0 B6R0.1 BrCC[C@H](Br)CBr AMY18008 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.1 C=CC(=O)NCC AMY36703 [0,0,0,0,0,0|1,0,2]=3 2 B6R0.1 C=CC(=O)OCC AMY40211 [0,0,0,0,0,0|1,0,2]=3 3 B6R0.1 CC\C=C(/C)C=O AMY2564 [0,0,0,0,0,0|2,0,2]=4 4 B6R0.1 C[C@@H](CO)CCO AMY37668 [0,0,0,0,0,0|3,0,1]=4 5 B6R0.1 C[C@H](CN)CCN AMY1782 [0,0,0,0,0,0|3,0,1]=4 6 B6R0.1 C[C@H](CO)CCO AMY37676 [0,0,0,0,0,0|3,0,1]=4 7 B6R0.1 N#CC[C@H](O)CCl AM81472 [0,0,0,0,0,0|2,0,2]=4 8 B6R0.1 N#CC[C@H](O)CCl AM81473 [0,0,0,0,0,0|2,0,2]=4 9 B6R0.1 OCC[C@H](O)CO AMY14876 [0,0,0,0,0,0|2,0,1]=3 10 B6R0.1 OCC[C@H](O)CO AMY6061 [0,0,0,0,0,0|2,0,1]=3 11 B5R0.1 C=C(C)CCBr AMY7022 [1,0,0,0,0,0|2,0,1]=4 12 B5R0.1 C=CC[C@H](C)O AM804193 [1,0,0,0,0,0|0,0,3]=4 13 B5R0.1 CCCB(O)O AMY987 [1,0,0,0,0,0|2,0,0]=3 14 B5R0.1 CCCC(=N)N AM802888 [1,0,0,0,0,0|2,0,1]=4 15 B5R0.1 CCCC(=N)N AMY2389 [1,0,0,0,0,0|2,0,1]=4 16 B5R0.1 CCCC(C)=O AMY25524 [1,0,0,0,0,0|0,0,3]=4 17 B5R0.1 CCC[C@H](C)N AMY12548 [1,0,0,0,0,0|1,0,1]=3 18 B5R0.1 CCNC(C)C AMY13342 [1,0,0,0,0,0|2,0,1]=4 19 B5R0.1 CNCC(=O)O AM20080021 [1,0,0,0,0,0|2,0,1]=4 20 B5R0.1 COCC(=O)O AMY4059 [1,0,0,0,0,0|2,0,1]=4 21 B5R0.1 COC[C@@H](C)N AMY19545 [1,0,0,0,0,0|2,0,1]=4 22 B5R0.1 COC[C@H](C)O AM20100219 [1,0,0,0,0,0|1,0,1]=3 23 B5R0.1 C[C@@H](O)CCO AMY25740 [1,0,0,0,0,0|1,0,1]=3 24 B5R0.1 C[C@H](N)CCO AM84886 [1,0,0,0,0,0|2,0,1]=4 25 B5R0.1 C[C@H](N)CCO AM9719 [1,0,0,0,0,0|2,0,1]=4 26 B5R0.1 C[C@H](N)CCO AMY409 [1,0,0,0,0,0|2,0,1]=4 27 B5R0.1 C[C@H](O)CNN AM803409 [1,0,0,0,0,0|2,0,1]=4 28 B5R0.1 NCCC(=O)O AM20080020 [1,0,0,0,0,0|2,0,1]=4 29 B5R0.1 NCCC(=O)O AMY22128 [1,0,0,0,0,0|2,0,1]=4 30 B5R0.1 O=C(O)CCBr AM20100434 [1,0,0,0,0,0|2,0,1]=4 31 B5R0.1 O=C(O)CCF AM803932 [1,0,0,0,0,0|2,0,1]=4 32 B5R0.1 O=C(O)CCO AM85796 [1,0,0,0,0,0|2,0,1]=4 33 B5R0.1 O=C(O)CCS AMY27767 [1,0,0,0,0,0|2,0,1]=4 34 B5R0.2 BrCCCCBr AM20080049 [1,0,0,0,0,0|2,0,1]=4 35 B5R0.2 C#CCCCC AMY1242 [1,0,0,0,0,0|0,0,2]=3 36 B5R0.2 C=CCCC=C AMY18716 [1,0,0,0,0,0|0,0,2]=3 37 B5R0.2 C=CCCC=C AMY19739 [1,0,0,0,0,0|0,0,2]=3 38 B5R0.2 C=CCCCBr AM20080066 [1,0,0,0,0,0|1,0,0]=2 39 B5R0.2 C=CCCCO AMY41353 [1,0,0,0,0,0|1,0,0]=2 40 B5R0.2 C=CCNC=O AMY24779 [1,0,0,0,0,0|2,0,1]=4 41 B5R0.2 CCCCCBr AMY9378 [1,0,0,0,0,0|1,0,1]=3 42 B5R0.2 CCCCCC AMY22305 [1,0,0,0,0,0|0,0,2]=3 43 B5R0.2 CCCCCN AMY21878 [1,0,0,0,0,0|1,0,1]=3 44 B5R0.2 CCCCCS AMY19243 [1,0,0,0,0,0|1,0,1]=3 45 B5R0.2 CCCCNN AMY202003284 [1,0,0,0,0,0|2,0,0]=3 46 B5R0.2 CCCNCC AMY13343 [1,0,0,0,0,0|1,0,2]=4 47 B5R0.2 CCO\C=C/Br AM806384 [1,0,0,0,0,0|2,0,1]=4 48 B5R0.2 CNCCCN AM20100546 [1,0,0,0,0,0|2,0,1]=4 49 B5R0.2 CNCCNC AM86300 [1,0,0,0,0,0|2,0,1]=4 50 B5R0.2 COCCC#N AMY40960 [1,0,0,0,0,0|2,0,1]=4 51 B5R0.2 COCCCBr AM20090592 [1,0,0,0,0,0|2,0,1]=4 52 B5R0.2 COCCCCl AMY25654 [1,0,0,0,0,0|2,0,1]=4 53 B5R0.2 COCCCN AMY21871 [1,0,0,0,0,0|2,0,1]=4 54 B5R0.2 COCCCN AMY38449 [1,0,0,0,0,0|2,0,1]=4 55 B5R0.2 COCCCO AM20080231 [1,0,0,0,0,0|2,0,1]=4 56 B5R0.2 COCCNN AM803665 [1,0,0,0,0,0|3,0,0]=4 57 B5R0.2 COCCNN AMY202003278 [1,0,0,0,0,0|3,0,0]=4 58 B5R0.2 COCCOC AMY25530 [1,0,0,0,0,0|2,0,1]=4 59 B5R0.2 COCCON AMY27642 [1,0,0,0,0,0|3,0,0]=4 60 B5R0.2 CSCCCCl AMY744 [1,0,0,0,0,0|2,0,1]=4 61 B5R0.2 ClCCCCI AMY2538 [1,0,0,0,0,0|2,0,1]=4 62 B5R0.2 N#CCCC=O AMY9205 [1,0,0,0,0,0|2,0,1]=4 63 B5R0.2 N#CCCCBr AMY10438 [1,0,0,0,0,0|2,0,1]=4 64 B5R0.2 N#CCCCCl AMY40893 [1,0,0,0,0,0|2,0,1]=4 65 B5R0.2 NCCCCCl AMY15236 [1,0,0,0,0,0|2,0,1]=4 66 B5R0.2 NCCCCN AM20090504 [1,0,0,0,0,0|2,0,1]=4 67 B5R0.2 NCCCCO AMY17788 [1,0,0,0,0,0|2,0,1]=4 68 B5R0.2 O=CCCC=O AMY18777 [1,0,0,0,0,0|2,0,1]=4 69 B5R0.3 C=CC(=O)CBr AMY31126 [1,0,0,0,0,0|1,0,2]=4 70 B5R0.3 C=CC(O)C=C AMY14244 [1,0,0,0,0,0|0,0,2]=3 71 B5R0.3 C=C[C@@H](O)CC AMY851 [1,0,0,0,0,0|0,0,0]=1 72 B5R0.3 C=C[C@H](N)CO AMY14650 [1,0,0,0,0,0|2,0,0]=3 73 B5R0.3 CCC(N)CC AMY4054 [1,0,0,0,0,0|1,0,2]=4 74 B5R0.3 CCN(O)CC AMY25658 [1,0,0,0,0,0|1,0,2]=4 75 B5R0.3 CC[C@@H](N)CO AM85835 [1,0,0,0,0,0|2,0,1]=4 76 B5R0.3 CC[C@@H](O)CN AMY6653 [1,0,0,0,0,0|1,0,1]=3 77 B5R0.3 CC[C@@H](O)CO AMY40578 [1,0,0,0,0,0|1,0,1]=3 78 B5R0.3 CC[C@H](Br)CBr AMY31902 [1,0,0,0,0,0|2,0,1]=4 79 B5R0.3 CC[C@H](C)CBr AMY28688 [1,0,0,0,0,0|2,0,1]=4 80 B5R0.3 CC[C@H](C)NN AM803011 [1,0,0,0,0,0|3,0,0]=4 81 B5R0.3 CC[C@H](C)NN AM9772 [1,0,0,0,0,0|3,0,0]=4 82 B5R0.3 CC[C@H](N)CO AM85834 [1,0,0,0,0,0|2,0,1]=4 83 B5R0.3 CC[C@H](N)CO AM85988 [1,0,0,0,0,0|2,0,1]=4 84 B5R0.3 CC[C@H](O)CO AMY40584 [1,0,0,0,0,0|1,0,1]=3 85 B5R0.3 NCC(O)CN AM20100500 [1,0,0,0,0,0|2,0,1]=4 86 B5R0.3 NC[C@H](O)CCl AMY31075 [1,0,0,0,0,0|2,0,1]=4 87 B5R0.3 NC[C@H](O)CO AM20100501 [1,0,0,0,0,0|2,0,1]=4 88 B5R0.3 NC[C@H](O)CO AM20100602 [1,0,0,0,0,0|2,0,1]=4 89 B5R0.3 NC[C@H](O)CO AMY18546 [1,0,0,0,0,0|2,0,1]=4 90 B5R0.3 OC[C@H](O)CCl AM81448 [1,0,0,0,0,0|2,0,1]=4 91 B5R0.3 OC[C@H](O)CCl AM81449 [1,0,0,0,0,0|2,0,1]=4 92 B5R0.3 OC[C@H](O)CCl AMY21866 [1,0,0,0,0,0|2,0,1]=4 93 B7R0.2 C=CC(=O)NC(C)C AM84785 [0,1,0,0,0,0|1,0,2]=4 94 B7R0.2 CC(C)C[C@H](N)C#N AMY32610 [0,1,0,0,0,0|2,0,1]=4 95 B7R0.2 CC(C)C[C@H](N)CO AM20100311 [0,1,0,0,0,0|2,0,1]=4 96 B7R0.2 CC(C)C[C@H](N)CO AM20100733 [0,1,0,0,0,0|2,0,1]=4 97 B7R0.2 CCC(C)CC(C)N AMY12579 [0,1,0,0,0,0|1,0,2]=4 98 B7R0.3 C=CC(=O)NCCC AMY39214 [0,1,0,0,0,0|0,0,2]=3 99 B7R0.3 C=CC(=O)NCCN AMY1138 [0,1,0,0,0,0|1,0,2]=4 100 B7R0.3 CCCC[C@H](N)CO AMY7200 [0,1,0,0,0,0|2,0,1]=4 101 B7R0.3 CCCC[C@H](O)CO AMY11157 [0,1,0,0,0,0|1,0,1]=3 102 B7R0.3 CCOC[C@@H](O)CO AMY318 [0,1,0,0,0,0|1,0,1]=3 103 B7R0.3 CSCC[C@H](N)C#N AMY32618 [0,1,0,0,0,0|2,0,1]=4 104 B7R0.3 C[C@H](CN)CCCN AMY37195 [0,1,0,0,0,0|2,0,1]=4 105 B7R0.3 OCCC[C@H](O)CO AMY202100026 [0,1,0,0,0,0|1,0,1]=3 106 B7R0.5 C=C(Br)C(=O)OCC AM85811 [0,1,0,0,0,0|1,0,2]=4 107 B7R0.5 CCCC(=O)C(=O)O AMY6081 [0,1,0,0,0,0|1,0,2]=4 108 B7R0.5 CCC[C@H](C)B(O)O AM80876 [0,1,0,0,0,0|3,0,0]=4 109 B7R0.5 CCC[C@H](N)C(=O)O AM20090147 [0,1,0,0,0,0|2,0,0]=3 110 B7R0.5 CCC[C@H](N)C(=O)O AM20100599 [0,1,0,0,0,0|2,0,0]=3 111 B7R0.5 CCC[C@H](N)C(=O)O AM20100742 [0,1,0,0,0,0|2,0,0]=3 112 B7R0.5 CCO[C@H](O)C(F)F AM803241 [0,1,0,0,0,0|2,0,1]=4 113 B7R0.5 CNC[C@H](N)C(=O)O AM86002 [0,1,0,0,0,0|3,0,0]=4 114 B7R0.5 CNC[C@H](N)C(=O)O AMY22064 [0,1,0,0,0,0|3,0,0]=4 115 B7R0.5 COC[C@@H](N)C(=O)O AMY25034 [0,1,0,0,0,0|3,0,0]=4 116 B7R0.5 COC[C@H](Cl)C(=O)O AMY11466 [0,1,0,0,0,0|3,0,0]=4 117 B7R0.5 COC[C@H](N)C(=O)O AM808146 [0,1,0,0,0,0|3,0,0]=4 118 B7R0.5 COC[C@H](N)C(=O)O AM808152 [0,1,0,0,0,0|3,0,0]=4 119 B7R0.5 COC[C@H](N)C(=O)O AM808173 [0,1,0,0,0,0|3,0,0]=4 120 B7R0.5 CSC[C@H](N)C(=O)O AM82581 [0,1,0,0,0,0|3,0,0]=4 121 B7R0.5 NCC[C@H](N)C(=O)O AM20090101 [0,1,0,0,0,0|3,0,0]=4 122 B7R0.5 NCC[C@H](N)C(=O)O AM20100596 [0,1,0,0,0,0|3,0,0]=4 123 B7R0.5 NCC[C@H](N)C(=O)O AM803354 [0,1,0,0,0,0|3,0,0]=4 124 B7R0.5 NCC[C@H](N)C(=O)O AM82466 [0,1,0,0,0,0|3,0,0]=4 125 B7R0.5 NCC[C@H](O)C(=O)O AM20100077 [0,1,0,0,0,0|2,0,0]=3 126 B7R0.5 N[C@@H](CCBr)C(=O)O AMY18828 [0,1,0,0,0,0|3,0,0]=4 127 B7R0.5 N[C@@H](CCBr)C(=O)O AMY4429 [0,1,0,0,0,0|3,0,0]=4 128 B7R0.5 N[C@@H](CCO)C(=O)O AM20100471 [0,1,0,0,0,0|3,0,0]=4 129 B7R0.5 N[C@@H](CCO)C(=O)O AM20100617 [0,1,0,0,0,0|3,0,0]=4 130 B7R0.5 N[C@@H](CCO)C(=O)O AM82563 [0,1,0,0,0,0|3,0,0]=4 131 B7R0.5 N[C@@H](CCS)C(=O)O AMY25680 [0,1,0,0,0,0|3,0,0]=4 132 B7R0.5 O=C(Cl)[C@@H](Br)CCBr AM20080598 [0,1,0,0,0,0|3,0,0]=4 133 B7R0.7 C=CCC(=O)OCC AMY30553 [0,1,0,0,0,0|1,0,2]=4 134 B7R0.7 C=CCC(O)CC=C AM85702 [0,1,0,0,0,0|0,0,2]=3 135 B7R0.7 CCCC(N)CCC AMY3864 [0,1,0,0,0,0|1,0,2]=4 136 B7R0.7 CCCC(O)CCC AMY23531 [0,1,0,0,0,0|0,0,2]=3 137 B7R0.7 CCC[C@H](N)CCO AM20100578 [0,1,0,0,0,0|1,0,2]=4 138 B7R0.7 CCOC(=O)\C=C/N AM87196 [0,1,0,0,0,0|1,0,2]=4 139 B7R0.7 CCOC(=O)\C=C\I AM805822 [0,1,0,0,0,0|1,0,2]=4 140 B7R0.7 CCOC(=O)\C=C\[O-] AMY34242 [0,1,0,0,0,0|1,0,2]=4 141 B7R0.7 COCC(O)COC AMY25050 [0,1,0,0,0,0|1,0,2]=4 142 B7R0.10 CC[C@@H](C)[C@@H](N)CO AM20090276 [0,1,0,0,0,0|2,0,1]=4 143 B7R0.10 OC[C@@H](O)[C@H](S)CS AMY39309 [0,1,0,0,0,0|2,0,1]=4 144 B7R0.10 OC[C@H](O)[C@H](O)CO AM83963 [0,1,0,0,0,0|2,0,1]=4 145 B7R0.11 CCCC(C)(C)CO AM20120588 [0,1,0,0,0,0|2,0,1]=4 146 B7R0.12 CCCC(CO)CO AMY36979 [0,1,0,0,0,0|1,0,1]=3 147 B7R0.12 CCN[C@@H](CC)CO AM807033 [0,1,0,0,0,0|1,0,2]=4 148 B7R0.12 CNCC(OC)OC AMY41272 [0,1,0,0,0,0|2,0,1]=4 149 B7R0.12 COC(CCBr)OC AMY19911 [0,1,0,0,0,0|2,0,1]=4 150 B7R0.12 COC(CCO)OC AMY38618 [0,1,0,0,0,0|2,0,1]=4 151 B7R0.12 COCC(OC)OC AM20080585 [0,1,0,0,0,0|2,0,1]=4 152 B7R1.1 BrCC1CCCC1 AMY6992 [0,0,0,1,0,0|2,0,1]=4 153 B7R1.1 BrCC1OCCO1 AMY39416 [0,0,0,1,0,0|2,0,1]=4 154 B7R1.1 BrC[C@H]1CCCN1 AM100802 [0,0,0,1,0,0|2,0,1]=4 155 B7R1.1 BrC[C@H]1CCCN1 AM102098 [0,0,0,1,0,0|2,0,1]=4 156 B7R1.1 BrC[C@H]1CCCN1 AM93871 [0,0,0,1,0,0|2,0,1]=4 157 B7R1.1 BrC[C@H]1CCCO1 AMY38018 [0,0,0,1,0,0|1,0,1]=3 158 B7R1.1 C=CC1=NCCO1 AMY10793 [0,0,0,1,0,0|1,0,1]=3 159 B7R1.1 C=CN1CCCC1 AM85776 [0,0,0,1,0,0|2,0,0]=3 160 B7R1.1 CC[C@@H]1CCCN1 AMY37667 [0,0,0,1,0,0|1,0,2]=4 161 B7R1.1 CC[C@H]1CCCN1 AMY37675 [0,0,0,1,0,0|1,0,2]=4 162 B7R1.1 CNC1CCCC1 AMY10584 [0,0,0,1,0,0|2,0,1]=4 163 B7R1.1 ClC[C@H]1CCCN1 AM100703 [0,0,0,1,0,0|2,0,1]=4 164 B7R1.1 ClC[C@H]1CCCN1 AM100886 [0,0,0,1,0,0|2,0,1]=4 165 B7R1.1 ClC[C@H]1CCCN1 AM100930 [0,0,0,1,0,0|2,0,1]=4 166 B7R1.1 FC[C@H]1CCCN1 AM20110257 [0,0,0,1,0,0|2,0,1]=4 167 B7R1.1 IC[C@H]1CCCN1 AM100991 [0,0,0,1,0,0|2,0,1]=4 168 B7R1.1 IC[C@H]1CCCN1 AM92918 [0,0,0,1,0,0|2,0,1]=4 169 B7R1.1 IC[C@H]1CCCN1 AM96723 [0,0,0,1,0,0|2,0,1]=4 170 B7R1.1 N#C[C@@H]1CCCN1 AMY14984 [0,0,0,1,0,0|2,0,1]=4 171 B7R1.1 N#C[C@@H]1CCCN1 AMY34394 [0,0,0,1,0,0|2,0,1]=4 172 B7R1.1 N#C[C@@H]1CCCN1 AMY35407 [0,0,0,1,0,0|2,0,1]=4 173 B7R1.1 N#C[C@@H]1CCCS1 AM806595 [0,0,0,1,0,0|1,1,1]=4 174 B7R1.1 NCC1CCCC1 AM20100430 [0,0,0,1,0,0|2,0,1]=4 175 B7R1.1 NCC1CCCC1 AM804123 [0,0,0,1,0,0|2,0,1]=4 176 B7R1.1 NC[C@H]1CCCN1 AM20100417 [0,0,0,1,0,0|2,0,1]=4 177 B7R1.1 NC[C@H]1CCCN1 AMY5139 [0,0,0,1,0,0|2,0,1]=4 178 B7R1.1 NC[C@H]1CCCO1 AM81808 [0,0,0,1,0,0|1,0,1]=3 179 B7R1.1 NC[C@H]1CCCO1 AM81809 [0,0,0,1,0,0|1,0,1]=3 180 B7R1.1 NNC1CCCC1 AM803574 [0,0,0,1,0,0|3,0,0]=4 181 B7R1.1 NOC1CCCC1 AMY27645 [0,0,0,1,0,0|3,0,0]=4 182 B7R1.1 O=CC1=CCCC1 AMY30885 [0,0,0,1,0,0|2,0,1]=4 183 B7R1.1 O=CC1CCCC1 AM83284 [0,0,0,1,0,0|2,0,0]=3 184 B7R1.1 O=CN1CCCC1 AMY24174 [0,0,0,1,0,0|3,0,0]=4 185 B7R1.1 O=C[C@@H]1CCCN1 AM101023 [0,0,0,1,0,0|2,0,0]=3 186 B7R1.1 O=C[C@@H]1CCCN1 AM95058 [0,0,0,1,0,0|2,0,0]=3 187 B7R1.1 O=C[C@@H]1CCCN1 AM95490 [0,0,0,1,0,0|2,0,0]=3 188 B7R1.1 O=C[C@@H]1CCCO1 AM85907 [0,0,0,1,0,0|1,0,0]=2 189 B7R1.1 O=C[C@H]1CCNC1 AM101346 [0,0,0,1,0,0|3,0,0]=4 190 B7R1.1 O=C[C@H]1CCNC1 AM94342 [0,0,0,1,0,0|3,0,0]=4 191 B7R1.1 O=C[C@H]1CCOC1 AMY5966 [0,0,0,1,0,0|3,0,0]=4 192 B7R1.1 OCC1CCCC1 AM20090579 [0,0,0,1,0,0|2,0,1]=4 193 B7R1.1 OCC1OCCO1 AMY35660 [0,0,0,1,0,0|2,0,1]=4 194 B7R1.1 OC[C@@H]1CCCO1 AMY19263 [0,0,0,1,0,0|1,0,1]=3 195 B7R1.1 OC[C@H]1CCCN1 AM20100639 [0,0,0,1,0,0|2,0,1]=4 196 B7R1.1 OC[C@H]1CCCN1 AM803960 [0,0,0,1,0,0|2,0,1]=4 197 B7R1.1 OC[C@H]1CCCN1 AM82208 [0,0,0,1,0,0|2,0,1]=4 198 B7R1.1 OC[C@H]1CCCO1 AM81815 [0,0,0,1,0,0|1,0,1]=3 199 B7R1.1 OC[C@H]1CCCO1 AMY19266 [0,0,0,1,0,0|1,0,1]=3 200 B7R1.2 CN1CC[C@@H](O)C1 AMY6896 [0,0,0,1,0,0|1,0,2]=4 201 B7R1.2 CN1CC[C@H](O)C1 AM20080233 [0,0,0,1,0,0|1,0,2]=4 202 B7R1.2 CN1CC[C@H](O)C1 AMY30559 [0,0,0,1,0,0|1,0,2]=4 203 B7R1.2 C[C@@H]1C[C@H](O)CN1 AMY19216 [0,0,0,1,0,0|1,0,1]=3 204 B7R1.2 C[C@H]1C[C@@H](N)CN1 AMY19213 [0,0,0,1,0,0|2,0,1]=4 205 B7R1.2 C[C@H]1C[C@@H](O)CN1 AMY19265 [0,0,0,1,0,0|1,0,1]=3 206 B7R1.2 C[C@H]1C[C@H](N)CN1 AMY19217 [0,0,0,1,0,0|2,0,1]=4 207 B7R1.2 C[C@H]1C[C@H](O)CN1 AMY19218 [0,0,0,1,0,0|1,0,1]=3 208 B7R1.2 NC1CCC(O)C1 AMY19619 [0,0,0,1,0,0|1,0,2]=4 209 B7R1.2 N[C@@H]1CC[C@@H](O)C1 AMY19602 [0,0,0,1,0,0|1,0,2]=4 210 B7R1.2 N[C@@H]1CC[C@H](O)C1 AM802861 [0,0,0,1,0,0|1,0,2]=4 211 B7R1.2 N[C@H]1CC[C@@H](O)C1 AMY12396 [0,0,0,1,0,0|1,0,2]=4 212 B7R1.2 N[C@H]1CC[C@@H](O)C1 AMY12405 [0,0,0,1,0,0|1,0,2]=4 213 B7R1.2 N[C@H]1CC[C@H](O)C1 AM804591 [0,0,0,1,0,0|1,0,2]=4 214 B7R1.2 N[C@H]1CC[C@H](O)C1 AMY19540 [0,0,0,1,0,0|1,0,2]=4 215 B7R1.2 O=C1C=C[C@@H](O)C1 AMY1807 [0,0,0,1,0,0|1,0,1]=3 216 B7R1.2 OC1CCC(O)C1 AMY33501 [0,0,0,1,0,0|1,0,2]=4 217 B7R1.3 BrC1=CCCCC1 AMY38285 [0,0,0,1,0,0|1,0,2]=4 218 B7R1.3 Br[C@@H]1C=CCCC1 AM20080711 [0,0,0,1,0,0|1,0,0]=2 219 B7R1.3 Br[C@H]1CCCNC1 AM100929 [0,0,0,1,0,0|2,0,1]=4 220 B7R1.3 Br[C@H]1CCCNC1 AM90468 [0,0,0,1,0,0|2,0,1]=4 221 B7R1.3 Br[C@H]1CCCOC1 AM20080215 [0,0,0,1,0,0|2,0,1]=4 222 B7R1.3 CC1=COCCC1 AMY6007 [0,0,0,1,0,0|2,0,1]=4 223 B7R1.3 C[C@H]1C=CCCO1 AMY6012 [0,0,0,1,0,0|2,0,0]=3 224 B7R1.3 C[C@H]1CCCCN1 AM20080042 [0,0,0,1,0,0|2,0,1]=4 225 B7R1.3 C[C@H]1CCCCN1 AM81342 [0,0,0,1,0,0|2,0,1]=4 226 B7R1.3 C[C@H]1CCCNC1 AM86032 [0,0,0,1,0,0|2,0,1]=4 227 B7R1.3 C[C@H]1CCCNC1 AM86033 [0,0,0,1,0,0|2,0,1]=4 228 B7R1.3 C[C@H]1CCCNC1 AMY5569 [0,0,0,1,0,0|2,0,1]=4 229 B7R1.3 ClC1=CCCCC1 AM85974 [0,0,0,1,0,0|1,0,2]=4 230 B7R1.3 ClC1CCCCC1 AM90219 [0,0,0,1,0,0|1,0,2]=4 231 B7R1.3 Cl[C@@H]1CC=CCC1 AMY13656 [0,0,0,1,0,0|1,0,2]=4 232 B7R1.3 Cl[C@H]1CCCNC1 AM100260 [0,0,0,1,0,0|2,0,1]=4 233 B7R1.3 Cl[C@H]1CCCNC1 AM100889 [0,0,0,1,0,0|2,0,1]=4 234 B7R1.3 Cl[C@H]1CCCNC1 AM95167 [0,0,0,1,0,0|2,0,1]=4 235 B7R1.3 Cl[C@H]1CCCNC1 AM96799 [0,0,0,1,0,0|2,0,1]=4 236 B7R1.3 F[C@H]1CCCNC1 AM20080116 [0,0,0,1,0,0|2,0,1]=4 237 B7R1.3 NC1CCCCC1 AM802905 [0,0,0,1,0,0|1,0,2]=4 238 B7R1.3 N[C@@H]1CCCNC1 AMY258 [0,0,0,1,0,0|2,0,1]=4 239 B7R1.3 N[C@H]1CCCNC1 AM20090507 [0,0,0,1,0,0|2,0,1]=4 240 B7R1.3 N[C@H]1CCCNC1 AM20090508 [0,0,0,1,0,0|2,0,1]=4 241 B7R1.3 N[C@H]1CCCNC1 AM81346 [0,0,0,1,0,0|2,0,1]=4 242 B7R1.3 N[C@H]1CCCNC1 AMY19293 [0,0,0,1,0,0|2,0,1]=4 243 B7R1.3 N[C@H]1CCCOC1 AM20080156 [0,0,0,1,0,0|2,0,1]=4 244 B7R1.3 N[C@H]1CCCOC1 AM20120527 [0,0,0,1,0,0|2,0,1]=4 245 B7R1.3 N[C@H]1CCCOC1 AMY34426 [0,0,0,1,0,0|2,0,1]=4 246 B7R1.3 N[C@H]1CCCOC1 AMY41756 [0,0,0,1,0,0|2,0,1]=4 247 B7R1.3 N[C@H]1CCCOC1 AMY5963 [0,0,0,1,0,0|2,0,1]=4 248 B7R1.3 O=C1C=CCCN1 AMY9701 [0,0,0,1,0,0|1,0,2]=4 249 B7R1.3 O=C1C=CCOC1 AMY23659 [0,0,0,1,0,0|1,0,2]=4 250 B7R1.3 OC1CCNCC1 AM20100322 [0,0,0,1,0,0|1,0,2]=4 251 B7R1.3 OC1CCNCC1 AMY24233 [0,0,0,1,0,0|1,0,2]=4 252 B7R1.3 OC1CCOCC1 AM20090170 [0,0,0,1,0,0|1,0,2]=4 253 B7R1.3 OC1CCSCC1 AMY37357 [0,0,0,1,0,0|1,0,2]=4 254 B7R1.3 O[C@@H]1C=CCCC1 AMY31935 [0,0,0,1,0,0|0,0,0]=1 255 B7R1.3 O[C@@H]1CCCOC1 AMY41582 [0,0,0,1,0,0|1,0,1]=3 256 B7R1.3 O[C@@H]1CNCCO1 AMY36691 [0,0,0,1,0,0|2,0,1]=4 257 B7R1.3 O[C@H]1CCCNC1 AM101043 [0,0,0,1,0,0|1,0,1]=3 258 B7R1.3 O[C@H]1CCCNC1 AM20090141 [0,0,0,1,0,0|1,0,1]=3 259 B7R1.3 O[C@H]1CCCNC1 AM20100189 [0,0,0,1,0,0|1,0,1]=3 260 B7R1.3 O[C@H]1CCCNC1 AM20100577 [0,0,0,1,0,0|1,0,1]=3 261 B7R1.3 O[C@H]1CCCNC1 AM20100636 [0,0,0,1,0,0|1,0,1]=3 262 B7R1.3 O[C@H]1CCCOC1 AM20090136 [0,0,0,1,0,0|1,0,1]=3 263 B7R1.3 SC1CCCCC1 AMY11243 [0,0,0,1,0,0|0,1,2]=4 264 B7R1.3 S[C@H]1CCCNC1 AMY35402 [0,0,0,1,0,0|1,1,1]=4 265 B7R1.4 C=C1CCOC1=O AMY7315 [0,0,0,1,0,0|1,0,2]=4 266 B7R1.4 CC1CNCC1O AM806548 [0,0,0,1,0,0|1,0,2]=4 267 B7R1.4 CN1CCCC1=O AM20110252 [0,0,0,1,0,0|3,0,0]=4 268 B7R1.4 C[C@@H]1SCCC1=O AMY23233 [0,0,0,1,0,0|3,0,0]=4 269 B7R1.4 C[C@H]1CCCC1=O AM84338 [0,0,0,1,0,0|2,0,0]=3 270 B7R1.4 C[C@H]1CCOC1=O AM20090007 [0,0,0,1,0,0|3,0,0]=4 271 B7R1.4 NC1CCCC1N AMY40491 [0,0,0,1,0,0|2,0,1]=4 272 B7R1.4 NC1CCCC1O AMY1026 [0,0,0,1,0,0|1,0,1]=3 273 B7R1.4 NC1COCC1O AM803216 [0,0,0,1,0,0|2,0,1]=4 274 B7R1.4 NN1CCCC1=O AM84704 [0,0,0,1,0,0|3,0,0]=4 275 B7R1.4 N[C@@H]1CCC[C@@H]1O AMY34344 [0,0,0,1,0,0|1,0,1]=3 276 B7R1.4 N[C@@H]1CCC[C@H]1O AM84914 [0,0,0,1,0,0|1,0,1]=3 277 B7R1.4 N[C@@H]1CCOC1=O AMY22572 [0,0,0,1,0,0|3,0,0]=4 278 B7R1.4 N[C@@H]1COC[C@H]1O AMY34430 [0,0,0,1,0,0|2,0,1]=4 279 B7R1.4 N[C@H]1CCC[C@@H]1O AMY931 [0,0,0,1,0,0|1,0,1]=3 280 B7R1.4 N[C@H]1CCC[C@H]1N AMY35199 [0,0,0,1,0,0|2,0,1]=4 281 B7R1.4 N[C@H]1CCC[C@H]1O AMY34327 [0,0,0,1,0,0|1,0,1]=3 282 B7R1.4 N[C@H]1CCNC1=O AM20130022 [0,0,0,1,0,0|3,0,0]=4 283 B7R1.4 N[C@H]1CCNC1=O AMY15667 [0,0,0,1,0,0|3,0,0]=4 284 B7R1.4 N[C@H]1CCOC1=O AM20090203 [0,0,0,1,0,0|3,0,0]=4 285 B7R1.4 N[C@H]1CCOC1=O AMY21622 [0,0,0,1,0,0|3,0,0]=4 286 B7R1.4 N[C@H]1CCSC1=O AMY25724 [0,0,0,1,0,0|3,0,0]=4 287 B7R1.4 N[C@H]1COC[C@@H]1O AMY34415 [0,0,0,1,0,0|2,0,1]=4 288 B7R1.4 O=C1CCCC1=O AMY23435 [0,0,0,1,0,0|1,0,2]=4 289 B7R1.4 O=C1CCC[C@@H]1Br AM20090204 [0,0,0,1,0,0|2,0,0]=3 290 B7R1.4 O=C1NCC[C@@H]1O AM20080386 [0,0,0,1,0,0|2,0,0]=3 291 B7R1.4 O=C1NCC[C@@H]1O AM20090532 [0,0,0,1,0,0|2,0,0]=3 292 B7R1.4 O=C1NCC[C@H]1O AMY14450 [0,0,0,1,0,0|2,0,0]=3 293 B7R1.4 O=C1OCC[C@@H]1Br AM20100243 [0,0,0,1,0,0|3,0,0]=4 294 B7R1.4 O[C@@H]1CCC[C@H]1O AMY19937 [0,0,0,1,0,0|1,0,1]=3 295 B7R1.4 O[C@H]1CNC[C@@H]1F AMY34432 [0,0,0,1,0,0|2,0,1]=4 296 B7R1.4 O[C@H]1CNC[C@@H]1O AMY19214 [0,0,0,1,0,0|2,0,1]=4 297 B7R1.4 O[C@H]1CNC[C@@H]1O AMY6780 [0,0,0,1,0,0|2,0,1]=4 298 B7R1.4 O[C@H]1CNC[C@H]1F AMY35198 [0,0,0,1,0,0|2,0,1]=4 299 B7R1.4 O[C@H]1CNC[C@H]1O AMY16905 [0,0,0,1,0,0|2,0,1]=4 300 B7R1.4 O[C@H]1COC[C@H]1O AMY16786 [0,0,0,1,0,0|2,0,1]=4 301 B7R1.10 CC1CC(CN)C1 AM806550 [0,0,0,1,0,0|2,0,1]=4 302 B7R1.10 O=CC1CC(F)C1 AM85365 [0,0,0,1,0,0|3,0,0]=4 303 B7R1.22 N[C@@H](CO)C1CC1 AM9186 [0,0,0,1,0,0|2,0,1]=4 304 B7R1.22 O=CC(=O)C1CC1 AM87069 [0,0,0,1,0,0|1,0,2]=4 305 B7R1.25 CC1(C=O)COC1 AM20020058 [0,0,0,1,0,0|3,0,0]=4 306 B7R1.25 CCC1(O)CNC1 AM807070 [0,0,0,1,0,0|1,0,2]=4 307 B7R1.25 N#CC1(N)CCC1 AM804260 [0,0,0,1,0,0|2,0,1]=4 308 B7R1.25 N#CC1(N)CCC1 AMY19236 [0,0,0,1,0,0|2,0,1]=4 309 B7R1.25 NCC1(F)CCC1 AMY34316 [0,0,0,1,0,0|2,0,1]=4 310 B7R1.25 NCC1(N)CCC1 AMY6115 [0,0,0,1,0,0|2,0,1]=4 311 B7R1.25 NCC1(O)CCC1 AMY34521 [0,0,0,1,0,0|1,0,1]=3 312 B4R0.1 C#C[C@@H](C)O AMY24232 [2,0,0,0,0,0|0,0,2]=4 313 B4R0.1 C#C[C@H](C)O AMY34392 [2,0,0,0,0,0|0,0,2]=4 314 B4R0.1 C=CC(=C)C AMY37001 [2,0,0,0,0,0|1,0,1]=4 315 B4R0.1 C=C[C@H](C)Cl AMY617 [2,0,0,0,0,0|1,0,0]=3 316 B4R0.1 C=C[C@H](C)O AMY1257 [2,0,0,0,0,0|0,0,0]=2 317 B4R0.1 CCB(O)O AM80871 [2,0,0,0,0,0|2,0,0]=4 318 B4R0.1 CCC(=O)O AMY4114 [2,0,0,0,0,0|1,0,1]=4 319 B4R0.1 CCC(C)[O-] AMY22246 [2,0,0,0,0,0|0,0,2]=4 320 B4R0.1 CC[C@H](C)O AMY11001 [2,0,0,0,0,0|0,0,1]=3 321 B4R0.1 C[C@H](O)CN AM20090353 [2,0,0,0,0,0|1,0,1]=4 322 B4R0.1 C[C@H](O)CN AM20100779 [2,0,0,0,0,0|1,0,1]=4 323 B4R0.1 C[C@H](O)CN AM81450 [2,0,0,0,0,0|1,0,1]=4 324 B4R0.1 [Li][C@@H](C)CC AMY14890 [2,0,0,0,0,0|1,0,1]=4 325 B4R0.2 BrCCCBr AMY25527 [2,0,0,0,0,0|2,0,0]=4 326 B4R0.2 C=CCCCl AMY11185 [2,0,0,0,0,0|1,0,0]=3 327 B4R0.2 C=CCCO AMY14291 [2,0,0,0,0,0|1,0,0]=3 328 B4R0.2 C=CCNC AMY13350 [2,0,0,0,0,0|1,0,0]=3 329 B4R0.2 C=CCNN AM806419 [2,0,0,0,0,0|2,0,0]=4 330 B4R0.2 C=CCOC AM20100534 [2,0,0,0,0,0|1,0,0]=3 331 B4R0.2 C=CCON AM90375 [2,0,0,0,0,0|2,0,0]=4 332 B4R0.2 CC#CCO AMY19259 [2,0,0,0,0,0|0,0,2]=4 333 B4R0.2 CCCCN AMY21914 [2,0,0,0,0,0|1,0,0]=3 334 B4R0.2 CCCNN AM9771 [2,0,0,0,0,0|2,0,0]=4 335 B4R0.2 CCNCC AMY25752 [2,0,0,0,0,0|1,0,1]=4 336 B4R0.2 CCPCC AMY11725 [2,0,0,0,0,0|1,0,1]=4 337 B4R0.2 CC\C=C\Br AMY796 [2,0,0,0,0,0|1,0,1]=4 338 B4R0.2 CNCCCl AM803928 [2,0,0,0,0,0|2,0,0]=4 339 B4R0.2 CNCCF AMY202003232 [2,0,0,0,0,0|2,0,0]=4 340 B4R0.2 CNCCO AMY32697 [2,0,0,0,0,0|1,0,0]=3 341 B4R0.2 COCCCl AMY25739 [2,0,0,0,0,0|2,0,0]=4 342 B4R0.2 COCCN AM808206 [2,0,0,0,0,0|2,0,0]=4 343 B4R0.2 CSCCCl AMY15533 [2,0,0,0,0,0|2,0,0]=4 344 B4R0.2 CSCCN AMY33509 [2,0,0,0,0,0|2,0,0]=4 345 B4R0.2 CSCCO AMY19250 [2,0,0,0,0,0|1,0,0]=3 346 B4R0.2 C\C=C\CO AMY21936 [2,0,0,0,0,0|0,0,2]=4 347 B4R0.2 ClCCCBr AMY40180 [2,0,0,0,0,0|2,0,0]=4 348 B4R0.2 ClCCCCl AMY22013 [2,0,0,0,0,0|2,0,0]=4 349 B4R0.2 ClCCCI AMY25762 [2,0,0,0,0,0|2,0,0]=4 350 B4R0.2 FCCCBr AMY28674 [2,0,0,0,0,0|2,0,0]=4 351 B4R0.2 NCCCBr AM20100225 [2,0,0,0,0,0|2,0,0]=4 352 B4R0.2 NCCCN AMY21886 [2,0,0,0,0,0|2,0,0]=4 353 B4R0.2 NNCCO AM20080045 [2,0,0,0,0,0|2,0,0]=4 354 B4R0.2 OCCCBr AM20100533 [2,0,0,0,0,0|1,0,0]=3 355 B4R0.2 OCCCCl AMY9478 [2,0,0,0,0,0|1,0,0]=3 356 B4R0.2 OCCCF AM1014 [2,0,0,0,0,0|1,0,0]=3 357 B4R0.2 SCCCBr AM806637 [2,0,0,0,0,0|1,1,0]=4 358 B4R0.2 [Li]CCCC AMY14790 [2,0,0,0,0,0|1,0,0]=3 359 B6R0.2 CC(C)CB(O)O AM80872 [1,1,0,0,0,0|2,0,0]=4 360 B6R0.2 CC(C)CC(=O)O AMY40214 [1,1,0,0,0,0|1,0,1]=4 361 B6R0.2 CC(C)C[C@H](C)N AMY36830 [1,1,0,0,0,0|1,0,1]=4 362 B6R0.2 C[C@@H](O)CC(=O)O AMY24176 [1,1,0,0,0,0|1,0,1]=4 363 B6R0.2 C[C@@H](O)CN(C)C AMY16641 [1,1,0,0,0,0|1,0,1]=4 364 B6R0.2 C[C@H](N)CC(=O)O AM20100008 [1,1,0,0,0,0|1,0,1]=4 365 B6R0.2 C[C@H](N)CC(=O)O AM20100009 [1,1,0,0,0,0|1,0,1]=4 366 B6R0.2 C[C@H](N)CC(=O)O AM20100428 [1,1,0,0,0,0|1,0,1]=4 367 B6R0.2 C[C@H](N)CC(=O)O AM804090 [1,1,0,0,0,0|1,0,1]=4 368 B6R0.2 C[C@H](O)CC(=O)O AMY10050 [1,1,0,0,0,0|1,0,1]=4 369 B6R0.2 C[C@H](O)CC(=O)O AMY24175 [1,1,0,0,0,0|1,0,1]=4 370 B6R0.2 C[C@H](O)CN(C)C AMY13331 [1,1,0,0,0,0|1,0,1]=4 371 B6R0.3 CC[C@@H](Br)C(=O)O AMY2458 [1,1,0,0,0,0|1,0,1]=4 372 B6R0.3 CC[C@H](Br)C(=O)O AM81433 [1,1,0,0,0,0|1,0,1]=4 373 B6R0.3 CC[C@H](C)B(O)O AM85121 [1,1,0,0,0,0|2,0,0]=4 374 B6R0.3 CC[C@H](C)C(=O)O AM802977 [1,1,0,0,0,0|1,0,1]=4 375 B6R0.3 CC[C@H](N)C(=O)O AM20080375 [1,1,0,0,0,0|1,0,1]=4 376 B6R0.3 CC[C@H](N)C(=O)O AM20090323 [1,1,0,0,0,0|1,0,1]=4 377 B6R0.3 CC[C@H](N)C(=O)O AM20090360 [1,1,0,0,0,0|1,0,1]=4 378 B6R0.3 CC[C@H](S)C(=O)O AMY2446 [1,1,0,0,0,0|1,0,1]=4 379 B6R0.3 C[C@@H](O)[C@H](N)CO AMY22530 [1,1,0,0,0,0|1,0,1]=4 380 B6R0.4 CC(C)CCCO AMY39142 [1,1,0,0,0,0|1,0,1]=4 381 B6R0.4 CCOCC(=O)O AMY4062 [1,1,0,0,0,0|1,0,1]=4 382 B6R0.4 CCOCC(Br)Br AMY830 [1,1,0,0,0,0|2,0,0]=4 383 B6R0.4 CCSCC(=O)O AM20100532 [1,1,0,0,0,0|1,0,1]=4 384 B6R0.4 CNCCC(=O)O AM84855 [1,1,0,0,0,0|1,0,1]=4 385 B6R0.4 CNCCC(C)C AMY37348 [1,1,0,0,0,0|1,0,1]=4 386 B6R0.4 CNCCC(C)C AMY37370 [1,1,0,0,0,0|1,0,1]=4 387 B6R0.4 COCCC(=O)O AMY2689 [1,1,0,0,0,0|1,0,1]=4 388 B6R0.4 C[C@H](Br)CCCBr AMY2526 [1,1,0,0,0,0|1,0,1]=4 389 B6R0.4 NCCCC(=O)O AM20100372 [1,1,0,0,0,0|1,0,1]=4 390 B6R0.4 O=C(O)CCCS AM20080221 [1,1,0,0,0,0|1,0,1]=4 391 B6R0.5 CC(C)(O)CCN AMY42489 [1,1,0,0,0,0|1,0,1]=4 392 B6R0.5 CNCC(C)(C)O AM807013 [1,1,0,0,0,0|1,0,1]=4 393 B6R0.5 COCC(C)(C)O AMY9274 [1,1,0,0,0,0|1,0,1]=4 394 B6R0.6 BrCCCCCBr AMY11214 [1,1,0,0,0,0|1,0,1]=4 395 B6R0.6 C=CCCCCBr AM84859 [1,1,0,0,0,0|0,0,0]=2 396 B6R0.6 C=CCCCCO AM20100796 [1,1,0,0,0,0|0,0,0]=2 397 B6R0.6 C=CCNCC=C AMY22157 [1,1,0,0,0,0|0,0,2]=4 398 B6R0.6 C=CCNCC=C AMY25549 [1,1,0,0,0,0|0,0,2]=4 399 B6R0.6 C=COCCCN AMY3063 [1,1,0,0,0,0|1,0,0]=3 400 B6R0.6 C=COCCON AMY3312 [1,1,0,0,0,0|2,0,0]=4 401 B6R0.6 CCCCCCC AMY22304 [1,1,0,0,0,0|0,0,2]=4 402 B6R0.6 CCCCCCN AMY21942 [1,1,0,0,0,0|0,0,2]=4 403 B6R0.6 CCCCNCC AMY3985 [1,1,0,0,0,0|0,0,2]=4 404 B6R0.6 CCCCON=O AMY4016 [1,1,0,0,0,0|2,0,0]=4 405 B6R0.6 CCOCCC#N AMY40959 [1,1,0,0,0,0|1,0,1]=4 406 B6R0.6 CCOCCCN AMY21920 [1,1,0,0,0,0|1,0,1]=4 407 B6R0.6 CCOCCCO AM20080058 [1,1,0,0,0,0|1,0,1]=4 408 B6R0.6 COCCCCBr AMY9376 [1,1,0,0,0,0|1,0,1]=4 409 B6R0.6 COCCCCO AM20080057 [1,1,0,0,0,0|1,0,1]=4 410 B6R0.6 C\C=C\CCCO AMY2616 [1,1,0,0,0,0|1,0,0]=3 411 B6R0.6 FCCCCCBr AM20100088 [1,1,0,0,0,0|1,0,1]=4 412 B6R0.6 N#CCCCCCl AM20100537 [1,1,0,0,0,0|1,0,1]=4 413 B6R0.6 NCCCCCN AM61576 [1,1,0,0,0,0|1,0,1]=4 414 B6R0.6 O=CCCCC=O AMY3308 [1,1,0,0,0,0|1,0,1]=4 415 B6R0.6 O=CCCCCCl AMY772 [1,1,0,0,0,0|1,0,0]=3 416 B6R0.6 OCCCCCBr AM20090543 [1,1,0,0,0,0|1,0,1]=4 417 B6R0.8 C#C[C@@](C)(O)CC AMY4108 [1,1,0,0,0,0|0,0,2]=4 418 B6R0.8 C=CS(=O)(=O)CC AMY31560 [1,1,0,0,0,0|1,0,1]=4 419 B6R0.8 CCC(Br)(Br)C=O AMY2945 [1,1,0,0,0,0|2,0,0]=4 420 B6R0.8 CC[C@](C)(O)CN AMY24170 [1,1,0,0,0,0|1,0,1]=4 421 B6R0.9 C=C[C@@H](CC)CO AMY36984 [1,1,0,0,0,0|0,0,0]=2 422 B6R0.9 CCC(CO)CO AM10034 [1,1,0,0,0,0|1,0,1]=4 423 B8R0.2 CCC(C)C(Br)C(=O)O AMY25125 [0,2,0,0,0,0|2,0,0]=4 424 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O AM81860 [0,2,0,0,0,0|2,0,0]=4 425 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O AM81861 [0,2,0,0,0,0|2,0,0]=4 426 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O AM81840 [0,2,0,0,0,0|2,0,0]=4 427 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O AM81842 [0,2,0,0,0,0|2,0,0]=4 428 B8R0.2 C[C@H](O)[C@H](O)[C@H](O)C=O AMY18687 [0,2,0,0,0,0|1,0,0]=3 429 B8R0.2 O=C([O-])[C@@H](O)[C@H](O)CO AM83965 [0,2,0,0,0,0|2,0,0]=4 430 B8R0.2 O=C([O-])[C@H](O)[C@@H](O)CO AMY32635 [0,2,0,0,0,0|2,0,0]=4 431 B8R0.16 COC(C[C@H](C)O)OC AMY38802 [0,2,0,0,0,0|1,0,1]=4 432 B8R0.23 CC(C)C[C@H](N)C(=O)O AM20090485 [0,2,0,0,0,0|2,0,0]=4 433 B8R0.23 CC(C)C[C@H](N)C(=O)O AM81870 [0,2,0,0,0,0|2,0,0]=4 434 B8R0.23 CC(C)C[C@H](N)C(=O)O AM81871 [0,2,0,0,0,0|2,0,0]=4 435 B8R0.23 CC(C)C[C@H](N)C(=O)O AMY22186 [0,2,0,0,0,0|2,0,0]=4 436 B8R0.23 CC(C)C[C@H](N)C(N)=O AM81895 [0,2,0,0,0,0|2,0,0]=4 437 B8R0.23 CC(C)C[C@H](O)C(=O)O AMY22161 [0,2,0,0,0,0|1,0,0]=3 438 B8R0.3 CCC[C@H](N)C(=O)OC AM82602 [0,2,0,0,0,0|1,0,1]=4 439 B8R0.3 O=CC[C@@H](O)[C@@H](O)CO AM20100306 [0,2,0,0,0,0|1,0,1]=4 440 B8R0.3 O=CC[C@@H](O)[C@@H](O)CO AM83958 [0,2,0,0,0,0|1,0,1]=4 441 B8R0.6 C#C[C@@H](O)CCCCC AMY17779 [0,2,0,0,0,0|0,0,2]=4 442 B8R0.6 C#C[C@@H](O)CCCCC AMY20014 [0,2,0,0,0,0|0,0,2]=4 443 B8R0.6 CCCCC[C@@H](O)CC AMY12157 [0,2,0,0,0,0|0,0,2]=4 444 B8R0.8 CCCC[C@H](N)C(=O)O AM82583 [0,2,0,0,0,0|2,0,0]=4 445 B8R0.8 CCCC[C@H](N)C(=O)O AM82584 [0,2,0,0,0,0|2,0,0]=4 446 B8R0.8 CCCC[C@H](N)C(=O)O AM82585 [0,2,0,0,0,0|2,0,0]=4 447 B8R0.8 CSCC[C@H](N)C(=O)O AM20100433 [0,2,0,0,0,0|2,0,0]=4 448 B8R0.8 CSCC[C@H](N)C(=O)O AM20100552 [0,2,0,0,0,0|2,0,0]=4 449 B8R0.8 CSCC[C@H](N)C(=O)O AM81977 [0,2,0,0,0,0|2,0,0]=4 450 B8R0.8 C[Se]CC[C@H](N)C(=O)O AMY18854 [0,2,0,0,0,0|2,0,0]=4 451 B8R0.8 NCCC[C@H](N)C(=O)O AM20080016 [0,2,0,0,0,0|2,0,0]=4 452 B8R0.8 NCCC[C@H](N)C(=O)O AM20090455 [0,2,0,0,0,0|2,0,0]=4 453 B8R0.8 NCCC[C@H](N)C(=O)O AM82603 [0,2,0,0,0,0|2,0,0]=4 454 B8R0.9 C=C[C@@H](N)CCC(=O)O AMY6474 [0,2,0,0,0,0|1,0,1]=4 455 B8R0.11 CCCCC(CO)CO AMY15528 [0,2,0,0,0,0|1,0,1]=4 456 B8R0.11 CCCC[C@H](CC)CO AMY11009 [0,2,0,0,0,0|0,0,2]=4 457 B8R0.11 COC(CCCCl)OC AMY10392 [0,2,0,0,0,0|1,0,1]=4 458 B8R0.11 COC(CCCN)OC AMY18845 [0,2,0,0,0,0|1,0,1]=4 459 B8R0.15 CCC[C@H](NC)C(=O)O AM9227 [0,2,0,0,0,0|1,0,1]=4 460 B8R0.22 CCC[C@@H](CC=O)SC AMY39512 [0,2,0,0,0,0|0,1,1]=4 461 B6R1.2 BrC1=CCCC1 AMY38286 [1,0,0,1,0,0|1,0,1]=4 462 B6R1.2 BrC1CCCC1 AM20080273 [1,0,0,1,0,0|1,0,1]=4 463 B6R1.2 CC1=CCCC1 AMY6023 [1,0,0,1,0,0|1,0,1]=4 464 B6R1.2 CC1CCCC1 AMY21930 [1,0,0,1,0,0|1,0,1]=4 465 B6R1.2 C[C@H]1CCCN1 AM20080260 [1,0,0,1,0,0|1,0,1]=4 466 B6R1.2 C[C@H]1CCCN1 AM20090040 [1,0,0,1,0,0|1,0,1]=4 467 B6R1.2 C[C@H]1CCCN1 AM20100102 [1,0,0,1,0,0|1,0,1]=4 468 B6R1.2 C[C@H]1CCCN1 AM20100445 [1,0,0,1,0,0|1,0,1]=4 469 B6R1.2 C[C@H]1CCCN1 AM20100751 [1,0,0,1,0,0|1,0,1]=4 470 B6R1.2 C[C@H]1CCCO1 AM81816 [1,0,0,1,0,0|0,0,1]=3 471 B6R1.2 ClC1CCCC1 AMY22306 [1,0,0,1,0,0|1,0,1]=4 472 B6R1.2 IC1CCCC1 AMY3844 [1,0,0,1,0,0|1,0,1]=4 473 B6R1.2 NC1CCCC1 AMY3757 [1,0,0,1,0,0|1,0,1]=4 474 B6R1.2 N[C@@H]1CCCN1 AMY9118 [1,0,0,1,0,0|2,0,0]=4 475 B6R1.2 OC1CCCC1 AMY3616 [1,0,0,1,0,0|0,0,1]=3 476 B6R1.2 O[C@@H]1CCCO1 AMY20193 [1,0,0,1,0,0|1,0,0]=3 477 B6R1.2 O[C@@H]1CCNO1 AMY37646 [1,0,0,1,0,0|2,0,0]=4 478 B6R1.2 O[C@H]1CCNC1 AM20070695 [1,0,0,1,0,0|1,0,1]=4 479 B6R1.2 O[C@H]1CCNC1 AM20080166 [1,0,0,1,0,0|1,0,1]=4 480 B6R1.2 O[C@H]1CCNC1 AM20090354 [1,0,0,1,0,0|1,0,1]=4 481 B6R1.2 O[C@H]1CCNC1 AM20100082 [1,0,0,1,0,0|1,0,1]=4 482 B6R1.2 O[C@H]1CCNC1 AM90404 [1,0,0,1,0,0|1,0,1]=4 483 B6R1.2 O[C@H]1CCNO1 AMY37647 [1,0,0,1,0,0|2,0,0]=4 484 B6R1.2 O[C@H]1CCOC1 AM20100156 [1,0,0,1,0,0|1,0,1]=4 485 B6R1.2 O[C@H]1CCOC1 AM20110236 [1,0,0,1,0,0|1,0,1]=4 486 B6R1.2 O[C@H]1CCOC1 AM20110237 [1,0,0,1,0,0|1,0,1]=4 487 B6R1.2 O[C@H]1CCSC1 AM20090505 [1,0,0,1,0,0|1,0,1]=4 488 B6R1.3 BrCC[C@H]1CO1 AMY20094 [1,0,0,1,0,0|1,0,1]=4 489 B6R1.3 COC[C@H]1CO1 AM20120337 [1,0,0,1,0,0|1,0,1]=4 490 B6R1.5 CN1CC(O)C1 AM802928 [1,0,0,1,0,0|1,0,1]=4 491 B6R1.5 CN1CC(O)C1 AMY9067 [1,0,0,1,0,0|1,0,1]=4 492 B6R1.5 NC1CC(O)C1 AM20070560 [1,0,0,1,0,0|1,0,1]=4 493 B6R1.5 NC1CC(O)C1 AM20070615 [1,0,0,1,0,0|1,0,1]=4 494 B6R1.5 N[C@H]1C[C@@H](O)C1 AM807002 [1,0,0,1,0,0|1,0,1]=4 495 B6R1.5 N[C@H]1C[C@H](O)C1 AM807001 [1,0,0,1,0,0|1,0,1]=4 496 B6R1.5 N[C@H]1C[C@H](O)C1 AMY11818 [1,0,0,1,0,0|1,0,1]=4 497 B6R1.5 OC1CC(F)C1 AMY33730 [1,0,0,1,0,0|1,0,1]=4 498 B6R1.5 O[C@H]1C[C@H](F)C1 AMY34301 [1,0,0,1,0,0|1,0,1]=4 499 B6R1.10 CC1(N)CCC1 AM808140 [1,0,0,1,0,0|1,0,1]=4 500 B6R1.10 CC1(N)CCC1 AMY1785 [1,0,0,1,0,0|1,0,1]=4 501 B6R1.10 CC1(O)CNC1 AM81138 [1,0,0,1,0,0|1,0,1]=4 502 B6R1.10 CC1(O)COC1 AMY33735 [1,0,0,1,0,0|1,0,1]=4 503 B6R1.11 C[C@H](N)C1CC1 AM804149 [1,0,0,1,0,0|1,0,1]=4 504 B6R1.11 C[C@H](N)C1CC1 AM806511 [1,0,0,1,0,0|1,0,1]=4 505 B6R1.11 C[C@H](O)C1CC1 AM804334 [1,0,0,1,0,0|0,0,1]=3 506 B6R1.11 O=C(O)C1CC1 AM83282 [1,0,0,1,0,0|1,0,1]=4 507 B6R1.11 OB(O)C1CC1 AM20100093 [1,0,0,1,0,0|2,0,0]=4 508 B6R1.1 C1=CCC=CC1 AM20100536 [1,0,0,1,0,0|0,0,2]=4 509 B6R1.1 C1=CCCC=C1 AM806998 [1,0,0,1,0,0|0,0,2]=4 510 B6R1.1 C1=CCCCC1 AMY17792 [1,0,0,1,0,0|0,0,0]=2 511 B6R1.1 C1=CCNCC1 AMY5955 [1,0,0,1,0,0|1,0,0]=3 512 B6R1.1 C1=CCOCC1 AM9907 [1,0,0,1,0,0|1,0,0]=3 513 B6R1.1 C1=CCSCC1 AMY37369 [1,0,0,1,0,0|1,0,0]=3 514 B6R1.1 C1=COCCC1 AMY39440 [1,0,0,1,0,0|1,0,0]=3 515 B6R1.1 C1=NCCCN1 AMY22014 [1,0,0,1,0,0|2,0,0]=4 516 B6R1.1 C1CCCCC1 AMY11047 [1,0,0,1,0,0|0,0,2]=4 517 B6R1.1 C1CCNCC1 AMY40816 [1,0,0,1,0,0|1,0,1]=4 518 B6R1.1 C1CCNNC1 AMY19957 [1,0,0,1,0,0|2,0,0]=4 519 B6R1.1 C1CCOCC1 AMY8873 [1,0,0,1,0,0|1,0,1]=4 520 B6R1.1 C1CCONC1 AM804032 [1,0,0,1,0,0|2,0,0]=4 521 B6R1.1 C1CCONC1 AMY42463 [1,0,0,1,0,0|2,0,0]=4 522 B6R1.6 BrCC1CCC1 AM20070598 [1,0,0,1,0,0|1,0,1]=4 523 B6R1.6 ClCC1CCC1 AMY31015 [1,0,0,1,0,0|1,0,1]=4 524 B6R1.6 ICC1CCC1 AMY34464 [1,0,0,1,0,0|1,0,1]=4 525 B6R1.6 N#CC1CCC1 AM20070614 [1,0,0,1,0,0|1,0,1]=4 526 B6R1.6 NCC1CCC1 AM20070613 [1,0,0,1,0,0|1,0,1]=4 527 B6R1.6 NNC1CCC1 AM9769 [1,0,0,1,0,0|2,0,0]=4 528 B6R1.6 NNC1CCC1 AM9783 [1,0,0,1,0,0|2,0,0]=4 529 B6R1.6 O=CC1CCC1 AM90197 [1,0,0,1,0,0|1,0,0]=3 530 B6R1.6 O=CC1COC1 AMY38489 [1,0,0,1,0,0|2,0,0]=4 531 B6R1.6 OCC1CCC1 AM90211 [1,0,0,1,0,0|1,0,1]=4 532 B6R1.7 NCC1(O)CC1 AM804312 [1,0,0,1,0,0|1,0,1]=4 533 B8R1.1 CC1CC(CO)CN1 AM806518 [0,1,0,1,0,0|1,0,1]=4 534 B8R1.1 CCN1CC[C@H](O)C1 AMY31539 [0,1,0,1,0,0|0,0,2]=4 535 B8R1.1 CN1CC[C@H](C=O)C1 AM92662 [0,1,0,1,0,0|2,0,0]=4 536 B8R1.1 N[C@@H]1C=C[C@H](CO)C1 AMY33458 [0,1,0,1,0,0|1,0,0]=3 537 B8R1.1 N[C@H]1C=C[C@@H](CO)C1 AMY14944 [0,1,0,1,0,0|1,0,0]=3 538 B8R1.4 C=C1CCO[C@@H](C)C1 AMY6013 [0,1,0,1,0,0|2,0,0]=4 539 B8R1.4 CC1=C[C@H](C)OCC1 AMY6011 [0,1,0,1,0,0|2,0,0]=4 540 B8R1.4 CC1CC(O)CCO1 AMY6006 [0,1,0,1,0,0|0,0,2]=4 541 B8R1.4 CN1CCC[C@H](O)C1 AM100623 [0,1,0,1,0,0|0,0,2]=4 542 B8R1.4 CN1CCC[C@H](O)C1 AM101042 [0,1,0,1,0,0|0,0,2]=4 543 B8R1.4 C[C@H]1CCCC(=O)N1 AMY16211 [0,1,0,1,0,0|2,0,0]=4 544 B8R1.4 NC1CCCC(O)C1 AM20070553 [0,1,0,1,0,0|0,0,2]=4 545 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 AMY35651 [0,1,0,1,0,0|0,0,2]=4 546 B8R1.4 N[C@@H]1CCC[C@H](O)C1 AM90249 [0,1,0,1,0,0|0,0,2]=4 547 B8R1.4 N[C@@H]1CCC[C@H](O)C1 AM90265 [0,1,0,1,0,0|0,0,2]=4 548 B8R1.4 N[C@H]1CCC[C@@H](O)C1 AMY37601 [0,1,0,1,0,0|0,0,2]=4 549 B8R1.4 N[C@H]1CCC[C@H](O)C1 AM90267 [0,1,0,1,0,0|0,0,2]=4 550 B8R1.4 N[C@H]1CCC[C@H](O)C1 AM90268 [0,1,0,1,0,0|0,0,2]=4 551 B8R1.4 O=C1C[C@@H](O)CCN1 AMY14353 [0,1,0,1,0,0|1,0,1]=4 552 B8R1.4 O=C1C[C@@H](O)CCN1 AMY9138 [0,1,0,1,0,0|1,0,1]=4 553 B8R1.4 O=C1C[C@H](O)CCN1 AMY41749 [0,1,0,1,0,0|1,0,1]=4 554 B8R1.51 CC1(C)C=CC(=O)C1 AMY17841 [0,1,0,1,0,0|0,0,2]=4 555 B8R1.2 BrC[C@H]1CCCOC1 AM20080110 [0,1,0,1,0,0|1,0,1]=4 556 B8R1.2 CC[C@@H]1CNCCO1 AMY21361 [0,1,0,1,0,0|0,0,2]=4 557 B8R1.2 CC[C@H]1CNCCO1 AMY21360 [0,1,0,1,0,0|0,0,2]=4 558 B8R1.2 CC[C@H]1CNCCO1 AMY21606 [0,1,0,1,0,0|0,0,2]=4 559 B8R1.2 CO[C@H]1CCCNC1 AM101090 [0,1,0,1,0,0|1,0,1]=4 560 B8R1.2 CO[C@H]1CCCNC1 AM101144 [0,1,0,1,0,0|1,0,1]=4 561 B8R1.2 CO[C@H]1CCCNC1 AM101293 [0,1,0,1,0,0|1,0,1]=4 562 B8R1.2 CO[C@H]1CCCNC1 AM10535 [0,1,0,1,0,0|1,0,1]=4 563 B8R1.2 CO[C@H]1CCCNC1 AM20100081 [0,1,0,1,0,0|1,0,1]=4 564 B8R1.2 ClCC1OCCCO1 AM81012 [0,1,0,1,0,0|1,0,1]=4 565 B8R1.2 ClC[C@@H]1CNCCO1 AM807060 [0,1,0,1,0,0|1,0,1]=4 566 B8R1.2 ClC[C@H]1CNCCO1 AM807061 [0,1,0,1,0,0|1,0,1]=4 567 B8R1.2 NC[C@H]1CCCCO1 AMY20116 [0,1,0,1,0,0|1,0,1]=4 568 B8R1.2 NC[C@H]1CCCOC1 AMY36453 [0,1,0,1,0,0|1,0,1]=4 569 B8R1.2 NC[C@H]1CNCCO1 AM20080111 [0,1,0,1,0,0|1,0,1]=4 570 B8R1.2 NC[C@H]1COCCO1 AM20120267 [0,1,0,1,0,0|1,0,1]=4 571 B8R1.2 NOC1CCCCC1 AMY27644 [0,1,0,1,0,0|0,0,2]=4 572 B8R1.2 NO[C@@H]1CCCCO1 AM20100619 [0,1,0,1,0,0|1,0,1]=4 573 B8R1.2 O=CC1CCCCC1 AM83285 [0,1,0,1,0,0|2,0,0]=4 574 B8R1.2 O=CC1CCNCC1 AM100891 [0,1,0,1,0,0|2,0,0]=4 575 B8R1.2 O=CC1CCNCC1 AM90778 [0,1,0,1,0,0|2,0,0]=4 576 B8R1.2 O=CC1CCNCC1 AM98195 [0,1,0,1,0,0|2,0,0]=4 577 B8R1.2 O=CC1CCOCC1 AM1035 [0,1,0,1,0,0|2,0,0]=4 578 B8R1.2 O=C[C@@H]1CCCCN1 AM100250 [0,1,0,1,0,0|2,0,0]=4 579 B8R1.2 O=C[C@@H]1CCCCN1 AM90777 [0,1,0,1,0,0|2,0,0]=4 580 B8R1.2 O=C[C@@H]1CNCCN1 AM81379 [0,1,0,1,0,0|2,0,0]=4 581 B8R1.2 O=C[C@H]1CCCNC1 AM100710 [0,1,0,1,0,0|2,0,0]=4 582 B8R1.2 O=C[C@H]1CCCNC1 AM91227 [0,1,0,1,0,0|2,0,0]=4 583 B8R1.2 O=C[C@H]1CCCOC1 AM20100767 [0,1,0,1,0,0|1,0,0]=3 584 B8R1.2 OCC1CCCCC1 AM20070443 [0,1,0,1,0,0|0,0,2]=4 585 B8R1.2 OC[C@@H]1CNCCO1 AMY21380 [0,1,0,1,0,0|1,0,1]=4 586 B8R1.2 OC[C@@H]1CNCCO1 AMY21771 [0,1,0,1,0,0|1,0,1]=4 587 B8R1.2 OC[C@H]1CCC=CO1 AMY22788 [0,1,0,1,0,0|1,0,1]=4 588 B8R1.2 OC[C@H]1CCCCN1 AM20090530 [0,1,0,1,0,0|1,0,1]=4 589 B8R1.2 OC[C@H]1CCCCO1 AMY15433 [0,1,0,1,0,0|1,0,1]=4 590 B8R1.2 OC[C@H]1CCCNC1 AM100839 [0,1,0,1,0,0|1,0,1]=4 591 B8R1.2 OC[C@H]1CCCOC1 AM20080365 [0,1,0,1,0,0|1,0,1]=4 592 B8R1.2 OC[C@H]1CNCCO1 AM20080410 [0,1,0,1,0,0|1,0,1]=4 593 B8R1.2 OC[C@H]1CNCCO1 AM802856 [0,1,0,1,0,0|1,0,1]=4 594 B8R1.2 OC[C@H]1CNCCO1 AMY21776 [0,1,0,1,0,0|1,0,1]=4 595 B8R1.2 OC[C@H]1CNCCO1 AMY25031 [0,1,0,1,0,0|1,0,1]=4 596 B8R1.2 OC[C@H]1COCCO1 AMY6751 [0,1,0,1,0,0|1,0,1]=4 597 B8R1.3 CN1CCC(O)CC1 AM802881 [0,1,0,1,0,0|0,0,2]=4 598 B8R1.3 CN1CCC(O)CC1 AMY37059 [0,1,0,1,0,0|0,0,2]=4 599 B8R1.3 C[C@@H]1C=CC(=O)CC1 AMY6166 [0,1,0,1,0,0|0,0,2]=4 600 B8R1.3 C[C@@H]1CC[C@H](O)CN1 AM806519 [0,1,0,1,0,0|0,0,2]=4 601 B8R1.3 C[C@H]1CC[C@H](O)CC1 AM9714 [0,1,0,1,0,0|0,0,2]=4 602 B8R1.3 C[C@H]1CC[C@H](O)CN1 AM806517 [0,1,0,1,0,0|0,0,2]=4 603 B8R1.3 C[C@H]1CC[C@H](O)CN1 AM806520 [0,1,0,1,0,0|0,0,2]=4 604 B8R1.3 NC1CCC(O)CC1 AMY6164 [0,1,0,1,0,0|0,0,2]=4 605 B8R1.3 N[C@H]1CC[C@@H](O)CC1 AM62718 [0,1,0,1,0,0|0,0,2]=4 606 B8R1.3 N[C@H]1CC[C@@H](O)CC1 AMY35196 [0,1,0,1,0,0|0,0,2]=4 607 B8R1.3 N[C@H]1CC[C@H](O)CC1 AM20070547 [0,1,0,1,0,0|0,0,2]=4 608 B8R1.3 N[C@H]1CC[C@H](O)CC1 AM20070555 [0,1,0,1,0,0|0,0,2]=4 609 B8R1.5 CC1CNCCC1O AM10443 [0,1,0,1,0,0|0,0,2]=4 610 B8R1.5 CC1CNCCC1O AM803717 [0,1,0,1,0,0|0,0,2]=4 611 B8R1.5 CC1COCCC1O AM101521 [0,1,0,1,0,0|0,0,2]=4 612 B8R1.5 C[C@H]1CCCCC1=O AMY18022 [0,1,0,1,0,0|1,0,1]=4 613 B8R1.5 C[C@H]1CNCCC1=O AM20080736 [0,1,0,1,0,0|2,0,0]=4 614 B8R1.5 C[C@H]1CNCCC1=O AMY34879 [0,1,0,1,0,0|2,0,0]=4 615 B8R1.5 C[C@H]1COCCC1=O AM91072 [0,1,0,1,0,0|2,0,0]=4 616 B8R1.5 NC1CCCCC1O AMY1039 [0,1,0,1,0,0|0,0,2]=4 617 B8R1.5 N[C@@H]1CCCC[C@@H]1O AM62785 [0,1,0,1,0,0|0,0,2]=4 618 B8R1.5 N[C@@H]1CCCC[C@@H]1O AM62786 [0,1,0,1,0,0|0,0,2]=4 619 B8R1.5 N[C@@H]1CCCNC1=O AMY4367 [0,1,0,1,0,0|2,0,0]=4 620 B8R1.5 N[C@@H]1CCOC[C@@H]1O AMY35197 [0,1,0,1,0,0|1,0,1]=4 621 B8R1.5 N[C@@H]1CCOC[C@H]1O AMY16937 [0,1,0,1,0,0|1,0,1]=4 622 B8R1.5 N[C@@H]1CCOC[C@H]1O AMY16938 [0,1,0,1,0,0|1,0,1]=4 623 B8R1.5 N[C@@H]1COCC[C@H]1O AMY16933 [0,1,0,1,0,0|1,0,1]=4 624 B8R1.5 N[C@@H]1COCC[C@H]1O AMY16934 [0,1,0,1,0,0|1,0,1]=4 625 B8R1.5 N[C@H]1CCCCC1=O AMY19399 [0,1,0,1,0,0|1,0,1]=4 626 B8R1.5 N[C@H]1CCCC[C@@H]1O AM20070541 [0,1,0,1,0,0|0,0,2]=4 627 B8R1.5 N[C@H]1CCCC[C@@H]1O AM20070542 [0,1,0,1,0,0|0,0,2]=4 628 B8R1.5 N[C@H]1CCCC[C@@H]1O AM62775 [0,1,0,1,0,0|0,0,2]=4 629 B8R1.5 N[C@H]1CCCC[C@@H]1O AM62781 [0,1,0,1,0,0|0,0,2]=4 630 B8R1.5 N[C@H]1CCCC[C@H]1O AMY18313 [0,1,0,1,0,0|0,0,2]=4 631 B8R1.5 N[C@H]1CCCNC1=O AMY4262 [0,1,0,1,0,0|2,0,0]=4 632 B8R1.5 N[C@H]1CCCNC1=O AMY769 [0,1,0,1,0,0|2,0,0]=4 633 B8R1.5 N[C@H]1CCOC[C@@H]1O AMY16939 [0,1,0,1,0,0|1,0,1]=4 634 B8R1.5 N[C@H]1CCOC[C@@H]1O AMY16940 [0,1,0,1,0,0|1,0,1]=4 635 B8R1.5 N[C@H]1CCOC[C@H]1O AMY35749 [0,1,0,1,0,0|1,0,1]=4 636 B8R1.5 N[C@H]1COCC[C@@H]1O AMY16887 [0,1,0,1,0,0|1,0,1]=4 637 B8R1.5 N[C@H]1COCC[C@H]1O AMY35193 [0,1,0,1,0,0|1,0,1]=4 638 B8R1.5 O=C1CCCC[C@@H]1Br AM10048 [0,1,0,1,0,0|1,0,1]=4 639 B8R1.5 O=C1CCCC[C@@H]1F AMY42368 [0,1,0,1,0,0|1,0,1]=4 640 B8R1.5 O=C1CCNC[C@@H]1Br AM85422 [0,1,0,1,0,0|2,0,0]=4 641 B8R1.5 O=C1CCNC[C@@H]1F AMY6018 [0,1,0,1,0,0|2,0,0]=4 642 B8R1.5 O=C1CCNC[C@@H]1F AMY6089 [0,1,0,1,0,0|2,0,0]=4 643 B8R1.5 O=C1CCOC[C@@H]1Br AMY6158 [0,1,0,1,0,0|2,0,0]=4 644 B8R1.5 O=C1CCOC[C@@H]1F AMY6088 [0,1,0,1,0,0|2,0,0]=4 645 B8R1.5 OC1CCNCC1O AMY19280 [0,1,0,1,0,0|1,0,1]=4 646 B8R1.5 OC1CCOCC1F AMY34852 [0,1,0,1,0,0|1,0,1]=4 647 B8R1.5 O[C@H]1CCCC[C@@H]1O AM9724 [0,1,0,1,0,0|0,0,2]=4 648 B8R1.5 O[C@H]1CCNC[C@H]1F AMY14765 [0,1,0,1,0,0|1,0,1]=4 649 B8R1.5 O[C@H]1CCOC[C@@H]1F AMY35862 [0,1,0,1,0,0|1,0,1]=4 650 B8R1.5 O[C@H]1CNCC[C@H]1O AMY34059 [0,1,0,1,0,0|1,0,1]=4 651 B8R1.22 OC1CNCCNC1 AM90255 [0,1,0,1,0,0|1,0,1]=4 652 B8R1.22 O[C@H]1CCCNCC1 AM802973 [0,1,0,1,0,0|0,0,2]=4 653 B8R1.50 CN1CC[C@H](N)C1=O AMY15163 [0,1,0,1,0,0|2,0,0]=4 654 B8R1.50 C[C@@H]1NC[C@H](O)[C@H]1O AMY19209 [0,1,0,1,0,0|1,0,1]=4 655 B8R1.50 C[C@H]1CCN(C)C1=O AM86096 [0,1,0,1,0,0|2,0,0]=4 656 B8R1.52 C[C@@]1(C#N)CCCO1 AMY3382 [0,1,0,1,0,0|1,0,1]=4 657 B8R1.52 C[C@]1(CN)CCCO1 AM20100681 [0,1,0,1,0,0|1,0,1]=4 658 B8R1.52 NCC1(O)CCCC1 AM20100163 [0,1,0,1,0,0|1,0,1]=4 659 B8R1.52 OC[C@]1(O)CCNC1 AM97514 [0,1,0,1,0,0|1,0,1]=4 660 B8R1.7 C=C(C)C1=NCCO1 AMY10787 [0,1,0,1,0,0|1,0,1]=4 661 B8R1.7 CC(=O)C1CCCC1 AMY7477 [0,1,0,1,0,0|1,0,1]=4 662 B8R1.7 N=C(N)C1CCCC1 AM806532 [0,1,0,1,0,0|2,0,0]=4 663 B8R1.7 NC(=O)[C@@H]1CCCN1 AM20080102 [0,1,0,1,0,0|2,0,0]=4 664 B8R1.7 NC(=O)[C@@H]1CCCN1 AM20100548 [0,1,0,1,0,0|2,0,0]=4 665 B8R1.7 NC(=O)[C@@H]1CCCN1 AM20100732 [0,1,0,1,0,0|2,0,0]=4 666 B8R1.7 NC(=O)[C@@H]1CCCN1 AM82205 [0,1,0,1,0,0|2,0,0]=4 667 B8R1.7 NC(=O)[C@@H]1CCCN1 AM82206 [0,1,0,1,0,0|2,0,0]=4 668 B8R1.7 O=C(Cl)[C@@H]1CCCO1 AMY8077 [0,1,0,1,0,0|1,0,0]=3 669 B8R1.7 O=C(O)C1CCCC1 AM83283 [0,1,0,1,0,0|2,0,0]=4 670 B8R1.7 O=C(O)[C@@H]1CCCN1 AM20080359 [0,1,0,1,0,0|2,0,0]=4 671 B8R1.7 O=C(O)[C@@H]1CCCN1 AM20090537 [0,1,0,1,0,0|2,0,0]=4 672 B8R1.7 O=C(O)[C@@H]1CCCN1 AM20100482 [0,1,0,1,0,0|2,0,0]=4 673 B8R1.7 O=C(O)[C@@H]1CCCN1 AMY28657 [0,1,0,1,0,0|2,0,0]=4 674 B8R1.7 O=C(O)[C@@H]1CCCO1 AM20090013 [0,1,0,1,0,0|1,0,0]=3 675 B8R1.7 O=C(O)[C@@H]1CCCO1 AM20110255 [0,1,0,1,0,0|1,0,0]=3 676 B8R1.7 O=C(O)[C@@H]1CCCO1 AM20110256 [0,1,0,1,0,0|1,0,0]=3 677 B8R1.7 O=C(O)[C@@H]1CCCS1 AM803451 [0,1,0,1,0,0|1,1,0]=4 678 B8R1.19 CC1(C)CCCC1=O AMY25679 [0,1,0,1,0,0|2,0,0]=4 679 B8R1.23 CC1CC(C(=O)O)C1 AM804062 [0,1,0,1,0,0|2,0,0]=4 680 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 AMY34068 [0,1,0,1,0,0|2,0,0]=4 681 B8R1.23 C[C@H]1C[C@H](C(=O)O)C1 AMY34302 [0,1,0,1,0,0|2,0,0]=4 682 B8R1.54 N[C@H](C(=O)O)C1CC1 AM803956 [0,1,0,1,0,0|2,0,0]=4 683 B8R1.54 N[C@H](C(=O)O)C1CC1 AMY14385 [0,1,0,1,0,0|2,0,0]=4 684 B8R1.54 N[C@H](C(=O)O)C1CC1 AMY36516 [0,1,0,1,0,0|2,0,0]=4 685 B8R1.78 CC1(C(=O)O)CCC1 AMY33490 [0,1,0,1,0,0|2,0,0]=4 686 B8R1.78 NC1(C(=O)O)CCC1 AM20070607 [0,1,0,1,0,0|2,0,0]=4 687 B8R1.78 NC1(C(=O)O)CCC1 AMY16489 [0,1,0,1,0,0|2,0,0]=4 688 B8R1.78 O=C(O)C1(Br)CCC1 AMY40623 [0,1,0,1,0,0|2,0,0]=4 689 B8R1.78 O=C(O)C1(O)CCC1 AMY23436 [0,1,0,1,0,0|1,0,0]=3 690 B8R1.8 CCCC1=NC=CN1 AM20100251 [0,1,0,1,0,0|1,0,1]=4 691 B8R1.8 CCCC1=NN=CO1 AM20080227 [0,1,0,1,0,0|1,0,1]=4 692 B8R1.8 CCCC1=NNC=C1 AMY6454 [0,1,0,1,0,0|1,0,1]=4 693 B8R1.8 CCCN1C=CN=C1 AMY8648 [0,1,0,1,0,0|2,0,0]=4 694 B8R1.8 NCCC1=CC=CO1 AM20080071 [0,1,0,1,0,0|1,0,1]=4 695 B8R1.8 NCC[C@H]1CCCO1 AM20120396 [0,1,0,1,0,0|0,0,2]=4 696 B8R1.8 O=CCC1CCCC1 AMY18693 [0,1,0,1,0,0|1,0,1]=4 697 B8R1.11 C#CC1CCCC1O AMY20186 [0,1,0,1,0,0|0,0,2]=4 698 B8R1.11 CCN1N=CC=C1O AMY32875 [0,1,0,1,0,0|1,0,1]=4 699 B8R1.11 CN1CCC[C@@H]1CO AM20090536 [0,1,0,1,0,0|1,0,1]=4 700 B8R1.11 CN1CCC[C@@H]1CO AM808182 [0,1,0,1,0,0|1,0,1]=4 701 B8R1.11 CN1CCC[C@H]1C=O AM101350 [0,1,0,1,0,0|2,0,0]=4 702 B8R1.11 CN1CCC[C@H]1C=O AM92013 [0,1,0,1,0,0|2,0,0]=4 703 B8R1.11 N#C[C@H]1CCCC1=O AMY4320 [0,1,0,1,0,0|2,0,0]=4 704 B8R1.11 O=C1NCC[C@@H]1CO AMY34785 [0,1,0,1,0,0|2,0,0]=4 705 B8R1.72 CC1(O)CCCCC1 AMY25717 [0,1,0,1,0,0|0,0,2]=4 706 B8R1.72 C[C@]1(O)CCCNC1 AM20100188 [0,1,0,1,0,0|1,0,1]=4 707 B8R1.60 NCC1(CO)CCC1 AM20070606 [0,1,0,1,0,0|1,0,1]=4 708 B8R1.60 OCC1(CO)CCC1 AMY37376 [0,1,0,1,0,0|1,0,1]=4 709 B8R2.34 C1=CC2C=CC1C2 AMY19747 [0,0,0,2,0,0|1,0,1]=4 710 B8R2.34 C1=CC2CC1CN2 AMY35181 [0,0,0,2,0,0|1,0,0]=3 711 B8R2.34 C1=CC2CCC1C2 AMY10401 [0,0,0,2,0,0|1,0,0]=3 712 B8R2.34 C1OC2CNC1C2 AMY33619 [0,0,0,2,0,0|1,0,1]=4 713 B8R2.34 C1O[C@@H]2CN[C@H]1C2 AM20120312 [0,0,0,2,0,0|1,0,1]=4 714 B8R2.34 C1O[C@H]2CN[C@@H]1C2 AMY202003237 [0,0,0,2,0,0|1,0,1]=4 715 B8R2.18 OC1CC2CC2C1 AMY26501 [0,0,0,2,0,0|0,0,2]=4 716 B8R2.23 C1NCC2CC1O2 AM10861 [0,0,0,2,0,0|1,0,1]=4 717 B8R2.23 C1NCC2CC1O2 AMY12205 [0,0,0,2,0,0|1,0,1]=4 718 B8R2.25 C1CC2OC2CO1 AMY11235 [0,0,0,2,0,0|1,0,1]=4