0 B4R0.1 C#CC(=O)O AMY7000 [0,0,0,0,0,0|2,0,2]=4 1 B4R0.1 C#C[C@@H](C)O AMY24232 [0,0,0,0,0,0|1,0,1]=2 2 B4R0.1 C#C[C@H](C)Br AMY12092 [0,0,0,0,0,0|2,0,1]=3 3 B4R0.1 C#C[C@H](C)N AM806670 [0,0,0,0,0,0|2,0,1]=3 4 B4R0.1 C#C[C@H](C)O AMY34392 [0,0,0,0,0,0|1,0,1]=2 5 B4R0.1 C=C(C)C=O AMY28760 [0,0,0,0,0,0|2,0,2]=4 6 B4R0.1 C=C(C)CBr AM85592 [0,0,0,0,0,0|2,0,1]=3 7 B4R0.1 C=C(C)CN AMY13356 [0,0,0,0,0,0|1,0,1]=2 8 B4R0.1 C=C(Cl)CCl AMY4111 [0,0,0,0,0,0|2,0,2]=4 9 B4R0.1 C=C=C(C)C AMY42296 [0,0,0,0,0,0|2,0,2]=4 10 B4R0.1 C=CC(=C)C AMY37001 [0,0,0,0,0,0|2,0,2]=4 11 B4R0.1 C=C[C@H](C)Cl AMY617 [0,0,0,0,0,0|2,0,1]=3 12 B4R0.1 C=C[C@H](C)O AMY1257 [0,0,0,0,0,0|1,0,1]=2 13 B4R0.1 CC(=N)NO AMY18111 [0,0,0,0,0,0|3,0,1]=4 14 B4R0.1 CC(=O)C#N AMY39183 [0,0,0,0,0,0|0,0,4]=4 15 B4R0.1 CC(=O)CBr AM85840 [0,0,0,0,0,0|1,0,2]=3 16 B4R0.1 CC(=O)CN AMY15017 [0,0,0,0,0,0|0,0,2]=2 17 B4R0.1 CC(=O)CN AMY25062 [0,0,0,0,0,0|0,0,2]=2 18 B4R0.1 CC(=O)NN AM20080014 [0,0,0,0,0,0|1,0,2]=3 19 B4R0.1 CC(=O)NO AM20100343 [0,0,0,0,0,0|2,0,2]=4 20 B4R0.1 CC(C)=CBr AM85707 [0,0,0,0,0,0|2,0,2]=4 21 B4R0.1 CC(C)=NN AM9761 [0,0,0,0,0,0|2,0,1]=3 22 B4R0.1 CC(C)=NO AM90369 [0,0,0,0,0,0|3,0,1]=4 23 B4R0.1 CC(C)CBr AMY25783 [0,0,0,0,0,0|2,0,0]=2 24 B4R0.1 CC(C)NN AM20090002 [0,0,0,0,0,0|2,0,0]=2 25 B4R0.1 CC(C)NN AMY202003297 [0,0,0,0,0,0|2,0,0]=2 26 B4R0.1 CC(C)ON AM90376 [0,0,0,0,0,0|2,0,0]=2 27 B4R0.1 CCB(O)O AM80871 [0,0,0,0,0,0|3,0,0]=3 28 B4R0.1 CCC(=N)N AM803843 [0,0,0,0,0,0|3,0,1]=4 29 B4R0.1 CCC(=O)Cl AMY4112 [0,0,0,0,0,0|2,0,2]=4 30 B4R0.1 CCC(=O)O AMY4114 [0,0,0,0,0,0|2,0,1]=3 31 B4R0.1 CCC(=O)[O-] AMY22300 [0,0,0,0,0,0|2,0,2]=4 32 B4R0.1 CCC(=O)[O-] AMY37013 [0,0,0,0,0,0|2,0,2]=4 33 B4R0.1 CCC(C)[O-] AMY22246 [0,0,0,0,0,0|1,0,1]=2 34 B4R0.1 CCC(N)=S AMY39288 [0,0,0,0,0,0|2,1,1]=4 35 B4R0.1 CCN(C)C AMY13339 [0,0,0,0,0,0|3,0,0]=3 36 B4R0.1 CC[C@H](C)O AMY11001 [0,0,0,0,0,0|1,0,0]=1 37 B4R0.1 CC[S@](=O)[O-] AMY15674 [0,0,0,0,0,0|3,0,1]=4 38 B4R0.1 CN(C)C=S AMY40664 [0,0,0,0,0,0|3,0,1]=4 39 B4R0.1 CN(C)CCl AMY39211 [0,0,0,0,0,0|3,0,0]=3 40 B4R0.1 CNC(C)=O AMY4115 [0,0,0,0,0,0|2,0,2]=4 41 B4R0.1 CNC(C)C AMY13353 [0,0,0,0,0,0|3,0,0]=3 42 B4R0.1 COC(Cl)Cl AMY31937 [0,0,0,0,0,0|4,0,0]=4 43 B4R0.1 C[C@@H](Cl)CO AMY21413 [0,0,0,0,0,0|2,0,0]=2 44 B4R0.1 C[C@@H](N)CN AMY3648 [0,0,0,0,0,0|1,0,0]=1 45 B4R0.1 C[C@H](Br)C#N AMY39192 [0,0,0,0,0,0|1,0,2]=3 46 B4R0.1 C[C@H](Cl)CO AMY21357 [0,0,0,0,0,0|2,0,0]=2 47 B4R0.1 C[C@H](N)C#N AM9634 [0,0,0,0,0,0|1,0,2]=3 48 B4R0.1 C[C@H](N)CN AMY3672 [0,0,0,0,0,0|1,0,0]=1 49 B4R0.1 C[C@H](N)CO AM20090557 [0,0,0,0,0,0|2,0,0]=2 50 B4R0.1 C[C@H](N)CO AM20100507 [0,0,0,0,0,0|2,0,0]=2 51 B4R0.1 C[C@H](O)CN AM20090353 [0,0,0,0,0,0|0,0,0]=0 52 B4R0.1 C[C@H](O)CN AM20100779 [0,0,0,0,0,0|0,0,0]=0 53 B4R0.1 C[C@H](O)CN AM81450 [0,0,0,0,0,0|0,0,0]=0 54 B4R0.1 FC(F)CCl AMY6873 [0,0,0,0,0,0|3,0,0]=3 55 B4R0.1 FC(F)CI AMY20040 [0,0,0,0,0,0|3,0,0]=3 56 B4R0.1 F[C@@H](Br)CBr AMY6863 [0,0,0,0,0,0|3,0,0]=3 57 B4R0.1 N#CC(Cl)Cl AMY3929 [0,0,0,0,0,0|2,0,2]=4 58 B4R0.1 N=C(N)NN AMY40484 [0,0,0,0,0,0|3,0,1]=4 59 B4R0.1 N=C(N)NN AMY873 [0,0,0,0,0,0|3,0,1]=4 60 B4R0.1 NC(=O)CBr AM85872 [0,0,0,0,0,0|2,0,2]=4 61 B4R0.1 NC(=O)CCl AMY4113 [0,0,0,0,0,0|2,0,2]=4 62 B4R0.1 NCC(=O)O AM81781 [0,0,0,0,0,0|1,0,1]=2 63 B4R0.1 NCC(=O)[O-] AMY37022 [0,0,0,0,0,0|1,0,2]=3 64 B4R0.1 NCC(F)F AMY7132 [0,0,0,0,0,0|2,0,0]=2 65 B4R0.1 NCC(N)=O AM20080473 [0,0,0,0,0,0|1,0,2]=3 66 B4R0.1 NCC(N)=O AMY20517 [0,0,0,0,0,0|1,0,2]=3 67 B4R0.1 NCC(N)=O AMY22705 [0,0,0,0,0,0|1,0,2]=3 68 B4R0.1 NNC(N)=S AM20100785 [0,0,0,0,0,0|2,1,1]=4 69 B4R0.1 O=C(Br)CBr AMY21867 [0,0,0,0,0,0|2,0,2]=4 70 B4R0.1 O=C(Cl)CBr AMY13645 [0,0,0,0,0,0|2,0,2]=4 71 B4R0.1 O=C(Cl)CCl AMY40193 [0,0,0,0,0,0|2,0,2]=4 72 B4R0.1 O=C([O-])CS AMY25320 [0,0,0,0,0,0|2,0,2]=4 73 B4R0.1 O=CC(=O)O AMY40947 [0,0,0,0,0,0|2,0,2]=4 74 B4R0.1 O=[N+]([O-])CBr AMY33516 [0,0,0,0,0,0|3,0,1]=4 75 B4R0.1 OCC(F)F AMY3957 [0,0,0,0,0,0|3,0,0]=3 76 B4R0.1 [Li]CC(C)C AMY14929 [0,0,0,0,0,0|2,0,0]=2 77 B4R0.1 [Li][C@@H](C)CC AMY14890 [0,0,0,0,0,0|2,0,0]=2 78 B3R0.1 BrCCBr AMY25519 [1,0,0,0,0,0|2,0,0]=3 79 B3R0.1 C#CCBr AM85466 [1,0,0,0,0,0|1,0,2]=4 80 B3R0.1 C#CCN AM86798 [1,0,0,0,0,0|0,0,2]=3 81 B3R0.1 C#CCN AMY22227 [1,0,0,0,0,0|0,0,2]=3 82 B3R0.1 C=CCN AMY22118 [1,0,0,0,0,0|0,0,2]=3 83 B3R0.1 CC#C[Mg+] AMY1254 [1,0,0,0,0,0|1,0,2]=4 84 B3R0.1 CCCO AMY11110 [1,0,0,0,0,0|1,0,0]=2 85 B3R0.1 CCNN AM10026 [1,0,0,0,0,0|1,0,0]=2 86 B3R0.1 CCNN AMY202003286 [1,0,0,0,0,0|1,0,0]=2 87 B3R0.1 CCON AM90373 [1,0,0,0,0,0|1,0,0]=2 88 B3R0.1 CN=C=S AMY11073 [1,0,0,0,0,0|2,0,1]=4 89 B3R0.1 CNOC AM20100609 [1,0,0,0,0,0|3,0,0]=4 90 B3R0.1 CSSC AMY39506 [1,0,0,0,0,0|3,0,0]=4 91 B3R0.1 C[Se][Se]C AMY31938 [1,0,0,0,0,0|3,0,0]=4 92 B3R0.1 C\C=C\Br AMY19968 [1,0,0,0,0,0|1,0,2]=4 93 B3R0.1 ClCCBr AMY25520 [1,0,0,0,0,0|2,0,0]=3 94 B3R0.1 ClCCCl AMY33455 [1,0,0,0,0,0|2,0,0]=3 95 B3R0.1 FCCBr AMY39418 [1,0,0,0,0,0|2,0,0]=3 96 B3R0.1 FCCI AM20100746 [1,0,0,0,0,0|2,0,0]=3 97 B3R0.1 N#CCBr AMY21970 [1,0,0,0,0,0|1,0,2]=4 98 B3R0.1 N#CCF AMY33527 [1,0,0,0,0,0|1,0,2]=4 99 B3R0.1 N#CCN AMY19488 [1,0,0,0,0,0|1,0,1]=3 100 B3R0.1 NCCBr AM20090316 [1,0,0,0,0,0|1,0,0]=2 101 B3R0.1 NCCCl AMY3602 [1,0,0,0,0,0|1,0,0]=2 102 B3R0.1 NCCF AM20100176 [1,0,0,0,0,0|1,0,0]=2 103 B3R0.1 NCCS AMY202100105 [1,0,0,0,0,0|0,1,0]=2 104 B3R0.1 NNC=O AM9981 [1,0,0,0,0,0|1,0,2]=4 105 B3R0.1 OCCBr AMY39504 [1,0,0,0,0,0|1,0,0]=2 106 B3R0.1 OCCF AMY25659 [1,0,0,0,0,0|1,0,0]=2 107 B3R0.1 OCCO AMY22336 [1,0,0,0,0,0|1,0,0]=2 108 B3R0.2 BrC(Br)Br AMY21869 [1,0,0,0,0,0|3,0,0]=4 109 B3R0.2 C=C(C)Br AMY955 [1,0,0,0,0,0|1,0,2]=4 110 B3R0.2 C=C(C)[Mg+] AMY1042 [1,0,0,0,0,0|1,0,2]=4 111 B3R0.2 CC(=O)Br AMY21856 [1,0,0,0,0,0|1,0,2]=4 112 B3R0.2 CC(=O)O AMY21906 [1,0,0,0,0,0|1,0,1]=3 113 B3R0.2 CC(=O)O AMY41276 [1,0,0,0,0,0|1,0,1]=3 114 B3R0.2 CC(=O)[O-] AMY11747 [1,0,0,0,0,0|1,0,2]=4 115 B3R0.2 CC(=O)[O-] AMY1789 [1,0,0,0,0,0|1,0,2]=4 116 B3R0.2 CC(=O)[O-] AMY22485 [1,0,0,0,0,0|1,0,2]=4 117 B3R0.2 CC(=O)[O-] AMY22494 [1,0,0,0,0,0|1,0,2]=4 118 B3R0.2 CC(=O)[O-] AMY23396 [1,0,0,0,0,0|1,0,2]=4 119 B3R0.2 CC(=O)[O-] AMY23411 [1,0,0,0,0,0|1,0,2]=4 120 B3R0.2 CC(=O)[O-] AMY37172 [1,0,0,0,0,0|1,0,2]=4 121 B3R0.2 CC(=O)[O-] AMY9236 [1,0,0,0,0,0|1,0,2]=4 122 B3R0.2 CC(C)Br AMY37129 [1,0,0,0,0,0|1,0,0]=2 123 B3R0.2 CC(C)O AMY11029 [1,0,0,0,0,0|0,0,0]=1 124 B3R0.2 CC(C)[Mg+] AMY40195 [1,0,0,0,0,0|1,0,0]=2 125 B3R0.2 CC(C)[O-] AMY38606 [1,0,0,0,0,0|0,0,1]=2 126 B3R0.2 CC(C)[O-] AMY40472 [1,0,0,0,0,0|0,0,1]=2 127 B3R0.2 CP(C)C AMY19776 [1,0,0,0,0,0|2,0,0]=3 128 B3R0.2 CS(C)=O AMY14894 [1,0,0,0,0,0|1,0,1]=3 129 B3R0.2 C[PH](C)=O AM90266 [1,0,0,0,0,0|1,0,1]=3 130 B3R0.2 C[S+](C)C AMY12539 [1,0,0,0,0,0|2,0,0]=3 131 B3R0.2 C[S+](C)C AMY9344 [1,0,0,0,0,0|2,0,0]=3 132 B3R0.2 C[SiH](C)C AMY21899 [1,0,0,0,0,0|1,1,0]=3 133 B3R0.2 FC(Br)Br AMY6818 [1,0,0,0,0,0|3,0,0]=4 134 B3R0.2 N=C(N)N AMY21875 [1,0,0,0,0,0|2,0,1]=4 135 B3R0.2 NC(=S)S AMY40763 [1,0,0,0,0,0|1,1,1]=4 136 B3R0.2 NC(N)=O AMY37159 [1,0,0,0,0,0|1,0,2]=4 137 B3R0.2 NC(N)=S AMY40190 [1,0,0,0,0,0|1,1,1]=4 138 B3R0.2 N[13C](N)=O AMY37002 [1,0,0,0,0,0|1,0,2]=4 139 B3R0.2 O=C([O-])O AMY40219 [1,0,0,0,0,0|2,0,1]=4 140 B3R0.2 OB(O)O AMY1007 [1,0,0,0,0,0|3,0,0]=4 141 B5R0.1 C#CCC(=O)O AMY19285 [0,1,0,0,0,0|2,0,1]=4 142 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|1,0,2]=4 144 B5R0.1 C=CC[C@H](C)N AM9152 [0,1,0,0,0,0|2,0,0]=3 145 B5R0.1 C=CC[C@H](C)O AM804193 [0,1,0,0,0,0|1,0,0]=2 146 B5R0.1 CC(=O)CC#N AM86800 [0,1,0,0,0,0|0,0,3]=4 147 B5R0.1 CC(=O)CC#N AMY7035 [0,1,0,0,0,0|0,0,3]=4 148 B5R0.1 CC(=O)CCO AMY31061 [0,1,0,0,0,0|1,0,2]=4 149 B5R0.1 CC(=O)OCCl AMY28690 [0,1,0,0,0,0|1,0,2]=4 150 B5R0.1 CC(C)=CCBr AMY21882 [0,1,0,0,0,0|2,0,1]=4 151 B5R0.1 CC(C)CNN AM806328 [0,1,0,0,0,0|1,0,0]=2 152 B5R0.1 CC(C)CNN AM9787 [0,1,0,0,0,0|1,0,0]=2 153 B5R0.1 CC(C)CON AMY31434 [0,1,0,0,0,0|1,0,0]=2 154 B5R0.1 CC(C)OCCl AMY23885 [0,1,0,0,0,0|2,0,0]=3 155 B5R0.1 CC(C)\C=N\O AMY37290 [0,1,0,0,0,0|1,0,2]=4 156 B5R0.1 CCCB(O)O AMY987 [0,1,0,0,0,0|3,0,0]=4 157 B5R0.1 CCCC(C)=O AMY25524 [0,1,0,0,0,0|1,0,2]=4 158 B5R0.1 CCC[C@H](C)N AMY12548 [0,1,0,0,0,0|2,0,0]=3 159 B5R0.1 CCNC(C)C AMY13342 [0,1,0,0,0,0|2,0,0]=3 160 B5R0.1 CCOC(C)=N AM90190 [0,1,0,0,0,0|2,0,1]=4 161 B5R0.1 CCSC(C)=S AM90236 [0,1,0,0,0,0|1,1,1]=4 162 B5R0.1 CN(C)CCBr AM84884 [0,1,0,0,0,0|3,0,0]=4 163 B5R0.1 CN(C)CCCl AM20080022 [0,1,0,0,0,0|3,0,0]=4 164 B5R0.1 CN(C)CCCl AM20100171 [0,1,0,0,0,0|3,0,0]=4 165 B5R0.1 CN(C)CCN AM20080032 [0,1,0,0,0,0|2,0,0]=3 166 B5R0.1 CNCC(=O)O AM20080021 [0,1,0,0,0,0|1,0,1]=3 167 B5R0.1 CNCC(C)=O AM806508 [0,1,0,0,0,0|0,0,2]=3 168 B5R0.1 CNCC(N)=O AM82642 [0,1,0,0,0,0|1,0,2]=4 169 B5R0.1 COCC(=O)O AMY4059 [0,1,0,0,0,0|2,0,1]=4 170 B5R0.1 COC[C@@H](C)N AMY19545 [0,1,0,0,0,0|2,0,0]=3 171 B5R0.1 COC[C@H](C)O AM20100219 [0,1,0,0,0,0|1,0,0]=2 172 B5R0.1 C[C@@H](O)CCO AMY25740 [0,1,0,0,0,0|1,0,0]=2 173 B5R0.1 C[C@H](N)CCO AM84886 [0,1,0,0,0,0|2,0,0]=3 174 B5R0.1 C[C@H](N)CCO AM9719 [0,1,0,0,0,0|2,0,0]=3 175 B5R0.1 C[C@H](N)CCO AMY409 [0,1,0,0,0,0|2,0,0]=3 176 B5R0.1 C[C@H](O)CNN AM803409 [0,1,0,0,0,0|0,0,0]=1 177 B5R0.1 C\C(Br)=C/CO AMY11209 [0,1,0,0,0,0|2,0,1]=4 178 B5R0.1 NCCC(=O)O AM20080020 [0,1,0,0,0,0|1,0,1]=3 179 B5R0.1 NCCC(=O)O AMY22128 [0,1,0,0,0,0|1,0,1]=3 180 B5R0.1 NCCC(N)=O AM20100576 [0,1,0,0,0,0|1,0,2]=4 181 B5R0.1 NCCC(N)=O AMY6958 [0,1,0,0,0,0|1,0,2]=4 182 B5R0.1 NNCC(=O)O AMY202100023 [0,1,0,0,0,0|1,0,1]=3 183 B5R0.1 NOCC(=O)O AMY19484 [0,1,0,0,0,0|1,0,1]=3 184 B5R0.1 O=C(O)CCBr AM20100434 [0,1,0,0,0,0|2,0,1]=4 185 B5R0.1 O=C(O)CCF AM803932 [0,1,0,0,0,0|2,0,1]=4 186 B5R0.1 O=C(O)CCO AM85796 [0,1,0,0,0,0|2,0,1]=4 187 B5R0.1 O=C(O)CCS AMY27767 [0,1,0,0,0,0|2,0,1]=4 188 B5R0.3 C=C(CCl)CCl AM80980 [0,1,0,0,0,0|2,0,1]=4 189 B5R0.3 C=C(CO)CO AM20090550 [0,1,0,0,0,0|1,0,2]=4 190 B5R0.3 C=CC(O)C=C AMY14244 [0,1,0,0,0,0|1,0,2]=4 191 B5R0.3 C=C[C@@H](O)CC AMY851 [0,1,0,0,0,0|1,0,1]=3 192 B5R0.3 C=C[C@H](N)CO AMY14650 [0,1,0,0,0,0|2,0,1]=4 193 B5R0.3 CC(CBr)CBr AMY21213 [0,1,0,0,0,0|2,0,0]=3 194 B5R0.3 CC(CI)CI AMY32062 [0,1,0,0,0,0|2,0,0]=3 195 B5R0.3 CCC(=O)CC AMY11060 [0,1,0,0,0,0|1,0,2]=4 196 B5R0.3 CCC(=O)OC AMY21940 [0,1,0,0,0,0|1,0,2]=4 197 B5R0.3 CCC(N)CC AMY4054 [0,1,0,0,0,0|2,0,0]=3 198 B5R0.3 CCN(C)CC AMY13336 [0,1,0,0,0,0|3,0,0]=4 199 B5R0.3 CCN(O)CC AMY25658 [0,1,0,0,0,0|2,0,0]=3 200 B5R0.3 CC[C@@H](N)CO AM85835 [0,1,0,0,0,0|2,0,0]=3 201 B5R0.3 CC[C@@H](O)CN AMY6653 [0,1,0,0,0,0|0,0,0]=1 202 B5R0.3 CC[C@@H](O)CO AMY40578 [0,1,0,0,0,0|1,0,0]=2 203 B5R0.3 CC[C@H](Br)CBr AMY31902 [0,1,0,0,0,0|2,0,0]=3 204 B5R0.3 CC[C@H](C)CBr AMY28688 [0,1,0,0,0,0|2,0,0]=3 205 B5R0.3 CC[C@H](C)NN AM803011 [0,1,0,0,0,0|2,0,0]=3 206 B5R0.3 CC[C@H](C)NN AM9772 [0,1,0,0,0,0|2,0,0]=3 207 B5R0.3 CC[C@H](N)CO AM85834 [0,1,0,0,0,0|2,0,0]=3 208 B5R0.3 CC[C@H](N)CO AM85988 [0,1,0,0,0,0|2,0,0]=3 209 B5R0.3 CC[C@H](O)CO AMY40584 [0,1,0,0,0,0|1,0,0]=2 210 B5R0.3 CC\C(C)=N\O AM90385 [0,1,0,0,0,0|1,0,1]=3 211 B5R0.3 CNC(=O)NN AMY42564 [0,1,0,0,0,0|1,0,2]=4 212 B5R0.3 COC(=O)CF AM20100155 [0,1,0,0,0,0|1,0,2]=4 213 B5R0.3 COC(=O)CN AM81785 [0,1,0,0,0,0|0,0,2]=3 214 B5R0.3 CO[C@@H](C)CN AMY21775 [0,1,0,0,0,0|0,0,0]=1 215 B5R0.3 C[C@@H](CO)CBr AMY14347 [0,1,0,0,0,0|1,0,0]=2 216 B5R0.3 ClCC(Cl)CCl AMY22833 [0,1,0,0,0,0|2,0,0]=3 217 B5R0.3 NC(CO)CO AM20100310 [0,1,0,0,0,0|2,0,0]=3 218 B5R0.3 NCC(O)CN AM20100500 [0,1,0,0,0,0|0,0,0]=1 219 B5R0.3 NC[C@H](F)CO AMY34391 [0,1,0,0,0,0|1,0,0]=2 220 B5R0.3 NC[C@H](O)CCl AMY31075 [0,1,0,0,0,0|0,0,0]=1 221 B5R0.3 NC[C@H](O)CO AM20100501 [0,1,0,0,0,0|0,0,0]=1 222 B5R0.3 NC[C@H](O)CO AM20100602 [0,1,0,0,0,0|0,0,0]=1 223 B5R0.3 NC[C@H](O)CO AMY18546 [0,1,0,0,0,0|0,0,0]=1 224 B5R0.3 NNC(=O)CCl AMY39922 [0,1,0,0,0,0|1,0,2]=4 225 B5R0.3 NNC(=O)CO AM803763 [0,1,0,0,0,0|1,0,2]=4 226 B5R0.3 O=C(CBr)CBr AM85919 [0,1,0,0,0,0|1,0,2]=4 227 B5R0.3 O=C(CO)CBr AMY19754 [0,1,0,0,0,0|1,0,2]=4 228 B5R0.3 OC[C@H](Br)CBr AMY25826 [0,1,0,0,0,0|2,0,0]=3 229 B5R0.3 OC[C@H](O)CCl AM81448 [0,1,0,0,0,0|1,0,0]=2 230 B5R0.3 OC[C@H](O)CCl AM81449 [0,1,0,0,0,0|1,0,0]=2 231 B5R0.3 OC[C@H](O)CCl AMY21866 [0,1,0,0,0,0|1,0,0]=2 232 B5R0.4 C#CC(C)(C)Cl AMY19182 [0,1,0,0,0,0|2,0,1]=4 233 B5R0.4 C#CC(C)(C)F AMY30164 [0,1,0,0,0,0|2,0,1]=4 234 B5R0.4 C#CC(C)(C)N AMY19729 [0,1,0,0,0,0|2,0,1]=4 235 B5R0.4 C#CC(C)(C)O AMY3792 [0,1,0,0,0,0|1,0,1]=3 236 B5R0.4 C=CC(C)(C)O AMY3791 [0,1,0,0,0,0|1,0,1]=3 237 B5R0.4 CC(C)(C)C=O AMY14201 [0,1,0,0,0,0|2,0,1]=4 238 B5R0.4 CC(C)(C)CBr AMY020 [0,1,0,0,0,0|2,0,0]=3 239 B5R0.4 CC(C)(C)CCl AMY1168 [0,1,0,0,0,0|2,0,0]=3 240 B5R0.4 CC(C)(C)CI AMY25581 [0,1,0,0,0,0|2,0,0]=3 241 B5R0.4 CC(C)(C)CN AMY5183 [0,1,0,0,0,0|1,0,0]=2 242 B5R0.4 CC(C)(C)CO AMY18878 [0,1,0,0,0,0|2,0,0]=3 243 B5R0.4 CC(C)(C)NN AMY4095 [0,1,0,0,0,0|2,0,0]=3 244 B5R0.4 CC(C)(N)C#N AM20090129 [0,1,0,0,0,0|1,0,2]=4 245 B5R0.4 CC(C)(N)CN AMY14283 [0,1,0,0,0,0|1,0,0]=2 246 B5R0.4 CC(C)(N)CO AMY25550 [0,1,0,0,0,0|2,0,0]=3 247 B5R0.4 CC(C)(O)CCl AMY10400 [0,1,0,0,0,0|1,0,0]=2 248 B5R0.4 CC(C)(O)CN AM20090364 [0,1,0,0,0,0|0,0,0]=1 249 B5R0.4 CC(F)(F)CCl AMY6016 [0,1,0,0,0,0|2,0,0]=3 250 B5R0.4 CC(F)(F)CN AMY1251 [0,1,0,0,0,0|1,0,0]=2 251 B5R0.4 CC(F)(F)CO AMY1243 [0,1,0,0,0,0|2,0,0]=3 252 B5R0.4 CCC(C)(C)O AMY11089 [0,1,0,0,0,0|1,0,0]=2 253 B5R0.4 CCC(C)(C)[O-] AMY33539 [0,1,0,0,0,0|1,0,1]=3 254 B5R0.4 COC(C)(C)C AMY11032 [0,1,0,0,0,0|3,0,0]=4 255 B5R0.4 CP(C)(=O)CCl AM10868 [0,1,0,0,0,0|2,0,1]=4 256 B5R0.4 CP(C)(=O)CO AM10876 [0,1,0,0,0,0|2,0,1]=4 257 B5R0.4 CS(=O)(=O)NN AM85458 [0,1,0,0,0,0|2,0,1]=4 258 B5R0.4 C[Si](C)(C)CBr AMY42229 [0,1,0,0,0,0|2,1,0]=4 259 B5R0.4 C[Si](C)(C)CCl AMY39317 [0,1,0,0,0,0|2,1,0]=4 260 B5R0.4 C[Si](C)(C)CI AMY42187 [0,1,0,0,0,0|2,1,0]=4 261 B5R0.4 C[Si](C)(C)CO AMY36454 [0,1,0,0,0,0|2,1,0]=4 262 B5R0.4 FC(F)(Br)CBr AMY6862 [0,1,0,0,0,0|3,0,0]=4 263 B5R0.4 FC(F)(F)CI AMY25651 [0,1,0,0,0,0|3,0,0]=4 264 B5R0.4 FCC(F)(F)F AMY25787 [0,1,0,0,0,0|3,0,0]=4 265 B5R0.4 NCC(F)(F)F AMY3624 [0,1,0,0,0,0|2,0,0]=3 266 B5R0.4 NCC(F)(F)F AMY6806 [0,1,0,0,0,0|2,0,0]=3 267 B5R0.4 NCS(=O)(=O)O AMY8974 [0,1,0,0,0,0|2,0,0]=3 268 B5R0.4 NOS(=O)(=O)O AMY13359 [0,1,0,0,0,0|3,0,0]=4 269 B5R0.4 OCC(Cl)(Cl)Cl AMY25535 [0,1,0,0,0,0|3,0,0]=4 270 B5R0.4 OCC(F)(F)F AM20100728 [0,1,0,0,0,0|3,0,0]=4 271 B5R0.4 [Li]C[Si](C)(C)C AMY14833 [0,1,0,0,0,0|2,1,0]=4 272 B5R0.5 C=C(C)C(N)=O AMY13351 [0,1,0,0,0,0|1,0,2]=4 273 B5R0.5 CC(=O)C(C)C AMY11021 [0,1,0,0,0,0|1,0,2]=4 274 B5R0.5 CC(=O)C(F)F AMY6800 [0,1,0,0,0,0|1,0,2]=4 275 B5R0.5 CC(=O)C(O)O AMY25827 [0,1,0,0,0,0|1,0,2]=4 276 B5R0.5 CC(=O)[C@H](C)F AMY5968 [0,1,0,0,0,0|1,0,2]=4 277 B5R0.5 CC(C)B(O)O AM1192 [0,1,0,0,0,0|3,0,0]=4 278 B5R0.5 CC(C)N(C)C AMY13340 [0,1,0,0,0,0|3,0,0]=4 279 B5R0.5 CC(C)[C@@H](C)N AMY22001 [0,1,0,0,0,0|1,0,0]=2 280 B5R0.5 CC(C)[C@H](C)N AMY14243 [0,1,0,0,0,0|1,0,0]=2 281 B5R0.5 CC(C)[N+](=O)[O-] AMY25784 [0,1,0,0,0,0|3,0,0]=4 282 B5R0.5 CC(O)C(=O)[O-] AMY37027 [0,1,0,0,0,0|1,0,1]=3 283 B5R0.5 CN(C)C(=N)N AM804111 [0,1,0,0,0,0|2,0,1]=4 284 B5R0.5 C[C@H](Br)C(=O)O AM81431 [0,1,0,0,0,0|2,0,1]=4 285 B5R0.5 C[C@H](Br)C(=O)O AM81432 [0,1,0,0,0,0|2,0,1]=4 286 B5R0.5 C[C@H](Br)C(=O)O AMY21881 [0,1,0,0,0,0|2,0,1]=4 287 B5R0.5 C[C@H](Br)C(N)=O AMY7273 [0,1,0,0,0,0|1,0,1]=3 288 B5R0.5 C[C@H](Cl)C(=O)Cl AMY40167 [0,1,0,0,0,0|2,0,1]=4 289 B5R0.5 C[C@H](Cl)C(=O)O AM81429 [0,1,0,0,0,0|2,0,1]=4 290 B5R0.5 C[C@H](Cl)C(=O)O AM81430 [0,1,0,0,0,0|2,0,1]=4 291 B5R0.5 C[C@H](Cl)C(=O)O AMY4045 [0,1,0,0,0,0|2,0,1]=4 292 B5R0.5 C[C@H](F)C(=O)O AMY5967 [0,1,0,0,0,0|2,0,1]=4 293 B5R0.5 C[C@H](N)C(=O)O AM20090411 [0,1,0,0,0,0|1,0,1]=3 294 B5R0.5 C[C@H](N)C(=O)O AM20090517 [0,1,0,0,0,0|1,0,1]=3 295 B5R0.5 C[C@H](N)C(=O)O AM20100374 [0,1,0,0,0,0|1,0,1]=3 296 B5R0.5 C[C@H](N)C(N)=O AM20090503 [0,1,0,0,0,0|1,0,1]=3 297 B5R0.5 C[C@H](N)C(N)=O AM81484 [0,1,0,0,0,0|1,0,1]=3 298 B5R0.5 C[C@H](O)C(=N)N AM806558 [0,1,0,0,0,0|0,0,1]=2 299 B5R0.5 C[C@H](O)C(=O)O AM87208 [0,1,0,0,0,0|1,0,1]=3 300 B5R0.5 C[C@H](O)C(=O)[O-] AMY22237 [0,1,0,0,0,0|1,0,1]=3 301 B5R0.5 O=C(O)C(F)F AM20100014 [0,1,0,0,0,0|2,0,1]=4 302 B5R1.2 BrC1CCC1 AM803913 [0,0,0,1,0,0|2,0,0]=3 303 B5R1.2 BrC1CNC1 AMY34832 [0,0,0,1,0,0|1,0,0]=2 304 B5R1.2 BrC1COC1 AM20020035 [0,0,0,1,0,0|2,0,0]=3 305 B5R1.2 CC1CNC1 AM20120351 [0,0,0,1,0,0|1,0,0]=2 306 B5R1.2 C[C@H]1CCN1 AM806564 [0,0,0,1,0,0|2,0,0]=3 307 B5R1.2 ClC1CCC1 AMY6175 [0,0,0,1,0,0|2,0,0]=3 308 B5R1.2 ClC1CNC1 AMY33719 [0,0,0,1,0,0|1,0,0]=2 309 B5R1.2 ClC1COC1 AMY34839 [0,0,0,1,0,0|2,0,0]=3 310 B5R1.2 FC1CNC1 AM20100512 [0,0,0,1,0,0|1,0,0]=2 311 B5R1.2 FC1CNC1 AMY12200 [0,0,0,1,0,0|1,0,0]=2 312 B5R1.2 FC1COC1 AM20020027 [0,0,0,1,0,0|2,0,0]=3 313 B5R1.2 IC1CCC1 AMY6180 [0,0,0,1,0,0|2,0,0]=3 314 B5R1.2 IC1COC1 AM20020026 [0,0,0,1,0,0|2,0,0]=3 315 B5R1.2 NC1CCC1 AMY2668 [0,0,0,1,0,0|2,0,0]=3 316 B5R1.2 NC1CCC1 AMY6177 [0,0,0,1,0,0|2,0,0]=3 317 B5R1.2 NC1CNC1 AMY6172 [0,0,0,1,0,0|1,0,0]=2 318 B5R1.2 NC1COC1 AM20020021 [0,0,0,1,0,0|2,0,0]=3 319 B5R1.2 NC1COC1 AM85383 [0,0,0,1,0,0|2,0,0]=3 320 B5R1.2 NC1CSC1 AM20120367 [0,0,0,1,0,0|2,0,0]=3 321 B5R1.2 N[C@@H]1CCO1 AMY1804 [0,0,0,1,0,0|2,0,0]=3 322 B5R1.2 O=C1CCC1 AM20070575 [0,0,0,1,0,0|1,0,2]=4 323 B5R1.2 O=C1CCO1 AM20020040 [0,0,0,1,0,0|2,0,1]=4 324 B5R1.2 O=C1CNC1 AM20090048 [0,0,0,1,0,0|0,0,2]=3 325 B5R1.2 O=C1CNC1 AM20100329 [0,0,0,1,0,0|0,0,2]=3 326 B5R1.2 O=C1COC1 AM20020042 [0,0,0,1,0,0|1,0,2]=4 327 B5R1.2 O=C1CSC1 AM20090216 [0,0,0,1,0,0|1,0,2]=4 328 B5R1.2 OC1CCC1 AM803645 [0,0,0,1,0,0|1,0,0]=2 329 B5R1.2 OC1CNC1 AM20100158 [0,0,0,1,0,0|0,0,0]=1 330 B5R1.2 OC1COC1 AM20020046 [0,0,0,1,0,0|1,0,0]=2 331 B5R1.2 OC1CSC1 AMY35636 [0,0,0,1,0,0|1,0,0]=2 332 B5R1.2 SC1COC1 AMY33758 [0,0,0,1,0,0|1,1,0]=3 333 B5R1.3 BrCC1CC1 AM90231 [0,0,0,1,0,0|2,0,0]=3 334 B5R1.3 BrC[C@H]1CO1 AMY31919 [0,0,0,1,0,0|1,0,0]=2 335 B5R1.3 C#CC1CC1 AM20100625 [0,0,0,1,0,0|2,0,1]=4 336 B5R1.3 C=C[C@@H]1CO1 AMY40815 [0,0,0,1,0,0|1,0,1]=3 337 B5R1.3 CNC1CC1 AM20100262 [0,0,0,1,0,0|3,0,0]=4 338 B5R1.3 CNC1CC1 AM20100622 [0,0,0,1,0,0|3,0,0]=4 339 B5R1.3 ClCC1CC1 AM20100440 [0,0,0,1,0,0|2,0,0]=3 340 B5R1.3 ClC[C@H]1CO1 AM20090809 [0,0,0,1,0,0|1,0,0]=2 341 B5R1.3 ClC[C@H]1CO1 AM20090812 [0,0,0,1,0,0|1,0,0]=2 342 B5R1.3 ClC[C@H]1CO1 AMY40813 [0,0,0,1,0,0|1,0,0]=2 343 B5R1.3 ICC1CC1 AMY6123 [0,0,0,1,0,0|2,0,0]=3 344 B5R1.3 IC[C@H]1CO1 AMY5696 [0,0,0,1,0,0|1,0,0]=2 345 B5R1.3 N#CC1CC1 AMY3403 [0,0,0,1,0,0|1,0,2]=4 346 B5R1.3 NCC1CC1 AM61420 [0,0,0,1,0,0|1,0,0]=2 347 B5R1.3 NNC1CC1 AM10015 [0,0,0,1,0,0|2,0,0]=3 348 B5R1.3 O=CC1CC1 AM90182 [0,0,0,1,0,0|2,0,1]=4 349 B5R1.3 OCC1CC1 AM20090298 [0,0,0,1,0,0|2,0,0]=3 350 B5R1.3 OC[C@H]1CO1 AM20100365 [0,0,0,1,0,0|1,0,0]=2 351 B5R1.3 OC[C@H]1CO1 AM20100474 [0,0,0,1,0,0|1,0,0]=2 352 B5R1.3 OC[C@H]1CO1 AM81447 [0,0,0,1,0,0|1,0,0]=2 353 B5R1.4 CC1CC1N AM806543 [0,0,0,1,0,0|1,0,0]=2 354 B5R1.4 CC1CC1N AM806563 [0,0,0,1,0,0|1,0,0]=2 355 B5R1.4 C[C@H]1C[C@H]1F AMY5813 [0,0,0,1,0,0|2,0,0]=3 356 B5R1.4 FC1CC1Br AMY5835 [0,0,0,1,0,0|2,0,0]=3 357 B5R1.4 N[C@@H]1CC1F AM84389 [0,0,0,1,0,0|1,0,0]=2 358 B5R1.4 N[C@H]1C[C@H]1N AMY35674 [0,0,0,1,0,0|1,0,0]=2 359 B5R1.5 CC1(N)CC1 AM803556 [0,0,0,1,0,0|2,0,0]=3 360 B5R1.5 CC1(O)CC1 AMY38664 [0,0,0,1,0,0|1,0,0]=2 361 B2R0.1 BrCBr AMY11088 [2,0,0,0,0,0|2,0,0]=4 362 B2R0.1 CCC AMY22280 [2,0,0,0,0,0|0,0,0]=2 363 B2R0.1 CCI AMY39500 [2,0,0,0,0,0|1,0,0]=3 364 B2R0.1 CC[O-] AMY14850 [2,0,0,0,0,0|0,0,1]=3 365 B2R0.1 CNC AM90364 [2,0,0,0,0,0|1,0,0]=3 366 B2R0.1 CNC AMY14900 [2,0,0,0,0,0|1,0,0]=3 367 B2R0.1 CNO AMY23438 [2,0,0,0,0,0|1,0,0]=3 368 B2R0.1 CON AM90382 [2,0,0,0,0,0|1,0,0]=3 369 B2R0.1 CSC AMY11755 [2,0,0,0,0,0|1,0,0]=3 370 B2R0.1 CSC AMY14803 [2,0,0,0,0,0|1,0,0]=3 371 B2R0.1 ClCBr AMY11119 [2,0,0,0,0,0|2,0,0]=4 372 B2R0.1 ClCI AMY2690 [2,0,0,0,0,0|2,0,0]=4 373 B2R0.1 FCBr AMY6811 [2,0,0,0,0,0|2,0,0]=4 374 B2R0.1 FCF AMY37122 [2,0,0,0,0,0|2,0,0]=4 375 B2R0.1 ICI AMY25773 [2,0,0,0,0,0|2,0,0]=4 376 B2R0.1 N#CN AMY6233 [2,0,0,0,0,0|1,0,1]=4 377 B2R0.1 N=CN AMY2665 [2,0,0,0,0,0|1,0,1]=4 378 B2R0.1 NC=O AMY3583 [2,0,0,0,0,0|0,0,2]=4 379 B2R0.1 NC=S AMY33487 [2,0,0,0,0,0|0,1,1]=4 380 B2R0.1 O=CO AMY11055 [2,0,0,0,0,0|1,0,1]=4 381 B4R0.2 BrCCCBr AMY25527 [1,1,0,0,0,0|1,0,0]=3 382 B4R0.2 C#CCCBr AMY1272 [1,1,0,0,0,0|1,0,1]=4 383 B4R0.2 C#CCOC AMY1246 [1,1,0,0,0,0|1,0,1]=4 384 B4R0.2 C#COCC AMY33551 [1,1,0,0,0,0|1,0,1]=4 385 B4R0.2 C=CCCCl AMY11185 [1,1,0,0,0,0|1,0,1]=4 386 B4R0.2 C=CCCO AMY14291 [1,1,0,0,0,0|1,0,0]=3 387 B4R0.2 C=CCNC AMY13350 [1,1,0,0,0,0|0,0,2]=4 388 B4R0.2 C=CCNN AM806419 [1,1,0,0,0,0|0,0,2]=4 389 B4R0.2 C=CCOC AM20100534 [1,1,0,0,0,0|1,0,1]=4 390 B4R0.2 C=CCON AM90375 [1,1,0,0,0,0|0,0,2]=4 391 B4R0.2 CC#CCBr AMY1227 [1,1,0,0,0,0|1,0,1]=4 392 B4R0.2 CC#CCO AMY19259 [1,1,0,0,0,0|1,0,1]=4 393 B4R0.2 CCCCN AMY21914 [1,1,0,0,0,0|0,0,0]=2 394 B4R0.2 CCCNN AM9771 [1,1,0,0,0,0|0,0,0]=2 395 B4R0.2 CCNCC AMY25752 [1,1,0,0,0,0|1,0,0]=3 396 B4R0.2 CCPCC AMY11725 [1,1,0,0,0,0|1,0,0]=3 397 B4R0.2 CC\C=C\Br AMY796 [1,1,0,0,0,0|1,0,1]=4 398 B4R0.2 CNCC#N AM20090317 [1,1,0,0,0,0|0,0,2]=4 399 B4R0.2 CNCCCl AM803928 [1,1,0,0,0,0|1,0,0]=3 400 B4R0.2 CNCCF AMY202003232 [1,1,0,0,0,0|1,0,0]=3 401 B4R0.2 CNCCO AMY32697 [1,1,0,0,0,0|0,0,0]=2 402 B4R0.2 COCCCl AMY25739 [1,1,0,0,0,0|1,0,0]=3 403 B4R0.2 COCCN AM808206 [1,1,0,0,0,0|0,0,0]=2 404 B4R0.2 CSCCCl AMY15533 [1,1,0,0,0,0|1,0,0]=3 405 B4R0.2 CSCCN AMY33509 [1,1,0,0,0,0|0,0,0]=2 406 B4R0.2 CSCCO AMY19250 [1,1,0,0,0,0|1,0,0]=3 407 B4R0.2 C\C=C\CCl AMY618 [1,1,0,0,0,0|1,0,1]=4 408 B4R0.2 C\C=C\CO AMY21936 [1,1,0,0,0,0|1,0,1]=4 409 B4R0.2 ClCCCBr AMY40180 [1,1,0,0,0,0|1,0,0]=3 410 B4R0.2 ClCCCCl AMY22013 [1,1,0,0,0,0|1,0,0]=3 411 B4R0.2 ClCCCI AMY25762 [1,1,0,0,0,0|1,0,0]=3 412 B4R0.2 FCCCBr AMY28674 [1,1,0,0,0,0|1,0,0]=3 413 B4R0.2 N#CCCCl AMY21819 [1,1,0,0,0,0|0,0,2]=4 414 B4R0.2 NCCCBr AM20100225 [1,1,0,0,0,0|0,0,0]=2 415 B4R0.2 NCCCN AMY21886 [1,1,0,0,0,0|0,0,0]=2 416 B4R0.2 NCCON AMY10143 [1,1,0,0,0,0|0,0,0]=2 417 B4R0.2 NNCCO AM20080045 [1,1,0,0,0,0|0,0,0]=2 418 B4R0.2 OCCCBr AM20100533 [1,1,0,0,0,0|1,0,0]=3 419 B4R0.2 OCCCCl AMY9478 [1,1,0,0,0,0|1,0,0]=3 420 B4R0.2 OCCCF AM1014 [1,1,0,0,0,0|1,0,0]=3 421 B4R0.2 SCCCBr AM806637 [1,1,0,0,0,0|1,0,0]=3 422 B4R0.2 [Li]CCCC AMY14790 [1,1,0,0,0,0|1,0,0]=3 423 B4R0.3 CC(C)(C)N AMY14898 [1,1,0,0,0,0|1,0,0]=3 424 B4R0.3 CC(C)(C)N AMY40503 [1,1,0,0,0,0|1,0,0]=3 425 B4R0.3 CC(C)(C)O AMY11058 [1,1,0,0,0,0|0,0,0]=2 426 B4R0.3 CC(C)(C)S AMY28695 [1,1,0,0,0,0|0,1,0]=3 427 B4R0.3 CC(C)(C)[O-] AMY3409 [1,1,0,0,0,0|0,0,1]=3 428 B4R0.3 CC(C)(C)[O-] AMY36772 [1,1,0,0,0,0|0,0,1]=3 429 B4R0.3 CC(C)(C)[O-] AMY39324 [1,1,0,0,0,0|0,0,1]=3 430 B4R0.3 CP(=O)(O)O AM20120404 [1,1,0,0,0,0|2,0,0]=4 431 B4R0.3 CS(=O)(=O)O AMY32450 [1,1,0,0,0,0|2,0,0]=4 432 B4R0.3 CS(C)(=N)=O AMY3326 [1,1,0,0,0,0|1,0,1]=4 433 B4R0.3 CS(C)(=O)=O AMY25756 [1,1,0,0,0,0|1,0,1]=4 434 B4R0.3 C[N+](C)(C)C AMY13717 [1,1,0,0,0,0|2,0,0]=4 435 B4R0.3 C[N+](C)(C)C AMY15434 [1,1,0,0,0,0|2,0,0]=4 436 B4R0.3 C[N+](C)(C)C AMY22331 [1,1,0,0,0,0|2,0,0]=4 437 B4R0.3 C[N+](C)(C)C AMY6671 [1,1,0,0,0,0|2,0,0]=4 438 B4R0.3 C[N+](C)(C)C AMY6672 [1,1,0,0,0,0|2,0,0]=4 439 B4R0.3 C[P+](C)(C)C AMY13780 [1,1,0,0,0,0|2,0,0]=4 440 B4R0.3 C[S+](C)(C)=O AMY22243 [1,1,0,0,0,0|1,0,1]=4 441 B4R0.3 C[S+](C)(C)=O AMY24038 [1,1,0,0,0,0|1,0,1]=4 442 B4R0.3 C[Si](C)(C)Br AMY39323 [1,1,0,0,0,0|1,1,0]=4 443 B4R0.3 C[Si](C)(C)Cl AMY15614 [1,1,0,0,0,0|1,1,0]=4 444 B4R0.3 C[Si](C)(C)I AMY39353 [1,1,0,0,0,0|1,1,0]=4 445 B4R0.3 C[Si](C)(Cl)Cl AMY40504 [1,1,0,0,0,0|1,1,0]=4 446 B4R0.3 NC(F)(F)F AM101060 [1,1,0,0,0,0|2,0,0]=4 447 B4R0.3 [2H]C([2H])([2H])N AMY014 [1,1,0,0,0,0|2,0,0]=4 448 B4R0.3 [Li]C(C)(C)C AMY14889 [1,1,0,0,0,0|1,0,0]=3 449 B6R0.1 BrCC[C@H](Br)CBr AMY18008 [0,2,0,0,0,0|2,0,0]=4 450 B6R0.1 CCOC(=O)CN AM81786 [0,2,0,0,0,0|0,0,2]=4 451 B6R0.1 CNCC(=O)OC AM82645 [0,2,0,0,0,0|0,0,2]=4 452 B6R0.1 COC(=O)CCN AM20090461 [0,2,0,0,0,0|0,0,2]=4 453 B6R0.1 C[C@@H](CO)CCO AMY37668 [0,2,0,0,0,0|1,0,0]=3 454 B6R0.1 C[C@H](CN)CCN AMY1782 [0,2,0,0,0,0|1,0,0]=3 455 B6R0.1 C[C@H](CO)CCO AMY37676 [0,2,0,0,0,0|1,0,0]=3 456 B6R0.1 N#CC[C@H](O)CCl AM81472 [0,2,0,0,0,0|0,0,1]=3 457 B6R0.1 N#CC[C@H](O)CCl AM81473 [0,2,0,0,0,0|0,0,1]=3 458 B6R0.1 OCC[C@H](O)CO AMY14876 [0,2,0,0,0,0|1,0,0]=3 459 B6R0.1 OCC[C@H](O)CO AMY6061 [0,2,0,0,0,0|1,0,0]=3 460 B6R0.2 CC(=O)CC(C)C AMY11098 [0,2,0,0,0,0|2,0,0]=4 461 B6R0.2 CC(C)CB(O)O AM80872 [0,2,0,0,0,0|2,0,0]=4 462 B6R0.2 CC(C)CC(=O)O AMY40214 [0,2,0,0,0,0|2,0,0]=4 463 B6R0.2 CC(C)C[C@H](C)N AMY36830 [0,2,0,0,0,0|1,0,0]=3 464 B6R0.2 CC(C)NC(C)C AMY8971 [0,2,0,0,0,0|2,0,0]=4 465 B6R0.2 CC(O)CC(=O)[O-] AMY10051 [0,2,0,0,0,0|1,0,0]=3 466 B6R0.2 CC(O)CC(=O)[O-] AMY10054 [0,2,0,0,0,0|1,0,0]=3 467 B6R0.2 CN(C)CC(=O)O AM20080064 [0,2,0,0,0,0|1,0,1]=4 468 B6R0.2 CN(C)CC(=O)O AM81799 [0,2,0,0,0,0|1,0,1]=4 469 B6R0.2 C[C@@H](O)CC(=O)O AMY24176 [0,2,0,0,0,0|1,0,0]=3 470 B6R0.2 C[C@@H](O)CN(C)C AMY16641 [0,2,0,0,0,0|0,0,0]=2 471 B6R0.2 C[C@H](Cl)CN(C)C AM90213 [0,2,0,0,0,0|1,0,0]=3 472 B6R0.2 C[C@H](N)CC(=O)O AM20100008 [0,2,0,0,0,0|1,0,1]=4 473 B6R0.2 C[C@H](N)CC(=O)O AM20100009 [0,2,0,0,0,0|1,0,1]=4 474 B6R0.2 C[C@H](N)CC(=O)O AM20100428 [0,2,0,0,0,0|1,0,1]=4 475 B6R0.2 C[C@H](N)CC(=O)O AM804090 [0,2,0,0,0,0|1,0,1]=4 476 B6R0.2 C[C@H](O)CC(=O)O AMY10050 [0,2,0,0,0,0|1,0,0]=3 477 B6R0.2 C[C@H](O)CC(=O)O AMY24175 [0,2,0,0,0,0|1,0,0]=3 478 B6R0.2 C[C@H](O)CC(=O)[O-] AM86469 [0,2,0,0,0,0|1,0,0]=3 479 B6R0.2 C[C@H](O)CC(=O)[O-] AMY10052 [0,2,0,0,0,0|1,0,0]=3 480 B6R0.2 C[C@H](O)CC(=O)[O-] AMY10055 [0,2,0,0,0,0|1,0,0]=3 481 B6R0.2 C[C@H](O)CN(C)C AMY13331 [0,2,0,0,0,0|0,0,0]=2 482 B6R0.3 C=C(I)[C@H](C)CI AMY6046 [0,2,0,0,0,0|2,0,0]=4 483 B6R0.3 CC(C)C(=N)NO AM803769 [0,2,0,0,0,0|1,0,1]=4 484 B6R0.3 CC(C)C(=O)NN AMY3958 [0,2,0,0,0,0|1,0,1]=4 485 B6R0.3 CC(C)[C@@H](C)CO AMY19225 [0,2,0,0,0,0|1,0,0]=3 486 B6R0.3 CC(C)[C@@H](N)CO AM20080457 [0,2,0,0,0,0|1,0,0]=3 487 B6R0.3 CC(C)[C@@H](N)CO AM20090150 [0,2,0,0,0,0|1,0,0]=3 488 B6R0.3 CC(C)[C@@H](N)CO AM20100129 [0,2,0,0,0,0|1,0,0]=3 489 B6R0.3 CC(C)[C@H](N)C#N AMY32625 [0,2,0,0,0,0|1,0,0]=3 490 B6R0.3 CCC(=O)[C@H](C)Br AMY6079 [0,2,0,0,0,0|2,0,0]=4 491 B6R0.3 CCN(O)C(C)=O AMY33549 [0,2,0,0,0,0|2,0,0]=4 492 B6R0.3 CC[C@@H](Br)C(=O)O AMY2458 [0,2,0,0,0,0|2,0,0]=4 493 B6R0.3 CC[C@@H](N)C(N)=O AMY725 [0,2,0,0,0,0|1,0,1]=4 494 B6R0.3 CC[C@H](Br)C(=O)O AM81433 [0,2,0,0,0,0|2,0,0]=4 495 B6R0.3 CC[C@H](C)B(O)O AM85121 [0,2,0,0,0,0|1,0,0]=3 496 B6R0.3 CC[C@H](C)C(=O)O AM802977 [0,2,0,0,0,0|1,0,0]=3 497 B6R0.3 CC[C@H](N)C(=O)O AM20080375 [0,2,0,0,0,0|1,0,1]=4 498 B6R0.3 CC[C@H](N)C(=O)O AM20090323 [0,2,0,0,0,0|1,0,1]=4 499 B6R0.3 CC[C@H](N)C(=O)O AM20090360 [0,2,0,0,0,0|1,0,1]=4 500 B6R0.3 CC[C@H](N)C(N)=O AM20100759 [0,2,0,0,0,0|1,0,1]=4 501 B6R0.3 CC[C@H](N)C(N)=O AM20120294 [0,2,0,0,0,0|1,0,1]=4 502 B6R0.3 CC[C@H](S)C(=O)O AMY2446 [0,2,0,0,0,0|2,0,0]=4 503 B6R0.3 CN(C)C(=O)CN AM20100689 [0,2,0,0,0,0|0,0,2]=4 504 B6R0.3 CN(C)C(=O)CN AMY4281 [0,2,0,0,0,0|0,0,2]=4 505 B6R0.3 CN[C@@H](C)C(=O)O AM81482 [0,2,0,0,0,0|1,0,1]=4 506 B6R0.3 CN[C@@H](C)C(=O)O AM82991 [0,2,0,0,0,0|1,0,1]=4 507 B6R0.3 CN[C@@H](C)C(=O)O AM9397 [0,2,0,0,0,0|1,0,1]=4 508 B6R0.3 CN[C@@H](C)C(C)C AMY37353 [0,2,0,0,0,0|1,0,0]=3 509 B6R0.3 CN[C@H](C)C(=O)O AMY25382 [0,2,0,0,0,0|1,0,1]=4 510 B6R0.3 COC(=O)[C@H](C)N AM20080254 [0,2,0,0,0,0|0,0,2]=4 511 B6R0.3 COC(=O)[C@H](C)N AM20090283 [0,2,0,0,0,0|0,0,2]=4 512 B6R0.3 COC(=O)[C@H](C)N AM81485 [0,2,0,0,0,0|0,0,2]=4 513 B6R0.3 CO[C@H](C)C(=O)O AM84813 [0,2,0,0,0,0|1,0,1]=4 514 B6R0.3 C[C@@H](CN)C(=O)O AMY22008 [0,2,0,0,0,0|0,0,0]=2 515 B6R0.3 C[C@@H](CO)C(=O)O AMY18825 [0,2,0,0,0,0|1,0,0]=3 516 B6R0.3 C[C@@H](O)[C@H](N)CO AMY22530 [0,2,0,0,0,0|0,0,0]=2 517 B6R0.3 C[C@H](C#N)C(=O)O AMY19783 [0,2,0,0,0,0|0,0,2]=4 518 B6R0.3 NC(=O)C(N)CO AM806435 [0,2,0,0,0,0|1,0,1]=4 519 B6R0.3 NC(=O)[C@@H](N)CO AM20100594 [0,2,0,0,0,0|1,0,1]=4 520 B6R0.3 NC[C@H](N)C(=O)O AM20080367 [0,2,0,0,0,0|1,0,0]=3 521 B6R0.3 NC[C@H](N)C(=O)O AM20100354 [0,2,0,0,0,0|1,0,0]=3 522 B6R0.3 NC[C@H](N)C(=O)O AM20100470 [0,2,0,0,0,0|1,0,0]=3 523 B6R0.3 NC[C@H](O)C(=O)O AM1113 [0,2,0,0,0,0|0,0,1]=3 524 B6R0.3 NC[C@H](O)C(=O)O AM82574 [0,2,0,0,0,0|0,0,1]=3 525 B6R0.3 N[C@@H](CCl)C(=O)O AMY22074 [0,2,0,0,0,0|1,0,1]=4 526 B6R0.3 N[C@@H](CCl)C(=O)O AMY22075 [0,2,0,0,0,0|1,0,1]=4 527 B6R0.3 N[C@@H](CO)C(=O)O AM20090412 [0,2,0,0,0,0|1,0,1]=4 528 B6R0.3 N[C@@H](CO)C(=O)O AM20090441 [0,2,0,0,0,0|1,0,1]=4 529 B6R0.3 N[C@@H](CO)C(=O)O AM20100375 [0,2,0,0,0,0|1,0,1]=4 530 B6R0.3 N[C@@H](CS)C(=O)O AM20070682 [0,2,0,0,0,0|1,0,1]=4 531 B6R0.3 N[C@@H](CS)C(=O)O AM81647 [0,2,0,0,0,0|1,0,1]=4 532 B6R0.3 N[C@@H](CS)C(=O)O AM81648 [0,2,0,0,0,0|1,0,1]=4 533 B6R0.3 N[C@@H](CS)C(=O)O AM81649 [0,2,0,0,0,0|1,0,1]=4 534 B6R0.3 N[C@@H](CS)C(=O)O AM81651 [0,2,0,0,0,0|1,0,1]=4 535 B6R0.3 N[C@H](CCl)C(=O)O AMY19767 [0,2,0,0,0,0|1,0,1]=4 536 B6R0.3 O=C(O)[C@@H](Br)CBr AM20100466 [0,2,0,0,0,0|2,0,0]=4 537 B6R0.4 C=CNCC(=O)O AMY22733 [0,2,0,0,0,0|1,0,1]=4 538 B6R0.4 CC(=O)NCCN AMY40665 [0,2,0,0,0,0|0,0,2]=4 539 B6R0.4 CC(C)CCCO AMY39142 [0,2,0,0,0,0|2,0,0]=4 540 B6R0.4 CC(C)CON=O AMY4012 [0,2,0,0,0,0|1,0,1]=4 541 B6R0.4 CC(C)NCCCl AMY31121 [0,2,0,0,0,0|2,0,0]=4 542 B6R0.4 CC(C)OCCBr AM80879 [0,2,0,0,0,0|2,0,0]=4 543 B6R0.4 CN(C)CCON AMY27281 [0,2,0,0,0,0|2,0,0]=4 544 B6R0.4 CNCCC(=O)O AM84855 [0,2,0,0,0,0|1,0,1]=4 545 B6R0.4 CNCCC(C)C AMY37348 [0,2,0,0,0,0|1,0,0]=3 546 B6R0.4 CNCCC(C)C AMY37370 [0,2,0,0,0,0|1,0,0]=3 547 B6R0.4 CNCCN(C)C AMY10373 [0,2,0,0,0,0|2,0,0]=4 548 B6R0.4 C[C@H](Br)CCCBr AMY2526 [0,2,0,0,0,0|2,0,0]=4 549 B6R0.4 NCCCC(=O)O AM20100372 [0,2,0,0,0,0|1,0,1]=4 550 B6R0.5 C#CCC(C)(C)O AM806691 [0,2,0,0,0,0|1,0,0]=3 551 B6R0.5 CC(C)(C)CC=O AM20090398 [0,2,0,0,0,0|2,0,0]=4 552 B6R0.5 CC(C)(C)CCO AM20100528 [0,2,0,0,0,0|2,0,0]=4 553 B6R0.5 CC(C)(N)CCO AMY117 [0,2,0,0,0,0|2,0,0]=4 554 B6R0.5 CC(C)(O)CCN AMY42489 [0,2,0,0,0,0|0,0,0]=2 555 B6R0.5 CNCC(C)(C)O AM807013 [0,2,0,0,0,0|0,0,0]=2 556 B6R0.5 CNCC(F)(F)F AMY202100063 [0,2,0,0,0,0|2,0,0]=4 557 B6R0.5 COCC(C)(C)O AMY9274 [0,2,0,0,0,0|1,0,0]=3 558 B6R0.5 CS(=O)(=O)CCN AM20070694 [0,2,0,0,0,0|1,0,1]=4 559 B6R0.5 NCCC(F)(F)F AM20090393 [0,2,0,0,0,0|2,0,0]=4 560 B6R0.5 NCCC(F)(F)F AMY15153 [0,2,0,0,0,0|2,0,0]=4 561 B6R0.5 NCCP(=O)(O)O AMY31171 [0,2,0,0,0,0|2,0,0]=4 562 B6R0.5 NCCS(=O)(=O)O AM20080018 [0,2,0,0,0,0|2,0,0]=4 563 B6R0.8 C#C[C@@](C)(O)CC AMY4108 [0,2,0,0,0,0|1,0,0]=3 564 B6R0.8 CC(C)(CCl)CCl AMY32075 [0,2,0,0,0,0|2,0,0]=4 565 B6R0.8 CC(C)(CI)CI AMY32061 [0,2,0,0,0,0|2,0,0]=4 566 B6R0.8 CC(C)(CN)CO AMY14344 [0,2,0,0,0,0|0,0,0]=2 567 B6R0.8 CC(C)(CO)CCl AMY42053 [0,2,0,0,0,0|1,0,0]=3 568 B6R0.8 CC(C)(CO)CO AMY25552 [0,2,0,0,0,0|1,0,0]=3 569 B6R0.8 CC(N)(CO)CO AMY14265 [0,2,0,0,0,0|1,0,0]=3 570 B6R0.8 CC[C@](C)(N)CN AMY40943 [0,2,0,0,0,0|1,0,0]=3 571 B6R0.8 CC[C@](C)(O)CN AMY24170 [0,2,0,0,0,0|0,0,0]=2 572 B6R0.8 CNC(C)(C)CO AM85695 [0,2,0,0,0,0|2,0,0]=4 573 B6R0.8 COC(C)(C)CBr AM806263 [0,2,0,0,0,0|1,0,0]=3 574 B6R0.8 COC(C)(C)CN AMY36536 [0,2,0,0,0,0|0,0,0]=2 575 B6R0.8 COC(C)(C)CO AM90075 [0,2,0,0,0,0|1,0,0]=3 576 B6R0.8 NCC(F)(F)CN AM806163 [0,2,0,0,0,0|1,0,0]=3 577 B6R0.8 NCC(F)(F)CN AMY14720 [0,2,0,0,0,0|1,0,0]=3 578 B6R0.8 NCC(F)(F)CO AMY14719 [0,2,0,0,0,0|1,0,0]=3 579 B6R0.8 OCC(F)(F)CO AMY7075 [0,2,0,0,0,0|2,0,0]=4 580 B6R0.9 C=C[C@@H](CC)CO AMY36984 [0,2,0,0,0,0|1,0,1]=4 581 B6R0.9 CCC(CC)NN AM10003 [0,2,0,0,0,0|2,0,0]=4 582 B6R0.9 CCC(CC)NN AM10008 [0,2,0,0,0,0|2,0,0]=4 583 B6R0.9 CCC(CO)CO AM10034 [0,2,0,0,0,0|1,0,0]=3 584 B6R0.9 COC(CCl)OC AMY3314 [0,2,0,0,0,0|1,0,0]=3 585 B6R0.9 COC(OC)OC AMY41181 [0,2,0,0,0,0|2,0,0]=4 586 B6R0.9 OCC(CO)CO AM20100186 [0,2,0,0,0,0|1,0,0]=3 587 B6R0.7 CC(=O)C(C)(C)N AM806454 [0,2,0,0,0,0|0,0,2]=4 588 B6R0.7 CC(=O)C(C)(C)O AM84347 [0,2,0,0,0,0|1,0,1]=4 589 B6R0.7 CC(C)(Br)C(N)=O AMY7268 [0,2,0,0,0,0|1,0,1]=4 590 B6R0.7 CC(C)(C)C(=N)N AM804113 [0,2,0,0,0,0|1,0,1]=4 591 B6R0.7 CC(C)(C)C(=N)N AMY25598 [0,2,0,0,0,0|1,0,1]=4 592 B6R0.7 CC(C)(C)C(N)=S AM20100553 [0,2,0,0,0,0|1,0,1]=4 593 B6R0.7 CC(C)(C)[S@@](N)=O AM20080353 [0,2,0,0,0,0|2,0,0]=4 594 B6R0.7 CC(C)(C)[S@@](N)=O AM62752 [0,2,0,0,0,0|2,0,0]=4 595 B6R0.7 CC(C)(C)[S@@](N)=O AM62767 [0,2,0,0,0,0|2,0,0]=4 596 B6R0.7 CC(C)(N)C(=O)O AM20100517 [0,2,0,0,0,0|1,0,1]=4 597 B6R0.7 CC(C)(N)C(N)=O AMY20154 [0,2,0,0,0,0|1,0,1]=4 598 B6R0.7 CC(C)C(C)(C)C AMY31971 [0,2,0,0,0,0|2,0,0]=4 599 B6R0.7 C[C@@H](N)C(F)(F)F AMY3240 [0,2,0,0,0,0|2,0,0]=4 600 B6R0.7 C[C@H](N)C(F)(F)F AM803120 [0,2,0,0,0,0|2,0,0]=4 601 B6R0.7 C[C@H](N)C(F)(F)F AM84903 [0,2,0,0,0,0|2,0,0]=4 602 B6R0.7 C[C@H](N)C(F)(F)F AMY2934 [0,2,0,0,0,0|2,0,0]=4 603 B6R0.7 C[C@H](O)C(F)(F)F AMY6775 [0,2,0,0,0,0|1,0,0]=3 604 B4R1.1 C1CNC1 AM20080889 [1,0,0,1,0,0|0,0,0]=2 605 B4R1.1 C1CNC1 AM20090583 [1,0,0,1,0,0|0,0,0]=2 606 B4R1.1 C1COC1 AM20020039 [1,0,0,1,0,0|1,0,0]=3 607 B4R1.2 BrC1CC1 AM90210 [1,0,0,1,0,0|1,0,0]=3 608 B4R1.2 C[C@H]1CO1 AM81470 [1,0,0,1,0,0|1,0,0]=3 609 B4R1.2 C[C@H]1CO1 AM81471 [1,0,0,1,0,0|1,0,0]=3 610 B4R1.2 NC1CC1 AM804333 [1,0,0,1,0,0|0,0,0]=2 611 B4R1.2 OC1CC1 AMY35209 [1,0,0,1,0,0|1,0,0]=3 612 B6R1.2 BrC1CCCC1 AM20080273 [0,1,0,1,0,0|2,0,0]=4 613 B6R1.2 Br[C@H]1CCNC1 AM101739 [0,1,0,1,0,0|1,0,0]=3 614 B6R1.2 Br[C@H]1CCNC1 AM101740 [0,1,0,1,0,0|1,0,0]=3 615 B6R1.2 Br[C@H]1CCNC1 AM101781 [0,1,0,1,0,0|1,0,0]=3 616 B6R1.2 Br[C@H]1CCNC1 AM91615 [0,1,0,1,0,0|1,0,0]=3 617 B6R1.2 Br[C@H]1CCNC1 AM96305 [0,1,0,1,0,0|1,0,0]=3 618 B6R1.2 Br[C@H]1CCNC1 AM96372 [0,1,0,1,0,0|1,0,0]=3 619 B6R1.2 Br[C@H]1CCOC1 AM20090126 [0,1,0,1,0,0|2,0,0]=4 620 B6R1.2 CC1CCCC1 AMY21930 [0,1,0,1,0,0|2,0,0]=4 621 B6R1.2 C[C@@H]1CCNC1 AMY37511 [0,1,0,1,0,0|1,0,0]=3 622 B6R1.2 C[C@H]1CCCN1 AM20080260 [0,1,0,1,0,0|2,0,0]=4 623 B6R1.2 C[C@H]1CCCN1 AM20090040 [0,1,0,1,0,0|2,0,0]=4 624 B6R1.2 C[C@H]1CCCN1 AM20100102 [0,1,0,1,0,0|2,0,0]=4 625 B6R1.2 C[C@H]1CCCN1 AM20100445 [0,1,0,1,0,0|2,0,0]=4 626 B6R1.2 C[C@H]1CCCN1 AM20100751 [0,1,0,1,0,0|2,0,0]=4 627 B6R1.2 C[C@H]1CCCO1 AM81816 [0,1,0,1,0,0|1,0,0]=3 628 B6R1.2 C[C@H]1CCNC1 AM803039 [0,1,0,1,0,0|1,0,0]=3 629 B6R1.2 C[C@H]1CCNC1 AM803735 [0,1,0,1,0,0|1,0,0]=3 630 B6R1.2 C[C@H]1CCNC1 AMY37562 [0,1,0,1,0,0|1,0,0]=3 631 B6R1.2 ClC1CCCC1 AMY22306 [0,1,0,1,0,0|2,0,0]=4 632 B6R1.2 Cl[C@H]1CCNC1 AM90551 [0,1,0,1,0,0|1,0,0]=3 633 B6R1.2 Cl[C@H]1CCNC1 AM90553 [0,1,0,1,0,0|1,0,0]=3 634 B6R1.2 Cl[C@H]1CCNC1 AM90576 [0,1,0,1,0,0|1,0,0]=3 635 B6R1.2 Cl[C@H]1CCNC1 AM90577 [0,1,0,1,0,0|1,0,0]=3 636 B6R1.2 Cl[C@H]1CCNC1 AM91617 [0,1,0,1,0,0|1,0,0]=3 637 B6R1.2 Cl[C@H]1CCNC1 AM96290 [0,1,0,1,0,0|1,0,0]=3 638 B6R1.2 Cl[C@H]1CCOC1 AM100455 [0,1,0,1,0,0|2,0,0]=4 639 B6R1.2 F[C@H]1CCNC1 AM20080115 [0,1,0,1,0,0|1,0,0]=3 640 B6R1.2 F[C@H]1CCNC1 AM20080270 [0,1,0,1,0,0|1,0,0]=3 641 B6R1.2 F[C@H]1CCNC1 AM20080271 [0,1,0,1,0,0|1,0,0]=3 642 B6R1.2 F[C@H]1CCNC1 AM20090020 [0,1,0,1,0,0|1,0,0]=3 643 B6R1.2 F[C@H]1CCNC1 AMY41754 [0,1,0,1,0,0|1,0,0]=3 644 B6R1.2 IC1CCCC1 AMY3844 [0,1,0,1,0,0|2,0,0]=4 645 B6R1.2 I[C@H]1CCNC1 AM91594 [0,1,0,1,0,0|1,0,0]=3 646 B6R1.2 I[C@H]1CCNC1 AM91619 [0,1,0,1,0,0|1,0,0]=3 647 B6R1.2 I[C@H]1CCNC1 AM91621 [0,1,0,1,0,0|1,0,0]=3 648 B6R1.2 I[C@H]1CCNC1 AM92136 [0,1,0,1,0,0|1,0,0]=3 649 B6R1.2 I[C@H]1CCNC1 AM95453 [0,1,0,1,0,0|1,0,0]=3 650 B6R1.2 I[C@H]1CCNC1 AM96429 [0,1,0,1,0,0|1,0,0]=3 651 B6R1.2 I[C@H]1CCOC1 AM20080159 [0,1,0,1,0,0|2,0,0]=4 652 B6R1.2 NC1CC=CC1 AM20120323 [0,1,0,1,0,0|2,0,0]=4 653 B6R1.2 NC1CCCC1 AMY3757 [0,1,0,1,0,0|2,0,0]=4 654 B6R1.2 N[C@@H]1CCCN1 AMY9118 [0,1,0,1,0,0|2,0,0]=4 655 B6R1.2 N[C@H]1CCNC1 AM81992 [0,1,0,1,0,0|1,0,0]=3 656 B6R1.2 N[C@H]1CCNC1 AM81993 [0,1,0,1,0,0|1,0,0]=3 657 B6R1.2 N[C@H]1CCNC1 AM85320 [0,1,0,1,0,0|1,0,0]=3 658 B6R1.2 N[C@H]1CCOC1 AM20080063 [0,1,0,1,0,0|2,0,0]=4 659 B6R1.2 N[C@H]1CCOC1 AM20120276 [0,1,0,1,0,0|2,0,0]=4 660 B6R1.2 N[C@H]1CCOC1 AM62692 [0,1,0,1,0,0|2,0,0]=4 661 B6R1.2 N[C@H]1CCOC1 AMY4352 [0,1,0,1,0,0|2,0,0]=4 662 B6R1.2 N[C@H]1CCOC1 AMY5964 [0,1,0,1,0,0|2,0,0]=4 663 B6R1.2 O=C1CCNC1 AM20120384 [0,1,0,1,0,0|0,0,2]=4 664 B6R1.2 O=C1CCNC1 AMY6183 [0,1,0,1,0,0|0,0,2]=4 665 B6R1.2 O=C1CNCN1 AM84594 [0,1,0,1,0,0|0,0,2]=4 666 B6R1.2 OC1CC=CC1 AMY9178 [0,1,0,1,0,0|1,0,0]=3 667 B6R1.2 OC1CCCC1 AMY3616 [0,1,0,1,0,0|1,0,0]=3 668 B6R1.2 O[C@@H]1CCCO1 AMY20193 [0,1,0,1,0,0|1,0,0]=3 669 B6R1.2 O[C@@H]1CCNO1 AMY37646 [0,1,0,1,0,0|1,0,0]=3 670 B6R1.2 O[C@H]1CCNC1 AM20070695 [0,1,0,1,0,0|0,0,0]=2 671 B6R1.2 O[C@H]1CCNC1 AM20080166 [0,1,0,1,0,0|0,0,0]=2 672 B6R1.2 O[C@H]1CCNC1 AM20090354 [0,1,0,1,0,0|0,0,0]=2 673 B6R1.2 O[C@H]1CCNC1 AM20100082 [0,1,0,1,0,0|0,0,0]=2 674 B6R1.2 O[C@H]1CCNC1 AM90404 [0,1,0,1,0,0|0,0,0]=2 675 B6R1.2 O[C@H]1CCNO1 AMY37647 [0,1,0,1,0,0|1,0,0]=3 676 B6R1.2 O[C@H]1CCOC1 AM20100156 [0,1,0,1,0,0|1,0,0]=3 677 B6R1.2 O[C@H]1CCOC1 AM20110236 [0,1,0,1,0,0|1,0,0]=3 678 B6R1.2 O[C@H]1CCOC1 AM20110237 [0,1,0,1,0,0|1,0,0]=3 679 B6R1.2 O[C@H]1CCSC1 AM20090505 [0,1,0,1,0,0|1,0,0]=3 680 B6R1.2 S[C@H]1CCOC1 AM101772 [0,1,0,1,0,0|1,1,0]=4 681 B6R1.3 BrCCC1CC1 AMY202003230 [0,1,0,1,0,0|2,0,0]=4 682 B6R1.3 BrCC[C@H]1CO1 AMY20094 [0,1,0,1,0,0|1,0,0]=3 683 B6R1.3 CNCC1CC1 AM803431 [0,1,0,1,0,0|1,0,0]=3 684 B6R1.3 CNCC1CC1 AMY34463 [0,1,0,1,0,0|1,0,0]=3 685 B6R1.3 COC[C@H]1CO1 AM20120337 [0,1,0,1,0,0|1,0,0]=3 686 B6R1.3 ICCC1CC1 AMY34362 [0,1,0,1,0,0|2,0,0]=4 687 B6R1.3 N#CCC1CC1 AM20100595 [0,1,0,1,0,0|1,0,1]=4 688 B6R1.3 NCCC1CC1 AMY39140 [0,1,0,1,0,0|1,0,0]=3 689 B6R1.3 NCCC1CC1 AMY4139 [0,1,0,1,0,0|1,0,0]=3 690 B6R1.3 NNCC1CC1 AM10018 [0,1,0,1,0,0|1,0,0]=3 691 B6R1.3 NNCC1CC1 AMY16104 [0,1,0,1,0,0|1,0,0]=3 692 B6R1.3 NOCC1CC1 AM90383 [0,1,0,1,0,0|1,0,0]=3 693 B6R1.3 OCCC1CC1 AMY3915 [0,1,0,1,0,0|2,0,0]=4 694 B6R1.5 C=C1CC(N)C1 AM84287 [0,1,0,1,0,0|1,0,1]=4 695 B6R1.5 C=C1CC(N)C1 AM84288 [0,1,0,1,0,0|1,0,1]=4 696 B6R1.5 CC1CC(=O)C1 AM806996 [0,1,0,1,0,0|2,0,0]=4 697 B6R1.5 CN1CC(N)C1 AMY4272 [0,1,0,1,0,0|1,0,0]=3 698 B6R1.5 CN1CC(O)C1 AM802928 [0,1,0,1,0,0|0,0,0]=2 699 B6R1.5 CN1CC(O)C1 AMY9067 [0,1,0,1,0,0|0,0,0]=2 700 B6R1.5 NC1CC(=O)C1 AM20070559 [0,1,0,1,0,0|0,0,2]=4 701 B6R1.5 NC1CC(F)C1 AMY6159 [0,1,0,1,0,0|1,0,0]=3 702 B6R1.5 NC1CC(N)C1 AM85963 [0,1,0,1,0,0|1,0,0]=3 703 B6R1.5 NC1CC(O)C1 AM20070560 [0,1,0,1,0,0|0,0,0]=2 704 B6R1.5 NC1CC(O)C1 AM20070615 [0,1,0,1,0,0|0,0,0]=2 705 B6R1.5 N[C@H]1C[C@@H](F)C1 AMY34065 [0,1,0,1,0,0|1,0,0]=3 706 B6R1.5 N[C@H]1C[C@@H](N)C1 AMY34052 [0,1,0,1,0,0|1,0,0]=3 707 B6R1.5 N[C@H]1C[C@@H](O)C1 AM807002 [0,1,0,1,0,0|0,0,0]=2 708 B6R1.5 N[C@H]1C[C@H](F)C1 AMY34300 [0,1,0,1,0,0|1,0,0]=3 709 B6R1.5 N[C@H]1C[C@H](O)C1 AM807001 [0,1,0,1,0,0|0,0,0]=2 710 B6R1.5 N[C@H]1C[C@H](O)C1 AMY11818 [0,1,0,1,0,0|0,0,0]=2 711 B6R1.5 O=C1CC(O)C1 AMY33736 [0,1,0,1,0,0|1,0,0]=3 712 B6R1.5 OC1CC(F)C1 AMY33730 [0,1,0,1,0,0|1,0,0]=3 713 B6R1.5 O[C@H]1C[C@H](F)C1 AMY34301 [0,1,0,1,0,0|1,0,0]=3 714 B6R1.8 CC1CC1CN AM806562 [0,1,0,1,0,0|1,0,0]=3 715 B6R1.8 CC1CC1CO AM804126 [0,1,0,1,0,0|1,0,0]=3 716 B6R1.8 OC[C@@H]1C[C@@H]1F AMY5785 [0,1,0,1,0,0|1,0,0]=3 717 B6R1.10 CC1(C)CNC1 AMY14184 [0,1,0,1,0,0|1,0,0]=3 718 B6R1.10 CC1(C)COC1 AM20020043 [0,1,0,1,0,0|2,0,0]=4 719 B6R1.10 CC1(N)CCC1 AM808140 [0,1,0,1,0,0|2,0,0]=4 720 B6R1.10 CC1(N)CCC1 AMY1785 [0,1,0,1,0,0|2,0,0]=4 721 B6R1.10 CC1(N)COC1 AM20020051 [0,1,0,1,0,0|2,0,0]=4 722 B6R1.10 CC1(O)CNC1 AM81138 [0,1,0,1,0,0|0,0,0]=2 723 B6R1.10 CC1(O)COC1 AMY33735 [0,1,0,1,0,0|1,0,0]=3 724 B6R1.10 FC1(F)CNC1 AM20090379 [0,1,0,1,0,0|1,0,0]=3 725 B6R1.10 FC1(F)COC1 AMY15567 [0,1,0,1,0,0|2,0,0]=4 726 B6R1.11 C[C@H](N)C1CC1 AM804149 [0,1,0,1,0,0|1,0,0]=3 727 B6R1.11 C[C@H](N)C1CC1 AM806511 [0,1,0,1,0,0|1,0,0]=3 728 B6R1.11 C[C@H](O)C1CC1 AM804334 [0,1,0,1,0,0|1,0,0]=3 729 B6R1.11 N=C(N)C1CC1 AM804064 [0,1,0,1,0,0|1,0,1]=4 730 B6R1.11 N=C(N)C1CC1 AMY202003285 [0,1,0,1,0,0|1,0,1]=4 731 B6R1.11 NC(=O)C1CC1 AM20100524 [0,1,0,1,0,0|1,0,1]=4 732 B6R1.11 NC(=O)[C@@H]1CN1 AMY19258 [0,1,0,1,0,0|1,0,1]=4 733 B6R1.11 NC(=S)C1CC1 AMY30195 [0,1,0,1,0,0|1,0,1]=4 734 B6R1.11 O=C([O-])[C@@H]1CO1 AM85800 [0,1,0,1,0,0|1,0,1]=4 735 B6R1.6 BrCC1CCC1 AM20070598 [0,1,0,1,0,0|2,0,0]=4 736 B6R1.6 BrCC1COC1 AM807116 [0,1,0,1,0,0|1,0,0]=3 737 B6R1.6 BrC[C@H]1CCO1 AM20020056 [0,1,0,1,0,0|1,0,0]=3 738 B6R1.6 CNC1CNC1 AM20090279 [0,1,0,1,0,0|1,0,0]=3 739 B6R1.6 CNC1CNC1 AMY34231 [0,1,0,1,0,0|1,0,0]=3 740 B6R1.6 CNC1COC1 AM20020057 [0,1,0,1,0,0|2,0,0]=4 741 B6R1.6 CNC1COC1 AMY5742 [0,1,0,1,0,0|2,0,0]=4 742 B6R1.6 COC1CNC1 AM20080370 [0,1,0,1,0,0|0,0,0]=2 743 B6R1.6 COC1CNC1 AMY33741 [0,1,0,1,0,0|0,0,0]=2 744 B6R1.6 CSC1CNC1 AM20080315 [0,1,0,1,0,0|0,1,0]=3 745 B6R1.6 ClCC1CCC1 AMY31015 [0,1,0,1,0,0|2,0,0]=4 746 B6R1.6 ClCC1COC1 AM807016 [0,1,0,1,0,0|1,0,0]=3 747 B6R1.6 ClC[C@H]1CCO1 AM807017 [0,1,0,1,0,0|1,0,0]=3 748 B6R1.6 ICC1CCC1 AMY34464 [0,1,0,1,0,0|2,0,0]=4 749 B6R1.6 ICC1COC1 AM807382 [0,1,0,1,0,0|1,0,0]=3 750 B6R1.6 IC[C@H]1CCO1 AM20020012 [0,1,0,1,0,0|1,0,0]=3 751 B6R1.6 N#CC1CCC1 AM20070614 [0,1,0,1,0,0|2,0,0]=4 752 B6R1.6 N#CC1CNC1 AM20090541 [0,1,0,1,0,0|1,0,0]=3 753 B6R1.6 NCC1CCC1 AM20070613 [0,1,0,1,0,0|1,0,0]=3 754 B6R1.6 NCC1COC1 AM20020041 [0,1,0,1,0,0|0,0,0]=2 755 B6R1.6 NC[C@H]1CCN1 AM20070687 [0,1,0,1,0,0|1,0,0]=3 756 B6R1.6 NC[C@H]1CCO1 AM20020052 [0,1,0,1,0,0|0,0,0]=2 757 B6R1.6 NNC1CCC1 AM9769 [0,1,0,1,0,0|2,0,0]=4 758 B6R1.6 NNC1CCC1 AM9783 [0,1,0,1,0,0|2,0,0]=4 759 B6R1.6 NNC1COC1 AM9958 [0,1,0,1,0,0|1,0,0]=3 760 B6R1.6 O=CC1CCC1 AM90197 [0,1,0,1,0,0|1,0,1]=4 761 B6R1.6 O=CC1COC1 AMY38489 [0,1,0,1,0,0|1,0,1]=4 762 B6R1.6 OCC1CCC1 AM90211 [0,1,0,1,0,0|1,0,0]=3 763 B6R1.6 OCC1CNC1 AM20120333 [0,1,0,1,0,0|0,0,0]=2 764 B6R1.6 OCC1CNC1 AMY6173 [0,1,0,1,0,0|0,0,0]=2 765 B6R1.6 OCC1COC1 AM806983 [0,1,0,1,0,0|1,0,0]=3 766 B6R1.6 OC[C@H]1CCO1 AM807004 [0,1,0,1,0,0|1,0,0]=3 767 B6R1.7 CC1(CN)CC1 AM806561 [0,1,0,1,0,0|1,0,0]=3 768 B6R1.7 CC1(CN)CC1 AMY19193 [0,1,0,1,0,0|1,0,0]=3 769 B6R1.7 CC1(CO)CC1 AM803621 [0,1,0,1,0,0|1,0,0]=3 770 B6R1.7 C[C@]1(CO)CO1 AM806634 [0,1,0,1,0,0|1,0,0]=3 771 B6R1.7 C[C@]1(CO)CO1 AM85933 [0,1,0,1,0,0|1,0,0]=3 772 B6R1.7 NC1(CO)CC1 AM81133 [0,1,0,1,0,0|2,0,0]=4 773 B6R1.7 NC1(CO)CC1 AMY5592 [0,1,0,1,0,0|2,0,0]=4 774 B6R1.7 NCC1(F)CC1 AMY202003206 [0,1,0,1,0,0|1,0,0]=3 775 B6R1.7 NCC1(O)CC1 AM804312 [0,1,0,1,0,0|0,0,0]=2