0 B4R0.1 C#C[C@@H](C)O AMY24232 [0,0,0,0,0,0|2,0,1]=3 1 B4R0.1 C#C[C@H](C)Br AMY12092 [0,0,0,0,0,0|2,0,1]=3 2 B4R0.1 C#C[C@H](C)N AM806670 [0,0,0,0,0,0|2,0,1]=3 3 B4R0.1 C#C[C@H](C)O AMY34392 [0,0,0,0,0,0|2,0,1]=3 4 B4R0.1 C=C(C)C=O AMY28760 [0,0,0,0,0,0|1,0,3]=4 5 B4R0.1 C=C(C)CBr AM85592 [0,0,0,0,0,0|1,0,2]=3 6 B4R0.1 C=C(C)CN AMY13356 [0,0,0,0,0,0|0,0,2]=2 7 B4R0.1 C=C(Cl)CCl AMY4111 [0,0,0,0,0,0|2,0,2]=4 8 B4R0.1 C=C=C(C)C AMY42296 [0,0,0,0,0,0|1,0,2]=3 9 B4R0.1 C=CC(=C)C AMY37001 [0,0,0,0,0,0|1,0,3]=4 10 B4R0.1 C=C[C@H](C)Cl AMY617 [0,0,0,0,0,0|2,0,1]=3 11 B4R0.1 C=C[C@H](C)O AMY1257 [0,0,0,0,0,0|2,0,1]=3 12 B4R0.1 CC(=N)NO AMY18111 [0,0,0,0,0,0|3,0,1]=4 13 B4R0.1 CC(=O)C#N AMY39183 [0,0,0,0,0,0|1,0,3]=4 14 B4R0.1 CC(=O)CBr AM85840 [0,0,0,0,0,0|2,0,1]=3 15 B4R0.1 CC(=O)CN AMY15017 [0,0,0,0,0,0|1,0,1]=2 16 B4R0.1 CC(=O)CN AMY25062 [0,0,0,0,0,0|1,0,1]=2 17 B4R0.1 CC(=O)NN AM20080014 [0,0,0,0,0,0|2,0,1]=3 18 B4R0.1 CC(=O)NO AM20100343 [0,0,0,0,0,0|3,0,1]=4 19 B4R0.1 CC(C)=CBr AM85707 [0,0,0,0,0,0|1,0,2]=3 20 B4R0.1 CC(C)=NN AM9761 [0,0,0,0,0,0|1,0,1]=2 21 B4R0.1 CC(C)=NO AM90369 [0,0,0,0,0,0|2,0,1]=3 22 B4R0.1 CC(C)CBr AMY25783 [0,0,0,0,0,0|1,0,0]=1 23 B4R0.1 CC(C)NN AM20090002 [0,0,0,0,0,0|1,0,0]=1 24 B4R0.1 CC(C)NN AMY202003297 [0,0,0,0,0,0|1,0,0]=1 25 B4R0.1 CC(C)ON AM90376 [0,0,0,0,0,0|1,0,0]=1 26 B4R0.1 CCB(O)O AM80871 [0,0,0,0,0,0|4,0,0]=4 27 B4R0.1 CCC(=N)N AM803843 [0,0,0,0,0,0|3,0,1]=4 28 B4R0.1 CCC(=O)Cl AMY4112 [0,0,0,0,0,0|3,0,1]=4 29 B4R0.1 CCC(=O)O AMY4114 [0,0,0,0,0,0|3,0,1]=4 30 B4R0.1 CCC(=O)[O-] AMY22300 [0,0,0,0,0,0|3,0,1]=4 31 B4R0.1 CCC(=O)[O-] AMY37013 [0,0,0,0,0,0|3,0,1]=4 32 B4R0.1 CCC(C)[O-] AMY22246 [0,0,0,0,0,0|2,0,0]=2 33 B4R0.1 CCC(N)=S AMY39288 [0,0,0,0,0,0|3,0,1]=4 34 B4R0.1 CCN(C)C AMY13339 [0,0,0,0,0,0|2,0,0]=2 35 B4R0.1 CC[C@H](C)O AMY11001 [0,0,0,0,0,0|2,0,0]=2 36 B4R0.1 CC[S@](=O)[O-] AMY15674 [0,0,0,0,0,0|4,0,0]=4 37 B4R0.1 CN(C)C=S AMY40664 [0,0,0,0,0,0|2,0,1]=3 38 B4R0.1 CN(C)CCl AMY39211 [0,0,0,0,0,0|2,0,0]=2 39 B4R0.1 CNC(C)=O AMY4115 [0,0,0,0,0,0|3,0,1]=4 40 B4R0.1 CNC(C)C AMY13353 [0,0,0,0,0,0|2,0,0]=2 41 B4R0.1 COC(Cl)Cl AMY31937 [0,0,0,0,0,0|4,0,0]=4 42 B4R0.1 C[C@@H](Cl)CO AMY21413 [0,0,0,0,0,0|2,0,0]=2 43 B4R0.1 C[C@@H](N)CN AMY3648 [0,0,0,0,0,0|1,0,0]=1 44 B4R0.1 C[C@H](Br)C#N AMY39192 [0,0,0,0,0,0|1,0,2]=3 45 B4R0.1 C[C@H](Cl)CO AMY21357 [0,0,0,0,0,0|2,0,0]=2 46 B4R0.1 C[C@H](N)C#N AM9634 [0,0,0,0,0,0|1,0,2]=3 47 B4R0.1 C[C@H](N)CN AMY3672 [0,0,0,0,0,0|1,0,0]=1 48 B4R0.1 C[C@H](N)CO AM20090557 [0,0,0,0,0,0|2,0,0]=2 49 B4R0.1 C[C@H](N)CO AM20100507 [0,0,0,0,0,0|2,0,0]=2 50 B4R0.1 C[C@H](O)CN AM20090353 [0,0,0,0,0,0|1,0,0]=1 51 B4R0.1 C[C@H](O)CN AM20100779 [0,0,0,0,0,0|1,0,0]=1 52 B4R0.1 C[C@H](O)CN AM81450 [0,0,0,0,0,0|1,0,0]=1 53 B4R0.1 FC(F)CCl AMY6873 [0,0,0,0,0,0|3,0,0]=3 54 B4R0.1 FC(F)CI AMY20040 [0,0,0,0,0,0|3,0,0]=3 55 B4R0.1 F[C@@H](Br)CBr AMY6863 [0,0,0,0,0,0|3,0,0]=3 56 B4R0.1 N#CC(Cl)Cl AMY3929 [0,0,0,0,0,0|2,0,2]=4 57 B4R0.1 N=C(N)NN AMY40484 [0,0,0,0,0,0|3,0,1]=4 58 B4R0.1 N=C(N)NN AMY873 [0,0,0,0,0,0|3,0,1]=4 59 B4R0.1 NC(=O)CBr AM85872 [0,0,0,0,0,0|3,0,1]=4 60 B4R0.1 NC(=O)CCl AMY4113 [0,0,0,0,0,0|3,0,1]=4 61 B4R0.1 NCC(=O)O AM81781 [0,0,0,0,0,0|2,0,1]=3 62 B4R0.1 NCC(=O)[O-] AMY37022 [0,0,0,0,0,0|2,0,1]=3 63 B4R0.1 NCC(F)F AMY7132 [0,0,0,0,0,0|2,0,0]=2 64 B4R0.1 NCC(N)=O AM20080473 [0,0,0,0,0,0|2,0,1]=3 65 B4R0.1 NCC(N)=O AMY20517 [0,0,0,0,0,0|2,0,1]=3 66 B4R0.1 NCC(N)=O AMY22705 [0,0,0,0,0,0|2,0,1]=3 67 B4R0.1 NNC(N)=S AM20100785 [0,0,0,0,0,0|3,0,1]=4 68 B4R0.1 O=C(Br)CBr AMY21867 [0,0,0,0,0,0|3,0,1]=4 69 B4R0.1 O=C(Cl)CBr AMY13645 [0,0,0,0,0,0|3,0,1]=4 70 B4R0.1 O=C(Cl)CCl AMY40193 [0,0,0,0,0,0|3,0,1]=4 71 B4R0.1 O=C([O-])CS AMY25320 [0,0,0,0,0,0|3,0,1]=4 72 B4R0.1 O=[N+]([O-])CBr AMY33516 [0,0,0,0,0,0|4,0,0]=4 73 B4R0.1 OCC(F)F AMY3957 [0,0,0,0,0,0|3,0,0]=3 74 B4R0.1 [Li]CC(C)C AMY14929 [0,0,0,0,0,0|1,0,0]=1 75 B4R0.1 [Li][C@@H](C)CC AMY14890 [0,0,0,0,0,0|2,0,0]=2 76 B3R0.1 BrCCBr AMY25519 [1,0,0,0,0,0|2,0,0]=3 77 B3R0.1 C#CCBr AM85466 [1,0,0,0,0,0|1,0,2]=4 78 B3R0.1 C#CCN AM86798 [1,0,0,0,0,0|0,0,2]=3 79 B3R0.1 C#CCN AMY22227 [1,0,0,0,0,0|0,0,2]=3 80 B3R0.1 C=CCN AMY22118 [1,0,0,0,0,0|0,0,2]=3 81 B3R0.1 CC#C[Mg+] AMY1254 [1,0,0,0,0,0|1,0,2]=4 82 B3R0.1 CCCO AMY11110 [1,0,0,0,0,0|1,0,0]=2 83 B3R0.1 CCNN AM10026 [1,0,0,0,0,0|1,0,0]=2 84 B3R0.1 CCNN AMY202003286 [1,0,0,0,0,0|1,0,0]=2 85 B3R0.1 CCON AM90373 [1,0,0,0,0,0|1,0,0]=2 86 B3R0.1 CN=C=S AMY11073 [1,0,0,0,0,0|2,0,1]=4 87 B3R0.1 CNOC AM20100609 [1,0,0,0,0,0|3,0,0]=4 88 B3R0.1 CSSC AMY39506 [1,0,0,0,0,0|3,0,0]=4 89 B3R0.1 C[Se][Se]C AMY31938 [1,0,0,0,0,0|3,0,0]=4 90 B3R0.1 C\C=C\Br AMY19968 [1,0,0,0,0,0|1,0,2]=4 91 B3R0.1 ClCCBr AMY25520 [1,0,0,0,0,0|2,0,0]=3 92 B3R0.1 ClCCCl AMY33455 [1,0,0,0,0,0|2,0,0]=3 93 B3R0.1 FCCBr AMY39418 [1,0,0,0,0,0|2,0,0]=3 94 B3R0.1 FCCI AM20100746 [1,0,0,0,0,0|2,0,0]=3 95 B3R0.1 N#CCBr AMY21970 [1,0,0,0,0,0|1,0,2]=4 96 B3R0.1 N#CCF AMY33527 [1,0,0,0,0,0|1,0,2]=4 97 B3R0.1 N#CCN AMY19488 [1,0,0,0,0,0|1,0,1]=3 98 B3R0.1 NCCBr AM20090316 [1,0,0,0,0,0|1,0,0]=2 99 B3R0.1 NCCCl AMY3602 [1,0,0,0,0,0|1,0,0]=2 100 B3R0.1 NCCF AM20100176 [1,0,0,0,0,0|1,0,0]=2 101 B3R0.1 NCCS AMY202100105 [1,0,0,0,0,0|1,0,0]=2 102 B3R0.1 NNC=O AM9981 [1,0,0,0,0,0|2,0,1]=4 103 B3R0.1 OCCBr AMY39504 [1,0,0,0,0,0|2,0,0]=3 104 B3R0.1 OCCF AMY25659 [1,0,0,0,0,0|2,0,0]=3 105 B3R0.1 OCCO AMY22336 [1,0,0,0,0,0|2,0,0]=3 106 B3R0.2 BrC(Br)Br AMY21869 [1,0,0,0,0,0|3,0,0]=4 107 B3R0.2 C=C(C)Br AMY955 [1,0,0,0,0,0|1,0,2]=4 108 B3R0.2 C=C(C)[Mg+] AMY1042 [1,0,0,0,0,0|1,0,2]=4 109 B3R0.2 CC(=O)Br AMY21856 [1,0,0,0,0,0|2,0,1]=4 110 B3R0.2 CC(=O)O AMY21906 [1,0,0,0,0,0|2,0,1]=4 111 B3R0.2 CC(=O)O AMY41276 [1,0,0,0,0,0|2,0,1]=4 112 B3R0.2 CC(=O)[O-] AMY11747 [1,0,0,0,0,0|2,0,1]=4 113 B3R0.2 CC(=O)[O-] AMY1789 [1,0,0,0,0,0|2,0,1]=4 114 B3R0.2 CC(=O)[O-] AMY22485 [1,0,0,0,0,0|2,0,1]=4 115 B3R0.2 CC(=O)[O-] AMY22494 [1,0,0,0,0,0|2,0,1]=4 116 B3R0.2 CC(=O)[O-] AMY23396 [1,0,0,0,0,0|2,0,1]=4 117 B3R0.2 CC(=O)[O-] AMY23411 [1,0,0,0,0,0|2,0,1]=4 118 B3R0.2 CC(=O)[O-] AMY37172 [1,0,0,0,0,0|2,0,1]=4 119 B3R0.2 CC(=O)[O-] AMY9236 [1,0,0,0,0,0|2,0,1]=4 120 B3R0.2 CC(C)Br AMY37129 [1,0,0,0,0,0|1,0,0]=2 121 B3R0.2 CC(C)O AMY11029 [1,0,0,0,0,0|1,0,0]=2 122 B3R0.2 CC(C)[Mg+] AMY40195 [1,0,0,0,0,0|1,0,0]=2 123 B3R0.2 CC(C)[O-] AMY38606 [1,0,0,0,0,0|1,0,0]=2 124 B3R0.2 CC(C)[O-] AMY40472 [1,0,0,0,0,0|1,0,0]=2 125 B3R0.2 CP(C)C AMY19776 [1,0,0,0,0,0|1,0,0]=2 126 B3R0.2 CS(C)=O AMY14894 [1,0,0,0,0,0|2,0,0]=3 127 B3R0.2 C[PH](C)=O AM90266 [1,0,0,0,0,0|2,0,0]=3 128 B3R0.2 C[S+](C)C AMY12539 [1,0,0,0,0,0|1,0,0]=2 129 B3R0.2 C[S+](C)C AMY9344 [1,0,0,0,0,0|1,0,0]=2 130 B3R0.2 C[SiH](C)C AMY21899 [1,0,0,0,0,0|0,1,0]=2 131 B3R0.2 FC(Br)Br AMY6818 [1,0,0,0,0,0|3,0,0]=4 132 B3R0.2 N=C(N)N AMY21875 [1,0,0,0,0,0|2,0,1]=4 133 B3R0.2 NC(=S)S AMY40763 [1,0,0,0,0,0|2,0,1]=4 134 B3R0.2 NC(N)=O AMY37159 [1,0,0,0,0,0|2,0,1]=4 135 B3R0.2 NC(N)=S AMY40190 [1,0,0,0,0,0|2,0,1]=4 136 B3R0.2 N[13C](N)=O AMY37002 [1,0,0,0,0,0|2,0,1]=4 137 B5R0.1 C=C(C)CCBr AMY7022 [0,1,0,0,0,0|1,0,2]=4 138 B5R0.1 C=CCC(C)=O AMY31929 [0,1,0,0,0,0|2,0,1]=4 139 B5R0.1 C=CC[C@H](C)N AM9152 [0,1,0,0,0,0|2,0,0]=3 140 B5R0.1 C=CC[C@H](C)O AM804193 [0,1,0,0,0,0|2,0,0]=3 141 B5R0.1 CC(=O)CC#N AM86800 [0,1,0,0,0,0|1,0,2]=4 142 B5R0.1 CC(=O)CC#N AMY7035 [0,1,0,0,0,0|1,0,2]=4 143 B5R0.1 CC(=O)CCO AMY31061 [0,1,0,0,0,0|2,0,1]=4 144 B5R0.1 CC(=O)OCCl AMY28690 [0,1,0,0,0,0|2,0,1]=4 145 B5R0.1 CC(C)=CC=O AMY42093 [0,1,0,0,0,0|1,0,2]=4 146 B5R0.1 CC(C)=CCBr AMY21882 [0,1,0,0,0,0|1,0,1]=3 147 B5R0.1 CC(C)CNN AM806328 [0,1,0,0,0,0|0,0,0]=1 148 B5R0.1 CC(C)CNN AM9787 [0,1,0,0,0,0|0,0,0]=1 149 B5R0.1 CC(C)CON AMY31434 [0,1,0,0,0,0|0,0,0]=1 150 B5R0.1 CC(C)OCCl AMY23885 [0,1,0,0,0,0|1,0,0]=2 151 B5R0.1 CC(C)\C=N\O AMY37290 [0,1,0,0,0,0|0,0,2]=3 152 B5R0.1 CCCC(C)=O AMY25524 [0,1,0,0,0,0|2,0,1]=4 153 B5R0.1 CCC[C@H](C)N AMY12548 [0,1,0,0,0,0|2,0,0]=3 154 B5R0.1 CCNC(C)C AMY13342 [0,1,0,0,0,0|1,0,0]=2 155 B5R0.1 CCOC(C)=N AM90190 [0,1,0,0,0,0|2,0,1]=4 156 B5R0.1 CCSC(C)=S AM90236 [0,1,0,0,0,0|2,0,1]=4 157 B5R0.1 CN(C)CCBr AM84884 [0,1,0,0,0,0|2,0,0]=3 158 B5R0.1 CN(C)CCCl AM20080022 [0,1,0,0,0,0|2,0,0]=3 159 B5R0.1 CN(C)CCCl AM20100171 [0,1,0,0,0,0|2,0,0]=3 160 B5R0.1 CN(C)CCN AM20080032 [0,1,0,0,0,0|1,0,0]=2 161 B5R0.1 CNCC(=O)O AM20080021 [0,1,0,0,0,0|2,0,1]=4 162 B5R0.1 CNCC(C)=O AM806508 [0,1,0,0,0,0|1,0,1]=3 163 B5R0.1 CNCC(N)=O AM82642 [0,1,0,0,0,0|2,0,1]=4 164 B5R0.1 COC[C@@H](C)N AMY19545 [0,1,0,0,0,0|2,0,0]=3 165 B5R0.1 COC[C@H](C)O AM20100219 [0,1,0,0,0,0|2,0,0]=3 166 B5R0.1 C[C@@H](O)CCO AMY25740 [0,1,0,0,0,0|2,0,0]=3 167 B5R0.1 C[C@H](N)CCO AM84886 [0,1,0,0,0,0|2,0,0]=3 168 B5R0.1 C[C@H](N)CCO AM9719 [0,1,0,0,0,0|2,0,0]=3 169 B5R0.1 C[C@H](N)CCO AMY409 [0,1,0,0,0,0|2,0,0]=3 170 B5R0.1 C[C@H](O)CNN AM803409 [0,1,0,0,0,0|1,0,0]=2 171 B5R0.1 C\C(Br)=C/CO AMY11209 [0,1,0,0,0,0|2,0,1]=4 172 B5R0.1 NCCC(=O)O AM20080020 [0,1,0,0,0,0|2,0,1]=4 173 B5R0.1 NCCC(=O)O AMY22128 [0,1,0,0,0,0|2,0,1]=4 174 B5R0.1 NCCC(N)=O AM20100576 [0,1,0,0,0,0|2,0,1]=4 175 B5R0.1 NCCC(N)=O AMY6958 [0,1,0,0,0,0|2,0,1]=4 176 B5R0.1 NNCC(=O)O AMY202100023 [0,1,0,0,0,0|2,0,1]=4 177 B5R0.1 NOCC(=O)O AMY19484 [0,1,0,0,0,0|2,0,1]=4 178 B5R0.3 C=C(CCl)CCl AM80980 [0,1,0,0,0,0|1,0,2]=4 179 B5R0.3 C=C(CO)CO AM20090550 [0,1,0,0,0,0|1,0,2]=4 180 B5R0.3 C=C[C@@H](O)CC AMY851 [0,1,0,0,0,0|2,0,1]=4 181 B5R0.3 C=C[C@H](N)CO AMY14650 [0,1,0,0,0,0|2,0,1]=4 182 B5R0.3 CC(CBr)CBr AMY21213 [0,1,0,0,0,0|1,0,0]=2 183 B5R0.3 CC(CI)CI AMY32062 [0,1,0,0,0,0|1,0,0]=2 184 B5R0.3 CCC(=O)CC AMY11060 [0,1,0,0,0,0|2,0,1]=4 185 B5R0.3 CCC(=O)OC AMY21940 [0,1,0,0,0,0|2,0,1]=4 186 B5R0.3 CCC(N)CC AMY4054 [0,1,0,0,0,0|2,0,0]=3 187 B5R0.3 CCN(C)CC AMY13336 [0,1,0,0,0,0|2,0,0]=3 188 B5R0.3 CCN(O)CC AMY25658 [0,1,0,0,0,0|3,0,0]=4 189 B5R0.3 CC[C@@H](N)CO AM85835 [0,1,0,0,0,0|2,0,0]=3 190 B5R0.3 CC[C@@H](O)CN AMY6653 [0,1,0,0,0,0|1,0,0]=2 191 B5R0.3 CC[C@@H](O)CO AMY40578 [0,1,0,0,0,0|2,0,0]=3 192 B5R0.3 CC[C@H](Br)CBr AMY31902 [0,1,0,0,0,0|2,0,0]=3 193 B5R0.3 CC[C@H](C)CBr AMY28688 [0,1,0,0,0,0|1,0,0]=2 194 B5R0.3 CC[C@H](C)NN AM803011 [0,1,0,0,0,0|1,0,0]=2 195 B5R0.3 CC[C@H](C)NN AM9772 [0,1,0,0,0,0|1,0,0]=2 196 B5R0.3 CC[C@H](N)CO AM85834 [0,1,0,0,0,0|2,0,0]=3 197 B5R0.3 CC[C@H](N)CO AM85988 [0,1,0,0,0,0|2,0,0]=3 198 B5R0.3 CC[C@H](O)CO AMY40584 [0,1,0,0,0,0|2,0,0]=3 199 B5R0.3 CC\C(C)=N\O AM90385 [0,1,0,0,0,0|2,0,1]=4 200 B5R0.3 CNC(=O)NN AMY42564 [0,1,0,0,0,0|2,0,1]=4 201 B5R0.3 COC(=O)CF AM20100155 [0,1,0,0,0,0|2,0,1]=4 202 B5R0.3 COC(=O)CN AM81785 [0,1,0,0,0,0|1,0,1]=3 203 B5R0.3 CO[C@@H](C)CN AMY21775 [0,1,0,0,0,0|0,0,0]=1 204 B5R0.3 C[C@@H](CO)CBr AMY14347 [0,1,0,0,0,0|1,0,0]=2 205 B5R0.3 ClCC(Cl)CCl AMY22833 [0,1,0,0,0,0|2,0,0]=3 206 B5R0.3 NC(CO)CO AM20100310 [0,1,0,0,0,0|2,0,0]=3 207 B5R0.3 NCC(O)CN AM20100500 [0,1,0,0,0,0|1,0,0]=2 208 B5R0.3 NC[C@H](F)CO AMY34391 [0,1,0,0,0,0|1,0,0]=2 209 B5R0.3 NC[C@H](O)CCl AMY31075 [0,1,0,0,0,0|1,0,0]=2 210 B5R0.3 NC[C@H](O)CO AM20100501 [0,1,0,0,0,0|1,0,0]=2 211 B5R0.3 NC[C@H](O)CO AM20100602 [0,1,0,0,0,0|1,0,0]=2 212 B5R0.3 NC[C@H](O)CO AMY18546 [0,1,0,0,0,0|1,0,0]=2 213 B5R0.3 NNC(=O)CCl AMY39922 [0,1,0,0,0,0|2,0,1]=4 214 B5R0.3 NNC(=O)CO AM803763 [0,1,0,0,0,0|2,0,1]=4 215 B5R0.3 O=C(CBr)CBr AM85919 [0,1,0,0,0,0|2,0,1]=4 216 B5R0.3 O=C(CO)CBr AMY19754 [0,1,0,0,0,0|2,0,1]=4 217 B5R0.3 OC[C@H](Br)CBr AMY25826 [0,1,0,0,0,0|2,0,0]=3 218 B5R0.3 OC[C@H](O)CCl AM81448 [0,1,0,0,0,0|2,0,0]=3 219 B5R0.3 OC[C@H](O)CCl AM81449 [0,1,0,0,0,0|2,0,0]=3 220 B5R0.3 OC[C@H](O)CCl AMY21866 [0,1,0,0,0,0|2,0,0]=3 221 B5R0.4 C#CC(C)(C)Cl AMY19182 [0,1,0,0,0,0|1,0,1]=3 222 B5R0.4 C#CC(C)(C)F AMY30164 [0,1,0,0,0,0|1,0,1]=3 223 B5R0.4 C#CC(C)(C)N AMY19729 [0,1,0,0,0,0|1,0,1]=3 224 B5R0.4 C#CC(C)(C)O AMY3792 [0,1,0,0,0,0|1,0,1]=3 225 B5R0.4 C#C[Si](C)(C)C AMY1236 [0,1,0,0,0,0|1,1,1]=4 226 B5R0.4 C=CC(C)(C)O AMY3791 [0,1,0,0,0,0|1,0,1]=3 227 B5R0.4 C=C[Si](C)(C)C AMY1250 [0,1,0,0,0,0|1,1,1]=4 228 B5R0.4 CC(C)(C)C=O AMY14201 [0,1,0,0,0,0|1,0,1]=3 229 B5R0.4 CC(C)(C)CBr AMY020 [0,1,0,0,0,0|1,0,0]=2 230 B5R0.4 CC(C)(C)CCl AMY1168 [0,1,0,0,0,0|1,0,0]=2 231 B5R0.4 CC(C)(C)CI AMY25581 [0,1,0,0,0,0|1,0,0]=2 232 B5R0.4 CC(C)(C)CN AMY5183 [0,1,0,0,0,0|0,0,0]=1 233 B5R0.4 CC(C)(C)CO AMY18878 [0,1,0,0,0,0|1,0,0]=2 234 B5R0.4 CC(C)(C)NN AMY4095 [0,1,0,0,0,0|1,0,0]=2 235 B5R0.4 CC(C)(N)C#N AM20090129 [0,1,0,0,0,0|0,0,2]=3 236 B5R0.4 CC(C)(N)CN AMY14283 [0,1,0,0,0,0|0,0,0]=1 237 B5R0.4 CC(C)(N)CO AMY25550 [0,1,0,0,0,0|1,0,0]=2 238 B5R0.4 CC(C)(O)CCl AMY10400 [0,1,0,0,0,0|1,0,0]=2 239 B5R0.4 CC(C)(O)CN AM20090364 [0,1,0,0,0,0|0,0,0]=1 240 B5R0.4 CC(F)(F)CCl AMY6016 [0,1,0,0,0,0|2,0,0]=3 241 B5R0.4 CC(F)(F)CN AMY1251 [0,1,0,0,0,0|1,0,0]=2 242 B5R0.4 CC(F)(F)CO AMY1243 [0,1,0,0,0,0|2,0,0]=3 243 B5R0.4 CCC(C)(C)O AMY11089 [0,1,0,0,0,0|1,0,0]=2 244 B5R0.4 CCC(C)(C)[O-] AMY33539 [0,1,0,0,0,0|1,0,0]=2 245 B5R0.4 COC(C)(C)C AMY11032 [0,1,0,0,0,0|2,0,0]=3 246 B5R0.4 CP(C)(=O)CCl AM10868 [0,1,0,0,0,0|2,0,0]=3 247 B5R0.4 CP(C)(=O)CO AM10876 [0,1,0,0,0,0|2,0,0]=3 248 B5R0.4 CS(=O)(=O)NN AM85458 [0,1,0,0,0,0|3,0,0]=4 249 B5R0.4 C[Si](C)(C)C#N AMY6985 [0,1,0,0,0,0|0,1,2]=4 250 B5R0.4 C[Si](C)(C)CBr AMY42229 [0,1,0,0,0,0|1,1,0]=3 251 B5R0.4 C[Si](C)(C)CCl AMY39317 [0,1,0,0,0,0|1,1,0]=3 252 B5R0.4 C[Si](C)(C)CI AMY42187 [0,1,0,0,0,0|1,1,0]=3 253 B5R0.4 C[Si](C)(C)CO AMY36454 [0,1,0,0,0,0|1,1,0]=3 254 B5R0.4 FC(F)(Br)CBr AMY6862 [0,1,0,0,0,0|3,0,0]=4 255 B5R0.4 FC(F)(F)CI AMY25651 [0,1,0,0,0,0|3,0,0]=4 256 B5R0.4 FCC(F)(F)F AMY25787 [0,1,0,0,0,0|3,0,0]=4 257 B5R0.4 NCC(F)(F)F AMY3624 [0,1,0,0,0,0|2,0,0]=3 258 B5R0.4 NCC(F)(F)F AMY6806 [0,1,0,0,0,0|2,0,0]=3 259 B5R0.4 NCS(=O)(=O)O AMY8974 [0,1,0,0,0,0|3,0,0]=4 260 B5R0.4 OCC(Cl)(Cl)Cl AMY25535 [0,1,0,0,0,0|3,0,0]=4 261 B5R0.4 OCC(F)(F)F AM20100728 [0,1,0,0,0,0|3,0,0]=4 262 B5R0.4 [Li]C[Si](C)(C)C AMY14833 [0,1,0,0,0,0|1,1,0]=3 263 B5R0.5 C=C(C)C(N)=O AMY13351 [0,1,0,0,0,0|0,0,3]=4 264 B5R0.5 CC(=O)C(C)C AMY11021 [0,1,0,0,0,0|1,0,1]=3 265 B5R0.5 CC(=O)C(F)F AMY6800 [0,1,0,0,0,0|2,0,1]=4 266 B5R0.5 CC(=O)C(O)O AMY25827 [0,1,0,0,0,0|2,0,1]=4 267 B5R0.5 CC(=O)[C@H](C)F AMY5968 [0,1,0,0,0,0|2,0,1]=4 268 B5R0.5 CC(C)B(O)O AM1192 [0,1,0,0,0,0|2,0,0]=3 269 B5R0.5 CC(C)N(C)C AMY13340 [0,1,0,0,0,0|2,0,0]=3 270 B5R0.5 CC(C)[C@@H](C)N AMY22001 [0,1,0,0,0,0|0,0,0]=1 271 B5R0.5 CC(C)[C@H](C)N AMY14243 [0,1,0,0,0,0|0,0,0]=1 272 B5R0.5 CC(C)[N+](=O)[O-] AMY25784 [0,1,0,0,0,0|2,0,0]=3 273 B5R0.5 CC(O)C(=O)[O-] AMY37027 [0,1,0,0,0,0|2,0,1]=4 274 B5R0.5 CN(C)C(=N)N AM804111 [0,1,0,0,0,0|1,0,1]=3 275 B5R0.5 C[C@H](Br)C(=O)O AM81431 [0,1,0,0,0,0|2,0,1]=4 276 B5R0.5 C[C@H](Br)C(=O)O AM81432 [0,1,0,0,0,0|2,0,1]=4 277 B5R0.5 C[C@H](Br)C(=O)O AMY21881 [0,1,0,0,0,0|2,0,1]=4 278 B5R0.5 C[C@H](Br)C(N)=O AMY7273 [0,1,0,0,0,0|1,0,1]=3 279 B5R0.5 C[C@H](Cl)C(=O)Cl AMY40167 [0,1,0,0,0,0|2,0,1]=4 280 B5R0.5 C[C@H](Cl)C(=O)O AM81429 [0,1,0,0,0,0|2,0,1]=4 281 B5R0.5 C[C@H](Cl)C(=O)O AM81430 [0,1,0,0,0,0|2,0,1]=4 282 B5R0.5 C[C@H](Cl)C(=O)O AMY4045 [0,1,0,0,0,0|2,0,1]=4 283 B5R0.5 C[C@H](F)C(=O)O AMY5967 [0,1,0,0,0,0|2,0,1]=4 284 B5R0.5 C[C@H](N)C(=O)O AM20090411 [0,1,0,0,0,0|2,0,1]=4 285 B5R0.5 C[C@H](N)C(=O)O AM20090517 [0,1,0,0,0,0|2,0,1]=4 286 B5R0.5 C[C@H](N)C(=O)O AM20100374 [0,1,0,0,0,0|2,0,1]=4 287 B5R0.5 C[C@H](N)C(N)=O AM20090503 [0,1,0,0,0,0|1,0,1]=3 288 B5R0.5 C[C@H](N)C(N)=O AM81484 [0,1,0,0,0,0|1,0,1]=3 289 B5R0.5 C[C@H](O)C(=N)N AM806558 [0,1,0,0,0,0|1,0,1]=3 290 B5R0.5 C[C@H](O)C(=O)O AM87208 [0,1,0,0,0,0|2,0,1]=4 291 B5R0.5 C[C@H](O)C(=O)[O-] AMY22237 [0,1,0,0,0,0|2,0,1]=4 292 B5R1.2 BrC1CCC1 AM803913 [0,0,0,1,0,0|2,0,0]=3 293 B5R1.2 BrC1CNC1 AMY34832 [0,0,0,1,0,0|1,0,0]=2 294 B5R1.2 BrC1COC1 AM20020035 [0,0,0,1,0,0|2,0,0]=3 295 B5R1.2 CC1CNC1 AM20120351 [0,0,0,1,0,0|0,0,0]=1 296 B5R1.2 C[C@H]1CCN1 AM806564 [0,0,0,1,0,0|2,0,0]=3 297 B5R1.2 ClC1CCC1 AMY6175 [0,0,0,1,0,0|2,0,0]=3 298 B5R1.2 ClC1CNC1 AMY33719 [0,0,0,1,0,0|1,0,0]=2 299 B5R1.2 ClC1COC1 AMY34839 [0,0,0,1,0,0|2,0,0]=3 300 B5R1.2 FC1CNC1 AM20100512 [0,0,0,1,0,0|1,0,0]=2 301 B5R1.2 FC1CNC1 AMY12200 [0,0,0,1,0,0|1,0,0]=2 302 B5R1.2 FC1COC1 AM20020027 [0,0,0,1,0,0|2,0,0]=3 303 B5R1.2 IC1CCC1 AMY6180 [0,0,0,1,0,0|2,0,0]=3 304 B5R1.2 IC1COC1 AM20020026 [0,0,0,1,0,0|2,0,0]=3 305 B5R1.2 NC1CCC1 AMY2668 [0,0,0,1,0,0|2,0,0]=3 306 B5R1.2 NC1CCC1 AMY6177 [0,0,0,1,0,0|2,0,0]=3 307 B5R1.2 NC1CNC1 AMY6172 [0,0,0,1,0,0|1,0,0]=2 308 B5R1.2 NC1COC1 AM20020021 [0,0,0,1,0,0|2,0,0]=3 309 B5R1.2 NC1COC1 AM85383 [0,0,0,1,0,0|2,0,0]=3 310 B5R1.2 NC1CSC1 AM20120367 [0,0,0,1,0,0|2,0,0]=3 311 B5R1.2 N[C@@H]1CCO1 AMY1804 [0,0,0,1,0,0|3,0,0]=4 312 B5R1.2 O=C1CCC1 AM20070575 [0,0,0,1,0,0|2,0,1]=4 313 B5R1.2 O=C1CNC1 AM20090048 [0,0,0,1,0,0|1,0,1]=3 314 B5R1.2 O=C1CNC1 AM20100329 [0,0,0,1,0,0|1,0,1]=3 315 B5R1.2 O=C1COC1 AM20020042 [0,0,0,1,0,0|2,0,1]=4 316 B5R1.2 O=C1CSC1 AM20090216 [0,0,0,1,0,0|2,0,1]=4 317 B5R1.2 OC1CCC1 AM803645 [0,0,0,1,0,0|2,0,0]=3 318 B5R1.2 OC1CNC1 AM20100158 [0,0,0,1,0,0|1,0,0]=2 319 B5R1.2 OC1COC1 AM20020046 [0,0,0,1,0,0|2,0,0]=3 320 B5R1.2 OC1CSC1 AMY35636 [0,0,0,1,0,0|2,0,0]=3 321 B5R1.2 SC1COC1 AMY33758 [0,0,0,1,0,0|2,0,0]=3 322 B5R1.3 BrCC1CC1 AM90231 [0,0,0,1,0,0|1,0,0]=2 323 B5R1.3 BrC[C@H]1CO1 AMY31919 [0,0,0,1,0,0|2,0,0]=3 324 B5R1.3 C#CC1CC1 AM20100625 [0,0,0,1,0,0|1,0,1]=3 325 B5R1.3 C=C[C@@H]1CO1 AMY40815 [0,0,0,1,0,0|2,0,1]=4 326 B5R1.3 CNC1CC1 AM20100262 [0,0,0,1,0,0|2,0,0]=3 327 B5R1.3 CNC1CC1 AM20100622 [0,0,0,1,0,0|2,0,0]=3 328 B5R1.3 ClCC1CC1 AM20100440 [0,0,0,1,0,0|1,0,0]=2 329 B5R1.3 ClC[C@H]1CO1 AM20090809 [0,0,0,1,0,0|2,0,0]=3 330 B5R1.3 ClC[C@H]1CO1 AM20090812 [0,0,0,1,0,0|2,0,0]=3 331 B5R1.3 ClC[C@H]1CO1 AMY40813 [0,0,0,1,0,0|2,0,0]=3 332 B5R1.3 ICC1CC1 AMY6123 [0,0,0,1,0,0|1,0,0]=2 333 B5R1.3 IC[C@H]1CO1 AMY5696 [0,0,0,1,0,0|2,0,0]=3 334 B5R1.3 N#CC1CC1 AMY3403 [0,0,0,1,0,0|0,0,2]=3 335 B5R1.3 NCC1CC1 AM61420 [0,0,0,1,0,0|0,0,0]=1 336 B5R1.3 NNC1CC1 AM10015 [0,0,0,1,0,0|1,0,0]=2 337 B5R1.3 O=CC1CC1 AM90182 [0,0,0,1,0,0|1,0,1]=3 338 B5R1.3 OCC1CC1 AM20090298 [0,0,0,1,0,0|1,0,0]=2 339 B5R1.3 OC[C@H]1CO1 AM20100365 [0,0,0,1,0,0|2,0,0]=3 340 B5R1.3 OC[C@H]1CO1 AM20100474 [0,0,0,1,0,0|2,0,0]=3 341 B5R1.3 OC[C@H]1CO1 AM81447 [0,0,0,1,0,0|2,0,0]=3 342 B5R1.4 CC1CC1N AM806543 [0,0,0,1,0,0|0,0,0]=1 343 B5R1.4 CC1CC1N AM806563 [0,0,0,1,0,0|0,0,0]=1 344 B5R1.4 C[C@H]1C[C@H]1F AMY5813 [0,0,0,1,0,0|1,0,0]=2 345 B5R1.4 FC1CC1Br AMY5835 [0,0,0,1,0,0|2,0,0]=3 346 B5R1.4 N[C@@H]1CC1F AM84389 [0,0,0,1,0,0|1,0,0]=2 347 B5R1.4 N[C@H]1C[C@H]1N AMY35674 [0,0,0,1,0,0|1,0,0]=2 348 B5R1.5 CC1(N)CC1 AM803556 [0,0,0,1,0,0|2,0,0]=3 349 B5R1.5 CC1(O)CC1 AMY38664 [0,0,0,1,0,0|2,0,0]=3 350 B2R0.1 BrCBr AMY11088 [2,0,0,0,0,0|2,0,0]=4 351 B2R0.1 CCC AMY22280 [2,0,0,0,0,0|0,0,0]=2 352 B2R0.1 CCI AMY39500 [2,0,0,0,0,0|1,0,0]=3 353 B2R0.1 CC[O-] AMY14850 [2,0,0,0,0,0|1,0,0]=3 354 B2R0.1 CNC AM90364 [2,0,0,0,0,0|1,0,0]=3 355 B2R0.1 CNC AMY14900 [2,0,0,0,0,0|1,0,0]=3 356 B2R0.1 CNO AMY23438 [2,0,0,0,0,0|2,0,0]=4 357 B2R0.1 CON AM90382 [2,0,0,0,0,0|1,0,0]=3 358 B2R0.1 CSC AMY11755 [2,0,0,0,0,0|1,0,0]=3 359 B2R0.1 CSC AMY14803 [2,0,0,0,0,0|1,0,0]=3 360 B2R0.1 ClCBr AMY11119 [2,0,0,0,0,0|2,0,0]=4 361 B2R0.1 ClCI AMY2690 [2,0,0,0,0,0|2,0,0]=4 362 B2R0.1 FCBr AMY6811 [2,0,0,0,0,0|2,0,0]=4 363 B2R0.1 FCF AMY37122 [2,0,0,0,0,0|2,0,0]=4 364 B2R0.1 ICI AMY25773 [2,0,0,0,0,0|2,0,0]=4 365 B2R0.1 N#CN AMY6233 [2,0,0,0,0,0|1,0,1]=4 366 B2R0.1 N=CN AMY2665 [2,0,0,0,0,0|1,0,1]=4 367 B2R0.1 NC=O AMY3583 [2,0,0,0,0,0|1,0,1]=4 368 B2R0.1 NC=S AMY33487 [2,0,0,0,0,0|1,0,1]=4 369 B4R0.2 BrCCCBr AMY25527 [1,1,0,0,0,0|1,0,0]=3 370 B4R0.2 C#CCCBr AMY1272 [1,1,0,0,0,0|1,0,1]=4 371 B4R0.2 C#CCOC AMY1246 [1,1,0,0,0,0|1,0,1]=4 372 B4R0.2 C#COCC AMY33551 [1,1,0,0,0,0|1,0,1]=4 373 B4R0.2 C=CCCCl AMY11185 [1,1,0,0,0,0|1,0,1]=4 374 B4R0.2 C=CCCO AMY14291 [1,1,0,0,0,0|1,0,1]=4 375 B4R0.2 C=CCNC AMY13350 [1,1,0,0,0,0|0,0,2]=4 376 B4R0.2 C=CCNN AM806419 [1,1,0,0,0,0|0,0,2]=4 377 B4R0.2 C=CCOC AM20100534 [1,1,0,0,0,0|1,0,1]=4 378 B4R0.2 C=CCON AM90375 [1,1,0,0,0,0|0,0,2]=4 379 B4R0.2 CC#CCBr AMY1227 [1,1,0,0,0,0|1,0,1]=4 380 B4R0.2 CC#CCO AMY19259 [1,1,0,0,0,0|1,0,1]=4 381 B4R0.2 CCCCN AMY21914 [1,1,0,0,0,0|0,0,0]=2 382 B4R0.2 CCCNN AM9771 [1,1,0,0,0,0|0,0,0]=2 383 B4R0.2 CCNCC AMY25752 [1,1,0,0,0,0|1,0,0]=3 384 B4R0.2 CCPCC AMY11725 [1,1,0,0,0,0|1,0,0]=3 385 B4R0.2 CC\C=C\Br AMY796 [1,1,0,0,0,0|1,0,1]=4 386 B4R0.2 CNCC#N AM20090317 [1,1,0,0,0,0|0,0,2]=4 387 B4R0.2 CNCCCl AM803928 [1,1,0,0,0,0|1,0,0]=3 388 B4R0.2 CNCCF AMY202003232 [1,1,0,0,0,0|1,0,0]=3 389 B4R0.2 CNCCO AMY32697 [1,1,0,0,0,0|1,0,0]=3 390 B4R0.2 COCCCl AMY25739 [1,1,0,0,0,0|1,0,0]=3 391 B4R0.2 COCCN AM808206 [1,1,0,0,0,0|0,0,0]=2 392 B4R0.2 CSCCCl AMY15533 [1,1,0,0,0,0|1,0,0]=3 393 B4R0.2 CSCCN AMY33509 [1,1,0,0,0,0|0,0,0]=2 394 B4R0.2 CSCCO AMY19250 [1,1,0,0,0,0|1,0,0]=3 395 B4R0.2 C\C=C\CCl AMY618 [1,1,0,0,0,0|1,0,1]=4 396 B4R0.2 C\C=C\CO AMY21936 [1,1,0,0,0,0|1,0,1]=4 397 B4R0.2 ClCCCBr AMY40180 [1,1,0,0,0,0|1,0,0]=3 398 B4R0.2 ClCCCCl AMY22013 [1,1,0,0,0,0|1,0,0]=3 399 B4R0.2 ClCCCI AMY25762 [1,1,0,0,0,0|1,0,0]=3 400 B4R0.2 FCCCBr AMY28674 [1,1,0,0,0,0|1,0,0]=3 401 B4R0.2 N#CCCCl AMY21819 [1,1,0,0,0,0|0,0,2]=4 402 B4R0.2 NCCCBr AM20100225 [1,1,0,0,0,0|0,0,0]=2 403 B4R0.2 NCCCN AMY21886 [1,1,0,0,0,0|0,0,0]=2 404 B4R0.2 NCCON AMY10143 [1,1,0,0,0,0|1,0,0]=3 405 B4R0.2 NNCCO AM20080045 [1,1,0,0,0,0|1,0,0]=3 406 B4R0.2 OCCCBr AM20100533 [1,1,0,0,0,0|1,0,0]=3 407 B4R0.2 OCCCCl AMY9478 [1,1,0,0,0,0|1,0,0]=3 408 B4R0.2 OCCCF AM1014 [1,1,0,0,0,0|1,0,0]=3 409 B4R0.2 SCCCBr AM806637 [1,1,0,0,0,0|1,0,0]=3 410 B4R0.2 [Li]CCCC AMY14790 [1,1,0,0,0,0|1,0,0]=3 411 B4R0.3 CC(C)(C)N AMY14898 [1,1,0,0,0,0|0,0,0]=2 412 B4R0.3 CC(C)(C)N AMY40503 [1,1,0,0,0,0|0,0,0]=2 413 B4R0.3 CC(C)(C)O AMY11058 [1,1,0,0,0,0|0,0,0]=2 414 B4R0.3 CC(C)(C)S AMY28695 [1,1,0,0,0,0|0,0,0]=2 415 B4R0.3 CC(C)(C)[O-] AMY3409 [1,1,0,0,0,0|0,0,0]=2 416 B4R0.3 CC(C)(C)[O-] AMY36772 [1,1,0,0,0,0|0,0,0]=2 417 B4R0.3 CC(C)(C)[O-] AMY39324 [1,1,0,0,0,0|0,0,0]=2 418 B4R0.3 CS(C)(=N)=O AMY3326 [1,1,0,0,0,0|1,0,1]=4 419 B4R0.3 CS(C)(=O)=O AMY25756 [1,1,0,0,0,0|2,0,0]=4 420 B4R0.3 C[N+](C)(C)C AMY13717 [1,1,0,0,0,0|1,0,0]=3 421 B4R0.3 C[N+](C)(C)C AMY15434 [1,1,0,0,0,0|1,0,0]=3 422 B4R0.3 C[N+](C)(C)C AMY22331 [1,1,0,0,0,0|1,0,0]=3 423 B4R0.3 C[N+](C)(C)C AMY6671 [1,1,0,0,0,0|1,0,0]=3 424 B4R0.3 C[N+](C)(C)C AMY6672 [1,1,0,0,0,0|1,0,0]=3 425 B4R0.3 C[P+](C)(C)C AMY13780 [1,1,0,0,0,0|1,0,0]=3 426 B4R0.3 C[S+](C)(C)=O AMY22243 [1,1,0,0,0,0|1,0,0]=3 427 B4R0.3 C[S+](C)(C)=O AMY24038 [1,1,0,0,0,0|1,0,0]=3 428 B4R0.3 C[Si](C)(C)Br AMY39323 [1,1,0,0,0,0|0,1,0]=3 429 B4R0.3 C[Si](C)(C)Cl AMY15614 [1,1,0,0,0,0|0,1,0]=3 430 B4R0.3 C[Si](C)(C)I AMY39353 [1,1,0,0,0,0|0,1,0]=3 431 B4R0.3 C[Si](C)(Cl)Cl AMY40504 [1,1,0,0,0,0|1,1,0]=4 432 B4R0.3 NC(F)(F)F AM101060 [1,1,0,0,0,0|2,0,0]=4 433 B4R0.3 [2H]C([2H])([2H])N AMY014 [1,1,0,0,0,0|2,0,0]=4 434 B4R0.3 [Li]C(C)(C)C AMY14889 [1,1,0,0,0,0|0,0,0]=2 435 B6R0.1 BrCC[C@H](Br)CBr AMY18008 [0,2,0,0,0,0|2,0,0]=4 436 B6R0.1 CCOC(=O)CN AM81786 [0,2,0,0,0,0|1,0,1]=4 437 B6R0.1 CNCC(=O)OC AM82645 [0,2,0,0,0,0|1,0,1]=4 438 B6R0.1 COC(=O)CCN AM20090461 [0,2,0,0,0,0|1,0,1]=4 439 B6R0.1 C[C@@H](CO)CCO AMY37668 [0,2,0,0,0,0|1,0,0]=3 440 B6R0.1 C[C@H](CN)CCN AMY1782 [0,2,0,0,0,0|0,0,0]=2 441 B6R0.1 C[C@H](CO)CCO AMY37676 [0,2,0,0,0,0|1,0,0]=3 442 B6R0.1 N#CC[C@H](O)CCl AM81472 [0,2,0,0,0,0|1,0,1]=4 443 B6R0.1 N#CC[C@H](O)CCl AM81473 [0,2,0,0,0,0|1,0,1]=4 444 B6R0.1 OCC[C@H](O)CO AMY14876 [0,2,0,0,0,0|2,0,0]=4 445 B6R0.1 OCC[C@H](O)CO AMY6061 [0,2,0,0,0,0|2,0,0]=4 446 B6R0.2 CC(=O)CC(C)C AMY11098 [0,2,0,0,0,0|1,0,0]=3 447 B6R0.2 CC(=O)NC(C)C AMY3785 [0,2,0,0,0,0|1,0,1]=4 448 B6R0.2 CC(C)CB(O)O AM80872 [0,2,0,0,0,0|1,0,0]=3 449 B6R0.2 CC(C)CC(=O)O AMY40214 [0,2,0,0,0,0|1,0,0]=3 450 B6R0.2 CC(C)C[C@H](C)N AMY36830 [0,2,0,0,0,0|0,0,0]=2 451 B6R0.2 CC(C)NC(C)C AMY8971 [0,2,0,0,0,0|1,0,0]=3 452 B6R0.2 CC(C)OC(=O)Cl AMY3776 [0,2,0,0,0,0|1,0,1]=4 453 B6R0.2 CC(O)CC(=O)[O-] AMY10051 [0,2,0,0,0,0|2,0,0]=4 454 B6R0.2 CC(O)CC(=O)[O-] AMY10054 [0,2,0,0,0,0|2,0,0]=4 455 B6R0.2 CN(C)CC(=O)O AM20080064 [0,2,0,0,0,0|2,0,0]=4 456 B6R0.2 CN(C)CC(=O)O AM81799 [0,2,0,0,0,0|2,0,0]=4 457 B6R0.2 CN(C)CC(=O)[O-] AMY42162 [0,2,0,0,0,0|2,0,0]=4 458 B6R0.2 CN(C)CC(=O)[O-] AMY42163 [0,2,0,0,0,0|2,0,0]=4 459 B6R0.2 C[C@@H](O)CC(=O)O AMY24176 [0,2,0,0,0,0|2,0,0]=4 460 B6R0.2 C[C@@H](O)CN(C)C AMY16641 [0,2,0,0,0,0|1,0,0]=3 461 B6R0.2 C[C@H](Cl)CN(C)C AM90213 [0,2,0,0,0,0|1,0,0]=3 462 B6R0.2 C[C@H](N)CC(=O)O AM20100008 [0,2,0,0,0,0|2,0,0]=4 463 B6R0.2 C[C@H](N)CC(=O)O AM20100009 [0,2,0,0,0,0|2,0,0]=4 464 B6R0.2 C[C@H](N)CC(=O)O AM20100428 [0,2,0,0,0,0|2,0,0]=4 465 B6R0.2 C[C@H](N)CC(=O)O AM804090 [0,2,0,0,0,0|2,0,0]=4 466 B6R0.2 C[C@H](O)CC(=O)O AMY10050 [0,2,0,0,0,0|2,0,0]=4 467 B6R0.2 C[C@H](O)CC(=O)O AMY24175 [0,2,0,0,0,0|2,0,0]=4 468 B6R0.2 C[C@H](O)CC(=O)[O-] AM86469 [0,2,0,0,0,0|2,0,0]=4 469 B6R0.2 C[C@H](O)CC(=O)[O-] AMY10052 [0,2,0,0,0,0|2,0,0]=4 470 B6R0.2 C[C@H](O)CC(=O)[O-] AMY10055 [0,2,0,0,0,0|2,0,0]=4 471 B6R0.2 C[C@H](O)CN(C)C AMY13331 [0,2,0,0,0,0|1,0,0]=3 472 B6R0.2 C[S+](C)CC(=O)[O-] AM90363 [0,2,0,0,0,0|2,0,0]=4 473 B6R0.3 C=C(I)[C@H](C)CI AMY6046 [0,2,0,0,0,0|1,0,1]=4 474 B6R0.3 CC(=O)[C@@H](C)C=O AMY6397 [0,2,0,0,0,0|1,0,1]=4 475 B6R0.3 CC(C)C(=N)NO AM803769 [0,2,0,0,0,0|0,0,1]=3 476 B6R0.3 CC(C)C(=O)NN AMY3958 [0,2,0,0,0,0|0,0,1]=3 477 B6R0.3 CC(C)[C@@H](C)CO AMY19225 [0,2,0,0,0,0|1,0,0]=3 478 B6R0.3 CC(C)[C@@H](N)CO AM20080457 [0,2,0,0,0,0|0,0,0]=2 479 B6R0.3 CC(C)[C@@H](N)CO AM20090150 [0,2,0,0,0,0|0,0,0]=2 480 B6R0.3 CC(C)[C@@H](N)CO AM20100129 [0,2,0,0,0,0|0,0,0]=2 481 B6R0.3 CC(C)[C@H](N)C#N AMY32625 [0,2,0,0,0,0|0,0,0]=2 482 B6R0.3 CC(C)\C(Cl)=N\O AMY37414 [0,2,0,0,0,0|0,0,2]=4 483 B6R0.3 CCC(=O)N(C)C AMY38676 [0,2,0,0,0,0|2,0,0]=4 484 B6R0.3 CCC(=O)[C@H](C)Br AMY6079 [0,2,0,0,0,0|2,0,0]=4 485 B6R0.3 CC[C@@H](N)C(N)=O AMY725 [0,2,0,0,0,0|1,0,1]=4 486 B6R0.3 CC[C@H](C)B(O)O AM85121 [0,2,0,0,0,0|2,0,0]=4 487 B6R0.3 CC[C@H](C)C(=O)O AM802977 [0,2,0,0,0,0|1,0,1]=4 488 B6R0.3 CC[C@H](N)C(N)=O AM20100759 [0,2,0,0,0,0|1,0,1]=4 489 B6R0.3 CC[C@H](N)C(N)=O AM20120294 [0,2,0,0,0,0|1,0,1]=4 490 B6R0.3 CN(C)C(=O)CCl AM84854 [0,2,0,0,0,0|2,0,0]=4 491 B6R0.3 CN(C)C(=O)CI AM805909 [0,2,0,0,0,0|2,0,0]=4 492 B6R0.3 CN(C)C(=O)CN AM20100689 [0,2,0,0,0,0|1,0,0]=3 493 B6R0.3 CN(C)C(=O)CN AMY4281 [0,2,0,0,0,0|1,0,0]=3 494 B6R0.3 CN[C@@H](C)C(=O)O AM81482 [0,2,0,0,0,0|1,0,1]=4 495 B6R0.3 CN[C@@H](C)C(=O)O AM82991 [0,2,0,0,0,0|1,0,1]=4 496 B6R0.3 CN[C@@H](C)C(=O)O AM9397 [0,2,0,0,0,0|1,0,1]=4 497 B6R0.3 CN[C@@H](C)C(=O)[O-] AM9064 [0,2,0,0,0,0|1,0,1]=4 498 B6R0.3 CN[C@@H](C)C(C)C AMY37353 [0,2,0,0,0,0|0,0,0]=2 499 B6R0.3 CN[C@H](C)C(=O)O AMY25382 [0,2,0,0,0,0|1,0,1]=4 500 B6R0.3 COC(=O)[C@H](C)N AM20080254 [0,2,0,0,0,0|1,0,1]=4 501 B6R0.3 COC(=O)[C@H](C)N AM20090283 [0,2,0,0,0,0|1,0,1]=4 502 B6R0.3 COC(=O)[C@H](C)N AM81485 [0,2,0,0,0,0|1,0,1]=4 503 B6R0.3 CO[C@H](C)C(=O)O AM84813 [0,2,0,0,0,0|1,0,1]=4 504 B6R0.3 C[C@@H](CN)C(=O)O AMY22008 [0,2,0,0,0,0|0,0,1]=3 505 B6R0.3 C[C@@H](CO)C(=O)O AMY18825 [0,2,0,0,0,0|1,0,1]=4 506 B6R0.3 C[C@@H](O)[C@H](N)CO AMY22530 [0,2,0,0,0,0|1,0,0]=3 507 B6R0.3 NC(=O)C(N)CO AM806435 [0,2,0,0,0,0|1,0,1]=4 508 B6R0.3 NC(=O)[C@@H](N)CO AM20100594 [0,2,0,0,0,0|1,0,1]=4 509 B6R0.3 NC[C@H](N)C(=O)O AM20080367 [0,2,0,0,0,0|1,0,1]=4 510 B6R0.3 NC[C@H](N)C(=O)O AM20100354 [0,2,0,0,0,0|1,0,1]=4 511 B6R0.3 NC[C@H](N)C(=O)O AM20100470 [0,2,0,0,0,0|1,0,1]=4 512 B6R0.3 NC[C@H](O)C(=O)O AM1113 [0,2,0,0,0,0|1,0,1]=4 513 B6R0.3 NC[C@H](O)C(=O)O AM82574 [0,2,0,0,0,0|1,0,1]=4 514 B6R0.4 CC(=O)NCCN AMY40665 [0,2,0,0,0,0|1,0,1]=4 515 B6R0.4 CC(C)CCCO AMY39142 [0,2,0,0,0,0|1,0,0]=3 516 B6R0.4 CC(C)CON=O AMY4012 [0,2,0,0,0,0|0,0,1]=3 517 B6R0.4 CC(C)NCCCl AMY31121 [0,2,0,0,0,0|1,0,0]=3 518 B6R0.4 CC(C)OCCBr AM80879 [0,2,0,0,0,0|1,0,0]=3 519 B6R0.4 CCCCN(C)C AMY25818 [0,2,0,0,0,0|2,0,0]=4 520 B6R0.4 CN(C)CCCCl AM84336 [0,2,0,0,0,0|2,0,0]=4 521 B6R0.4 CN(C)CCCCl AM90218 [0,2,0,0,0,0|2,0,0]=4 522 B6R0.4 CN(C)CCON AMY27281 [0,2,0,0,0,0|1,0,0]=3 523 B6R0.4 CNCCC(C)C AMY37348 [0,2,0,0,0,0|0,0,0]=2 524 B6R0.4 CNCCC(C)C AMY37370 [0,2,0,0,0,0|0,0,0]=2 525 B6R0.4 CNCCN(C)C AMY10373 [0,2,0,0,0,0|1,0,0]=3 526 B6R0.4 C[C@H](Br)CCCBr AMY2526 [0,2,0,0,0,0|2,0,0]=4 527 B6R0.5 C#CCC(C)(C)O AM806691 [0,2,0,0,0,0|1,0,0]=3 528 B6R0.5 C#CC[Si](C)(C)C AMY6982 [0,2,0,0,0,0|1,1,0]=4 529 B6R0.5 C=CC[Si](C)(C)C AMY7007 [0,2,0,0,0,0|1,1,0]=4 530 B6R0.5 C=CC[Si](C)(C)Cl AMY19831 [0,2,0,0,0,0|1,1,0]=4 531 B6R0.5 CC(C)(C)CC=O AM20090398 [0,2,0,0,0,0|1,0,0]=3 532 B6R0.5 CC(C)(C)CCO AM20100528 [0,2,0,0,0,0|1,0,0]=3 533 B6R0.5 CC(C)(C)N=C=S AMY23377 [0,2,0,0,0,0|1,0,1]=4 534 B6R0.5 CC(C)(C)ON=O AMY4009 [0,2,0,0,0,0|1,0,1]=4 535 B6R0.5 CC(C)(N)CCO AMY117 [0,2,0,0,0,0|1,0,0]=3 536 B6R0.5 CC(C)(O)CCN AMY42489 [0,2,0,0,0,0|0,0,0]=2 537 B6R0.5 CCO[Si](C)(C)C AMY7005 [0,2,0,0,0,0|1,1,0]=4 538 B6R0.5 CNCC(C)(C)O AM807013 [0,2,0,0,0,0|0,0,0]=2 539 B6R0.5 CNCC(F)(F)F AMY202100063 [0,2,0,0,0,0|2,0,0]=4 540 B6R0.5 COCC(C)(C)O AMY9274 [0,2,0,0,0,0|1,0,0]=3 541 B6R0.5 CS(=O)(=O)CCN AM20070694 [0,2,0,0,0,0|2,0,0]=4 542 B6R0.5 C[N+](C)(C)CCO AMY13894 [0,2,0,0,0,0|2,0,0]=4 543 B6R0.5 C[N+](C)(C)CCO AMY13898 [0,2,0,0,0,0|2,0,0]=4 544 B6R0.5 C[Si](C)(C)CCO AMY28668 [0,2,0,0,0,0|1,1,0]=4 545 B6R0.5 NCCC(F)(F)F AM20090393 [0,2,0,0,0,0|2,0,0]=4 546 B6R0.5 NCCC(F)(F)F AMY15153 [0,2,0,0,0,0|2,0,0]=4 547 B6R0.8 C#C[C@@](C)(O)CC AMY4108 [0,2,0,0,0,0|1,0,1]=4 548 B6R0.8 CC(C)(CCl)CCl AMY32075 [0,2,0,0,0,0|1,0,0]=3 549 B6R0.8 CC(C)(CI)CI AMY32061 [0,2,0,0,0,0|1,0,0]=3 550 B6R0.8 CC(C)(CN)CO AMY14344 [0,2,0,0,0,0|0,0,0]=2 551 B6R0.8 CC(C)(CO)CCl AMY42053 [0,2,0,0,0,0|1,0,0]=3 552 B6R0.8 CC(C)(CO)CO AMY25552 [0,2,0,0,0,0|1,0,0]=3 553 B6R0.8 CC(N)(CO)CO AMY14265 [0,2,0,0,0,0|1,0,0]=3 554 B6R0.8 CC[C@](C)(N)CN AMY40943 [0,2,0,0,0,0|0,0,0]=2 555 B6R0.8 CC[C@](C)(O)CN AMY24170 [0,2,0,0,0,0|0,0,0]=2 556 B6R0.8 CNC(C)(C)CO AM85695 [0,2,0,0,0,0|1,0,0]=3 557 B6R0.8 COC(C)(C)CBr AM806263 [0,2,0,0,0,0|1,0,0]=3 558 B6R0.8 COC(C)(C)CN AMY36536 [0,2,0,0,0,0|0,0,0]=2 559 B6R0.8 COC(C)(C)CO AM90075 [0,2,0,0,0,0|1,0,0]=3 560 B6R0.8 NCC(F)(F)CN AM806163 [0,2,0,0,0,0|1,0,0]=3 561 B6R0.8 NCC(F)(F)CN AMY14720 [0,2,0,0,0,0|1,0,0]=3 562 B6R0.8 NCC(F)(F)CO AMY14719 [0,2,0,0,0,0|1,0,0]=3 563 B6R0.8 OCC(F)(F)CO AMY7075 [0,2,0,0,0,0|2,0,0]=4 564 B6R0.9 C=C[C@@H](CC)CO AMY36984 [0,2,0,0,0,0|1,0,1]=4 565 B6R0.9 CCC(CC)NN AM10003 [0,2,0,0,0,0|1,0,0]=3 566 B6R0.9 CCC(CC)NN AM10008 [0,2,0,0,0,0|1,0,0]=3 567 B6R0.9 CCC(CO)CO AM10034 [0,2,0,0,0,0|1,0,0]=3 568 B6R0.9 CCN(CC)CC AMY14826 [0,2,0,0,0,0|2,0,0]=4 569 B6R0.9 CCP(CC)CC AMY11700 [0,2,0,0,0,0|2,0,0]=4 570 B6R0.9 CC[BH-](CC)CC AMY14847 [0,2,0,0,0,0|2,0,0]=4 571 B6R0.9 CC[O+](CC)CC AMY13411 [0,2,0,0,0,0|2,0,0]=4 572 B6R0.9 COC(CCl)OC AMY3314 [0,2,0,0,0,0|1,0,0]=3 573 B6R0.9 COC(OC)OC AMY41181 [0,2,0,0,0,0|2,0,0]=4 574 B6R0.9 OCC(CO)CO AM20100186 [0,2,0,0,0,0|1,0,0]=3 575 B6R0.7 CC(=O)C(C)(C)N AM806454 [0,2,0,0,0,0|1,0,1]=4 576 B6R0.7 CC(=O)C(C)(C)O AM84347 [0,2,0,0,0,0|1,0,1]=4 577 B6R0.7 CC(C)(Br)C(=O)Br AM84723 [0,2,0,0,0,0|1,0,1]=4 578 B6R0.7 CC(C)(Br)C(=O)O AM20090161 [0,2,0,0,0,0|1,0,1]=4 579 B6R0.7 CC(C)(Br)C(N)=O AMY7268 [0,2,0,0,0,0|0,0,1]=3 580 B6R0.7 CC(C)(C)C(=N)N AM804113 [0,2,0,0,0,0|0,0,1]=3 581 B6R0.7 CC(C)(C)C(=N)N AMY25598 [0,2,0,0,0,0|0,0,1]=3 582 B6R0.7 CC(C)(C)C(N)=S AM20100553 [0,2,0,0,0,0|0,0,1]=3 583 B6R0.7 CC(C)(C)[S@@](N)=O AM20080353 [0,2,0,0,0,0|1,0,0]=3 584 B6R0.7 CC(C)(C)[S@@](N)=O AM62752 [0,2,0,0,0,0|1,0,0]=3 585 B6R0.7 CC(C)(C)[S@@](N)=O AM62767 [0,2,0,0,0,0|1,0,0]=3 586 B6R0.7 CC(C)(N)C(=O)O AM20100517 [0,2,0,0,0,0|1,0,1]=4 587 B6R0.7 CC(C)(N)C(N)=O AMY20154 [0,2,0,0,0,0|0,0,1]=3 588 B6R0.7 CC(C)C(C)(C)C AMY31971 [0,2,0,0,0,0|1,0,0]=3 589 B6R0.7 CC(C)[Si](C)(C)Cl AMY42251 [0,2,0,0,0,0|1,1,0]=4 590 B6R0.7 CN(C)S(N)(=O)=O AM20100051 [0,2,0,0,0,0|2,0,0]=4 591 B6R0.7 C[C@@H](N)C(F)(F)F AMY3240 [0,2,0,0,0,0|2,0,0]=4 592 B6R0.7 C[C@H](N)C(F)(F)F AM803120 [0,2,0,0,0,0|2,0,0]=4 593 B6R0.7 C[C@H](N)C(F)(F)F AM84903 [0,2,0,0,0,0|2,0,0]=4 594 B6R0.7 C[C@H](N)C(F)(F)F AMY2934 [0,2,0,0,0,0|2,0,0]=4 595 B6R0.7 C[C@H](O)C(F)(F)F AMY6775 [0,2,0,0,0,0|2,0,0]=4 596 B6R0.7 C[SiH](C)C(C)(C)C AMY42267 [0,2,0,0,0,0|1,1,0]=4 597 B6R0.7 C[Si](C)(C)C(F)F AMY6657 [0,2,0,0,0,0|1,1,0]=4 598 B4R1.1 C1CNC1 AM20080889 [1,0,0,1,0,0|0,0,0]=2 599 B4R1.1 C1CNC1 AM20090583 [1,0,0,1,0,0|0,0,0]=2 600 B4R1.1 C1COC1 AM20020039 [1,0,0,1,0,0|1,0,0]=3 601 B4R1.2 BrC1CC1 AM90210 [1,0,0,1,0,0|1,0,0]=3 602 B4R1.2 C[C@H]1CO1 AM81470 [1,0,0,1,0,0|1,0,0]=3 603 B4R1.2 C[C@H]1CO1 AM81471 [1,0,0,1,0,0|1,0,0]=3 604 B4R1.2 NC1CC1 AM804333 [1,0,0,1,0,0|0,0,0]=2 605 B4R1.2 OC1CC1 AMY35209 [1,0,0,1,0,0|1,0,0]=3 606 B6R1.2 BrC1CCCC1 AM20080273 [0,1,0,1,0,0|2,0,0]=4 607 B6R1.2 Br[C@H]1CCNC1 AM101739 [0,1,0,1,0,0|1,0,0]=3 608 B6R1.2 Br[C@H]1CCNC1 AM101740 [0,1,0,1,0,0|1,0,0]=3 609 B6R1.2 Br[C@H]1CCNC1 AM101781 [0,1,0,1,0,0|1,0,0]=3 610 B6R1.2 Br[C@H]1CCNC1 AM91615 [0,1,0,1,0,0|1,0,0]=3 611 B6R1.2 Br[C@H]1CCNC1 AM96305 [0,1,0,1,0,0|1,0,0]=3 612 B6R1.2 Br[C@H]1CCNC1 AM96372 [0,1,0,1,0,0|1,0,0]=3 613 B6R1.2 Br[C@H]1CCOC1 AM20090126 [0,1,0,1,0,0|2,0,0]=4 614 B6R1.2 CC1=CCCC1 AMY6023 [0,1,0,1,0,0|1,0,1]=4 615 B6R1.2 CC1=NCCC1 AMY886 [0,1,0,1,0,0|1,0,1]=4 616 B6R1.2 CC1CCCC1 AMY21930 [0,1,0,1,0,0|1,0,0]=3 617 B6R1.2 CN1CCCC1 AMY25542 [0,1,0,1,0,0|2,0,0]=4 618 B6R1.2 C[C@@H]1CCNC1 AMY37511 [0,1,0,1,0,0|0,0,0]=2 619 B6R1.2 C[C@H]1CCCN1 AM20080260 [0,1,0,1,0,0|1,0,0]=3 620 B6R1.2 C[C@H]1CCCN1 AM20090040 [0,1,0,1,0,0|1,0,0]=3 621 B6R1.2 C[C@H]1CCCN1 AM20100102 [0,1,0,1,0,0|1,0,0]=3 622 B6R1.2 C[C@H]1CCCN1 AM20100445 [0,1,0,1,0,0|1,0,0]=3 623 B6R1.2 C[C@H]1CCCN1 AM20100751 [0,1,0,1,0,0|1,0,0]=3 624 B6R1.2 C[C@H]1CCCO1 AM81816 [0,1,0,1,0,0|1,0,0]=3 625 B6R1.2 C[C@H]1CCNC1 AM803039 [0,1,0,1,0,0|0,0,0]=2 626 B6R1.2 C[C@H]1CCNC1 AM803735 [0,1,0,1,0,0|0,0,0]=2 627 B6R1.2 C[C@H]1CCNC1 AMY37562 [0,1,0,1,0,0|0,0,0]=2 628 B6R1.2 ClC1CCCC1 AMY22306 [0,1,0,1,0,0|2,0,0]=4 629 B6R1.2 Cl[C@H]1CCNC1 AM90551 [0,1,0,1,0,0|1,0,0]=3 630 B6R1.2 Cl[C@H]1CCNC1 AM90553 [0,1,0,1,0,0|1,0,0]=3 631 B6R1.2 Cl[C@H]1CCNC1 AM90576 [0,1,0,1,0,0|1,0,0]=3 632 B6R1.2 Cl[C@H]1CCNC1 AM90577 [0,1,0,1,0,0|1,0,0]=3 633 B6R1.2 Cl[C@H]1CCNC1 AM91617 [0,1,0,1,0,0|1,0,0]=3 634 B6R1.2 Cl[C@H]1CCNC1 AM96290 [0,1,0,1,0,0|1,0,0]=3 635 B6R1.2 Cl[C@H]1CCOC1 AM100455 [0,1,0,1,0,0|2,0,0]=4 636 B6R1.2 F[C@H]1CCNC1 AM20080115 [0,1,0,1,0,0|1,0,0]=3 637 B6R1.2 F[C@H]1CCNC1 AM20080270 [0,1,0,1,0,0|1,0,0]=3 638 B6R1.2 F[C@H]1CCNC1 AM20080271 [0,1,0,1,0,0|1,0,0]=3 639 B6R1.2 F[C@H]1CCNC1 AM20090020 [0,1,0,1,0,0|1,0,0]=3 640 B6R1.2 F[C@H]1CCNC1 AMY41754 [0,1,0,1,0,0|1,0,0]=3 641 B6R1.2 IC1CCCC1 AMY3844 [0,1,0,1,0,0|2,0,0]=4 642 B6R1.2 I[C@H]1CCNC1 AM91594 [0,1,0,1,0,0|1,0,0]=3 643 B6R1.2 I[C@H]1CCNC1 AM91619 [0,1,0,1,0,0|1,0,0]=3 644 B6R1.2 I[C@H]1CCNC1 AM91621 [0,1,0,1,0,0|1,0,0]=3 645 B6R1.2 I[C@H]1CCNC1 AM92136 [0,1,0,1,0,0|1,0,0]=3 646 B6R1.2 I[C@H]1CCNC1 AM95453 [0,1,0,1,0,0|1,0,0]=3 647 B6R1.2 I[C@H]1CCNC1 AM96429 [0,1,0,1,0,0|1,0,0]=3 648 B6R1.2 I[C@H]1CCOC1 AM20080159 [0,1,0,1,0,0|2,0,0]=4 649 B6R1.2 NC1CC=CC1 AM20120323 [0,1,0,1,0,0|2,0,0]=4 650 B6R1.2 NC1CCCC1 AMY3757 [0,1,0,1,0,0|2,0,0]=4 651 B6R1.2 N[C@@H]1CCCN1 AMY9118 [0,1,0,1,0,0|2,0,0]=4 652 B6R1.2 N[C@H]1CCNC1 AM81992 [0,1,0,1,0,0|1,0,0]=3 653 B6R1.2 N[C@H]1CCNC1 AM81993 [0,1,0,1,0,0|1,0,0]=3 654 B6R1.2 N[C@H]1CCNC1 AM85320 [0,1,0,1,0,0|1,0,0]=3 655 B6R1.2 N[C@H]1CCOC1 AM20080063 [0,1,0,1,0,0|2,0,0]=4 656 B6R1.2 N[C@H]1CCOC1 AM20120276 [0,1,0,1,0,0|2,0,0]=4 657 B6R1.2 N[C@H]1CCOC1 AM62692 [0,1,0,1,0,0|2,0,0]=4 658 B6R1.2 N[C@H]1CCOC1 AMY4352 [0,1,0,1,0,0|2,0,0]=4 659 B6R1.2 N[C@H]1CCOC1 AMY5964 [0,1,0,1,0,0|2,0,0]=4 660 B6R1.2 O=C1CCNC1 AM20120384 [0,1,0,1,0,0|1,0,1]=4 661 B6R1.2 O=C1CCNC1 AMY6183 [0,1,0,1,0,0|1,0,1]=4 662 B6R1.2 O=C1CNCN1 AM84594 [0,1,0,1,0,0|1,0,1]=4 663 B6R1.2 OC1CC=CC1 AMY9178 [0,1,0,1,0,0|2,0,0]=4 664 B6R1.2 OC1CCCC1 AMY3616 [0,1,0,1,0,0|2,0,0]=4 665 B6R1.2 O[C@@H]1CCCO1 AMY20193 [0,1,0,1,0,0|2,0,0]=4 666 B6R1.2 O[C@@H]1CCNO1 AMY37646 [0,1,0,1,0,0|2,0,0]=4 667 B6R1.2 O[C@H]1CCNC1 AM20070695 [0,1,0,1,0,0|1,0,0]=3 668 B6R1.2 O[C@H]1CCNC1 AM20080166 [0,1,0,1,0,0|1,0,0]=3 669 B6R1.2 O[C@H]1CCNC1 AM20090354 [0,1,0,1,0,0|1,0,0]=3 670 B6R1.2 O[C@H]1CCNC1 AM20100082 [0,1,0,1,0,0|1,0,0]=3 671 B6R1.2 O[C@H]1CCNC1 AM90404 [0,1,0,1,0,0|1,0,0]=3 672 B6R1.2 O[C@H]1CCNO1 AMY37647 [0,1,0,1,0,0|2,0,0]=4 673 B6R1.2 O[C@H]1CCOC1 AM20100156 [0,1,0,1,0,0|2,0,0]=4 674 B6R1.2 O[C@H]1CCOC1 AM20110236 [0,1,0,1,0,0|2,0,0]=4 675 B6R1.2 O[C@H]1CCOC1 AM20110237 [0,1,0,1,0,0|2,0,0]=4 676 B6R1.2 O[C@H]1CCSC1 AM20090505 [0,1,0,1,0,0|2,0,0]=4 677 B6R1.2 S[C@H]1CCOC1 AM101772 [0,1,0,1,0,0|2,0,0]=4 678 B6R1.3 BrCCC1CC1 AMY202003230 [0,1,0,1,0,0|1,0,0]=3 679 B6R1.3 BrCC[C@H]1CO1 AMY20094 [0,1,0,1,0,0|2,0,0]=4 680 B6R1.3 CNCC1CC1 AM803431 [0,1,0,1,0,0|0,0,0]=2 681 B6R1.3 CNCC1CC1 AMY34463 [0,1,0,1,0,0|0,0,0]=2 682 B6R1.3 COC[C@H]1CO1 AM20120337 [0,1,0,1,0,0|2,0,0]=4 683 B6R1.3 ICCC1CC1 AMY34362 [0,1,0,1,0,0|1,0,0]=3 684 B6R1.3 N#CCC1CC1 AM20100595 [0,1,0,1,0,0|0,0,1]=3 685 B6R1.3 NCCC1CC1 AMY39140 [0,1,0,1,0,0|0,0,0]=2 686 B6R1.3 NCCC1CC1 AMY4139 [0,1,0,1,0,0|0,0,0]=2 687 B6R1.3 NNCC1CC1 AM10018 [0,1,0,1,0,0|0,0,0]=2 688 B6R1.3 NNCC1CC1 AMY16104 [0,1,0,1,0,0|0,0,0]=2 689 B6R1.3 NOCC1CC1 AM90383 [0,1,0,1,0,0|0,0,0]=2 690 B6R1.3 O=CNC1CC1 AM804092 [0,1,0,1,0,0|1,0,1]=4 691 B6R1.3 OCCC1CC1 AMY3915 [0,1,0,1,0,0|1,0,0]=3 692 B6R1.3 S=C=NC1CC1 AM20080903 [0,1,0,1,0,0|1,0,1]=4 693 B6R1.5 C=C1CC(N)C1 AM84287 [0,1,0,1,0,0|0,0,2]=4 694 B6R1.5 C=C1CC(N)C1 AM84288 [0,1,0,1,0,0|0,0,2]=4 695 B6R1.5 CC1CC(=O)C1 AM806996 [0,1,0,1,0,0|1,0,0]=3 696 B6R1.5 CN1CC(N)C1 AMY4272 [0,1,0,1,0,0|1,0,0]=3 697 B6R1.5 CN1CC(O)C1 AM802928 [0,1,0,1,0,0|1,0,0]=3 698 B6R1.5 CN1CC(O)C1 AMY9067 [0,1,0,1,0,0|1,0,0]=3 699 B6R1.5 NC1CC(=O)C1 AM20070559 [0,1,0,1,0,0|1,0,1]=4 700 B6R1.5 NC1CC(F)C1 AMY6159 [0,1,0,1,0,0|1,0,0]=3 701 B6R1.5 NC1CC(N)C1 AM85963 [0,1,0,1,0,0|1,0,0]=3 702 B6R1.5 NC1CC(O)C1 AM20070560 [0,1,0,1,0,0|1,0,0]=3 703 B6R1.5 NC1CC(O)C1 AM20070615 [0,1,0,1,0,0|1,0,0]=3 704 B6R1.5 N[C@H]1C[C@@H](F)C1 AMY34065 [0,1,0,1,0,0|1,0,0]=3 705 B6R1.5 N[C@H]1C[C@@H](N)C1 AMY34052 [0,1,0,1,0,0|1,0,0]=3 706 B6R1.5 N[C@H]1C[C@@H](O)C1 AM807002 [0,1,0,1,0,0|1,0,0]=3 707 B6R1.5 N[C@H]1C[C@H](F)C1 AMY34300 [0,1,0,1,0,0|1,0,0]=3 708 B6R1.5 N[C@H]1C[C@H](O)C1 AM807001 [0,1,0,1,0,0|1,0,0]=3 709 B6R1.5 N[C@H]1C[C@H](O)C1 AMY11818 [0,1,0,1,0,0|1,0,0]=3 710 B6R1.5 O=C1CC(O)C1 AMY33736 [0,1,0,1,0,0|2,0,0]=4 711 B6R1.5 OC1CC(F)C1 AMY33730 [0,1,0,1,0,0|2,0,0]=4 712 B6R1.5 O[C@H]1C[C@H](F)C1 AMY34301 [0,1,0,1,0,0|2,0,0]=4 713 B6R1.8 CC1CC1CN AM806562 [0,1,0,1,0,0|0,0,0]=2 714 B6R1.8 CC1CC1CO AM804126 [0,1,0,1,0,0|1,0,0]=3 715 B6R1.8 OC[C@@H]1C[C@@H]1F AMY5785 [0,1,0,1,0,0|1,0,0]=3 716 B6R1.10 CC1(C)CNC1 AMY14184 [0,1,0,1,0,0|0,0,0]=2 717 B6R1.10 CC1(C)COC1 AM20020043 [0,1,0,1,0,0|1,0,0]=3 718 B6R1.10 CC1(N)CCC1 AM808140 [0,1,0,1,0,0|1,0,0]=3 719 B6R1.10 CC1(N)CCC1 AMY1785 [0,1,0,1,0,0|1,0,0]=3 720 B6R1.10 CC1(N)COC1 AM20020051 [0,1,0,1,0,0|1,0,0]=3 721 B6R1.10 CC1(O)CNC1 AM81138 [0,1,0,1,0,0|0,0,0]=2 722 B6R1.10 CC1(O)COC1 AMY33735 [0,1,0,1,0,0|1,0,0]=3 723 B6R1.10 FC1(F)CNC1 AM20090379 [0,1,0,1,0,0|1,0,0]=3 724 B6R1.10 FC1(F)COC1 AMY15567 [0,1,0,1,0,0|2,0,0]=4 725 B6R1.11 CC(=O)C1CC1 AM83286 [0,1,0,1,0,0|1,0,1]=4 726 B6R1.11 C[C@H](N)C1CC1 AM804149 [0,1,0,1,0,0|0,0,0]=2 727 B6R1.11 C[C@H](N)C1CC1 AM806511 [0,1,0,1,0,0|0,0,0]=2 728 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|0,0,1]=3 730 B6R1.11 N=C(N)C1CC1 AMY202003285 [0,1,0,1,0,0|0,0,1]=3 731 B6R1.11 NC(=O)C1CC1 AM20100524 [0,1,0,1,0,0|0,0,1]=3 732 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|0,0,1]=3 734 B6R1.11 O=C(Cl)C1CC1 AMY3975 [0,1,0,1,0,0|1,0,1]=4 735 B6R1.11 O=C(O)C1CC1 AM83282 [0,1,0,1,0,0|1,0,1]=4 736 B6R1.11 O=[S@]([O-])C1CC1 AMY20620 [0,1,0,1,0,0|2,0,0]=4 737 B6R1.11 OB(O)C1CC1 AM20100093 [0,1,0,1,0,0|2,0,0]=4 738 B6R1.6 BrCC1CCC1 AM20070598 [0,1,0,1,0,0|1,0,0]=3 739 B6R1.6 BrCC1COC1 AM807116 [0,1,0,1,0,0|1,0,0]=3 740 B6R1.6 BrC[C@H]1CCO1 AM20020056 [0,1,0,1,0,0|1,0,0]=3 741 B6R1.6 CNC1CNC1 AM20090279 [0,1,0,1,0,0|0,0,0]=2 742 B6R1.6 CNC1CNC1 AMY34231 [0,1,0,1,0,0|0,0,0]=2 743 B6R1.6 CNC1COC1 AM20020057 [0,1,0,1,0,0|1,0,0]=3 744 B6R1.6 CNC1COC1 AMY5742 [0,1,0,1,0,0|1,0,0]=3 745 B6R1.6 COC1CNC1 AM20080370 [0,1,0,1,0,0|0,0,0]=2 746 B6R1.6 COC1CNC1 AMY33741 [0,1,0,1,0,0|0,0,0]=2 747 B6R1.6 CSC1CNC1 AM20080315 [0,1,0,1,0,0|0,0,0]=2 748 B6R1.6 ClCC1CCC1 AMY31015 [0,1,0,1,0,0|1,0,0]=3 749 B6R1.6 ClCC1COC1 AM807016 [0,1,0,1,0,0|1,0,0]=3 750 B6R1.6 ClC[C@H]1CCO1 AM807017 [0,1,0,1,0,0|1,0,0]=3 751 B6R1.6 ICC1CCC1 AMY34464 [0,1,0,1,0,0|1,0,0]=3 752 B6R1.6 ICC1COC1 AM807382 [0,1,0,1,0,0|1,0,0]=3 753 B6R1.6 IC[C@H]1CCO1 AM20020012 [0,1,0,1,0,0|1,0,0]=3 754 B6R1.6 N#CC1CCC1 AM20070614 [0,1,0,1,0,0|0,0,2]=4 755 B6R1.6 N#CC1CNC1 AM20090541 [0,1,0,1,0,0|0,0,1]=3 756 B6R1.6 N#C[C@H]1CCN1 AMY35836 [0,1,0,1,0,0|0,0,2]=4 757 B6R1.6 NCC1CCC1 AM20070613 [0,1,0,1,0,0|0,0,0]=2 758 B6R1.6 NCC1COC1 AM20020041 [0,1,0,1,0,0|0,0,0]=2 759 B6R1.6 NC[C@H]1CCN1 AM20070687 [0,1,0,1,0,0|0,0,0]=2 760 B6R1.6 NC[C@H]1CCO1 AM20020052 [0,1,0,1,0,0|0,0,0]=2 761 B6R1.6 NNC1CCC1 AM9769 [0,1,0,1,0,0|1,0,0]=3 762 B6R1.6 NNC1CCC1 AM9783 [0,1,0,1,0,0|1,0,0]=3 763 B6R1.6 NNC1COC1 AM9958 [0,1,0,1,0,0|1,0,0]=3 764 B6R1.6 O=CC1CCC1 AM90197 [0,1,0,1,0,0|1,0,1]=4 765 B6R1.6 O=CC1COC1 AMY38489 [0,1,0,1,0,0|1,0,1]=4 766 B6R1.6 OCC1CCC1 AM90211 [0,1,0,1,0,0|1,0,0]=3 767 B6R1.6 OCC1CNC1 AM20120333 [0,1,0,1,0,0|0,0,0]=2 768 B6R1.6 OCC1CNC1 AMY6173 [0,1,0,1,0,0|0,0,0]=2 769 B6R1.6 OCC1COC1 AM806983 [0,1,0,1,0,0|1,0,0]=3 770 B6R1.6 OC[C@H]1CCO1 AM807004 [0,1,0,1,0,0|1,0,0]=3 771 B6R1.7 C#CC1(N)CC1 AMY34606 [0,1,0,1,0,0|1,0,1]=4 772 B6R1.7 CC1(CN)CC1 AM806561 [0,1,0,1,0,0|0,0,0]=2 773 B6R1.7 CC1(CN)CC1 AMY19193 [0,1,0,1,0,0|0,0,0]=2 774 B6R1.7 CC1(CO)CC1 AM803621 [0,1,0,1,0,0|1,0,0]=3 775 B6R1.7 C[C@]1(CO)CO1 AM806634 [0,1,0,1,0,0|1,0,0]=3 776 B6R1.7 C[C@]1(CO)CO1 AM85933 [0,1,0,1,0,0|1,0,0]=3 777 B6R1.7 N#CC1(Br)CC1 AMY18834 [0,1,0,1,0,0|0,0,2]=4 778 B6R1.7 N#CC1(N)CC1 AM20080205 [0,1,0,1,0,0|0,0,2]=4 779 B6R1.7 NC1(CO)CC1 AM81133 [0,1,0,1,0,0|1,0,0]=3 780 B6R1.7 NC1(CO)CC1 AMY5592 [0,1,0,1,0,0|1,0,0]=3 781 B6R1.7 NCC1(F)CC1 AMY202003206 [0,1,0,1,0,0|0,0,0]=2 782 B6R1.7 NCC1(O)CC1 AM804312 [0,1,0,1,0,0|0,0,0]=2