0,0,0|1,0,0]=2 203 B6R0.3 N[C@@H](CS)C(=O)O AM81648 [0,1,0,0,0,0|1,0,0]=2 204 B6R0.3 N[C@@H](CS)C(=O)O AM81649 [0,1,0,0,0,0|1,0,0]=2 205 B6R0.3 N[C@@H](CS)C(=O)O AM81651 [0,1,0,0,0,0|1,0,0]=2 206 B6R0.3 N[C@H](CCl)C(=O)O AMY19767 [0,1,0,0,0,0|1,0,0]=2 207 B6R0.3 O=C(O)C(=O)CBr AM84337 [0,1,0,0,0,0|1,0,1]=3 208 B6R0.3 O=C(O)[C@@H](Br)CBr AM20100466 [0,1,0,0,0,0|1,0,0]=2 209 B6R0.7 C=C(Br)[Si](C)(C)C AMY1247 [0,1,0,0,0,0|2,1,0]=4 210 B6R0.7 CC(=O)C(C)(C)N AM806454 [0,1,0,0,0,0|1,0,0]=2 211 B6R0.7 CC(=O)C(C)(C)O AM84347 [0,1,0,0,0,0|1,0,0]=2 212 B6R0.7 CC(=O)C(F)(F)F AMY3622 [0,1,0,0,0,0|3,0,0]=4 213 B6R0.7 CC(C)(Br)C(=O)Br AM84723 [0,1,0,0,0,0|1,0,0]=2 214 B6R0.7 CC(C)(Br)C(=O)O AM20090161 [0,1,0,0,0,0|0,0,0]=1 215 B6R0.7 CC(C)(Br)C(N)=O AMY7268 [0,1,0,0,0,0|1,0,0]=2 216 B6R0.7 CC(C)(C)C(=N)N AM804113 [0,1,0,0,0,0|2,0,0]=3 217 B6R0.7 CC(C)(C)C(=N)N AMY25598 [0,1,0,0,0,0|2,0,0]=3 218 B6R0.7 CC(C)(C)C(N)=S AM20100553 [0,1,0,0,0,0|1,1,0]=3 219 B6R0.7 CC(C)(C)[S@@](N)=O AM20080353 [0,1,0,0,0,0|2,0,0]=3 220 B6R0.7 CC(C)(C)[S@@](N)=O AM62752 [0,1,0,0,0,0|2,0,0]=3 221 B6R0.7 CC(C)(C)[S@@](N)=O AM62767 [0,1,0,0,0,0|2,0,0]=3 222 B6R0.7 CC(C)(N)C(=O)O AM20100517 [0,1,0,0,0,0|0,0,0]=1 223 B6R0.7 CC(C)(N)C(N)=O AMY20154 [0,1,0,0,0,0|1,0,0]=2 224 B6R0.7 CC(C)C(C)(C)C AMY31971 [0,1,0,0,0,0|2,0,1]=4 225 B6R0.7 CC(C)[Si](C)(C)Cl AMY42251 [0,1,0,0,0,0|2,1,0]=4 226 B6R0.7 CC(F)(F)C(=O)O AMY1273 [0,1,0,0,0,0|1,0,0]=2 227 B6R0.7 CN(C)S(=O)(=O)Cl AM20080241 [0,1,0,0,0,0|2,0,1]=4 228 B6R0.7 CN(C)S(N)(=O)=O AM20100051 [0,1,0,0,0,0|2,0,1]=4 229 B6R0.7 C[SiH](C)C(C)(C)C AMY42267 [0,1,0,0,0,0|2,1,0]=4 230 B6R0.7 NC(=O)C(F)(F)F AMY3625 [0,1,0,0,0,0|3,0,0]=4 231 B6R0.7 O=C(Cl)C(F)(F)F AMY3623 [0,1,0,0,0,0|3,0,0]=4 232 B6R0.7 O=C(O)C(Br)(Br)Br AMY18080 [0,1,0,0,0,0|2,0,0]=3 233 B6R0.7 O=C(O)C(F)(F)Br AMY6892 [0,1,0,0,0,0|2,0,0]=3 234 B6R0.7 O=C(O)C(F)(F)Cl AMY3628 [0,1,0,0,0,0|2,0,0]=3 235 B6R0.7 O=C(O)C(F)(F)F AM10013 [0,1,0,0,0,0|2,0,0]=3 236 B6R0.7 O=C(O)C(F)(F)F AMY22314 [0,1,0,0,0,0|2,0,0]=3 237 B6R0.7 O=C(O)C(F)(F)F AMY35811 [0,1,0,0,0,0|2,0,0]=3 238 B6R0.7 O=C(O)C(F)(F)F AMY3605 [0,1,0,0,0,0|2,0,0]=3 239 B6R0.7 O=C([O-])C(F)(F)Br AMY6893 [0,1,0,0,0,0|2,0,1]=4 240 B6R0.7 O=C([O-])C(F)(F)Br AMY7112 [0,1,0,0,0,0|2,0,1]=4 241 B6R0.7 O=C([O-])C(F)(F)Cl AMY6799 [0,1,0,0,0,0|2,0,1]=4 242 B6R0.7 O=C([O-])C(F)(F)F AMY11767 [0,1,0,0,0,0|2,0,1]=4 243 B6R0.7 O=C([O-])C(F)(F)F AMY19734 [0,1,0,0,0,0|2,0,1]=4 244 B6R0.7 O=C([O-])C(F)(F)F AMY37341 [0,1,0,0,0,0|2,0,1]=4 245 B6R1.11 CC(=O)C1CC1 AM83286 [0,0,0,1,0,0|1,0,0]=2 246 B6R1.11 C[C@H](N)C1CC1 AM804149 [0,0,0,1,0,0|2,0,1]=4 247 B6R1.11 C[C@H](N)C1CC1 AM806511 [0,0,0,1,0,0|2,0,1]=4 248 B6R1.11 C[C@H](O)C1CC1 AM804334 [0,0,0,1,0,0|1,0,1]=3 249 B6R1.11 N=C(N)C1CC1 AM804064 [0,0,0,1,0,0|2,0,0]=3 250 B6R1.11 N=C(N)C1CC1 AMY202003285 [0,0,0,1,0,0|2,0,0]=3 251 B6R1.11 NC(=O)C1CC1 AM20100524 [0,0,0,1,0,0|1,0,0]=2 252 B6R1.11 NC(=O)[C@@H]1CN1 AMY19258 [0,0,0,1,0,0|2,0,0]=3 253 B6R1.11 NC(=S)C1CC1 AMY30195 [0,0,0,1,0,0|1,1,0]=3 254 B6R1.11 O=C(Cl)C1CC1 AMY3975 [0,0,0,1,0,0|1,0,0]=2 255 B6R1.11 O=C(O)C1CC1 AM83282 [0,0,0,1,0,0|0,0,0]=1 256 B6R1.11 O=C([O-])[C@@H]1CO1 AM85800 [0,0,0,1,0,0|1,0,1]=3 257 B6R1.11 O=[S@]([O-])C1CC1 AMY20620 [0,0,0,1,0,0|1,0,1]=3 258 B6R1.11 OB(O)C1CC1 AM20100093 [0,0,0,1,0,0|1,0,1]=3 259 B6R0.2 CC(=O)C=C(C)C AMY23356 [0,0,0,0,0,1|1,0,1]=3 260 B6R0.2 CC(=O)CC(C)C AMY11098 [0,0,0,0,0,1|1,0,0]=2 261 B6R0.2 CC(=O)NC(C)C AMY3785 [0,0,0,0,0,1|1,0,0]=2 262 B6R0.2 CC(=O)\C=C(\C)N AMY24718 [0,0,0,0,0,1|2,0,1]=4 263 B6R0.2 CC(=O)\C=C(\C)[O-] AMY11696 [0,0,0,0,0,1|2,0,1]=4 264 B6R0.2 CC(=O)\C=C(\C)[O-] AMY19683 [0,0,0,0,0,1|2,0,1]=4 265 B6R0.2 CC(=O)\C=C(\C)[O-] AMY41912 [0,0,0,0,0,1|2,0,1]=4 266 B6R0.2 CC(C)=CB(O)O AMY021 [0,0,0,0,0,1|1,0,2]=4 267 B6R0.2 CC(C)CB(O)O AM80872 [0,0,0,0,0,1|1,0,1]=3 268 B6R0.2 CC(C)CC(=O)O AMY40214 [0,0,0,0,0,1|0,0,0]=1 269 B6R0.2 CC(C)C[C@H](C)N AMY36830 [0,0,0,0,0,1|2,0,1]=4 270 B6R0.2 CC(C)NC(C)C AMY8971 [0,0,0,0,0,1|2,0,1]=4 271 B6R0.2 CC(C)OC(=O)Cl AMY3776 [0,0,0,0,0,1|1,0,0]=2 272 B6R0.2 CC(O)CC(=O)[O-] AMY10051 [0,0,0,0,0,1|1,0,1]=3 273 B6R0.2 CC(O)CC(=O)[O-] AMY10054 [0,0,0,0,0,1|1,0,1]=3 274 B6R0.2 CN(C)CC(=O)O AM20080064 [0,0,0,0,0,1|1,0,0]=2 275 B6R0.2 CN(C)CC(=O)O AM81799 [0,0,0,0,0,1|1,0,0]=2 276 B6R0.2 CN(C)CC(=O)[O-] AMY42162 [0,0,0,0,0,1|1,0,1]=3 277 B6R0.2 CN(C)CC(=O)[O-] AMY42163 [0,0,0,0,0,1|1,0,1]=3 278 B6R0.2 C[C@@H](O)CC(=O)O AMY24176 [0,0,0,0,0,1|1,0,0]=2 279 B6R0.2 C[C@@H](O)CN(C)C AMY16641 [0,0,0,0,0,1|2,0,1]=4 280 B6R0.2 C[C@H](N)CC(=O)O AM20100008 [0,0,0,0,0,1|1,0,0]=2 281 B6R0.2 C[C@H](N)CC(=O)O AM20100009 [0,0,0,0,0,1|1,0,0]=2 282 B6R0.2 C[C@H](N)CC(=O)O AM20100428 [0,0,0,0,0,1|1,0,0]=2 283 B6R0.2 C[C@H](N)CC(=O)O AM804090 [0,0,0,0,0,1|1,0,0]=2 284 B6R0.2 C[C@H](O)CC(=O)O AMY10050 [0,0,0,0,0,1|1,0,0]=2 285 B6R0.2 C[C@H](O)CC(=O)O AMY24175 [0,0,0,0,0,1|1,0,0]=2 286 B6R0.2 C[C@H](O)CC(=O)[O-] AM86469 [0,0,0,0,0,1|1,0,1]=3 287 B6R0.2 C[C@H](O)CC(=O)[O-] AMY10052 [0,0,0,0,0,1|1,0,1]=3 288 B6R0.2 C[C@H](O)CC(=O)[O-] AMY10055 [0,0,0,0,0,1|1,0,1]=3 289 B6R0.2 C[C@H](O)CN(C)C AMY13331 [0,0,0,0,0,1|2,0,1]=4 290 B6R0.2 C[S+](C)CC(=O)[O-] AM90363 [0,0,0,0,0,1|1,0,1]=3 291 B6R0.2 O=C(O)C=C(Cl)Cl AMY14156 [0,0,0,0,0,1|2,0,1]=4 292 B6R0.2 O=C(O)CC(=O)O AMY11201 [0,0,0,0,0,1|2,0,1]=4 293 B6R0.2 O=C(O)CC(F)F AMY6157 [0,0,0,0,0,1|2,0,0]=3 294 B3R0.1 C=CCN AMY22118 [2,0,0,0,0,0|2,0,0]=4 295 B3R0.1 CCCO AMY11110 [2,0,0,0,0,0|0,0,1]=3 296 B3R0.1 CCNN AM10026 [2,0,0,0,0,0|2,0,0]=4 297 B3R0.1 CCNN AMY202003286 [2,0,0,0,0,0|2,0,0]=4 298 B3R0.1 CCON AM90373 [2,0,0,0,0,0|2,0,0]=4 299 B3R0.1 C\C=C\Br AMY19968 [2,0,0,0,0,0|1,0,1]=4 300 B3R0.1 NNC=O AM9981 [2,0,0,0,0,0|2,0,0]=4 301 B3R0.1 OCCBr AMY39504 [2,0,0,0,0,0|1,0,1]=4 302 B3R0.1 OCCF AMY25659 [2,0,0,0,0,0|1,0,1]=4 303 B3R0.1 OCCO AMY22336 [2,0,0,0,0,0|1,0,1]=4 304 B3R0.2 C=C(C)Br AMY955 [2,0,0,0,0,0|1,0,1]=4 305 B3R0.2 C=C(C)[Mg+] AMY1042 [2,0,0,0,0,0|1,0,1]=4 306 B3R0.2 CC(=O)Br AMY21856 [2,0,0,0,0,0|1,0,0]=3 307 B3R0.2 CC(=O)O AMY21906 [2,0,0,0,0,0|0,0,0]=2 308 B3R0.2 CC(=O)O AMY41276 [2,0,0,0,0,0|0,0,0]=2 309 B3R0.2 CC(=O)[O-] AMY11747 [2,0,0,0,0,0|0,0,1]=3 310 B3R0.2 CC(=O)[O-] AMY1789 [2,0,0,0,0,0|0,0,1]=3 311 B3R0.2 CC(=O)[O-] AMY22485 [2,0,0,0,0,0|0,0,1]=3 312 B3R0.2 CC(=O)[O-] AMY22494 [2,0,0,0,0,0|0,0,1]=3 313 B3R0.2 CC(=O)[O-] AMY23396 [2,0,0,0,0,0|0,0,1]=3 314 B3R0.2 CC(=O)[O-] AMY23411 [2,0,0,0,0,0|0,0,1]=3 315 B3R0.2 CC(=O)[O-] AMY37172 [2,0,0,0,0,0|0,0,1]=3 316 B3R0.2 CC(=O)[O-] AMY9236 [2,0,0,0,0,0|0,0,1]=3 317 B3R0.2 CC(C)Br AMY37129 [2,0,0,0,0,0|1,0,0]=3 318 B3R0.2 CC(C)O AMY11029 [2,0,0,0,0,0|0,0,0]=2 319 B3R0.2 CC(C)[Mg+] AMY40195 [2,0,0,0,0,0|1,0,0]=3 320 B3R0.2 CC(C)[O-] AMY38606 [2,0,0,0,0,0|0,0,1]=3 321 B3R0.2 CC(C)[O-] AMY40472 [2,0,0,0,0,0|0,0,1]=3 322 B3R0.2 CP(C)C AMY19776 [2,0,0,0,0,0|1,0,1]=4 323 B3R0.2 CS(C)=O AMY14894 [2,0,0,0,0,0|1,0,0]=3 324 B3R0.2 C[PH](C)=O AM90266 [2,0,0,0,0,0|1,0,0]=3 325 B3R0.2 C[S+](C)C AMY12539 [2,0,0,0,0,0|1,0,1]=4 326 B3R0.2 C[S+](C)C AMY9344 [2,0,0,0,0,0|1,0,1]=4 327 B3R0.2 C[SiH](C)C AMY21899 [2,0,0,0,0,0|0,1,1]=4 328 B3R0.2 NC(N)=O AMY37159 [2,0,0,0,0,0|2,0,0]=4 329 B3R0.2 N[13C](N)=O AMY37002 [2,0,0,0,0,0|2,0,0]=4 330 B3R0.2 O=C([O-])O AMY40219 [2,0,0,0,0,0|1,0,0]=3 331 B3R0.2 O=C([O-])[O-] AMY31070 [2,0,0,0,0,0|1,0,1]=4 332 B5R0.1 C#CCC(=O)O AMY19285 [1,1,0,0,0,0|0,0,1]=3 333 B5R0.1 C=C(C)CCBr AMY7022 [1,1,0,0,0,0|2,0,0]=4 334 B5R0.1 C=CCC(C)=O AMY31929 [1,1,0,0,0,0|1,0,1]=4 335 B5R0.1 C=CC[C@H](C)N AM9152 [1,1,0,0,0,0|2,0,0]=4 336 B5R0.1 C=CC[C@H](C)O AM804193 [1,1,0,0,0,0|2,0,0]=4 337 B5R0.1 CC#CC(=O)Cl AMY41204 [1,1,0,0,0,0|1,0,1]=4 338 B5R0.1 CC#CC(=O)O AM90222 [1,1,0,0,0,0|0,0,1]=3 339 B5R0.1 CC(=O)CC#N AM86800 [1,1,0,0,0,0|1,0,1]=4 340 B5R0.1 CC(=O)CC#N AMY7035 [1,1,0,0,0,0|1,0,1]=4 341 B5R0.1 CC(=O)CCO AMY31061 [1,1,0,0,0,0|1,0,0]=3 342 B5R0.1 CC(=O)OCCl AMY28690 [1,1,0,0,0,0|2,0,0]=4 343 B5R0.1 CC(=O)\C=N\O AM806560 [1,1,0,0,0,0|1,0,1]=4 344 B5R0.1 CC(C)=CC=O AMY42093 [1,1,0,0,0,0|0,0,1]=3 345 B5R0.1 CC(C)=CCBr AMY21882 [1,1,0,0,0,0|1,0,1]=4 346 B5R0.1 CC(C)CNN AM806328 [1,1,0,0,0,0|1,0,1]=4 347 B5R0.1 CC(C)CNN AM9787 [1,1,0,0,0,0|1,0,1]=4 348 B5R0.1 CC(C)CON AMY31434 [1,1,0,0,0,0|0,0,1]=3 349 B5R0.1 CC(C)OCCl AMY23885 [1,1,0,0,0,0|1,0,1]=4 350 B5R0.1 CC(C)\C=N\O AMY37290 [1,1,0,0,0,0|0,0,0]=2 351 B5R0.1 CCCB(O)O AMY987 [1,1,0,0,0,0|1,0,1]=4 352 B5R0.1 CCCC(=N)N AM802888 [1,1,0,0,0,0|2,0,0]=4 353 B5R0.1 CCCC(=N)N AMY2389 [1,1,0,0,0,0|2,0,0]=4 354 B5R0.1 CCCC(C)=O AMY25524 [1,1,0,0,0,0|1,0,0]=3 355 B5R0.1 CCNC(=N)N AMY1900 [1,1,0,0,0,0|2,0,0]=4 356 B5R0.1 CCNC(C)C AMY13342 [1,1,0,0,0,0|1,0,1]=4 357 B5R0.1 CCNC(N)=S AMY18739 [1,1,0,0,0,0|1,1,0]=4 358 B5R0.1 CCOC(=S)[S-] AM20080300 [1,1,0,0,0,0|0,2,0]=4 359 B5R0.1 CCOC(C)=N AM90190 [1,1,0,0,0,0|2,0,0]=4 360 B5R0.1 CCOC(N)=O AM20100253 [1,1,0,0,0,0|1,0,0]=3 361 B5R0.1 CCO[PH](=O)[O-] AMY22458 [1,1,0,0,0,0|1,0,1]=4 362 B5R0.1 CCSC(C)=S AM90236 [1,1,0,0,0,0|1,1,0]=4 363 B5R0.1 CNCC(=O)O AM20080021 [1,1,0,0,0,0|0,0,0]=2 364 B5R0.1 CNCC(C)=O AM806508 [1,1,0,0,0,0|1,0,0]=3 365 B5R0.1 CNCC(N)=O AM82642 [1,1,0,0,0,0|1,0,0]=3 366 B5R0.1 COCC(=N)N AM20120573 [1,1,0,0,0,0|2,0,0]=4 367 B5R0.1 COCC(=O)Cl AMY40728 [1,1,0,0,0,0|1,0,0]=3 368 B5R0.1 COCC(=O)O AMY4059 [1,1,0,0,0,0|0,0,0]=2 369 B5R0.1 COC[C@@H](C)N AMY19545 [1,1,0,0,0,0|1,0,1]=4 370 B5R0.1 COC[C@H](C)O AM20100219 [1,1,0,0,0,0|1,0,1]=4 371 B5R0.1 CSCC(N)=O AMY10906 [1,1,0,0,0,0|1,0,0]=3 372 B5R0.1 C[C@@H](O)CCO AMY25740 [1,1,0,0,0,0|1,0,1]=4 373 B5R0.1 C[C@H](N)CCO AM84886 [1,1,0,0,0,0|1,0,1]=4 374 B5R0.1 C[C@H](N)CCO AM9719 [1,1,0,0,0,0|1,0,1]=4 375 B5R0.1 C[C@H](N)CCO AMY409 [1,1,0,0,0,0|1,0,1]=4 376 B5R0.1 C\C(Br)=C/CO AMY11209 [1,1,0,0,0,0|1,0,1]=4 377 B5R0.1 C\C=C\C(=O)O AMY11255 [1,1,0,0,0,0|0,0,1]=3 378 B5R0.1 C\C=C\C(C)=O AMY31928 [1,1,0,0,0,0|1,0,1]=4 379 B5R0.1 N#CCC(N)=O AM20080019 [1,1,0,0,0,0|1,0,1]=4 380 B5R0.1 NCCC(=O)O AM20080020 [1,1,0,0,0,0|0,0,0]=2 381 B5R0.1 NCCC(=O)O AMY22128 [1,1,0,0,0,0|0,0,0]=2 382 B5R0.1 NCCC(N)=O AM20100576 [1,1,0,0,0,0|1,0,0]=3 383 B5R0.1 NCCC(N)=O AMY6958 [1,1,0,0,0,0|1,0,0]=3 384 B5R0.1 NNCC(=O)O AMY202100023 [1,1,0,0,0,0|1,0,0]=3 385 B5R0.1 NOCC(=O)O AMY19484 [1,1,0,0,0,0|1,0,0]=3 386 B5R0.1 O=C(Cl)CCBr AM90184 [1,1,0,0,0,0|1,0,0]=3 387 B5R0.1 O=C(O)CCBr AM20100434 [1,1,0,0,0,0|0,0,0]=2 388 B5R0.1 O=C(O)CCF AM803932 [1,1,0,0,0,0|0,0,0]=2 389 B5R0.1 O=C(O)CCO AM85796 [1,1,0,0,0,0|0,0,0]=2 390 B5R0.1 O=C(O)CCS AMY27767 [1,1,0,0,0,0|0,0,0]=2 391 B5R0.1 O=C(O)\C=C/I AMY22685 [1,1,0,0,0,0|0,0,2]=4 392 B5R0.1 O=C(O)\C=C\I AM806037 [1,1,0,0,0,0|0,0,2]=4 393 B5R0.3 C#CC(=O)OC AMY7053 [1,1,0,0,0,0|0,0,2]=4 394 B5R0.3 C=C(CO)CO AM20090550 [1,1,0,0,0,0|2,0,0]=4 395 B5R0.3 C=CC(=O)CBr AMY31126 [1,1,0,0,0,0|2,0,0]=4 396 B5R0.3 C=C[C@@H](O)CC AMY851 [1,1,0,0,0,0|1,0,1]=4 397 B5R0.3 C=C[C@H](N)CO AMY14650 [1,1,0,0,0,0|2,0,0]=4 398 B5R0.3 CC(CBr)CBr AMY21213 [1,1,0,0,0,0|1,0,1]=4 399 B5R0.3 CC(CI)CI AMY32062 [1,1,0,0,0,0|1,0,1]=4 400 B5R0.3 CCC(=O)CC AMY11060 [1,1,0,0,0,0|1,0,0]=3 401 B5R0.3 CCC(=O)OC AMY21940 [1,1,0,0,0,0|0,0,0]=2 402 B5R0.3 CCN(O)CC AMY25658 [1,1,0,0,0,0|2,0,0]=4 403 B5R0.3 CC[C@@H](N)CO AM85835 [1,1,0,0,0,0|1,0,1]=4 404 B5R0.3 CC[C@@H](O)CN AMY6653 [1,1,0,0,0,0|1,0,1]=4 405 B5R0.3 CC[C@@H](O)CO AMY40578 [1,1,0,0,0,0|0,0,2]=4 406 B5R0.3 CC[C@H](C)CBr AMY28688 [1,1,0,0,0,0|1,0,1]=4 407 B5R0.3 CC[C@H](C)NN AM803011 [1,1,0,0,0,0|2,0,0]=4 408 B5R0.3 CC[C@H](C)NN AM9772 [1,1,0,0,0,0|2,0,0]=4 409 B5R0.3 CC[C@H](N)CO AM85834 [1,1,0,0,0,0|1,0,1]=4 410 B5R0.3 CC[C@H](N)CO AM85988 [1,1,0,0,0,0|1,0,1]=4 411 B5R0.3 CC[C@H](O)CO AMY40584 [1,1,0,0,0,0|0,0,2]=4 412 B5R0.3 CC\C(C)=N\O AM90385 [1,1,0,0,0,0|1,0,0]=3 413 B5R0.3 CN(C=O)C=O AMY39203 [1,1,0,0,0,0|1,0,1]=4 414 B5R0.3 CNC(=O)NN AMY42564 [1,1,0,0,0,0|2,0,0]=4 415 B5R0.3 COC(=O)C=O AMY1633 [1,1,0,0,0,0|1,0,1]=4 416 B5R0.3 COC(=O)CF AM20100155 [1,1,0,0,0,0|1,0,0]=3 417 B5R0.3 COC(=O)CN AM81785 [1,1,0,0,0,0|1,0,0]=3 418 B5R0.3 COC(=O)OC AMY37165 [1,1,0,0,0,0|1,0,0]=3 419 B5R0.3 COS(=O)OC AMY18046 [1,1,0,0,0,0|2,0,0]=4 420 B5R0.3 CO[C@@H](C)CN AMY21775 [1,1,0,0,0,0|1,0,1]=4 421 B5R0.3 C[C@@H](CO)CBr AMY14347 [1,1,0,0,0,0|0,0,1]=3 422 B5R0.3 NC(CO)CO AM20100310 [1,1,0,0,0,0|1,0,1]=4 423 B5R0.3 NC[C@H](F)CO AMY34391 [1,1,0,0,0,0|1,0,1]=4 424 B5R0.3 NC[C@H](O)CO AM20100501 [1,1,0,0,0,0|1,0,1]=4 425 B5R0.3 NC[C@H](O)CO AM20100602 [1,1,0,0,0,0|1,0,1]=4 426 B5R0.3 NC[C@H](O)CO AMY18546 [1,1,0,0,0,0|1,0,1]=4 427 B5R0.3 NNC(=O)CCl AMY39922 [1,1,0,0,0,0|2,0,0]=4 428 B5R0.3 NNC(=O)CO AM803763 [1,1,0,0,0,0|2,0,0]=4 429 B5R0.3 O=C(CBr)CBr AM85919 [1,1,0,0,0,0|2,0,0]=4 430 B5R0.3 O=C(CO)CBr AMY19754 [1,1,0,0,0,0|1,0,0]=3 431 B5R0.3 O=CC(Br)C=O AM20090162 [1,1,0,0,0,0|1,0,1]=4 432 B5R0.3 OC[C@H](Br)CBr AMY25826 [1,1,0,0,0,0|1,0,1]=4 433 B5R0.3 OC[C@H](O)CCl AM81448 [1,1,0,0,0,0|1,0,1]=4 434 B5R0.3 OC[C@H](O)CCl AM81449 [1,1,0,0,0,0|1,0,1]=4 435 B5R0.3 OC[C@H](O)CCl AMY21866 [1,1,0,0,0,0|1,0,1]=4 436 B5R0.4 C#CC(C)(C)Cl AMY19182 [1,1,0,0,0,0|1,0,1]=4 437 B5R0.4 C#CC(C)(C)F AMY30164 [1,1,0,0,0,0|1,0,1]=4 438 B5R0.4 C#CC(C)(C)N AMY19729 [1,1,0,0,0,0|1,0,1]=4 439 B5R0.4 C#CC(C)(C)O AMY3792 [1,1,0,0,0,0|1,0,1]=4 440 B5R0.4 C=CC(C)(C)O AMY3791 [1,1,0,0,0,0|1,0,0]=3 441 B5R0.4 C=C[Si](C)(C)C AMY1250 [1,1,0,0,0,0|1,1,0]=4 442 B5R0.4 CC(C)(C)C=O AMY14201 [1,1,0,0,0,0|0,0,0]=2 443 B5R0.4 CC(C)(C)CBr AMY020 [1,1,0,0,0,0|1,0,1]=4 444 B5R0.4 CC(C)(C)CCl AMY1168 [1,1,0,0,0,0|1,0,1]=4 445 B5R0.4 CC(C)(C)CI AMY25581 [1,1,0,0,0,0|1,0,1]=4 446 B5R0.4 CC(C)(C)CN AMY5183 [1,1,0,0,0,0|1,0,1]=4 447 B5R0.4 CC(C)(C)CO AMY18878 [1,1,0,0,0,0|0,0,1]=3 448 B5R0.4 CC(C)(C)NN AMY4095 [1,1,0,0,0,0|2,0,0]=4 449 B5R0.4 CC(C)(N)C#N AM20090129 [1,1,0,0,0,0|1,0,1]=4 450 B5R0.4 CC(C)(N)CN AMY14283 [1,1,0,0,0,0|1,0,1]=4 451 B5R0.4 CC(C)(N)CO AMY25550 [1,1,0,0,0,0|0,0,1]=3 452 B5R0.4 CC(C)(O)CCl AMY10400 [1,1,0,0,0,0|1,0,1]=4 453 B5R0.4 CC(C)(O)CN AM20090364 [1,1,0,0,0,0|1,0,1]=4 454 B5R0.4 CC(F)(F)CO AMY1243 [1,1,0,0,0,0|1,0,1]=4 455 B5R0.4 CCC(C)(C)O AMY11089 [1,1,0,0,0,0|1,0,1]=4 456 B5R0.4 CCC(C)(C)[O-] AMY33539 [1,1,0,0,0,0|1,0,1]=4 457 B5R0.4 CCS(N)(=O)=O AMY33485 [1,1,0,0,0,0|1,0,1]=4 458 B5R0.4 COC(C)(C)C AMY11032 [1,1,0,0,0,0|2,0,0]=4 459 B5R0.4 CP(C)(=O)CO AM10876 [1,1,0,0,0,0|1,0,1]=4 460 B5R0.4 C[Si](C)(C)CO AMY36454 [1,1,0,0,0,0|0,1,1]=4 461 B5R0.4 NCS(=O)(=O)O AMY8974 [1,1,0,0,0,0|2,0,0]=4 462 B5R0.4 O=CC(F)(F)F AMY7125 [1,1,0,0,0,0|2,0,0]=4 463 B7R0.2 C#CC(=O)OC(C)C AMY7054 [0,1,0,0,0,1|1,0,0]=3 464 B7R0.2 C=CC(=O)C=C(C)C AM806643 [0,1,0,0,0,1|1,0,1]=4 465 B7R0.2 C=CC(=O)NC(C)C AM84785 [0,1,0,0,0,1|1,0,0]=3 466 B7R0.2 CC(C)C[C@H](N)CO AM20100311 [0,1,0,0,0,1|1,0,1]=4 467 B7R0.2 CC(C)C[C@H](N)CO AM20100733 [0,1,0,0,0,1|1,0,1]=4 468 B7R0.2 CC(C)OC(=O)CN AM81795 [0,1,0,0,0,1|1,0,0]=3 469 B7R0.2 CC(C)OC(=O)CO AM20100526 [0,1,0,0,0,1|0,0,0]=2 470 B7R0.2 CCC(=O)CC(=O)O AM85448 [0,1,0,0,0,1|1,0,1]=4 471 B7R0.2 CC[C@H](C)NC(N)=O AMY7838 [0,1,0,0,0,1|1,0,0]=3 472 B7R0.2 CC[C@H](O)CC(=O)O AM85451 [0,1,0,0,0,1|1,0,0]=3 473 B7R0.2 CN(C)CC(=O)NN AM20120575 [0,1,0,0,0,1|2,0,0]=4 474 B7R0.2 COC(=O)C[C@H](C)O AM20090811 [0,1,0,0,0,1|1,0,0]=3 475 B7R0.2 COC(=O)C[C@H](C)O AM20100049 [0,1,0,0,0,1|1,0,0]=3 476 B7R0.2 COC(=O)C[C@H](C)O AMY3321 [0,1,0,0,0,1|1,0,0]=3 477 B7R0.2 COC(=O)\C=C(\C)F AMY36917 [0,1,0,0,0,1|1,0,1]=4 478 B7R0.2 COC(=O)\C=C(\C)N AM20080319 [0,1,0,0,0,1|1,0,1]=4 479 B7R0.2 C\C(C=O)=C/N(C)C AMY28718 [0,1,0,0,0,1|2,0,0]=4 480 B7R0.2 NC[C@@H](N)CC(=O)O AMY21992 [0,1,0,0,0,1|1,0,0]=3 481 B7R0.2 NC[C@H](N)CC(=O)O AMY21991 [0,1,0,0,0,1|1,0,0]=3 482 B7R0.2 N[C@H](CO)CC(=O)O AM20080465 [0,1,0,0,0,1|1,0,0]=3 483 B7R0.9 CC(=O)N[Si](C)(C)C AMY42260 [0,1,0,0,0,1|1,1,0]=4 484 B7R0.9 CC(=O)OC(C)(C)C AMY11033 [0,1,0,0,0,1|1,0,0]=3 485 B7R0.9 CC(C)(C)CB(O)O AMY054 [0,1,0,0,0,1|1,0,1]=4 486 B7R0.9 CC(C)(C)CC(=O)O AM20080023 [0,1,0,0,0,1|0,0,0]=2 487 B7R0.9 CC(C)(C)NC(N)=S AMY11605 [0,1,0,0,0,1|1,1,0]=4 488 B7R0.9 CC(C)(C)OC(N)=O AM20100123 [0,1,0,0,0,1|1,0,0]=3 489 B7R0.9 CC(C)(N)CC(=O)O AM20100529 [0,1,0,0,0,1|0,0,0]=2 490 B7R0.9 CC(C)(N)CC(=O)O AMY115 [0,1,0,0,0,1|0,0,0]=2 491 B7R0.9 CC(C)(N)CC(N)=O AMY120 [0,1,0,0,0,1|1,0,0]=3 492 B7R0.9 CC(C)(O)CC(=O)[O-] AMY39074 [0,1,0,0,0,1|0,0,1]=3 493 B7R0.9 CC(C)CC(C)(C)O AMY25737 [0,1,0,0,0,1|1,0,1]=4 494 B7R0.9 CC(C)CS(=O)(=O)Cl AMY3057 [0,1,0,0,0,1|1,0,1]=4 495 B7R0.9 CC(F)(F)CC(=O)O AMY6154 [0,1,0,0,0,1|1,0,0]=3 496 B7R0.9 CS(=O)(=O)CC(=O)O AMY14249 [0,1,0,0,0,1|2,0,0]=4 497 B7R0.9 C[N+](C)(C)CC(=O)[O-] AM90357 [0,1,0,0,0,1|1,0,1]=4 498 B7R0.9 C[N+](C)(C)CC(=O)[O-] AMY22129 [0,1,0,0,0,1|1,0,1]=4 499 B7R0.9 O=C(O)CC(F)(F)F AMY6809 [0,1,0,0,0,1|2,0,0]=4 500 B7R0.16 C=C(C)[C@@H](N)C(=O)O AMY23937 [0,1,0,0,0,1|0,0,2]=4 501 B7R0.16 CC(C)C(=O)C(=O)[O-] AMY37099 [0,1,0,0,0,1|0,0,1]=3 502 B7R0.16 CC(C)[C@H](Br)C(=O)O AMY13608 [0,1,0,0,0,1|0,0,0]=2 503 B7R0.16 CC(C)[C@H](Cl)C(=O)O AM9806 [0,1,0,0,0,1|0,0,0]=2 504 B7R0.16 CC(C)[C@H](N)C(=O)O AM82362 [0,1,0,0,0,1|0,0,0]=2 505 B7R0.16 CC(C)[C@H](N)C(=O)O AM82363 [0,1,0,0,0,1|0,0,0]=2 506 B7R0.16 CC(C)[C@H](N)C(=O)O AM82364 [0,1,0,0,0,1|0,0,0]=2 507 B7R0.16 CC(C)[C@H](N)C(N)=O AM82387 [0,1,0,0,0,1|1,0,0]=3 508 B7R0.16 CC(C)[C@H](O)C(=O)O AMY22056 [0,1,0,0,0,1|0,0,0]=2 509 B7R0.16 CC(O)C(N)C(=O)O AMY25310 [0,1,0,0,0,1|1,0,0]=3 510 B7R0.16 CN(C)C(=O)C(=O)O AM20090487 [0,1,0,0,0,1|1,0,0]=3 511 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O AM20100684 [0,1,0,0,0,1|1,0,0]=3 512 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O AM82240 [0,1,0,0,0,1|1,0,0]=3 513 B7R0.16 C[C@@H](O)[C@H](N)C(N)=O AM82268 [0,1,0,0,0,1|2,0,0]=4 514 B7R0.16 C[C@H](O)[C@H](N)C(=O)O AM20090281 [0,1,0,0,0,1|1,0,0]=3 515 B7R0.16 C[C@H](O)[C@H](N)C(=O)O AM82272 [0,1,0,0,0,1|1,0,0]=3 516 B7R0.5 C#CC[C@H](N)C(=O)O AM82632 [0,2,0,0,0,0|1,0,0]=3 517 B7R0.5 C=CC[C@H](C)C(=O)O AMY3846 [0,2,0,0,0,0|0,0,0]=2 518 B7R0.5 C=CC[C@H](N)C(=O)O AM82408 [0,2,0,0,0,0|1,0,0]=3 519 B7R0.5 C=CC[C@H](N)C(=O)O AM84669 [0,2,0,0,0,0|1,0,0]=3 520 B7R0.5 CC(C)C(=O)CC#N AM20090390 [0,2,0,0,0,0|1,0,0]=3 521 B7R0.5 CC(C)C(=O)OCCl AMY4056 [0,2,0,0,0,0|0,0,0]=2 522 B7R0.5 CC(C)N(C)CCO AMY9192 [0,2,0,0,0,0|2,0,0]=4 523 B7R0.5 CC(C)[C@@H](N)CCO AMY20244 [0,2,0,0,0,0|1,0,1]=4 524 B7R0.5 CCCC(=O)C(=O)O AMY6081 [0,2,0,0,0,0|1,0,1]=4 525 B7R0.5 CCC[C@H](C)B(O)O AM80876 [0,2,0,0,0,0|1,0,1]=4 526 B7R0.5 CCC[C@H](N)C(=O)O AM20090147 [0,2,0,0,0,0|1,0,0]=3 527 B7R0.5 CCC[C@H](N)C(=O)O AM20100599 [0,2,0,0,0,0|1,0,0]=3 528 B7R0.5 CCC[C@H](N)C(=O)O AM20100742 [0,2,0,0,0,0|1,0,0]=3 529 B7R0.5 CCOC(=O)C(C)=O AMY40824 [0,2,0,0,0,0|1,0,1]=4 530 B7R0.5 CCOC(=O)C(F)F AM20100159 [0,2,0,0,0,0|2,0,0]=4 531 B7R0.5 CCOC(=O)N(C)C AMY39284 [0,2,0,0,0,0|1,0,0]=3 532 B7R0.5 CCOC(=O)[C@@H](F)Br AM61520 [0,2,0,0,0,0|2,0,0]=4 533 B7R0.5 CCOC(=O)[C@@H](F)Cl AMY3056 [0,2,0,0,0,0|2,0,0]=4 534 B7R0.5 CCOC(=O)[C@H](C)Br AM20100315 [0,2,0,0,0,0|1,0,0]=3 535 B7R0.5 CCOC(=O)[C@H](C)Cl AMY4005 [0,2,0,0,0,0|1,0,0]=3 536 B7R0.5 CCOC(=O)[C@H](C)N AM20100508 [0,2,0,0,0,0|1,0,0]=3 537 B7R0.5 CCOC(=O)[C@H](C)N AM81486 [0,2,0,0,0,0|1,0,0]=3 538 B7R0.5 CCOC(=O)[C@H](C)N AM81487 [0,2,0,0,0,0|1,0,0]=3 539 B7R0.5 CN(C)C(=O)CC#N AMY38498 [0,2,0,0,0,0|2,0,0]=4 540 B7R0.5 CNC[C@H](N)C(=O)O AM86002 [0,2,0,0,0,0|1,0,0]=3 541 B7R0.5 CNC[C@H](N)C(=O)O AMY22064 [0,2,0,0,0,0|1,0,0]=3 542 B7R0.5 COC[C@@H](N)C(=O)O AMY25034 [0,2,0,0,0,0|1,0,0]=3 543 B7R0.5 COC[C@H](Cl)C(=O)O AMY11466 [0,2,0,0,0,0|1,0,0]=3 544 B7R0.5 COC[C@H](N)C(=O)O AM808146 [0,2,0,0,0,0|1,0,0]=3 545 B7R0.5 COC[C@H](N)C(=O)O AM808152 [0,2,0,0,0,0|1,0,0]=3 546 B7R0.5 COC[C@H](N)C(=O)O AM808173 [0,2,0,0,0,0|1,0,0]=3 547 B7R0.5 COC[C@H](N)C(C)C AM806372 [0,2,0,0,0,0|1,0,1]=4 548 B7R0.5 CSC[C@H](N)C(=O)O AM82581 [0,2,0,0,0,0|1,0,0]=3 549 B7R0.5 NCC[C@H](N)C(=O)O AM20090101 [0,2,0,0,0,0|1,0,0]=3 550 B7R0.5 NCC[C@H](N)C(=O)O AM20100596 [0,2,0,0,0,0|1,0,0]=3 551 B7R0.5 NCC[C@H](N)C(=O)O AM803354 [0,2,0,0,0,0|1,0,0]=3 552 B7R0.5 NCC[C@H](N)C(=O)O AM82466 [0,2,0,0,0,0|1,0,0]=3 553 B7R0.5 NCC[C@H](O)C(=O)O AM20100077 [0,2,0,0,0,0|1,0,0]=3 554 B7R0.5 N[C@@H](CCBr)C(=O)O AMY18828 [0,2,0,0,0,0|1,0,0]=3 555 B7R0.5 N[C@@H](CCBr)C(=O)O AMY4429 [0,2,0,0,0,0|1,0,0]=3 556 B7R0.5 N[C@@H](CCO)C(=O)O AM20100471 [0,2,0,0,0,0|1,0,0]=3 557 B7R0.5 N[C@@H](CCO)C(=O)O AM20100617 [0,2,0,0,0,0|1,0,0]=3 558 B7R0.5 N[C@@H](CCO)C(=O)O AM82563 [0,2,0,0,0,0|1,0,0]=3 559 B7R0.5 N[C@@H](CCS)C(=O)O AMY25680 [0,2,0,0,0,0|1,0,0]=3 560 B7R0.5 O=C(Cl)[C@@H](Br)CCBr AM20080598 [0,2,0,0,0,0|2,0,0]=4 561 B7R0.10 C=C(CBr)C(=O)OC AM20120603 [0,2,0,0,0,0|0,0,2]=4 562 B7R0.10 C=C(CCl)C(=O)OC AM20120602 [0,2,0,0,0,0|0,0,2]=4 563 B7R0.10 C=C(CO)C(=O)OC AM20120617 [0,2,0,0,0,0|0,0,2]=4 564 B7R0.10 CCC(=O)N(C)OC AM90011 [0,2,0,0,0,0|2,0,0]=4 565 B7R0.10 CCN(C)C(=O)CBr AM803019 [0,2,0,0,0,0|2,0,0]=4 566 B7R0.10 CC[C@@H](C)[C@@H](N)CO AM20090276 [0,2,0,0,0,0|1,0,1]=4 567 B7R0.10 CC[C@@H](O)C(=O)OC AMY31871 [0,2,0,0,0,0|1,0,0]=3 568 B7R0.10 CC[C@H](Br)C(=O)OC AM20090460 [0,2,0,0,0,0|1,0,0]=3 569 B7R0.10 CC[C@H](O)C(=O)OC AMY31876 [0,2,0,0,0,0|1,0,0]=3 570 B7R0.10 CNC(=O)[C@@H](N)CO AM86003 [0,2,0,0,0,0|2,0,0]=4 571 B7R0.10 CN[C@@H](C)C(=O)OC AM9231 [0,2,0,0,0,0|0,0,0]=2 572 B7R0.10 CN[C@@H](C)C(=O)OC AM9301 [0,2,0,0,0,0|0,0,0]=2 573 B7R0.10 COC(=O)C(=O)CBr AMY30900 [0,2,0,0,0,0|1,0,1]=4 574 B7R0.10 COC(=O)C(=O)OC AMY37133 [0,2,0,0,0,0|1,0,1]=4 575 B7R0.10 COC(=O)[C@@H](C)CBr AMY14329 [0,2,0,0,0,0|0,0,0]=2 576 B7R0.10 COC(=O)[C@@H](C)CO AMY14286 [0,2,0,0,0,0|0,0,0]=2 577 B7R0.10 COC(=O)[C@@H](F)CO AMY36965 [0,2,0,0,0,0|1,0,0]=3 578 B7R0.10 COC(=O)[C@@H](N)CO AM20100384 [0,2,0,0,0,0|1,0,0]=3 579 B7R0.10 COC(=O)[C@@H](N)CO AM20100431 [0,2,0,0,0,0|1,0,0]=3 580 B7R0.10 COC(=O)[C@@H](N)CO AM82213 [0,2,0,0,0,0|1,0,0]=3 581 B7R0.10 COC(=O)[C@@H](N)CS AM20090085 [0,2,0,0,0,0|1,0,0]=3 582 B7R0.10 COC(=O)[C@@H](N)CS AM20100664 [0,2,0,0,0,0|1,0,0]=3 583 B7R0.10 COC(=O)[C@@H](O)CO AMY30877 [0,2,0,0,0,0|1,0,0]=3 584 B7R0.10 COC(=O)[C@@H](O)CO AMY30888 [0,2,0,0,0,0|1,0,0]=3 585 B7R0.10 COC(=O)[C@H](C)C#N AMY3838 [0,2,0,0,0,0|0,0,1]=3 586 B7R0.10 COC(=O)[C@H](C)CBr AMY14235 [0,2,0,0,0,0|0,0,0]=2 587 B7R0.10 COC(=O)[C@H](C)CO AMY14231 [0,2,0,0,0,0|0,0,0]=2 588 B7R0.10 COC(=O)[C@H](C)OC AMY37763 [0,2,0,0,0,0|0,0,0]=2 589 B7R0.10 CON(C)C(=O)CCl AM20100624 [0,2,0,0,0,0|2,0,0]=4 590 B7R0.10 NNC(=O)[C@@H](N)CO AMY25339 [0,2,0,0,0,0|2,0,0]=4 591 B7R0.13 C#CC(C)(C)C(=O)O AMY39223 [0,2,0,0,0,0|0,0,0]=2 592 B7R0.13 CC(C)(C#N)C(=O)O AM807025 [0,2,0,0,0,0|0,0,0]=2 593 B7R0.13 CC(C)(CN)C(=O)O AMY286 [0,2,0,0,0,0|0,0,0]=2 594 B7R0.13 CC(C)(CN)C(N)=O AM20090472 [0,2,0,0,0,0|1,0,0]=3 595 B7R0.13 CC(C)(CO)C(=O)O AM90214 [0,2,0,0,0,0|0,0,0]=2 596 B7R0.13 CC(C)C(Cl)(Cl)C=O AMY39939 [0,2,0,0,0,0|1,0,1]=4 597 B7R0.13 CCC(C)(C)C(=O)Cl AMY25715 [0,2,0,0,0,0|1,0,0]=3 598 B7R0.13 CCC(F)(F)C(=O)O AMY6073 [0,2,0,0,0,0|1,0,0]=3 599 B7R0.13 CC[C@@](C)(N)C(=O)O AM10160 [0,2,0,0,0,0|0,0,0]=2 600 B7R0.13 CC[C@](C)(N)C(=O)O AM10150 [0,2,0,0,0,0|0,0,0]=2 601 B7R0.13 CC[C@](C)(N)C(=O)O AM85837 [0,2,0,0,0,0|0,0,0]=2 602 B7R0.13 C[C@](Br)(CBr)C(=O)O AMY799 [0,2,0,0,0,0|0,0,0]=2 603 B7R0.13 C[C@](O)(CBr)C(=O)O AMY38140 [0,2,0,0,0,0|0,0,0]=2 604 B7R0.13 NCC(F)(F)C(=O)O AMY25033 [0,2,0,0,0,0|1,0,0]=3 605 B7R0.14 CC(C)(C)C(=O)NN AM9992 [0,2,0,0,0,0|1,0,0]=3 606 B7R0.14 CC(C)(C)[C@@H](N)CO AMY13406 [0,2,0,0,0,0|1,0,1]=4 607 B7R0.14 CC(C)(C)[C@H](N)CO AMY206 [0,2,0,0,0,0|1,0,1]=4 608 B7R0.14 CC(C)(O)C(=O)NN AMY31454 [0,2,0,0,0,0|1,0,0]=3 609 B7R0.14 COC(=O)C(C)(Br)Br AMY36996 [0,2,0,0,0,0|1,0,0]=3 610 B7R0.14 COC(=O)C(C)(C)N AM20080383 [0,2,0,0,0,0|0,0,0]=2 611 B7R0.14 COC(=O)C(F)(F)Cl AM84474 [0,2,0,0,0,0|2,0,0]=4 612 B7R0.14 COC(=O)C(F)(F)F AMY3607 [0,2,0,0,0,0|2,0,0]=4 613 B7R0.14 COC(=S)C(C)(F)F AMY28734 [0,2,0,0,0,0|1,1,0]=4 614 B7R0.15 CCC(CC)C(=O)[O-] AMY41123 [0,2,0,0,0,0|0,0,1]=3 615 B7R0.15 CCN(CC)C(=O)Cl AMY25807 [0,2,0,0,0,0|2,0,0]=4 616 B7R0.15 CC[C@H](NC)C(=O)O AM9485 [0,2,0,0,0,0|0,0,0]=2 617 B7R0.15 CN[C@@H](CO)C(=O)O AM9151 [0,2,0,0,0,0|0,0,0]=2 618 B7R0.15 CN[C@@H](CO)C(=O)O AM9254 [0,2,0,0,0,0|0,0,0]=2 619 B7R0.15 CN[C@@H](CS)C(=O)O AM9159 [0,2,0,0,0,0|0,0,0]=2 620 B7R0.15 CN[C@@H](CS)C(=O)O AM9312 [0,2,0,0,0,0|0,0,0]=2 621 B7R0.15 O=C(O)C(CBr)CBr AMY15543 [0,2,0,0,0,0|0,0,0]=2 622 B7R0.17 CC(C)(O)C(C)(C)O AMY13235 [0,2,0,0,0,0|1,0,1]=4 623 B7R0.17 CC(C)(O)C(C)(C)O AMY41207 [0,2,0,0,0,0|1,0,1]=4 624 B5R1.2 BrC1COC1 AM20020035 [1,0,0,1,0,0|1,0,1]=4 625 B5R1.2 CC1CNC1 AM20120351 [1,0,0,1,0,0|1,0,1]=4 626 B5R1.2 C[C@H]1CCN1 AM806564 [1,0,0,1,0,0|2,0,0]=4 627 B5R1.2 ClC1COC1 AMY34839 [1,0,0,1,0,0|1,0,1]=4 628 B5R1.2 FC1COC1 AM20020027 [1,0,0,1,0,0|1,0,1]=4 629 B5R1.2 IC1COC1 AM20020026 [1,0,0,1,0,0|1,0,1]=4 630 B5R1.2 NC1COC1 AM20020021 [1,0,0,1,0,0|1,0,1]=4 631 B5R1.2 NC1COC1 AM85383 [1,0,0,1,0,0|1,0,1]=4 632 B5R1.2 N[C@@H]1CCO1 AMY1804 [1,0,0,1,0,0|1,0,1]=4 633 B5R1.2 O=C1CCC1 AM20070575 [1,0,0,1,0,0|1,0,0]=3 634 B5R1.2 O=C1CCN1 AMY18291 [1,0,0,1,0,0|1,0,0]=3 635 B5R1.2 O=C1CCO1 AM20020040 [1,0,0,1,0,0|0,0,0]=2 636 B5R1.2 O=C1CNC1 AM20090048 [1,0,0,1,0,0|2,0,0]=4 637 B5R1.2 O=C1CNC1 AM20100329 [1,0,0,1,0,0|2,0,0]=4 638 B5R1.2 O=C1COC1 AM20020042 [1,0,0,1,0,0|2,0,0]=4 639 B5R1.2 O=C1CSC1 AM20090216 [1,0,0,1,0,0|2,0,0]=4 640 B5R1.2 OC1CCC1 AM803645 [1,0,0,1,0,0|1,0,1]=4 641 B5R1.2 OC1COC1 AM20020046 [1,0,0,1,0,0|1,0,1]=4 642 B5R1.2 SC1COC1 AMY33758 [1,0,0,1,0,0|1,0,1]=4 643 B5R1.3 BrCC1CC1 AM90231 [1,0,0,1,0,0|1,0,1]=4 644 B5R1.3 C#CC1CC1 AM20100625 [1,0,0,1,0,0|1,0,1]=4 645 B5R1.3 C=C[C@@H]1CO1 AMY40815 [1,0,0,1,0,0|2,0,0]=4 646 B5R1.3 CNC1CC1 AM20100262 [1,0,0,1,0,0|2,0,0]=4 647 B5R1.3 CNC1CC1 AM20100622 [1,0,0,1,0,0|2,0,0]=4 648 B5R1.3 ClCC1CC1 AM20100440 [1,0,0,1,0,0|1,0,1]=4 649 B5R1.3 ICC1CC1 AMY6123 [1,0,0,1,0,0|1,0,1]=4 650 B5R1.3 N#CC1CC1 AMY3403 [1,0,0,1,0,0|1,0,1]=4 651 B5R1.3 NCC1CC1 AM61420 [1,0,0,1,0,0|1,0,1]=4 652 B5R1.3 NNC1CC1 AM10015 [1,0,0,1,0,0|2,0,0]=4 653 B5R1.3 O=CC1CC1 AM90182 [1,0,0,1,0,0|0,0,0]=2 654 B5R1.3 OCC1CC1 AM20090298 [1,0,0,1,0,0|0,0,1]=3 655 B5R1.3 OC[C@H]1CO1 AM20100365 [1,0,0,1,0,0|1,0,1]=4 656 B5R1.3 OC[C@H]1CO1 AM20100474 [1,0,0,1,0,0|1,0,1]=4 657 B5R1.3 OC[C@H]1CO1 AM81447 [1,0,0,1,0,0|1,0,1]=4 658 B5R1.4 CC1CC1N AM806543 [1,0,0,1,0,0|1,0,1]=4 659 B5R1.4 CC1CC1N AM806563 [1,0,0,1,0,0|1,0,1]=4 660 B5R1.4 C[C@H]1C[C@H]1F AMY5813 [1,0,0,1,0,0|1,0,1]=4 661 B5R1.5 CC1(O)CC1 AMY38664 [1,0,0,1,0,0|1,0,1]=4 662 B7R1.2 CC1=NC(=O)ON1 AM20080700 [0,0,0,1,0,1|1,0,1]=4 663 B7R1.2 CN1CCC(=O)C1 AM20100632 [0,0,0,1,0,1|2,0,0]=4 664 B7R1.2 CN1CCC(=O)C1 AMY25051 [0,0,0,1,0,1|2,0,0]=4 665 B7R1.2 C[C@@H]1CCC(=O)N1 AMY37338 [0,0,0,1,0,1|1,0,0]=3 666 B7R1.2 C[C@@H]1CNC(=O)C1 AMY34987 [0,0,0,1,0,1|1,0,0]=3 667 B7R1.2 C[C@H]1CCC(=O)C1 AMY3874 [0,0,0,1,0,1|1,0,0]=3 668 B7R1.2 C[C@H]1CCC(=O)N1 AMY23794 [0,0,0,1,0,1|1,0,0]=3 669 B7R1.2 C[C@H]1CNC(=O)C1 AMY35747 [0,0,0,1,0,1|1,0,0]=3 670 B7R1.2 C[C@H]1CNC(=O)O1 AMY3772 [0,0,0,1,0,1|1,0,0]=3 671 B7R1.2 N[C@@H]1CNC(=O)C1 AMY34929 [0,0,0,1,0,1|2,0,0]=4 672 B7R1.2 N[C@@H]1COC(=O)C1 AMY22231 [0,0,0,1,0,1|1,0,0]=3 673 B7R1.2 N[C@H]1COC(=O)C1 AMY18836 [0,0,0,1,0,1|1,0,0]=3 674 B7R1.2 O=C1CC[C@H](O)C1 AMY33737 [0,0,0,1,0,1|2,0,0]=4 675 B7R1.2 O=C1C[C@H](O)CN1 AM20090229 [0,0,0,1,0,1|2,0,0]=4 676 B7R1.2 O=C1C[C@H](O)CN1 AM20100631 [0,0,0,1,0,1|2,0,0]=4 677 B7R1.2 O=C1C[C@H](O)CN1 AMY22949 [0,0,0,1,0,1|2,0,0]=4 678 B7R1.2 O=C1C[C@H](O)CO1 AMY4221 [0,0,0,1,0,1|1,0,0]=3 679 B7R1.2 O=C1OC[C@H](Cl)O1 AMY19473 [0,0,0,1,0,1|1,0,0]=3 680 B7R1.12 CC1CC1C(=O)O AM803649 [0,0,0,1,0,1|0,0,0]=2 681 B7R1.12 CC1CC1C(N)=O AMY5644 [0,0,0,1,0,1|1,0,0]=3 682 B7R1.12 C[C@@H]1C[C@H]1C(=O)O AMY35644 [0,0,0,1,0,1|0,0,0]=2 683 B7R1.12 O=C(O)C1CC1F AMY5778 [0,0,0,1,0,1|1,0,0]=3 684 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F AMY5475 [0,0,0,1,0,1|1,0,0]=3 685 B7R1.12 O=C(O)[C@H]1C[C@@H]1F AM85620 [0,0,0,1,0,1|1,0,0]=3 686 B7R1.12 O=C(O)[C@H]1C[C@@H]1F AM85621 [0,0,0,1,0,1|1,0,0]=3 687 B7R1.12 O=C(O)[C@H]1C[C@H]1F AM85536 [0,0,0,1,0,1|1,0,0]=3 688 B7R1.12 O=C(O)[C@H]1C[C@H]1I AMY5812 [0,0,0,1,0,1|1,0,0]=3 689 B7R1.20 CC(=O)CC1CC1 AM20100099 [0,0,0,1,0,1|1,0,0]=3 690 B7R1.20 O=C(O)CC1CC1 AM20100289 [0,0,0,1,0,1|0,0,0]=2 691 B7R1.4 C=C1CCOC1=O AMY7315 [0,1,0,1,0,0|0,0,2]=4 692 B7R1.4 CC1CNCC1O AM806548 [0,1,0,1,0,0|1,0,1]=4 693 B7R1.4 CN1CCCC1=O AM20110252 [0,1,0,1,0,0|2,0,0]=4 694 B7R1.4 C[C@@H]1SCCC1=O AMY23233 [0,1,0,1,0,0|1,0,0]=3 695 B7R1.4 C[C@H]1CCCC1=O AM84338 [0,1,0,1,0,0|1,0,0]=3 696 B7R1.4 C[C@H]1CCOC1=O AM20090007 [0,1,0,1,0,0|0,0,0]=2 697 B7R1.4 N[C@@H]1CCOC1=O AMY22572 [0,1,0,1,0,0|1,0,0]=3 698 B7R1.4 N[C@H]1CCNC1=O AM20130022 [0,1,0,1,0,0|2,0,0]=4 699 B7R1.4 N[C@H]1CCNC1=O AMY15667 [0,1,0,1,0,0|2,0,0]=4 700 B7R1.4 N[C@H]1CCOC1=O AM20090203 [0,1,0,1,0,0|1,0,0]=3 701 B7R1.4 N[C@H]1CCOC1=O AMY21622 [0,1,0,1,0,0|1,0,0]=3 702 B7R1.4 N[C@H]1CCSC1=O AMY25724 [0,1,0,1,0,0|1,1,0]=4 703 B7R1.4 N[C@H]1CONC1=O AM20100628 [0,1,0,1,0,0|1,0,0]=3 704 B7R1.4 O=C1CCC[C@@H]1Br AM20090204 [0,1,0,1,0,0|2,0,0]=4 705 B7R1.4 O=C1NCC[C@@H]1O AM20080386 [0,1,0,1,0,0|2,0,0]=4 706 B7R1.4 O=C1NCC[C@@H]1O AM20090532 [0,1,0,1,0,0|2,0,0]=4 707 B7R1.4 O=C1NCC[C@H]1O AMY14450 [0,1,0,1,0,0|2,0,0]=4 708 B7R1.4 O=C1OCC[C@@H]1Br AM20100243 [0,1,0,1,0,0|1,0,0]=3 709 B7R1.17 O=C1CCC1(F)F AMY42507 [0,1,0,1,0,0|2,0,0]=4 710 B7R1.18 C[C@H](O)C1CCC1 AMY16099 [0,1,0,1,0,0|1,0,1]=4 711 B7R1.18 C[C@H](O)C1CNC1 AMY34523 [0,1,0,1,0,0|1,0,1]=4 712 B7R1.18 C[C@H](O)C1COC1 AMY35807 [0,1,0,1,0,0|1,0,1]=4 713 B7R1.18 NC(=O)C1CCC1 AMY32785 [0,1,0,1,0,0|1,0,0]=3 714 B7R1.18 NC(=O)C1CNC1 AM20100716 [0,1,0,1,0,0|1,0,0]=3 715 B7R1.18 NC(=O)C1CNC1 AMY34027 [0,1,0,1,0,0|1,0,0]=3 716 B7R1.18 NC(=O)[C@@H]1CCN1 AMY38555 [0,1,0,1,0,0|1,0,0]=3 717 B7R1.18 O=C(O)C1CCC1 AM62800 [0,1,0,1,0,0|0,0,0]=2 718 B7R1.18 O=C(O)C1CNC1 AM20090582 [0,1,0,1,0,0|0,0,0]=2 719 B7R1.18 O=C(O)C1CNC1 AMY4825 [0,1,0,1,0,0|0,0,0]=2 720 B7R1.18 O=C(O)C1COC1 AM84264 [0,1,0,1,0,0|0,0,0]=2 721 B7R1.18 O=C(O)C1CSC1 AM20100754 [0,1,0,1,0,0|0,0,0]=2 722 B7R1.18 O=C(O)[C@@H]1CCN1 AM20090145 [0,1,0,1,0,0|0,0,0]=2 723 B7R1.18 O=C(O)[C@@H]1CCN1 AM20090185 [0,1,0,1,0,0|0,0,0]=2 724 B7R1.18 O=C(O)[C@@H]1CCN1 AM20100766 [0,1,0,1,0,0|0,0,0]=2 725 B7R1.18 O=C(O)[C@@H]1CCO1 AM20020050 [0,1,0,1,0,0|0,0,0]=2 726 B7R1.18 O=[N+]([O-])C1CCC1 AMY18168 [0,1,0,1,0,0|1,0,1]=4 727 B7R1.18 OB(O)C1CCC1 AMY30001 [0,1,0,1,0,0|1,0,1]=4 728 B7R1.19 CC(=O)C1(C)CC1 AMY37296 [0,1,0,1,0,0|1,0,0]=3 729 B7R1.19 CC(=O)C1(Cl)CC1 AMY11210 [0,1,0,1,0,0|1,0,0]=3 730 B7R1.19 CC1(C(=O)O)CC1 AM804235 [0,1,0,1,0,0|0,0,0]=2 731 B7R1.19 NC(=O)C1(Br)CC1 AMY942 [0,1,0,1,0,0|1,0,0]=3 732 B7R1.19 NC1(C(=O)O)CC1 AM20090214 [0,1,0,1,0,0|0,0,0]=2 733 B7R1.19 NC1(C(=O)O)CC1 AMY940 [0,1,0,1,0,0|0,0,0]=2 734 B7R1.19 O=C(O)C1(Br)CC1 AMY1023 [0,1,0,1,0,0|0,0,0]=2 735 B7R1.19 O=C(O)C1(F)CC1 AM803184 [0,1,0,1,0,0|0,0,0]=2 736 B7R1.19 O=C(O)C1(O)CC1 AM85636 [0,1,0,1,0,0|0,0,0]=2 737 B7R1.22 CCC(=O)C1CC1 AMY12334 [0,1,0,1,0,0|1,0,0]=3 738 B7R1.22 COC(=O)C1CC1 AM20090368 [0,1,0,1,0,0|0,0,0]=2 739 B7R1.22 COC(=O)[C@@H]1CN1 AMY32035 [0,1,0,1,0,0|1,0,0]=3 740 B7R1.22 COC(=O)[C@@H]1CO1 AMY42223 [0,1,0,1,0,0|1,0,0]=3 741 B7R1.22 COC(=O)[C@H]1CO1 AMY31968 [0,1,0,1,0,0|1,0,0]=3 742 B7R1.22 C\C(=N\O)C1CC1 AM87026 [0,1,0,1,0,0|1,0,0]=3 743 B7R1.22 NC(=NO)C1CC1 AM85797 [0,1,0,1,0,0|1,0,0]=3 744 B7R1.22 NNC(=O)C1CC1 AM20100651 [0,1,0,1,0,0|1,0,0]=3 745 B7R1.22 N[C@@H](CO)C1CC1 AM9186 [0,1,0,1,0,0|1,0,1]=4 746 B7R1.22 O=C(CBr)C1CC1 AM87146 [0,1,0,1,0,0|1,0,0]=3 747 B7R1.22 O=CC(=O)C1CC1 AM87069 [0,1,0,1,0,0|0,0,1]=3 748 B7R1.26 NS(=O)(=O)C1CC1 AM20080396 [0,1,0,1,0,0|1,0,1]=4 749 B7R1.26 O=S(=O)(Cl)C1CC1 AM20080295 [0,1,0,1,0,0|1,0,1]=4 750 B7R0.6 CC(=O)CCC(=O)O AM20080171 [0,0,0,0,0,2|1,0,1]=4 751 B7R0.6 CC(=O)NCC(=O)O AM81782 [0,0,0,0,0,2|1,0,1]=4 752 B7R0.6 CC(=O)OCC(=O)O AMY3826 [0,0,0,0,0,2|1,0,1]=4 753 B7R0.6 CC(=O)\C=C\N(C)C AMY31395 [0,0,0,0,0,2|2,0,0]=4 754 B7R0.6 CC(C)C=C[N+](=O)[O-] AM806526 [0,0,0,0,0,2|1,0,1]=4 755 B7R0.6 CC(C)CCB(O)O AM90168 [0,0,0,0,0,2|1,0,1]=4 756 B7R0.6 CC(C)CCC(=O)Cl AMY33518 [0,0,0,0,0,2|1,0,0]=3 757 B7R0.6 CC(C)NCC(=O)Cl AM87903 [0,0,0,0,0,2|1,0,0]=3 758 B7R0.6 CC(C)OCC(=O)O AMY4704 [0,0,0,0,0,2|0,0,0]=2 759 B7R0.6 CN(C)CCC(=O)O AM86616 [0,0,0,0,0,2|1,0,0]=3