0 B6R0.1 C#CC(=O)OCC AM20100525 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.1 C=CC(=O)NCC AMY36703 [0,0,0,0,0,0|2,0,1]=3 2 B6R0.1 C=CC(=O)OCC AMY40211 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.1 CC#CC(=O)OC AMY1234 [0,0,0,0,0,0|0,1,2]=3 4 B6R0.1 CCC(=O)CC#N AMY10591 [0,0,0,0,0,0|2,0,1]=3 5 B6R0.1 CCNC(=O)CCl AM802871 [0,0,0,0,0,0|3,0,0]=3 6 B6R0.1 CCNC(=O)NC AM85700 [0,0,0,0,0,0|2,0,0]=2 7 B6R0.1 CCOC(=N)CCl AMY15738 [0,0,0,0,0,0|4,0,0]=4 8 B6R0.1 CCOC(=O)CBr AM20070701 [0,0,0,0,0,0|3,0,0]=3 9 B6R0.1 CCOC(=O)CC AMY21941 [0,0,0,0,0,0|2,0,0]=2 10 B6R0.1 CCOC(=O)CN AM81786 [0,0,0,0,0,0|3,0,0]=3 11 B6R0.1 CCOC(=O)NC AMY3767 [0,0,0,0,0,0|2,0,0]=2 12 B6R0.1 CCOC(=O)NN AMY23328 [0,0,0,0,0,0|3,0,0]=3 13 B6R0.1 CC\C=C(/C)C=O AMY2564 [0,0,0,0,0,0|3,0,1]=4 14 B6R0.1 CNC(=O)CC#N AM20100565 [0,0,0,0,0,0|2,0,1]=3 15 B6R0.1 CNCC(=O)OC AM82645 [0,0,0,0,0,0|1,1,0]=2 16 B6R0.1 COC(=O)CCBr AMY21872 [0,0,0,0,0,0|1,1,0]=2 17 B6R0.1 COC(=O)CCN AM20090461 [0,0,0,0,0,0|1,1,0]=2 18 B6R0.1 COC(=O)CCO AM85845 [0,0,0,0,0,0|1,1,0]=2 19 B6R0.1 COC(=O)CSC AMY10908 [0,0,0,0,0,0|1,1,0]=2 20 B6R0.1 COC(=O)OCCl AMY37648 [0,0,0,0,0,0|2,1,0]=3 21 B6R0.1 COC(=O)\C=C\I AMY21721 [0,0,0,0,0,0|1,1,2]=4 22 B6R0.1 COCC(=O)NN AMY3068 [0,0,0,0,0,0|3,0,0]=3 23 B6R0.1 COCC(=O)OC AMY4063 [0,0,0,0,0,0|1,1,0]=2 24 B6R0.1 C\C=C\C(=O)OC AMY15442 [0,0,0,0,0,0|0,1,2]=3 25 B6R0.1 N#CCC(=O)NN AMY5330 [0,0,0,0,0,0|3,0,1]=4 26 B6R0.1 O=C(CCl)CCCl AM9592 [0,0,0,0,0,0|3,0,0]=3 27 B5R0.1 C#CCC(=O)O AMY19285 [1,0,0,0,0,0|0,1,2]=4 28 B5R0.1 C=C(C)CCBr AMY7022 [1,0,0,0,0,0|2,0,0]=3 29 B5R0.1 C=CCC(C)=O AMY31929 [1,0,0,0,0,0|0,0,2]=3 30 B5R0.1 CC#CC(=O)Cl AMY41204 [1,0,0,0,0,0|1,0,2]=4 31 B5R0.1 CC#CC(=O)O AM90222 [1,0,0,0,0,0|0,1,2]=4 32 B5R0.1 CC(=O)CC#N AM86800 [1,0,0,0,0,0|1,0,1]=3 33 B5R0.1 CC(=O)CC#N AMY7035 [1,0,0,0,0,0|1,0,1]=3 34 B5R0.1 CC(=O)CCO AMY31061 [1,0,0,0,0,0|1,0,0]=2 35 B5R0.1 CC(=O)OCCl AMY28690 [1,0,0,0,0,0|2,0,0]=3 36 B5R0.1 CC(=O)\C=N\O AM806560 [1,0,0,0,0,0|2,0,1]=4 37 B5R0.1 CC(C)=CCBr AMY21882 [1,0,0,0,0,0|2,0,1]=4 38 B5R0.1 CCCB(O)O AMY987 [1,0,0,0,0,0|1,1,1]=4 39 B5R0.1 CCCC(=N)N AM802888 [1,0,0,0,0,0|2,0,0]=3 40 B5R0.1 CCCC(=N)N AMY2389 [1,0,0,0,0,0|2,0,0]=3 41 B5R0.1 CCCC(C)=O AMY25524 [1,0,0,0,0,0|0,0,0]=1 42 B5R0.1 CCC[C@H](C)N AMY12548 [1,0,0,0,0,0|1,0,1]=3 43 B5R0.1 CCNC(=N)N AMY1900 [1,0,0,0,0,0|3,0,0]=4 44 B5R0.1 CCNC(C)C AMY13342 [1,0,0,0,0,0|2,0,1]=4 45 B5R0.1 CCNC(N)=S AMY18739 [1,0,0,0,0,0|2,0,1]=4 46 B5R0.1 CCOC(=S)[S-] AM20080300 [1,0,0,0,0,0|1,1,1]=4 47 B5R0.1 CCOC(C)=N AM90190 [1,0,0,0,0,0|2,0,0]=3 48 B5R0.1 CCOC(N)=O AM20100253 [1,0,0,0,0,0|2,0,0]=3 49 B5R0.1 CCO[PH](=O)[O-] AMY22458 [1,0,0,0,0,0|2,1,0]=4 50 B5R0.1 CCSC(C)=S AM90236 [1,0,0,0,0,0|1,1,0]=3 51 B5R0.1 CN(C)CCBr AM84884 [1,0,0,0,0,0|3,0,0]=4 52 B5R0.1 CN(C)CCCl AM20080022 [1,0,0,0,0,0|3,0,0]=4 53 B5R0.1 CN(C)CCCl AM20100171 [1,0,0,0,0,0|3,0,0]=4 54 B5R0.1 CN(C)CCN AM20080032 [1,0,0,0,0,0|3,0,0]=4 55 B5R0.1 CNCC(=O)O AM20080021 [1,0,0,0,0,0|1,1,0]=3 56 B5R0.1 CNCC(C)=O AM806508 [1,0,0,0,0,0|1,0,0]=2 57 B5R0.1 CNCC(N)=O AM82642 [1,0,0,0,0,0|2,0,0]=3 58 B5R0.1 COCC(=N)N AM20120573 [1,0,0,0,0,0|3,0,0]=4 59 B5R0.1 COCC(=O)Cl AMY40728 [1,0,0,0,0,0|2,0,0]=3 60 B5R0.1 COCC(=O)O AMY4059 [1,0,0,0,0,0|1,1,0]=3 61 B5R0.1 COC[C@@H](C)N AMY19545 [1,0,0,0,0,0|2,0,1]=4 62 B5R0.1 COC[C@H](C)O AM20100219 [1,0,0,0,0,0|1,0,2]=4 63 B5R0.1 CSCC(N)=O AMY10906 [1,0,0,0,0,0|2,0,0]=3 64 B5R0.1 C[C@@H](O)CCO AMY25740 [1,0,0,0,0,0|1,0,2]=4 65 B5R0.1 C[C@H](N)CCO AM84886 [1,0,0,0,0,0|2,0,1]=4 66 B5R0.1 C[C@H](N)CCO AM9719 [1,0,0,0,0,0|2,0,1]=4 67 B5R0.1 C[C@H](N)CCO AMY409 [1,0,0,0,0,0|2,0,1]=4 68 B5R0.1 C\C(Br)=C/CO AMY11209 [1,0,0,0,0,0|2,0,1]=4 69 B5R0.1 C\C=C\C(=O)O AMY11255 [1,0,0,0,0,0|0,1,2]=4 70 B5R0.1 C\C=C\C(C)=O AMY31928 [1,0,0,0,0,0|0,0,2]=3 71 B5R0.1 N#CCC(N)=O AM20080019 [1,0,0,0,0,0|2,0,1]=4 72 B5R0.1 NCCC(=O)O AM20080020 [1,0,0,0,0,0|1,1,0]=3 73 B5R0.1 NCCC(=O)O AMY22128 [1,0,0,0,0,0|1,1,0]=3 74 B5R0.1 NCCC(N)=O AM20100576 [1,0,0,0,0,0|2,0,0]=3 75 B5R0.1 NCCC(N)=O AMY6958 [1,0,0,0,0,0|2,0,0]=3 76 B5R0.1 NNCC(=O)O AMY202100023 [1,0,0,0,0,0|2,1,0]=4 77 B5R0.1 NOCC(=O)O AMY19484 [1,0,0,0,0,0|2,1,0]=4 78 B5R0.1 O=C(Cl)CCBr AM90184 [1,0,0,0,0,0|2,0,0]=3 79 B5R0.1 O=C(O)CCBr AM20100434 [1,0,0,0,0,0|1,1,0]=3 80 B5R0.1 O=C(O)CCF AM803932 [1,0,0,0,0,0|1,1,0]=3 81 B5R0.1 O=C(O)CCO AM85796 [1,0,0,0,0,0|1,1,0]=3 82 B5R0.1 O=C(O)CCS AMY27767 [1,0,0,0,0,0|1,1,0]=3 83 B5R0.2 C#CCCCC AMY1242 [1,0,0,0,0,0|1,0,2]=4 84 B5R0.2 CCCCCBr AMY9378 [1,0,0,0,0,0|2,0,1]=4 85 B5R0.2 CCCCCC AMY22305 [1,0,0,0,0,0|1,0,1]=3 86 B5R0.2 CCCCCN AMY21878 [1,0,0,0,0,0|2,0,1]=4 87 B5R0.2 CCCCCS AMY19243 [1,0,0,0,0,0|2,0,1]=4 88 B5R0.2 CCCCNN AMY202003284 [1,0,0,0,0,0|2,0,1]=4 89 B5R0.2 CCCNCC AMY13343 [1,0,0,0,0,0|2,0,0]=3 90 B5R0.2 CCO\C=C/Br AM806384 [1,0,0,0,0,0|3,0,0]=4 91 B5R0.2 CNCCCN AM20100546 [1,0,0,0,0,0|2,0,1]=4 92 B5R0.2 CNCCNC AM86300 [1,0,0,0,0,0|2,0,1]=4 93 B5R0.2 COCCCBr AM20090592 [1,0,0,0,0,0|1,1,1]=4 94 B5R0.2 COCCCCl AMY25654 [1,0,0,0,0,0|1,1,1]=4 95 B5R0.2 COCCCN AMY21871 [1,0,0,0,0,0|1,1,1]=4 96 B5R0.2 COCCCN AMY38449 [1,0,0,0,0,0|1,1,1]=4 97 B5R0.2 COCCCO AM20080231 [1,0,0,0,0,0|1,1,1]=4 98 B5R0.2 COCCOC AMY25530 [1,0,0,0,0,0|1,1,1]=4 99 B5R0.2 CSCCCCl AMY744 [1,0,0,0,0,0|1,0,1]=3 100 B5R0.2 CSSSSC AM806645 [1,0,0,0,0,0|3,0,0]=4 101 B5R0.3 C#CC(=O)OC AMY7053 [1,0,0,0,0,0|0,1,2]=4 102 B5R0.3 C=CC(=O)CBr AMY31126 [1,0,0,0,0,0|2,0,1]=4 103 B5R0.3 CCC(=O)CC AMY11060 [1,0,0,0,0,0|1,0,0]=2 104 B5R0.3 CCC(=O)OC AMY21940 [1,0,0,0,0,0|0,1,0]=2 105 B5R0.3 CCC(N)CC AMY4054 [1,0,0,0,0,0|2,0,1]=4 106 B5R0.3 CCN(C)CC AMY13336 [1,0,0,0,0,0|3,0,0]=4 107 B5R0.3 CCN(O)CC AMY25658 [1,0,0,0,0,0|2,0,1]=4 108 B5R0.3 CC\C(C)=N\O AM90385 [1,0,0,0,0,0|3,0,0]=4 109 B5R0.3 CNC(=O)NN AMY42564 [1,0,0,0,0,0|3,0,0]=4 110 B5R0.3 COC(=O)C=O AMY1633 [1,0,0,0,0,0|1,1,1]=4 111 B5R0.3 COC(=O)CF AM20100155 [1,0,0,0,0,0|1,1,0]=3 112 B5R0.3 COC(=O)CN AM81785 [1,0,0,0,0,0|1,1,0]=3 113 B5R0.3 COC(=O)OC AMY37165 [1,0,0,0,0,0|1,1,0]=3 114 B5R0.3 COS(=O)OC AMY18046 [1,0,0,0,0,0|2,1,0]=4 115 B5R0.3 NNC(=O)CCl AMY39922 [1,0,0,0,0,0|3,0,0]=4 116 B5R0.3 NNC(=O)CO AM803763 [1,0,0,0,0,0|3,0,0]=4 117 B5R0.3 O=C(CBr)CBr AM85919 [1,0,0,0,0,0|3,0,0]=4 118 B5R0.3 O=C(CO)CBr AMY19754 [1,0,0,0,0,0|3,0,0]=4 119 B7R0.2 C#CC(=O)OC(C)C AMY7054 [0,1,0,0,0,0|2,0,1]=4 120 B7R0.2 C=CC(=O)NC(C)C AM84785 [0,1,0,0,0,0|2,0,1]=4 121 B7R0.2 CC(C)OC(=O)CN AM81795 [0,1,0,0,0,0|3,0,0]=4 122 B7R0.2 CC(C)OC(=O)CO AM20100526 [0,1,0,0,0,0|3,0,0]=4 123 B7R0.2 CCC(=O)CC(=O)O AM85448 [0,1,0,0,0,0|2,0,1]=4 124 B7R0.2 CCC(=O)CC(=O)[O-] AM88443 [0,1,0,0,0,0|2,0,1]=4 125 B7R0.2 CCC(=O)CC(C)=O AMY2701 [0,1,0,0,0,0|1,0,1]=3 126 B7R0.2 CCC(C)CC(C)N AMY12579 [0,1,0,0,0,0|2,0,1]=4 127 B7R0.2 CN(C)CC(=O)NN AM20120575 [0,1,0,0,0,0|3,0,0]=4 128 B7R0.2 COC(=O)CC(=O)Cl AM90205 [0,1,0,0,0,0|1,1,1]=4 129 B7R0.2 COC(=O)CC(=O)[O-] AMY3708 [0,1,0,0,0,0|1,1,1]=4 130 B7R0.2 COC(=O)CC(=O)[O-] AMY3965 [0,1,0,0,0,0|1,1,1]=4 131 B7R0.2 COC(=O)C[C@H](C)O AM20090811 [0,1,0,0,0,0|0,1,0]=2 132 B7R0.2 COC(=O)C[C@H](C)O AM20100049 [0,1,0,0,0,0|0,1,0]=2 133 B7R0.2 COC(=O)C[C@H](C)O AMY3321 [0,1,0,0,0,0|0,1,0]=2 134 B7R0.2 COC(=O)C[N+](=O)[O-] AM86803 [0,1,0,0,0,0|2,1,0]=4 135 B7R0.2 COC(=O)\C=C(\C)F AMY36917 [0,1,0,0,0,0|0,1,2]=4 136 B7R0.2 COC(=O)\C=C(\C)N AM20080319 [0,1,0,0,0,0|0,1,2]=4 137 B7R0.3 C=CC(=O)NCCC AMY39214 [0,1,0,0,0,0|1,0,1]=3 138 B7R0.3 C=CC(=O)NCCN AMY1138 [0,1,0,0,0,0|2,0,1]=4 139 B7R0.3 CCCCC(=O)NN AMY3964 [0,1,0,0,0,0|2,0,0]=3 140 B7R0.3 CCCOC(=O)CC AMY21939 [0,1,0,0,0,0|1,0,0]=2 141 B7R0.3 CNCCC(=O)OC AMY4326 [0,1,0,0,0,0|0,1,0]=2 142 B7R0.3 COC(=O)CCC=O AM20080287 [0,1,0,0,0,0|0,1,1]=3 143 B7R0.3 COC(=O)CCCN AM803145 [0,1,0,0,0,0|0,1,0]=2 144 B7R0.3 COC(=O)CCCS AMY40461 [0,1,0,0,0,0|0,1,0]=2 145 B7R0.3 COC(=O)\C=C\CBr AMY14793 [0,1,0,0,0,0|0,1,2]=4 146 B7R0.3 CO\C=C\C(=O)OC AMY18381 [0,1,0,0,0,0|0,1,2]=4 147 B7R0.3 [C-]#[N+]CCC(=O)OC AMY21714 [0,1,0,0,0,0|0,1,1]=3 148 B7R0.5 C=C(Br)C(=O)OCC AM85811 [0,1,0,0,0,0|2,0,1]=4 149 B7R0.5 CC(C)C(=O)CC#N AM20090390 [0,1,0,0,0,0|2,0,1]=4 150 B7R0.5 CC(C)C(=O)OCCl AMY4056 [0,1,0,0,0,0|3,0,0]=4 151 B7R0.5 CCCC(=O)C(=O)O AMY6081 [0,1,0,0,0,0|2,0,0]=3 152 B7R0.5 CCOC(=O)C(C)=O AMY40824 [0,1,0,0,0,0|2,0,0]=3 153 B7R0.5 CCOC(=O)C(F)F AM20100159 [0,1,0,0,0,0|3,0,0]=4 154 B7R0.5 CCOC(=O)C(N)=O AM20100509 [0,1,0,0,0,0|3,0,0]=4 155 B7R0.5 CCOC(=O)N(C)C AMY39284 [0,1,0,0,0,0|2,0,0]=3 156 B7R0.5 CCOC(=O)[C@@H](F)Br AM61520 [0,1,0,0,0,0|3,0,0]=4 157 B7R0.5 CCOC(=O)[C@@H](F)Cl AMY3056 [0,1,0,0,0,0|3,0,0]=4 158 B7R0.5 CCOC(=O)[C@H](C)Br AM20100315 [0,1,0,0,0,0|2,0,0]=3 159 B7R0.5 CCOC(=O)[C@H](C)Cl AMY4005 [0,1,0,0,0,0|2,0,0]=3 160 B7R0.5 CCOC(=O)[C@H](C)N AM20100508 [0,1,0,0,0,0|2,0,0]=3 161 B7R0.5 CCOC(=O)[C@H](C)N AM81486 [0,1,0,0,0,0|2,0,0]=3 162 B7R0.5 CCOC(=O)[C@H](C)N AM81487 [0,1,0,0,0,0|2,0,0]=3 163 B7R0.5 CN(C)C(=O)CC#N AMY38498 [0,1,0,0,0,0|2,0,1]=4 164 B7R0.7 C=C(OCC)OCC AM9861 [0,1,0,0,0,0|2,1,0]=4 165 B7R0.7 C=CCC(=O)OCC AMY30553 [0,1,0,0,0,0|0,1,2]=4 166 B7R0.7 CC#CC(=O)OCC AM86969 [0,1,0,0,0,0|2,0,0]=3 167 B7R0.7 CCCC(=O)CCC AMY3807 [0,1,0,0,0,0|1,0,0]=2 168 B7R0.7 CCCC(N)CCC AMY3864 [0,1,0,0,0,0|2,0,1]=4 169 B7R0.7 CCCC(O)CCC AMY23531 [0,1,0,0,0,0|1,0,2]=4 170 B7R0.7 CCC[C@H](N)CCO AM20100578 [0,1,0,0,0,0|2,0,1]=4 171 B7R0.7 CCNC(=O)NCC AMY25735 [0,1,0,0,0,0|2,0,0]=3 172 B7R0.7 CCOC(=O)CC=O AMY18659 [0,1,0,0,0,0|1,1,1]=4 173 B7R0.7 CCOC(=O)CCN AM803889 [0,1,0,0,0,0|1,1,0]=3 174 B7R0.7 CCOC(=O)CCO AMY20483 [0,1,0,0,0,0|1,1,0]=3 175 B7R0.7 CCOC(=O)CNC AM82644 [0,1,0,0,0,0|1,1,0]=3 176 B7R0.7 CCOC(=O)CNC AMY3815 [0,1,0,0,0,0|1,1,0]=3 177 B7R0.7 CCOC(=O)CNN AM20100649 [0,1,0,0,0,0|2,1,0]=4 178 B7R0.7 CCOC(=O)COC AMY3969 [0,1,0,0,0,0|1,1,0]=3 179 B7R0.7 CCOC(=O)CSC AMY33462 [0,1,0,0,0,0|1,0,0]=2 180 B7R0.7 CCOC(=O)N=C=O AMY771 [0,1,0,0,0,0|2,0,1]=4 181 B7R0.7 CCOC(=O)N=C=S AMY10862 [0,1,0,0,0,0|2,0,1]=4 182 B7R0.7 CCOC(=O)OCC AMY11101 [0,1,0,0,0,0|1,1,0]=3 183 B7R0.7 CCOC(=O)OCCl AMY14438 [0,1,0,0,0,0|1,1,0]=3 184 B7R0.7 CCOC(=O)\C=C/N AM87196 [0,1,0,0,0,0|2,0,1]=4 185 B7R0.7 CCOC(=O)\C=C\I AM805822 [0,1,0,0,0,0|2,0,1]=4 186 B7R0.7 CCOC(=O)\C=C\[O-] AMY34242 [0,1,0,0,0,0|2,0,1]=4 187 B7R0.7 CCOS(=O)OCC AMY17996 [0,1,0,0,0,0|2,1,0]=4 188 B7R0.7 O=C(CCCl)CCCl AMY9352 [0,1,0,0,0,0|2,0,0]=3 189 B7R0.7 [C-]#[N+]CC(=O)OCC AMY403 [0,1,0,0,0,0|1,1,1]=4 190 B7R0.10 C=C(CBr)C(=O)OC AM20120603 [0,1,0,0,0,0|1,1,1]=4 191 B7R0.10 C=C(CCl)C(=O)OC AM20120602 [0,1,0,0,0,0|1,1,1]=4 192 B7R0.10 C=C(CO)C(=O)OC AM20120617 [0,1,0,0,0,0|1,1,1]=4 193 B7R0.10 CCC(=O)N(C)OC AM90011 [0,1,0,0,0,0|3,0,0]=4 194 B7R0.10 CCN(C)C(=O)CBr AM803019 [0,1,0,0,0,0|3,0,0]=4 195 B7R0.10 CC[C@@H](O)C(=O)OC AMY31871 [0,1,0,0,0,0|0,1,0]=2 196 B7R0.10 CC[C@H](Br)C(=O)OC AM20090460 [0,1,0,0,0,0|0,1,0]=2 197 B7R0.10 CC[C@H](O)C(=O)OC AMY31876 [0,1,0,0,0,0|0,1,0]=2 198 B7R0.10 CNC(=O)[C@@H](N)CO AM86003 [0,1,0,0,0,0|2,0,0]=3 199 B7R0.10 CN[C@@H](C)C(=O)OC AM9231 [0,1,0,0,0,0|1,1,0]=3 200 B7R0.10 CN[C@@H](C)C(=O)OC AM9301 [0,1,0,0,0,0|1,1,0]=3 201 B7R0.10 COC(=O)C(=O)CBr AMY30900 [0,1,0,0,0,0|1,1,1]=4 202 B7R0.10 COC(=O)C(=O)OC AMY37133 [0,1,0,0,0,0|1,1,1]=4 203 B7R0.10 COC(=O)[C@@H](C)CBr AMY14329 [0,1,0,0,0,0|1,1,0]=3 204 B7R0.10 COC(=O)[C@@H](C)CO AMY14286 [0,1,0,0,0,0|1,1,0]=3 205 B7R0.10 COC(=O)[C@@H](F)CO AMY36965 [0,1,0,0,0,0|1,1,0]=3 206 B7R0.10 COC(=O)[C@@H](N)CO AM20100384 [0,1,0,0,0,0|1,1,0]=3 207 B7R0.10 COC(=O)[C@@H](N)CO AM20100431 [0,1,0,0,0,0|1,1,0]=3 208 B7R0.10 COC(=O)[C@@H](N)CO AM82213 [0,1,0,0,0,0|1,1,0]=3 209 B7R0.10 COC(=O)[C@@H](N)CS AM20090085 [0,1,0,0,0,0|1,1,0]=3 210 B7R0.10 COC(=O)[C@@H](N)CS AM20100664 [0,1,0,0,0,0|1,1,0]=3 211 B7R0.10 COC(=O)[C@@H](O)CO AMY30877 [0,1,0,0,0,0|1,1,0]=3 212 B7R0.10 COC(=O)[C@@H](O)CO AMY30888 [0,1,0,0,0,0|1,1,0]=3 213 B7R0.10 COC(=O)[C@H](C)C#N AMY3838 [0,1,0,0,0,0|1,1,1]=4 214 B7R0.10 COC(=O)[C@H](C)CBr AMY14235 [0,1,0,0,0,0|1,1,0]=3 215 B7R0.10 COC(=O)[C@H](C)CO AMY14231 [0,1,0,0,0,0|1,1,0]=3 216 B7R0.10 COC(=O)[C@H](C)OC AMY37763 [0,1,0,0,0,0|1,1,0]=3 217 B7R0.10 NNC(=O)[C@@H](N)CO AMY25339 [0,1,0,0,0,0|3,0,0]=4 218 B7R0.11 CCCS(=O)(=O)OC AMY7723 [0,1,0,0,0,0|1,1,0]=3 219 B7R0.12 CCCN(CC)CC AMY13337 [0,1,0,0,0,0|3,0,0]=4 220 B7R1.1 CCC1=NCCO1 AM84318 [0,0,0,1,0,0|2,0,1]=4 221 B7R1.1 CC[C@@H]1CCCN1 AMY37667 [0,0,0,1,0,0|2,0,1]=4 222 B7R1.1 CC[C@H]1CCCN1 AMY37675 [0,0,0,1,0,0|2,0,1]=4 223 B7R1.1 CNC1CCCC1 AMY10584 [0,0,0,1,0,0|2,0,1]=4 224 B7R1.1 COC1=NCCN1 AMY792 [0,0,0,1,0,0|2,1,0]=4 225 B7R1.1 CSC1=NCCS1 AM832 [0,0,0,1,0,0|1,1,0]=3 226 B7R1.1 CSC1=NCCS1 AMY22060 [0,0,0,1,0,0|1,1,0]=3 227 B7R1.1 O=CC1=CCCC1 AMY30885 [0,0,0,1,0,0|3,0,0]=4 228 B7R1.1 ON=C1CCCC1 AM20080131 [0,0,0,1,0,0|3,0,0]=4 229 B7R1.2 CC1=NSC(=O)O1 AMY14827 [0,0,0,1,0,0|2,0,1]=4 230 B7R1.2 CN1CCC(=O)C1 AM20100632 [0,0,0,1,0,0|2,0,0]=3 231 B7R1.2 CN1CCC(=O)C1 AMY25051 [0,0,0,1,0,0|2,0,0]=3 232 B7R1.2 C[C@@H]1CCC(=O)N1 AMY37338 [0,0,0,1,0,0|2,0,0]=3 233 B7R1.2 C[C@@H]1CNC(=O)C1 AMY34987 [0,0,0,1,0,0|1,0,0]=2 234 B7R1.2 C[C@H]1CCC(=O)C1 AMY3874 [0,0,0,1,0,0|1,0,0]=2 235 B7R1.2 C[C@H]1CCC(=O)N1 AMY23794 [0,0,0,1,0,0|2,0,0]=3 236 B7R1.2 C[C@H]1CNC(=O)C1 AMY35747 [0,0,0,1,0,0|1,0,0]=2 237 B7R1.2 C[C@H]1CNC(=O)O1 AMY3772 [0,0,0,1,0,0|2,0,0]=3 238 B7R1.2 N[C@@H]1CNC(=O)C1 AMY34929 [0,0,0,1,0,0|2,0,0]=3 239 B7R1.2 N[C@@H]1COC(=O)C1 AMY22231 [0,0,0,1,0,0|1,1,0]=3 240 B7R1.2 N[C@H]1COC(=O)C1 AMY18836 [0,0,0,1,0,0|1,1,0]=3 241 B7R1.2 O=C1C=C[C@@H](O)C1 AMY1807 [0,0,0,1,0,0|2,0,1]=4 242 B7R1.2 O=C1CCC(=O)C1 AM20100026 [0,0,0,1,0,0|2,0,1]=4 243 B7R1.2 O=C1CC[C@H](O)C1 AMY33737 [0,0,0,1,0,0|2,0,0]=3 244 B7R1.2 O=C1CNC(=O)C1 AM20120511 [0,0,0,1,0,0|2,0,1]=4 245 B7R1.2 O=C1CSC(=O)N1 AM20090236 [0,0,0,1,0,0|2,0,1]=4 246 B7R1.2 O=C1C[C@H](O)CN1 AM20090229 [0,0,0,1,0,0|2,0,0]=3 247 B7R1.2 O=C1C[C@H](O)CN1 AM20100631 [0,0,0,1,0,0|2,0,0]=3 248 B7R1.2 O=C1C[C@H](O)CN1 AMY22949 [0,0,0,1,0,0|2,0,0]=3 249 B7R1.2 O=C1C[C@H](O)CO1 AMY4221 [0,0,0,1,0,0|1,1,0]=3 250 B7R1.2 O=C1OC[C@H](Cl)O1 AMY19473 [0,0,0,1,0,0|2,1,0]=4 251 B7R1.3 BrC1=CCCCC1 AMY38285 [0,0,0,1,0,0|2,0,0]=3 252 B7R1.3 C=C1CCCCC1 AMY736 [0,0,0,1,0,0|2,0,0]=3 253 B7R1.3 C=C1CCCOC1 AMY6008 [0,0,0,1,0,0|3,0,0]=4 254 B7R1.3 C=C1CCNCC1 AMY5962 [0,0,0,1,0,0|3,0,0]=4 255 B7R1.3 C=C1CCNCC1 AMY6101 [0,0,0,1,0,0|3,0,0]=4 256 B7R1.3 C=C1CCNCC1 AMY6167 [0,0,0,1,0,0|3,0,0]=4 257 B7R1.3 C=C1CCOCC1 AMY34984 [0,0,0,1,0,0|3,0,0]=4 258 B7R1.3 CC1=CCNCC1 AMY33784 [0,0,0,1,0,0|3,0,0]=4 259 B7R1.3 CC1=CCOCC1 AMY5953 [0,0,0,1,0,0|3,0,0]=4 260 B7R1.3 CC1=COCCC1 AMY6007 [0,0,0,1,0,0|3,0,0]=4 261 B7R1.3 CC1SCCCS1 AMY24701 [0,0,0,1,0,0|2,0,1]=4 262 B7R1.3 CN1CCCCC1 AM20100531 [0,0,0,1,0,0|3,0,0]=4 263 B7R1.3 C[C@H]1CCCCN1 AM20080042 [0,0,0,1,0,0|2,0,1]=4 264 B7R1.3 C[C@H]1CCCCN1 AM81342 [0,0,0,1,0,0|2,0,1]=4 265 B7R1.3 ClC1=CCCCC1 AM85974 [0,0,0,1,0,0|2,0,0]=3 266 B7R1.3 ClC1CCCCC1 AM90219 [0,0,0,1,0,0|2,0,1]=4 267 B7R1.3 NC1=NCCCN1 AMY15652 [0,0,0,1,0,0|3,0,0]=4 268 B7R1.3 NC1CCCCC1 AM802905 [0,0,0,1,0,0|2,0,1]=4 269 B7R1.3 NN1CCCCC1 AM85332 [0,0,0,1,0,0|3,0,0]=4 270 B7R1.3 NN1CCCCC1 AM85348 [0,0,0,1,0,0|3,0,0]=4 271 B7R1.3 O=C1C=CCCN1 AMY9701 [0,0,0,1,0,0|1,0,2]=4 272 B7R1.3 O=C1C=CCOC1 AMY23659 [0,0,0,1,0,0|2,0,1]=4 273 B7R1.3 O=C1CCCCN1 AM20100626 [0,0,0,1,0,0|1,0,0]=2 274 B7R1.3 O=C1CCCNC1 AM20100504 [0,0,0,1,0,0|2,0,0]=3 275 B7R1.3 O=C1CCCNC1 AM81341 [0,0,0,1,0,0|2,0,0]=3 276 B7R1.3 O=C1CCCOC1 AM20090251 [0,0,0,1,0,0|2,0,0]=3 277 B7R1.3 O=C1CCCSC1 AM20090115 [0,0,0,1,0,0|2,0,0]=3 278 B7R1.3 O=C1CCNCC1 AM100807 [0,0,0,1,0,0|2,0,0]=3 279 B7R1.3 O=C1CCNCC1 AM20100060 [0,0,0,1,0,0|2,0,0]=3 280 B7R1.3 O=C1CCNCC1 AM803879 [0,0,0,1,0,0|2,0,0]=3 281 B7R1.3 O=C1CCOCC1 AM20090400 [0,0,0,1,0,0|2,0,0]=3 282 B7R1.3 O=C1CCSCC1 AM20080026 [0,0,0,1,0,0|2,0,0]=3 283 B7R1.3 O=C1CNCCN1 AM20100386 [0,0,0,1,0,0|2,0,0]=3 284 B7R1.3 O=C1CNCCO1 AM62713 [0,0,0,1,0,0|1,1,0]=3 285 B7R1.3 O=C1COCCN1 AM20080044 [0,0,0,1,0,0|2,0,0]=3 286 B7R1.3 O=C1CSCCN1 AMY10805 [0,0,0,1,0,0|2,0,0]=3 287 B7R1.3 O=C1NCCCN1 AM90187 [0,0,0,1,0,0|2,0,0]=3 288 B7R1.3 O=C1NCCCO1 AMY19041 [0,0,0,1,0,0|1,1,0]=3 289 B7R1.3 O=S1CCOCC1 AMY42358 [0,0,0,1,0,0|3,0,0]=4 290 B7R1.3 S=C1COCCN1 AMY10049 [0,0,0,1,0,0|2,1,0]=4 291 B7R1.3 SC1=NCCCN1 AMY7063 [0,0,0,1,0,0|2,1,0]=4 292 B7R1.3 SC1CCCCC1 AMY11243 [0,0,0,1,0,0|1,1,1]=4 293 B7R1.4 C=C1CCOC1=O AMY7315 [0,0,0,1,0,0|2,0,1]=4 294 B7R1.4 CN1CCCC1=O AM20110252 [0,0,0,1,0,0|1,0,0]=2 295 B7R1.4 CN1CCSC1=S AM84657 [0,0,0,1,0,0|2,1,0]=4 296 B7R1.4 CN1N=CCC1=O AMY11892 [0,0,0,1,0,0|2,0,1]=4 297 B7R1.4 C[C@@H]1SCCC1=O AMY23233 [0,0,0,1,0,0|2,0,0]=3 298 B7R1.4 C[C@H]1CCCC1=O AM84338 [0,0,0,1,0,0|1,0,0]=2 299 B7R1.4 C[C@H]1CCOC1=O AM20090007 [0,0,0,1,0,0|2,0,0]=3 300 B7R1.4 NN1CCCC1=O AM84704 [0,0,0,1,0,0|2,0,0]=3 301 B7R1.4 N[C@@H]1CCOC1=O AMY22572 [0,0,0,1,0,0|3,0,0]=4 302 B7R1.4 N[C@H]1CCNC1=O AM20130022 [0,0,0,1,0,0|3,0,0]=4 303 B7R1.4 N[C@H]1CCNC1=O AMY15667 [0,0,0,1,0,0|3,0,0]=4 304 B7R1.4 N[C@H]1CCOC1=O AM20090203 [0,0,0,1,0,0|3,0,0]=4 305 B7R1.4 N[C@H]1CCOC1=O AMY21622 [0,0,0,1,0,0|3,0,0]=4 306 B7R1.4 N[C@H]1CCSC1=O AMY25724 [0,0,0,1,0,0|3,0,0]=4 307 B7R1.4 O=C1CCCC1=O AMY23435 [0,0,0,1,0,0|2,0,0]=3 308 B7R1.4 O=C1CCC[C@@H]1Br AM20090204 [0,0,0,1,0,0|2,0,0]=3 309 B7R1.4 O=C1NCC[C@@H]1O AM20080386 [0,0,0,1,0,0|3,0,0]=4 310 B7R1.4 O=C1NCC[C@@H]1O AM20090532 [0,0,0,1,0,0|3,0,0]=4 311 B7R1.4 O=C1NCC[C@H]1O AMY14450 [0,0,0,1,0,0|3,0,0]=4 312 B7R1.4 O=C1OCC[C@@H]1Br AM20100243 [0,0,0,1,0,0|3,0,0]=4 313 B7R1.22 CCC(=O)C1CC1 AMY12334 [0,0,0,1,0,0|1,0,0]=2 314 B7R1.22 COC(=O)C1CC1 AM20090368 [0,0,0,1,0,0|0,1,0]=2 315 B7R1.22 COC(=O)[C@@H]1CN1 AMY32035 [0,0,0,1,0,0|1,1,0]=3 316 B7R1.22 COC(=O)[C@@H]1CO1 AMY42223 [0,0,0,1,0,0|1,1,0]=3 317 B7R1.22 COC(=O)[C@H]1CO1 AMY31968 [0,0,0,1,0,0|1,1,0]=3 318 B7R1.22 C\C(=N\O)C1CC1 AM87026 [0,0,0,1,0,0|3,0,0]=4 319 B7R1.22 NC(=NO)C1CC1 AM85797 [0,0,0,1,0,0|3,0,0]=4 320 B7R1.22 NNC(=O)C1CC1 AM20100651 [0,0,0,1,0,0|2,0,0]=3 321 B7R1.22 O=C(CBr)C1CC1 AM87146 [0,0,0,1,0,0|2,0,0]=3 322 B7R1.22 O=CC(=O)C1CC1 AM87069 [0,0,0,1,0,0|2,0,0]=3 323 B4R0.1 C=C(C)CBr AM85592 [2,0,0,0,0,0|2,0,0]=4 324 B4R0.1 C=C(C)CN AMY13356 [2,0,0,0,0,0|2,0,0]=4 325 B4R0.1 CC(=O)C#N AMY39183 [2,0,0,0,0,0|1,0,1]=4 326 B4R0.1 CC(=O)CBr AM85840 [2,0,0,0,0,0|1,0,0]=3 327 B4R0.1 CC(=O)CN AMY15017 [2,0,0,0,0,0|1,0,0]=3 328 B4R0.1 CC(=O)CN AMY25062 [2,0,0,0,0,0|1,0,0]=3 329 B4R0.1 CC(=O)NN AM20080014 [2,0,0,0,0,0|2,0,0]=4 330 B4R0.1 CC(=O)NO AM20100343 [2,0,0,0,0,0|2,0,0]=4 331 B4R0.1 CCC(=N)N AM803843 [2,0,0,0,0,0|2,0,0]=4 332 B4R0.1 CCC(=O)Cl AMY4112 [2,0,0,0,0,0|1,0,0]=3 333 B4R0.1 CCC(=O)O AMY4114 [2,0,0,0,0,0|0,1,0]=3 334 B4R0.1 CCC(=O)[O-] AMY22300 [2,0,0,0,0,0|0,1,0]=3 335 B4R0.1 CCC(=O)[O-] AMY37013 [2,0,0,0,0,0|0,1,0]=3 336 B4R0.1 CCC(C)[O-] AMY22246 [2,0,0,0,0,0|0,0,2]=4 337 B4R0.1 CCC(N)=S AMY39288 [2,0,0,0,0,0|1,0,1]=4 338 B4R0.1 CCN(C)C AMY13339 [2,0,0,0,0,0|2,0,0]=4 339 B4R0.1 CC[C@H](C)O AMY11001 [2,0,0,0,0,0|0,0,2]=4 340 B4R0.1 CC[S@](=O)[O-] AMY15674 [2,0,0,0,0,0|1,1,0]=4 341 B4R0.1 CNC(C)=O AMY4115 [2,0,0,0,0,0|1,0,0]=3 342 B4R0.1 CNC(N)=O AMY40217 [2,0,0,0,0,0|2,0,0]=4 343 B4R0.1 COC(N)=O AMY4044 [2,0,0,0,0,0|1,1,0]=4 344 B4R0.1 CSC(=N)N AMY22236 [2,0,0,0,0,0|2,0,0]=4 345 B4R0.1 CSC(=N)N AMY304 [2,0,0,0,0,0|2,0,0]=4 346 B4R0.1 NC(=O)CBr AM85872 [2,0,0,0,0,0|2,0,0]=4 347 B4R0.1 NC(=O)CCl AMY4113 [2,0,0,0,0,0|2,0,0]=4 348 B4R0.1 NCC(=O)O AM81781 [2,0,0,0,0,0|1,1,0]=4 349 B4R0.1 NCC(=O)[O-] AMY37022 [2,0,0,0,0,0|1,1,0]=4 350 B4R0.1 NCC(N)=O AM20080473 [2,0,0,0,0,0|2,0,0]=4 351 B4R0.1 NCC(N)=O AMY20517 [2,0,0,0,0,0|2,0,0]=4 352 B4R0.1 NCC(N)=O AMY22705 [2,0,0,0,0,0|2,0,0]=4 353 B4R0.1 O=C(Br)CBr AMY21867 [2,0,0,0,0,0|2,0,0]=4 354 B4R0.1 O=C(Cl)CBr AMY13645 [2,0,0,0,0,0|2,0,0]=4 355 B4R0.1 O=C(Cl)CCl AMY40193 [2,0,0,0,0,0|2,0,0]=4 356 B4R0.1 O=C([O-])CS AMY25320 [2,0,0,0,0,0|1,1,0]=4 357 B4R0.1 [Li][C@@H](C)CC AMY14890 [2,0,0,0,0,0|1,0,1]=4 358 B4R0.2 C=CCCCl AMY11185 [2,0,0,0,0,0|1,0,1]=4 359 B4R0.2 C=CCCO AMY14291 [2,0,0,0,0,0|1,0,1]=4 360 B4R0.2 C=CCNC AMY13350 [2,0,0,0,0,0|1,0,1]=4 361 B4R0.2 C=CCOC AM20100534 [2,0,0,0,0,0|1,0,1]=4 362 B4R0.2 CCCCN AMY21914 [2,0,0,0,0,0|1,0,1]=4 363 B4R0.2 CCCNN AM9771 [2,0,0,0,0,0|2,0,0]=4 364 B4R0.2 CCNCC AMY25752 [2,0,0,0,0,0|1,0,1]=4 365 B4R0.2 CCPCC AMY11725 [2,0,0,0,0,0|1,0,1]=4 366 B4R0.2 CC\C=C\Br AMY796 [2,0,0,0,0,0|1,0,1]=4 367 B4R0.2 CNCCCl AM803928 [2,0,0,0,0,0|2,0,0]=4 368 B4R0.2 CNCCF AMY202003232 [2,0,0,0,0,0|2,0,0]=4 369 B4R0.2 CNCCO AMY32697 [2,0,0,0,0,0|2,0,0]=4 370 B4R0.2 COCCCl AMY25739 [2,0,0,0,0,0|1,1,0]=4 371 B4R0.2 COCCN AM808206 [2,0,0,0,0,0|1,1,0]=4 372 B4R0.2 CSCCCl AMY15533 [2,0,0,0,0,0|1,0,0]=3 373 B4R0.2 CSCCN AMY33509 [2,0,0,0,0,0|1,0,0]=3 374 B4R0.2 CSCCO AMY19250 [2,0,0,0,0,0|1,0,0]=3 375 B4R0.2 C\C=C\CCl AMY618 [2,0,0,0,0,0|1,0,1]=4 376 B4R0.2 C\C=C\CO AMY21936 [2,0,0,0,0,0|1,0,1]=4 377 B4R0.2 SCCCBr AM806637 [2,0,0,0,0,0|1,0,1]=4 378 B4R0.2 [Li]CCCC AMY14790 [2,0,0,0,0,0|1,0,1]=4 379 B6R0.2 CC(=O)C=C(C)C AMY23356 [1,1,0,0,0,0|0,0,2]=4 380 B6R0.2 CC(=O)CC(C)C AMY11098 [1,1,0,0,0,0|0,0,0]=2 381 B6R0.2 CC(=O)NC(C)C AMY3785 [1,1,0,0,0,0|1,0,0]=3 382 B6R0.2 CC(=O)\C=C(\C)N AMY24718 [1,1,0,0,0,0|0,0,2]=4 383 B6R0.2 CC(=O)\C=C(\C)[O-] AMY11696 [1,1,0,0,0,0|0,0,2]=4 384 B6R0.2 CC(=O)\C=C(\C)[O-] AMY19683 [1,1,0,0,0,0|0,0,2]=4 385 B6R0.2 CC(=O)\C=C(\C)[O-] AMY41912 [1,1,0,0,0,0|0,0,2]=4 386 B6R0.2 CC(C)CC(=O)O AMY40214 [1,1,0,0,0,0|0,1,0]=3 387 B6R0.2 CC(C)C[C@H](C)N AMY36830 [1,1,0,0,0,0|1,0,1]=4 388 B6R0.2 CC(C)OC(=O)Cl AMY3776 [1,1,0,0,0,0|2,0,0]=4 389 B6R0.2 CC(O)CC(=O)[O-] AMY10051 [1,1,0,0,0,0|0,1,0]=3 390 B6R0.2 CC(O)CC(=O)[O-] AMY10054 [1,1,0,0,0,0|0,1,0]=3 391 B6R0.2 CN(C)CC(=O)O AM20080064 [1,1,0,0,0,0|1,1,0]=4 392 B6R0.2 CN(C)CC(=O)O AM81799 [1,1,0,0,0,0|1,1,0]=4 393 B6R0.2 CN(C)CC(=O)[O-] AMY42162 [1,1,0,0,0,0|1,1,0]=4 394 B6R0.2 CN(C)CC(=O)[O-] AMY42163 [1,1,0,0,0,0|1,1,0]=4 395 B6R0.2 C[C@@H](O)CC(=O)O AMY24176 [1,1,0,0,0,0|0,1,0]=3 396 B6R0.2 C[C@@H](O)CN(C)C AMY16641 [1,1,0,0,0,0|2,0,0]=4 397 B6R0.2 C[C@H](Cl)CN(C)C AM90213 [1,1,0,0,0,0|2,0,0]=4 398 B6R0.2 C[C@H](N)CC(=O)O AM20100008 [1,1,0,0,0,0|0,1,0]=3 399 B6R0.2 C[C@H](N)CC(=O)O AM20100009 [1,1,0,0,0,0|0,1,0]=3 400 B6R0.2 C[C@H](N)CC(=O)O AM20100428 [1,1,0,0,0,0|0,1,0]=3 401 B6R0.2 C[C@H](N)CC(=O)O AM804090 [1,1,0,0,0,0|0,1,0]=3 402 B6R0.2 C[C@H](O)CC(=O)O AMY10050 [1,1,0,0,0,0|0,1,0]=3 403 B6R0.2 C[C@H](O)CC(=O)O AMY24175 [1,1,0,0,0,0|0,1,0]=3 404 B6R0.2 C[C@H](O)CC(=O)[O-] AM86469 [1,1,0,0,0,0|0,1,0]=3 405 B6R0.2 C[C@H](O)CC(=O)[O-] AMY10052 [1,1,0,0,0,0|0,1,0]=3 406 B6R0.2 C[C@H](O)CC(=O)[O-] AMY10055 [1,1,0,0,0,0|0,1,0]=3 407 B6R0.2 C[C@H](O)CN(C)C AMY13331 [1,1,0,0,0,0|2,0,0]=4 408 B6R0.2 C[S+](C)CC(=O)[O-] AM90363 [1,1,0,0,0,0|1,1,0]=4 409 B6R0.2 O=C(O)CC(F)F AMY6157 [1,1,0,0,0,0|1,1,0]=4 410 B6R0.3 CC(=O)C(=O)CBr AMY23002 [1,1,0,0,0,0|1,0,1]=4 411 B6R0.3 CC(=O)C(=O)CCl AMY42031 [1,1,0,0,0,0|1,0,1]=4 412 B6R0.3 CC(=O)[C@@H](C)C=O AMY6397 [1,1,0,0,0,0|1,0,1]=4 413 B6R0.3 CCC(=O)C(=O)O AM90224 [1,1,0,0,0,0|0,1,1]=4 414 B6R0.3 CCC(=O)C(=O)[O-] AMY7718 [1,1,0,0,0,0|0,1,1]=4 415 B6R0.3 CCC(=O)C(C)=O AMY4046 [1,1,0,0,0,0|0,0,1]=3 416 B6R0.3 CCN(C)C(=O)Cl AM20090787 [1,1,0,0,0,0|2,0,0]=4 417 B6R0.3 CCN(O)C(C)=O AMY33549 [1,1,0,0,0,0|1,0,0]=3 418 B6R0.3 CC[C@@H](Br)C(=O)O AMY2458 [1,1,0,0,0,0|0,1,0]=3 419 B6R0.3 CC[C@@H](N)C(N)=O AMY725 [1,1,0,0,0,0|1,0,0]=3 420 B6R0.3 CC[C@H](Br)C(=O)O AM81433 [1,1,0,0,0,0|0,1,0]=3 421 B6R0.3 CC[C@H](C)C(=O)O AM802977 [1,1,0,0,0,0|0,1,0]=3 422 B6R0.3 CC[C@H](N)C(=O)O AM20080375 [1,1,0,0,0,0|0,1,0]=3 423 B6R0.3 CC[C@H](N)C(=O)O AM20090323 [1,1,0,0,0,0|0,1,0]=3 424 B6R0.3 CC[C@H](N)C(=O)O AM20090360 [1,1,0,0,0,0|0,1,0]=3 425 B6R0.3 CC[C@H](N)C(N)=O AM20100759 [1,1,0,0,0,0|1,0,0]=3 426 B6R0.3 CC[C@H](N)C(N)=O AM20120294 [1,1,0,0,0,0|1,0,0]=3 427 B6R0.3 CC[C@H](S)C(=O)O AMY2446 [1,1,0,0,0,0|0,1,0]=3 428 B6R0.3 CN[C@@H](C)C(=O)O AM81482 [1,1,0,0,0,0|1,1,0]=4 429 B6R0.3 CN[C@@H](C)C(=O)O AM82991 [1,1,0,0,0,0|1,1,0]=4 430 B6R0.3 CN[C@@H](C)C(=O)O AM9397 [1,1,0,0,0,0|1,1,0]=4 431 B6R0.3 CN[C@@H](C)C(=O)[O-] AM9064 [1,1,0,0,0,0|1,1,0]=4 432 B6R0.3 CN[C@H](C)C(=O)O AMY25382 [1,1,0,0,0,0|1,1,0]=4 433 B6R0.3 COC(=O)C(C)=O AMY40825 [1,1,0,0,0,0|1,0,1]=4 434 B6R0.3 CON(C)C(C)=O AM1188 [1,1,0,0,0,0|2,0,0]=4 435 B6R0.3 CO[C@H](C)C(=O)O AM84813 [1,1,0,0,0,0|1,1,0]=4 436 B6R0.3 C[C@@H](CN)C(=O)O AMY22008 [1,1,0,0,0,0|1,1,0]=4 437 B6R0.3 C[C@@H](CO)C(=O)O AMY18825 [1,1,0,0,0,0|1,1,0]=4 438 B6R0.3 C\C=C(/C)C(C)=O AMY4030 [1,1,0,0,0,0|0,0,2]=4 439 B6R0.3 NC(=O)C(N)CO AM806435 [1,1,0,0,0,0|2,0,0]=4 440 B6R0.3 NC(=O)[C@@H](N)CO AM20100594 [1,1,0,0,0,0|2,0,0]=4 441 B6R0.3 NC[C@H](N)C(=O)O AM20080367 [1,1,0,0,0,0|1,1,0]=4 442 B6R0.3 NC[C@H](N)C(=O)O AM20100354 [1,1,0,0,0,0|1,1,0]=4 443 B6R0.3 NC[C@H](N)C(=O)O AM20100470 [1,1,0,0,0,0|1,1,0]=4 444 B6R0.3 NC[C@H](O)C(=O)O AM1113 [1,1,0,0,0,0|1,1,0]=4 445 B6R0.3 NC[C@H](O)C(=O)O AM82574 [1,1,0,0,0,0|1,1,0]=4 446 B6R0.3 N[C@@H](CCl)C(=O)O AMY22074 [1,1,0,0,0,0|1,1,0]=4 447 B6R0.3 N[C@@H](CCl)C(=O)O AMY22075 [1,1,0,0,0,0|1,1,0]=4 448 B6R0.3 N[C@@H](CO)C(=O)O AM20090412 [1,1,0,0,0,0|1,1,0]=4 449 B6R0.3 N[C@@H](CO)C(=O)O AM20090441 [1,1,0,0,0,0|1,1,0]=4 450 B6R0.3 N[C@@H](CO)C(=O)O AM20100375 [1,1,0,0,0,0|1,1,0]=4 451 B6R0.3 N[C@@H](CS)C(=O)O AM20070682 [1,1,0,0,0,0|1,1,0]=4 452 B6R0.3 N[C@@H](CS)C(=O)O AM81647 [1,1,0,0,0,0|1,1,0]=4 453 B6R0.3 N[C@@H](CS)C(=O)O AM81648 [1,1,0,0,0,0|1,1,0]=4 454 B6R0.3 N[C@@H](CS)C(=O)O AM81649 [1,1,0,0,0,0|1,1,0]=4 455 B6R0.3 N[C@@H](CS)C(=O)O AM81651 [1,1,0,0,0,0|1,1,0]=4 456 B6R0.3 N[C@H](CCl)C(=O)O AMY19767 [1,1,0,0,0,0|1,1,0]=4 457 B6R0.3 O=C(O)[C@@H](Br)CBr AM20100466 [1,1,0,0,0,0|1,1,0]=4 458 B6R0.4 C#CCOC(C)=O AM90264 [1,1,0,0,0,0|0,0,2]=4 459 B6R0.4 C=CCCC(=O)Cl AMY808 [1,1,0,0,0,0|1,0,1]=4 460 B6R0.4 C=CCCC(=O)O AMY12553 [1,1,0,0,0,0|0,1,1]=4 461 B6R0.4 C=CCCC(C)=O AM84335 [1,1,0,0,0,0|0,0,1]=3 462 B6R0.4 C=CCOC(C)=O AMY22115 [1,1,0,0,0,0|0,0,2]=4 463 B6R0.4 CC(=O)NCCN AMY40665 [1,1,0,0,0,0|1,0,0]=3 464 B6R0.4 CC(C)CCCO AMY39142 [1,1,0,0,0,0|1,0,1]=4 465 B6R0.4 CCCCC(=O)[O-] AMY026 [1,1,0,0,0,0|0,1,0]=3 466 B6R0.4 CCCCN(C)C AMY25818 [1,1,0,0,0,0|2,0,0]=4 467 B6R0.4 CCCOC(=O)Cl AMY3779 [1,1,0,0,0,0|1,0,0]=3 468 B6R0.4 CCOCC(=O)O AMY4062 [1,1,0,0,0,0|0,1,0]=3 469 B6R0.4 CCSCC(=O)O AM20100532 [1,1,0,0,0,0|0,1,0]=3 470 B6R0.4 CN(C)CCCCl AM84336 [1,1,0,0,0,0|2,0,0]=4 471 B6R0.4 CN(C)CCCCl AM90218 [1,1,0,0,0,0|2,0,0]=4 472 B6R0.4 CNCCC(=O)O AM84855 [1,1,0,0,0,0|0,1,0]=3 473 B6R0.4 CNCCC(C)C AMY37348 [1,1,0,0,0,0|1,0,1]=4 474 B6R0.4 CNCCC(C)C AMY37370 [1,1,0,0,0,0|1,0,1]=4 475 B6R0.4 CNCCN(C)C AMY10373 [1,1,0,0,0,0|2,0,0]=4 476 B6R0.4 COCCC(=O)O AMY2689 [1,1,0,0,0,0|0,1,0]=3 477 B6R0.4 C[C@H](Br)CCCBr AMY2526 [1,1,0,0,0,0|1,0,1]=4 478 B6R0.4 NC(=O)OCCCl AMY19018 [1,1,0,0,0,0|2,0,0]=4 479 B6R0.4 NCCCC(=O)O AM20100372 [1,1,0,0,0,0|0,1,0]=3 480 B6R0.4 NCCCC(N)=O AMY15220 [1,1,0,0,0,0|1,0,0]=3 481 B6R0.4 O=C(Cl)CCCCl AMY25684 [1,1,0,0,0,0|1,0,0]=3 482 B6R0.4 O=C(O)CCCS AM20080221 [1,1,0,0,0,0|0,1,0]=3 483 B6R0.5 CCCS(=O)(=O)Cl AMY39421 [1,1,0,0,0,0|1,1,0]=4 484 B6R0.5 CCCS(N)(=O)=O AMY27802 [1,1,0,0,0,0|1,1,0]=4 485 B6R0.5 CCOS(C)(=O)=O AMY38422 [1,1,0,0,0,0|2,0,0]=4 486 B6R0.5 CS(=O)(=O)CCBr AMY20175 [1,1,0,0,0,0|2,0,0]=4 487 B6R0.5 CS(=O)(=O)CCCl AM803975 [1,1,0,0,0,0|2,0,0]=4 488 B6R0.5 CS(=O)(=O)CCN AM20070694 [1,1,0,0,0,0|2,0,0]=4 489 B6R0.6 CCCCCCC AMY22304 [1,1,0,0,0,0|1,0,1]=4 490 B6R0.6 CCCCCCN AMY21942 [1,1,0,0,0,0|1,0,1]=4 491 B6R0.6 CCCCNCC AMY3985 [1,1,0,0,0,0|1,0,1]=4 492 B6R0.6 CCOCCCN AMY21920 [1,1,0,0,0,0|2,0,0]=4 493 B6R0.6 CCOCCCO AM20080058 [1,1,0,0,0,0|2,0,0]=4 494 B6R0.6 CCOCOCC AMY25683 [1,1,0,0,0,0|2,0,0]=4 495 B6R0.6 COCCCCBr AMY9376 [1,1,0,0,0,0|0,1,1]=4 496 B6R0.6 COCCCCO AM20080057 [1,1,0,0,0,0|0,1,1]=4 497 B6R0.6 C\C=C\CCCO AMY2616 [1,1,0,0,0,0|1,0,0]=3 498 B8R0.2 COC(=O)[C@@H](Br)C(C)=O AM85319 [0,2,0,0,0,0|0,1,1]=4 499 B8R0.2 COC(=O)[C@@H](Br)C(C)C AM20090325 [0,2,0,0,0,0|0,1,0]=3 500 B8R0.2 COC(=O)[C@@H](N)C(C)C AM20100385 [0,2,0,0,0,0|0,1,0]=3 501 B8R0.2 COC(=O)[C@@H](N)C(C)C AM20100557 [0,2,0,0,0,0|0,1,0]=3 502 B8R0.2 COC(=O)[C@@H](N)C(C)C AM20100674 [0,2,0,0,0,0|0,1,0]=3 503 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O AM82244 [0,2,0,0,0,0|0,1,0]=3 504 B8R0.2 COC(=O)[C@@H](O)C(C)C AMY16025 [0,2,0,0,0,0|0,1,0]=3 505 B8R0.2 COC(=O)[C@@H](O)C(C)C AMY31877 [0,2,0,0,0,0|0,1,0]=3 506 B8R0.2 COC(=O)[C@H](O)C(C)C AMY16017 [0,2,0,0,0,0|0,1,0]=3 507 B8R0.5 CC(C)OC(=O)OCCl AM20090681 [0,2,0,0,0,0|1,1,0]=4 508 B8R0.5 CCOC(=O)CN(C)C AMY3944 [0,2,0,0,0,0|1,1,0]=4 509 B8R0.5 CCOC(=O)C[C@H](C)Br AM9919 [0,2,0,0,0,0|0,1,0]=3 510 B8R0.5 CCOC(=O)C[C@H](C)N AMY314 [0,2,0,0,0,0|0,1,0]=3 511 B8R0.5 COCC(=O)OC(C)C AMY3876 [0,2,0,0,0,0|1,1,0]=4 512 B8R0.19 CCC(=O)CC(=O)CC AMY8840 [0,2,0,0,0,0|1,0,0]=3 513 B8R0.19 CCC(=O)CC(=O)OC AMY21932 [0,2,0,0,0,0|0,1,0]=3 514 B8R0.19 CC[C@H](O)CC(=O)OC AM85819 [0,2,0,0,0,0|0,1,0]=3 515 B8R0.19 COC(=N)CC(=O)OC AMY31003 [0,2,0,0,0,0|0,1,1]=4 516 B8R0.19 COC(=O)CC(=O)OC AMY10014 [0,2,0,0,0,0|0,1,1]=4 517 B8R0.23 C=C(C)C(=O)NC(C)C AM20080280 [0,2,0,0,0,0|2,0,0]=4 518 B8R0.23 CC(C)CC(=O)C(=O)[O-] AMY25700 [0,2,0,0,0,0|2,0,0]=4 519 B8R0.23 CC(C)NC(=O)C(C)C AMY10581 [0,2,0,0,0,0|2,0,0]=4 520 B8R0.23 CC(C)OC(=O)[C@@H](C)N AMY30889 [0,2,0,0,0,0|2,0,0]=4 521 B8R0.23 CC(C)OC(=O)[C@H](C)N AMY852 [0,2,0,0,0,0|2,0,0]=4 522 B8R0.24 CCC(=O)OC(C)(C)C AMY3894 [0,2,0,0,0,0|2,0,0]=4 523 B8R0.24 CNC(=O)CS(C)(=O)=O AMY20605 [0,2,0,0,0,0|2,0,0]=4 524 B8R0.24 CNC(=O)OC(C)(C)C AMY31371 [0,2,0,0,0,0|2,0,0]=4 525 B8R0.24 COC(=O)CC(F)(F)F AMY6839 [0,2,0,0,0,0|1,1,0]=4 526 B8R0.24 COC(=O)CS(C)(=O)=O AM1105 [0,2,0,0,0,0|1,1,0]=4 527 B8R0.1 C=CCCC(=O)OCC AMY3888 [0,2,0,0,0,0|0,1,1]=4 528 B8R0.1 CCC#CC(=O)OCC AMY1274 [0,2,0,0,0,0|0,1,1]=4 529 B8R0.1 CCOC(=O)CCCBr AM84904 [0,2,0,0,0,0|0,1,0]=3 530 B8R0.1 CCOC(=O)CCCN AM808169 [0,2,0,0,0,0|0,1,0]=3 531 B8R0.1 CCOC(=O)CCCO AMY4323 [0,2,0,0,0,0|0,1,0]=3 532 B8R0.1 CCOC(=O)\C=C\CBr AMF0008 [0,2,0,0,0,0|2,0,0]=4 533 B8R0.1 CCOCC(=O)OCC AMY4116 [0,2,0,0,0,0|0,1,0]=3 534 B8R0.3 C=C(CBr)C(=O)OCC AMY39543 [0,2,0,0,0,0|2,0,0]=4 535 B8R0.3 CCCC(=O)N(C)OC AM90018 [0,2,0,0,0,0|0,1,0]=3 536 B8R0.3 CCC[C@H](N)C(=O)OC AM82602 [0,2,0,0,0,0|0,1,0]=3 537 B8R0.3 CCN[C@@H](C)C(=O)OC AM20120635 [0,2,0,0,0,0|0,1,0]=3 538 B8R0.3 CCOC(=O)C(=O)CBr AMY866 [0,2,0,0,0,0|2,0,0]=4 539 B8R0.3 CCOC(=O)C(=O)CC AM20080427 [0,2,0,0,0,0|0,1,1]=4 540 B8R0.3 CCOC(=O)N(C)N=O AMY41354 [0,2,0,0,0,0|2,0,0]=4 541 B8R0.3 CCOC(=O)[C@@H](Br)CBr AMY25656 [0,2,0,0,0,0|1,1,0]=4 542 B8R0.3 CCOC(=O)[C@@H](C)CN AMY13618 [0,2,0,0,0,0|1,1,0]=4 543 B8R0.3 CCOC(=O)[C@@H](N)CO AM82214 [0,2,0,0,0,0|1,1,0]=4 544 B8R0.3 CCOC(=O)[C@@H](N)CO AM82215 [0,2,0,0,0,0|1,1,0]=4 545 B8R0.3 CCOC(=O)[C@@H](N)CS AM20110240 [0,2,0,0,0,0|1,1,0]=4 546 B8R0.3 CCOC(=O)[C@H](C)NC AM8903 [0,2,0,0,0,0|1,1,0]=4 547 B8R0.3 COC(=O)[C@@H](Br)CCBr AMY30914 [0,2,0,0,0,0|0,1,0]=3 548 B8R0.6 CCCCNC(=O)CCl AM20100314 [0,2,0,0,0,0|2,0,0]=4 549 B8R0.6 CCNCCC(=O)OC AMY20543 [0,2,0,0,0,0|0,1,0]=3 550 B8R0.6 COC(=O)CCCCBr AM20120637 [0,2,0,0,0,0|0,1,0]=3 551 B8R0.6 COC(=O)CCN=C=O AMY6679 [0,2,0,0,0,0|0,1,1]=4 552 B8R0.8 C=C(C)C(=O)NCCO AMY25704 [0,2,0,0,0,0|2,0,0]=4 553 B8R0.8 C=C(C)C(=O)NCOC AMY11203 [0,2,0,0,0,0|2,0,0]=4 554 B8R0.8 C=C(C)C(=O)OCCCl AMY18680 [0,2,0,0,0,0|2,0,0]=4 555 B8R0.8 C=C(C)C(=O)OCCN AM10040 [0,2,0,0,0,0|2,0,0]=4 556 B8R0.8 C=C(C)C(=O)OCCN AM90246 [0,2,0,0,0,0|2,0,0]=4 557 B8R0.8 CCCCC(=O)C(=O)O AMY6080 [0,2,0,0,0,0|2,0,0]=4 558 B8R0.8 CCCCC(=O)C(=O)[O-] AMY38328 [0,2,0,0,0,0|2,0,0]=4 559 B8R0.8 CCCCC(=O)[C@H](C)N AM20120673 [0,2,0,0,0,0|1,0,0]=3 560 B8R0.9 CCC(=O)CCC(=O)O AMY30226 [0,2,0,0,0,0|1,0,1]=4 561 B8R0.9 CCC(=O)COC(C)=O AM20080565 [0,2,0,0,0,0|1,0,1]=4 562 B8R0.9 COC(=O)CCC(=O)O AM20100028 [0,2,0,0,0,0|0,1,1]=4 563 B8R0.9 COC(=O)CCC(=O)[O-] AMY4106 [0,2,0,0,0,0|0,1,1]=4 564 B8R0.9 COC(=O)CCN(C)C AM807052 [0,2,0,0,0,0|0,1,0]=3 565 B8R0.14 CCCC(=O)C(F)(F)F AMY6876 [0,2,0,0,0,0|2,0,0]=4 566 B8R0.14 CCOC(=O)C(C)(C)Br AM20100465 [0,2,0,0,0,0|2,0,0]=4 567 B8R0.14 CCOC(=O)C(C)(F)F AMY1269 [0,2,0,0,0,0|2,0,0]=4 568 B8R0.15 CCC[C@H](NC)C(=O)O AM9227 [0,2,0,0,0,0|1,0,1]=4 569 B8R0.22 CCC[C@@H](CC=O)SC AMY39512 [0,2,0,0,0,0|0,0,1]=3 570 B8R0.13 COC(=O)C(C)(C)CN AMY19450 [0,2,0,0,0,0|1,1,0]=4 571 B8R0.13 COC(=O)C(C)(C)CN AMY19451 [0,2,0,0,0,0|1,1,0]=4 572 B8R0.13 COC(=O)C(F)(F)CBr AMY18660 [0,2,0,0,0,0|1,1,0]=4 573 B8R0.20 CC[C@H](NC)C(=O)OC AM9125 [0,2,0,0,0,0|0,1,0]=3 574 B8R0.20 CN[C@@H](CO)C(=O)OC AM8885 [0,2,0,0,0,0|1,1,0]=4 575 B8R0.20 COC(=O)C(OC)OC AM20120283 [0,2,0,0,0,0|1,1,0]=4 576 B6R1.2 BrC1=CCCC1 AMY38286 [1,0,0,1,0,0|1,0,1]=4 577 B6R1.2 BrC1CCCC1 AM20080273 [1,0,0,1,0,0|1,0,1]=4 578 B6R1.2 C=C1CCOC1 AMY6014 [1,0,0,1,0,0|2,0,0]=4 579 B6R1.2 CC1=CCCC1 AMY6023 [1,0,0,1,0,0|1,0,0]=3 580 B6R1.2 CC1=NCCC1 AMY886 [1,0,0,1,0,0|1,0,0]=3 581 B6R1.2 CC1=NCCS1 AMY23228 [1,0,0,1,0,0|1,1,0]=4 582 B6R1.2 CC1CCCC1 AMY21930 [1,0,0,1,0,0|1,0,1]=4 583 B6R1.2 CN1CCCC1 AMY25542 [1,0,0,1,0,0|2,0,0]=4 584 B6R1.2 C[C@H]1CCCN1 AM20080260 [1,0,0,1,0,0|1,0,1]=4 585 B6R1.2 C[C@H]1CCCN1 AM20090040 [1,0,0,1,0,0|1,0,1]=4 586 B6R1.2 C[C@H]1CCCN1 AM20100102 [1,0,0,1,0,0|1,0,1]=4 587 B6R1.2 C[C@H]1CCCN1 AM20100445 [1,0,0,1,0,0|1,0,1]=4 588 B6R1.2 C[C@H]1CCCN1 AM20100751 [1,0,0,1,0,0|1,0,1]=4 589 B6R1.2 C[C@H]1CCCO1 AM81816 [1,0,0,1,0,0|0,0,2]=4 590 B6R1.2 ClC1CCCC1 AMY22306 [1,0,0,1,0,0|1,0,1]=4 591 B6R1.2 IC1CCCC1 AMY3844 [1,0,0,1,0,0|1,0,1]=4 592 B6R1.2 N=C1CCCC1 AMY39966 [1,0,0,1,0,0|1,0,0]=3 593 B6R1.2 NC1=NCCS1 AMY202003298 [1,0,0,1,0,0|2,0,0]=4 594 B6R1.2 NC1CCCC1 AMY3757 [1,0,0,1,0,0|1,0,1]=4 595 B6R1.2 O=C1C=CCC1 AM61702 [1,0,0,1,0,0|0,0,2]=4 596 B6R1.2 O=C1CCCC1 AMY37126 [1,0,0,1,0,0|0,0,0]=2 597 B6R1.2 O=C1CCCN1 AMY25506 [1,0,0,1,0,0|1,0,0]=3 598 B6R1.2 O=C1CCNC1 AM20120384 [1,0,0,1,0,0|1,0,0]=3 599 B6R1.2 O=C1CCNC1 AMY6183 [1,0,0,1,0,0|1,0,0]=3 600 B6R1.2 O=C1CCNN1 AMY39277 [1,0,0,1,0,0|2,0,0]=4 601 B6R1.2 O=C1CCOC1 AM20090235 [1,0,0,1,0,0|1,0,0]=3 602 B6R1.2 O=C1CCSC1 AMY23378 [1,0,0,1,0,0|1,0,0]=3 603 B6R1.2 O=C1CNCN1 AM84594 [1,0,0,1,0,0|2,0,0]=4 604 B6R1.2 O=C1NCCN1 AM20080146 [1,0,0,1,0,0|2,0,0]=4 605 B6R1.2 O=C1NCCO1 AMY39498 [1,0,0,1,0,0|1,1,0]=4 606 B6R1.2 OC1CCCC1 AMY3616 [1,0,0,1,0,0|0,0,2]=4 607 B6R1.2 SC1=NCCS1 AMY23225 [1,0,0,1,0,0|1,1,0]=4 608 B6R1.5 C=C1CC(N)C1 AM84287 [1,0,0,1,0,0|2,0,0]=4 609 B6R1.5 C=C1CC(N)C1 AM84288 [1,0,0,1,0,0|2,0,0]=4 610 B6R1.5 CC1CC(=O)C1 AM806996 [1,0,0,1,0,0|0,0,0]=2 611 B6R1.5 NC1CC(=O)C1 AM20070559 [1,0,0,1,0,0|1,0,0]=3 612 B6R1.5 O=C1CC(O)C1 AMY33736 [1,0,0,1,0,0|1,0,0]=3 613 B6R1.10 CC1(N)CCC1 AM808140 [1,0,0,1,0,0|1,0,1]=4 614 B6R1.10 CC1(N)CCC1 AMY1785 [1,0,0,1,0,0|1,0,1]=4 615 B6R1.10 O=S1(=O)CCC1 AM20100397 [1,0,0,1,0,0|1,1,0]=4 616 B6R1.11 CC(=O)C1CC1 AM83286 [1,0,0,1,0,0|0,0,0]=2 617 B6R1.11 C[C@H](N)C1CC1 AM804149 [1,0,0,1,0,0|1,0,1]=4 618 B6R1.11 C[C@H](N)C1CC1 AM806511 [1,0,0,1,0,0|1,0,1]=4 619 B6R1.11 C[C@H](O)C1CC1 AM804334 [1,0,0,1,0,0|0,0,2]=4 620 B6R1.11 N=C(N)C1CC1 AM804064 [1,0,0,1,0,0|2,0,0]=4 621 B6R1.11 N=C(N)C1CC1 AMY202003285 [1,0,0,1,0,0|2,0,0]=4 622 B6R1.11 NC(=O)C1CC1 AM20100524 [1,0,0,1,0,0|1,0,0]=3 623 B6R1.11 NC(=O)[C@@H]1CN1 AMY19258 [1,0,0,1,0,0|2,0,0]=4 624 B6R1.11 NC(=S)C1CC1 AMY30195 [1,0,0,1,0,0|1,0,1]=4 625 B6R1.11 O=C(Cl)C1CC1 AMY3975 [1,0,0,1,0,0|1,0,0]=3 626 B6R1.11 O=C(O)C1CC1 AM83282 [1,0,0,1,0,0|0,1,0]=3 627 B6R1.11 O=C([O-])[C@@H]1CO1 AM85800 [1,0,0,1,0,0|1,1,0]=4 628 B6R1.11 O=[S@]([O-])C1CC1 AMY20620 [1,0,0,1,0,0|1,1,0]=4 629 B6R1.1 C1=CCCCC1 AMY17792 [1,0,0,1,0,0|1,0,0]=3 630 B6R1.1 C1=CCNCC1 AMY5955 [1,0,0,1,0,0|2,0,0]=4 631 B6R1.1 C1=CCOCC1 AM9907 [1,0,0,1,0,0|2,0,0]=4 632 B6R1.1 C1=CCSCC1 AMY37369 [1,0,0,1,0,0|2,0,0]=4 633 B6R1.1 C1=COCCC1 AMY39440 [1,0,0,1,0,0|0,1,1]=4 634 B6R1.1 C1=NCCCN1 AMY22014 [1,0,0,1,0,0|2,0,0]=4 635 B6R1.1 C1CCCCC1 AMY11047 [1,0,0,1,0,0|1,0,1]=4 636 B6R1.1 C1CCNCC1 AMY40816 [1,0,0,1,0,0|1,0,1]=4 637 B6R1.1 C1CCNNC1 AMY19957 [1,0,0,1,0,0|2,0,0]=4 638 B6R1.1 C1CCOCC1 AMY8873 [1,0,0,1,0,0|0,1,1]=4 639 B6R1.1 C1CCONC1 AM804032 [1,0,0,1,0,0|1,1,0]=4 640 B6R1.1 C1CCONC1 AMY42463 [1,0,0,1,0,0|1,1,0]=4 641 B6R1.1 C1CSCCN1 AM807014 [1,0,0,1,0,0|1,0,1]=4 642 B6R1.1 C1CSCCO1 AMY25585 [1,0,0,1,0,0|1,0,1]=4 643 B6R1.6 CSC1CNC1 AM20080315 [1,0,0,1,0,0|1,0,1]=4 644 B8R1.1 CC[C@H]1CNC(=O)O1 AM806527 [0,1,0,1,0,0|1,0,0]=3 645 B8R1.1 NC[C@@H]1CCC(=O)N1 AMY21674 [0,1,0,1,0,0|2,0,0]=4 646 B8R1.1 NC[C@@H]1CNC(=O)C1 AMY34438 [0,1,0,1,0,0|1,0,0]=3 647 B8R1.1 NC[C@@H]1CNC(=O)C1 AMY4351 [0,1,0,1,0,0|1,0,0]=3 648 B8R1.1 NC[C@H]1CCC(=O)N1 AMY21633 [0,1,0,1,0,0|2,0,0]=4 649 B8R1.1 NC[C@H]1CNC(=O)C1 AMY34442 [0,1,0,1,0,0|1,0,0]=3 650 B8R1.1 NC[C@H]1CNC(=O)O1 AMY33861 [0,1,0,1,0,0|2,0,0]=4 651 B8R1.1 O=C1CC[C@@H](CBr)N1 AMY25044 [0,1,0,1,0,0|2,0,0]=4 652 B8R1.1 O=C1CC[C@H](CO)N1 AM20090035 [0,1,0,1,0,0|2,0,0]=4 653 B8R1.1 O=C1CC[C@H](CO)N1 AM20100613 [0,1,0,1,0,0|2,0,0]=4 654 B8R1.1 O=C1CC[C@H](CO)O1 AM20090484 [0,1,0,1,0,0|2,0,0]=4 655 B8R1.1 O=C1C[C@H](CO)CO1 AM806516 [0,1,0,1,0,0|0,1,0]=3 656 B8R1.1 O=C1NC[C@H](CO)O1 AMY20364 [0,1,0,1,0,0|2,0,0]=4 657 B8R1.1 O=C1N[C@@H](CI)CO1 AMY21405 [0,1,0,1,0,0|1,1,0]=4 658 B8R1.1 O=C1N[C@@H](CO)CO1 AMY21700 [0,1,0,1,0,0|1,1,0]=4 659 B8R1.1 O=C1N[C@H](CI)CO1 AMY21406 [0,1,0,1,0,0|1,1,0]=4 660 B8R1.1 O=C1N[C@H](CO)CO1 AMY21777 [0,1,0,1,0,0|1,1,0]=4 661 B8R1.4 C=C1CCO[C@@H](C)C1 AMY6013 [0,1,0,1,0,0|2,0,0]=4 662 B8R1.4 CN1CCCC(=O)C1 AM20100357 [0,1,0,1,0,0|1,0,0]=3 663 B8R1.4 CN1CCNC(=O)C1 AMY22966 [0,1,0,1,0,0|2,0,0]=4 664 B8R1.4 C[C@H]1CC(=O)CCN1 AM20080278 [0,1,0,1,0,0|1,0,0]=3 665 B8R1.4 C[C@H]1CC(=O)CCN1 AMY13581 [0,1,0,1,0,0|1,0,0]=3 666 B8R1.4 C[C@H]1CC(=O)CCO1 AMY5961 [0,1,0,1,0,0|1,0,0]=3 667 B8R1.4 C[C@H]1CCCC(=O)N1 AMY16211 [0,1,0,1,0,0|1,0,0]=3 668 B8R1.4 C[C@H]1CNCC(=O)N1 AM804110 [0,1,0,1,0,0|2,0,0]=4 669 B8R1.4 N[C@H]1CCNC(=O)C1 AM20100356 [0,1,0,1,0,0|1,0,0]=3 670 B8R1.4 N[C@H]1CCNC(=O)C1 AMY34928 [0,1,0,1,0,0|1,0,0]=3 671 B8R1.4 O=C1CCCC(=O)C1 AM20070493 [0,1,0,1,0,0|1,0,1]=4 672 B8R1.4 O=C1CCCC(=O)N1 AMY400 [0,1,0,1,0,0|1,0,1]=4 673 B8R1.4 O=C1CCCC(=O)O1 AM1000009 [0,1,0,1,0,0|0,1,1]=4 674 B8R1.4 O=C1CCNC(=O)C1 AM20100242 [0,1,0,1,0,0|1,0,1]=4 675 B8R1.4 O=C1C[C@@H](O)CCN1 AMY14353 [0,1,0,1,0,0|1,0,0]=3 676 B8R1.4 O=C1C[C@@H](O)CCN1 AMY9138 [0,1,0,1,0,0|1,0,0]=3 677 B8R1.4 O=C1C[C@H](O)CCN1 AMY41749 [0,1,0,1,0,0|1,0,0]=3 678 B8R1.18 CN1C[C@@H](N)CC1=O AMY34923 [0,1,0,1,0,0|1,0,0]=3 679 B8R1.18 C[C@H]1CC(=O)N(C)C1 AM86073 [0,1,0,1,0,0|1,0,0]=3 680 B8R1.40 COC(=O)CC1CC1 AMY34208 [0,1,0,1,0,0|0,1,0]=3 681 B8R1.40 O=C(CCl)NC1CC1 AM86723 [0,1,0,1,0,0|2,0,0]=4 682 B8R1.51 CC1(C)C=CC(=O)C1 AMY17841 [0,1,0,1,0,0|1,0,1]=4 683 B8R1.51 CC1(C)CCC(=O)C1 AMY38476 [0,1,0,1,0,0|1,0,0]=3 684 B8R1.51 CC1(C)CCC(=O)N1 AM1043 [0,1,0,1,0,0|2,0,0]=4 685 B8R1.51 CC1(C)COC(=O)N1 AMY3917 [0,1,0,1,0,0|1,1,0]=4 686 B8R1.51 O=C1CCC(F)(F)C1 AMY6155 [0,1,0,1,0,0|2,0,0]=4 687 B8R1.2 CC=C1CCOCC1 AMY6099 [0,1,0,1,0,0|2,0,0]=4 688 B8R1.2 COC1=CCOCC1 AMY33855 [0,1,0,1,0,0|1,1,0]=4 689 B8R1.2 CSC1=NCCCN1 AMY7072 [0,1,0,1,0,0|1,0,0]=3 690 B8R1.2 CSC1CCNCC1 AM20090171 [0,1,0,1,0,0|1,0,1]=4 691 B8R1.2 N#CC1=CCCCC1 AMY16356 [0,1,0,1,0,0|2,0,0]=4 692 B8R1.2 O=CC1=CCCCC1 AMY18835 [0,1,0,1,0,0|1,0,0]=3 693 B8R1.2 O=CC1=CCCOC1 AM803164 [0,1,0,1,0,0|2,0,0]=4 694 B8R1.2 O=CC1CCCCC1 AM83285 [0,1,0,1,0,0|1,0,1]=4 695 B8R1.2 O=CN1CCCCC1 AMY3400 [0,1,0,1,0,0|2,0,0]=4 696 B8R1.2 O=C[C@@H]1CCCCN1 AM100250 [0,1,0,1,0,0|1,0,1]=4 697 B8R1.2 O=C[C@@H]1CCCCN1 AM90777 [0,1,0,1,0,0|1,0,1]=4 698 B8R1.3 CC1=NNC(=O)CC1 AMY24896 [0,1,0,1,0,0|2,0,0]=4 699 B8R1.3 CC1CCC(=O)CC1 AMY17977 [0,1,0,1,0,0|1,0,0]=3 700 B8R1.3 CN1CC=C(Br)CC1 AMY5718 [0,1,0,1,0,0|2,0,0]=4 701 B8R1.3 CN1CCC(=O)CC1 AM20080337 [0,1,0,1,0,0|1,0,0]=3 702 B8R1.3 C[C@@H]1C=CC(=O)CC1 AMY6166 [0,1,0,1,0,0|1,0,1]=4 703 B8R1.3 C[C@@H]1CNC(=O)CN1 AMY35752 [0,1,0,1,0,0|1,0,0]=3 704 B8R1.3 C[C@H]1CNC(=O)CN1 AMY35750 [0,1,0,1,0,0|1,0,0]=3 705 B8R1.3 NC1CCC(=O)CC1 AM101128 [0,1,0,1,0,0|1,0,0]=3 706 B8R1.3 NC1CCC(=O)CC1 AMY42375 [0,1,0,1,0,0|1,0,0]=3 707 B8R1.3 N[C@@H]1CCC(=O)NC1 AMY31957 [0,1,0,1,0,0|1,0,0]=3 708 B8R1.3 N[C@H]1CCC(=O)NC1 AMY24060 [0,1,0,1,0,0|1,0,0]=3 709 B8R1.3 O=C1CCC(=O)NC1 AMY24844 [0,1,0,1,0,0|1,0,1]=4 710 B8R1.3 O=C1CCC(F)CC1 AM20070506 [0,1,0,1,0,0|1,0,0]=3 711 B8R1.3 O=C1CCC(O)CC1 AMY17986 [0,1,0,1,0,0|1,0,0]=3 712 B8R1.3 O=C1CC[C@H](O)CN1 AM84823 [0,1,0,1,0,0|1,0,0]=3 713 B8R1.5 CC1=NCCCN1C AM20100127 [0,1,0,1,0,0|2,0,0]=4 714 B8R1.5 CN1CCNCC1=O AM20100457 [0,1,0,1,0,0|1,0,0]=3 715 B8R1.5 CN1CCNCC1=O AMY39473 [0,1,0,1,0,0|1,0,0]=3 716 B8R1.5 C[C@@H]1SCCNC1=O AM20100643 [0,1,0,1,0,0|2,0,0]=4 717 B8R1.5 C[C@H]1CCCCC1=O AMY18022 [0,1,0,1,0,0|1,0,0]=3 718 B8R1.5 C[C@H]1CNCCC1=O AM20080736 [0,1,0,1,0,0|1,0,0]=3 719 B8R1.5 C[C@H]1CNCCC1=O AMY34879 [0,1,0,1,0,0|1,0,0]=3 720 B8R1.5 C[C@H]1COCCC1=O AM91072 [0,1,0,1,0,0|1,0,0]=3 721 B8R1.5 N[C@@H]1CCCNC1=O AMY4367 [0,1,0,1,0,0|1,0,0]=3 722 B8R1.5 N[C@H]1CCCCC1=O AMY19399 [0,1,0,1,0,0|1,0,0]=3 723 B8R1.5 N[C@H]1CCCNC1=O AMY4262 [0,1,0,1,0,0|1,0,0]=3 724 B8R1.5 N[C@H]1CCCNC1=O AMY769 [0,1,0,1,0,0|1,0,0]=3 725 B8R1.5 O=C1CCCCC1=O AM20070526 [0,1,0,1,0,0|1,0,0]=3 726 B8R1.5 O=C1CCCC[C@@H]1Br AM10048 [0,1,0,1,0,0|1,0,0]=3 727 B8R1.5 O=C1CCCC[C@@H]1F AMY42368 [0,1,0,1,0,0|1,0,0]=3 728 B8R1.5 O=C1CCNC[C@@H]1Br AM85422 [0,1,0,1,0,0|2,0,0]=4 729 B8R1.5 O=C1CCNC[C@@H]1F AMY6018 [0,1,0,1,0,0|2,0,0]=4 730 B8R1.5 O=C1CCNC[C@@H]1F AMY6089 [0,1,0,1,0,0|2,0,0]=4 731 B8R1.5 O=C1CCOC[C@@H]1Br AMY6158 [0,1,0,1,0,0|2,0,0]=4 732 B8R1.5 O=C1CCOC[C@@H]1F AMY6088 [0,1,0,1,0,0|2,0,0]=4 733 B8R1.22 O=C1CCCCCC1 AMY3995 [0,1,0,1,0,0|1,0,0]=3 734 B8R1.22 O=C1CCCCCN1 AM802872 [0,1,0,1,0,0|1,0,0]=3 735 B8R1.22 O=C1CCCNCC1 AM20100232 [0,1,0,1,0,0|1,0,0]=3 736 B8R1.22 O=C1CCNCCN1 AM20090172 [0,1,0,1,0,0|1,0,0]=3 737 B8R1.22 O=C1CCNCCN1 AM85736 [0,1,0,1,0,0|1,0,0]=3 738 B8R1.22 O=C1CNCCCN1 AM804637 [0,1,0,1,0,0|1,0,0]=3 739 B8R1.38 CNC(=O)C1CCC1 AMY32244 [0,1,0,1,0,0|1,0,0]=3 740 B8R1.38 COC(=O)C1CCC1 AM20070621 [0,1,0,1,0,0|0,1,0]=3 741 B8R1.38 COC(=O)C1CNC1 AM20070638 [0,1,0,1,0,0|0,1,0]=3 742 B8R1.38 COC(=O)C1CNC1 AMY4957 [0,1,0,1,0,0|0,1,0]=3 743 B8R1.38 COC(=O)[C@@H]1CCN1 AMY38525 [0,1,0,1,0,0|0,1,0]=3 744 B8R1.38 COC(=O)[C@@H]1CCN1 AMY6585 [0,1,0,1,0,0|0,1,0]=3 745 B8R1.38 COC(=O)[C@H]1CCN1 AMY38522 [0,1,0,1,0,0|0,1,0]=3 746 B8R1.38 NNC(=O)C1CCC1 AM20070630 [0,1,0,1,0,0|2,0,0]=4 747 B8R1.38 O=C(CBr)N1CCC1 AMY15408 [0,1,0,1,0,0|2,0,0]=4 748 B8R1.38 O=C(CCl)N1CCC1 AM804165 [0,1,0,1,0,0|2,0,0]=4 749 B8R1.50 CC1=C(C)C(=O)OC1 AM20080413 [0,1,0,1,0,0|1,0,1]=4 750 B8R1.50 CC1C(=O)CCC1=O AM20100124 [0,1,0,1,0,0|1,0,1]=4 751 B8R1.50 CN1C(=O)CCC1=O AMY228 [0,1,0,1,0,0|1,0,1]=4 752 B8R1.50 CN1CCN(C)C1=O AMY25786 [0,1,0,1,0,0|2,0,0]=4 753 B8R1.50 CN1CC[C@H](N)C1=O AMY15163 [0,1,0,1,0,0|1,0,0]=3 754 B8R1.50 C[C@H]1CCN(C)C1=O AM86096 [0,1,0,1,0,0|1,0,0]=3 755 B8R1.50 N[C@@H]1C(=O)OC[C@H]1O AMY41888 [0,1,0,1,0,0|1,1,0]=4 756 B8R1.7 CC(=O)C1=NCCC1 AMY42086 [0,1,0,1,0,0|2,0,0]=4 757 B8R1.19 CC1(C)CCCC1=O AMY25679 [0,1,0,1,0,0|1,0,0]=3 758 B8R1.19 CC1(C)CCNC1=O AMY23821 [0,1,0,1,0,0|2,0,0]=4 759 B8R1.37 CCOC(=O)C1CC1 AMY3988 [0,1,0,1,0,0|0,1,0]=3 760 B8R1.37 CCOC(=O)[C@@H]1CO1 AMY5207 [0,1,0,1,0,0|1,1,0]=4 761 B8R1.37 CCOC(=O)[C@H]1CO1 AMY31967 [0,1,0,1,0,0|1,1,0]=4 762 B8R1.37 N#CCC(=O)C1CC1 AM806869 [0,1,0,1,0,0|1,0,1]=4 763 B8R1.54 C[C@H](Br)C(=O)C1CC1 AMY34721 [0,1,0,1,0,0|1,0,0]=3 764 B8R1.54 O=C(O)C(=O)C1CC1 AM86577 [0,1,0,1,0,0|2,0,0]=4 765 B8R1.11 CN1CCC[C@H]1C=O AM101350 [0,1,0,1,0,0|1,0,1]=4 766 B8R1.11 CN1CCC[C@H]1C=O AM92013 [0,1,0,1,0,0|1,0,1]=4 767 B8R1.11 N#C[C@H]1CCCC1=O AMY4320 [0,1,0,1,0,0|1,0,1]=4 768 B8R1.11 N#C[C@H]1CSCC1=O AMY10953 [0,1,0,1,0,0|1,0,1]=4 769 B8R1.11 O=C1CCC=C1CO AMY2077 [0,1,0,1,0,0|1,0,1]=4 770 B8R1.11 O=C1NCC[C@@H]1CO AMY34785 [0,1,0,1,0,0|2,0,0]=4 771 B8R1.39 COC(=O)C1(Br)CC1 AMY18857 [0,1,0,1,0,0|0,1,0]=3 772 B8R1.39 COC(=O)C1(N)CC1 AM804291 [0,1,0,1,0,0|0,1,0]=3 773 B8R1.39 COC(=O)C1(N)CC1 AMY40707 [0,1,0,1,0,0|0,1,0]=3 774 B8R1.39 COC(=O)C1(O)CC1 AM85732 [0,1,0,1,0,0|0,1,0]=3 775 B8R1.39 O=C(CCl)C1(Cl)CC1 AMY11228 [0,1,0,1,0,0|2,0,0]=4 776 B8R1.72 O=S1(=O)CCCCN1 AM803804 [0,1,0,1,0,0|2,0,0]=4 777 B8R2.19 O=C1CCC12CC2 AMY35720 [0,0,0,2,0,0|1,0,0]=3