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[1,0,0,0,0,0|1,0,2]=4 18 B6R0.2 CC(=O)CC(C)C AMY11098 [1,0,0,0,0,0|1,0,0]=2 19 B6R0.2 CC(=O)NC(C)C AMY3785 [1,0,0,0,0,0|2,0,0]=3 20 B6R0.2 CC(C)CB(O)O AM80872 [1,0,0,0,0,0|1,0,1]=3 21 B6R0.2 CC(C)CC(=O)O AMY40214 [1,0,0,0,0,0|0,0,0]=1 22 B6R0.2 CC(C)C[C@H](C)N AMY36830 [1,0,0,0,0,0|2,0,1]=4 23 B6R0.2 CC(C)OC(=O)Cl AMY3776 [1,0,0,0,0,0|2,0,0]=3 24 B6R0.2 CC(O)CC(=O)[O-] AMY10051 [1,0,0,0,0,0|1,0,1]=3 25 B6R0.2 CC(O)CC(=O)[O-] AMY10054 [1,0,0,0,0,0|1,0,1]=3 26 B6R0.2 CN(C)CC(=O)O AM20080064 [1,0,0,0,0,0|1,0,0]=2 27 B6R0.2 CN(C)CC(=O)O AM81799 [1,0,0,0,0,0|1,0,0]=2 28 B6R0.2 CN(C)CC(=O)[O-] AMY42162 [1,0,0,0,0,0|1,0,1]=3 29 B6R0.2 CN(C)CC(=O)[O-] AMY42163 [1,0,0,0,0,0|1,0,1]=3 30 B6R0.2 C[C@@H](O)CC(=O)O AMY24176 [1,0,0,0,0,0|1,0,0]=2 31 B6R0.2 C[C@@H](O)CN(C)C AMY16641 [1,0,0,0,0,0|2,0,1]=4 32 B6R0.2 C[C@H](N)CC(=O)O AM20100008 [1,0,0,0,0,0|1,0,0]=2 33 B6R0.2 C[C@H](N)CC(=O)O AM20100009 [1,0,0,0,0,0|1,0,0]=2 34 B6R0.2 C[C@H](N)CC(=O)O AM20100428 [1,0,0,0,0,0|1,0,0]=2 35 B6R0.2 C[C@H](N)CC(=O)O AM804090 [1,0,0,0,0,0|1,0,0]=2 36 B6R0.2 C[C@H](O)CC(=O)O AMY10050 [1,0,0,0,0,0|1,0,0]=2 37 B6R0.2 C[C@H](O)CC(=O)O AMY24175 [1,0,0,0,0,0|1,0,0]=2 38 B6R0.2 C[C@H](O)CC(=O)[O-] AM86469 [1,0,0,0,0,0|1,0,1]=3 39 B6R0.2 C[C@H](O)CC(=O)[O-] AMY10052 [1,0,0,0,0,0|1,0,1]=3 40 B6R0.2 C[C@H](O)CC(=O)[O-] AMY10055 [1,0,0,0,0,0|1,0,1]=3 41 B6R0.2 C[C@H](O)CN(C)C AMY13331 [1,0,0,0,0,0|2,0,1]=4 42 B6R0.2 C[S+](C)CC(=O)[O-] AM90363 [1,0,0,0,0,0|1,0,1]=3 43 B6R0.2 O=C(O)CC(=O)O AMY11201 [1,0,0,0,0,0|2,0,1]=4 44 B6R0.2 O=C(O)CC(F)F AMY6157 [1,0,0,0,0,0|2,0,0]=3 45 B6R0.4 C=CCCC(=O)Cl AMY808 [1,0,0,0,0,0|1,0,2]=4 46 B6R0.4 C=CCCC(=O)O AMY12553 [1,0,0,0,0,0|0,0,2]=3 47 B6R0.4 C=CCCC(C)=O AM84335 [1,0,0,0,0,0|1,0,2]=4 48 B6R0.4 C=CNCC(=O)O AMY22733 [1,0,0,0,0,0|1,0,2]=4 49 B6R0.4 CC(=O)NCCN AMY40665 [1,0,0,0,0,0|3,0,0]=4 50 B6R0.4 CCCCC(=O)[O-] AMY026 [1,0,0,0,0,0|0,0,1]=2 51 B6R0.4 CCCCN(C)C AMY25818 [1,0,0,0,0,0|3,0,0]=4 52 B6R0.4 CCCOC(=O)Cl AMY3779 [1,0,0,0,0,0|2,0,0]=3 53 B6R0.4 CCOCC(=O)O AMY4062 [1,0,0,0,0,0|1,0,0]=2 54 B6R0.4 CCSCC(=O)O AM20100532 [1,0,0,0,0,0|1,0,0]=2 55 B6R0.4 CNCCC(=O)O AM84855 [1,0,0,0,0,0|1,0,0]=2 56 B6R0.4 COCCC(=O)O AMY2689 [1,0,0,0,0,0|1,0,0]=2 57 B6R0.4 NC(=O)OCCCl AMY19018 [1,0,0,0,0,0|3,0,0]=4 58 B6R0.4 NCCCC(=O)O AM20100372 [1,0,0,0,0,0|1,0,0]=2 59 B6R0.4 NCCCC(N)=O AMY15220 [1,0,0,0,0,0|2,0,0]=3 60 B6R0.4 O=C(Cl)CCCCl AMY25684 [1,0,0,0,0,0|2,0,0]=3 61 B6R0.4 O=C(O)CCCS AM20080221 [1,0,0,0,0,0|1,0,0]=2 62 B6R0.4 O=C(O)\C=C\CBr AMY7050 [1,0,0,0,0,0|1,0,2]=4 63 B8R0.2 CCC(C)C(Br)C(=O)O AMY25125 [0,1,0,0,0,0|0,0,0]=1 64 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O AM81860 [0,1,0,0,0,0|0,0,0]=1 65 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O AM81861 [0,1,0,0,0,0|0,0,0]=1 66 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O AM81840 [0,1,0,0,0,0|0,0,0]=1 67 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O AM81842 [0,1,0,0,0,0|0,0,0]=1 68 B8R0.2 CO[C@H](C)[C@H](N)C(=O)O AM82265 [0,1,0,0,0,0|1,0,0]=2 69 B8R0.2 O=C([O-])[C@@H](O)[C@H](O)CO AM83965 [0,1,0,0,0,0|2,0,1]=4 70 B8R0.2 O=C([O-])[C@H](O)[C@@H](O)CO AMY32635 [0,1,0,0,0,0|2,0,1]=4 71 B8R0.5 CCC[C@H](C)CC(C)C AMY6077 [0,1,0,0,0,0|2,0,1]=4 72 B8R0.5 CCOC(=O)CC(=O)Cl AM90203 [0,1,0,0,0,0|2,0,1]=4 73 B8R0.5 CCOC(=O)CC(=O)O AMY3657 [0,1,0,0,0,0|1,0,1]=3 74 B8R0.5 CCOC(=O)CC(=O)[O-] AMY4053 [0,1,0,0,0,0|1,0,2]=4 75 B8R0.5 CCOC(=O)CC(N)=O AMY2619 [0,1,0,0,0,0|2,0,1]=4 76 B8R0.16 COC(C[C@H](C)O)OC AMY38802 [0,1,0,0,0,0|2,0,1]=4 77 B8R0.19 CCC(=O)CC(=O)CC AMY8840 [0,1,0,0,0,0|2,0,1]=4 78 B8R0.19 CCC(=O)CC(=O)OC AMY21932 [0,1,0,0,0,0|1,0,1]=3 79 B8R0.19 CC[C@H](O)CC(=O)OC AM85819 [0,1,0,0,0,0|1,0,0]=2 80 B8R0.19 COC(=N)CC(=O)OC AMY31003 [0,1,0,0,0,0|2,0,1]=4 81 B8R0.19 COC(=O)CC(=O)OC AMY10014 [0,1,0,0,0,0|2,0,1]=4 82 B8R0.23 CC(=O)N[C@@H](C)C(C)=O AMY4869 [0,1,0,0,0,0|2,0,1]=4 83 B8R0.23 CC(=O)O[C@@H](C)C(C)=O AM20080686 [0,1,0,0,0,0|2,0,1]=4 84 B8R0.23 CC(C)[C@@H](N)CC(=O)O AMY30425 [0,1,0,0,0,0|1,0,0]=2 85 B8R0.23 CC(C)[C@H](N)CC(=O)O AMY14234 [0,1,0,0,0,0|1,0,0]=2 86 B8R0.23 CC(C)[C@H](N)CC(=O)O AMY30426 [0,1,0,0,0,0|1,0,0]=2 87 B8R0.23 CN(CC(=O)O)C(=N)N AMY22142 [0,1,0,0,0,0|2,0,1]=4 88 B8R0.23 CN(CC(=O)O)C(=N)N AMY22149 [0,1,0,0,0,0|2,0,1]=4 89 B8R0.23 CN(CC(=O)O)C(=N)N AMY22150 [0,1,0,0,0,0|2,0,1]=4 90 B8R0.23 CN(CC(=O)O)C(=N)N AMY8957 [0,1,0,0,0,0|2,0,1]=4 91 B8R0.23 N[C@@H](CC(=O)O)C(=O)O AM20090057 [0,1,0,0,0,0|2,0,1]=4 92 B8R0.23 N[C@@H](CC(=O)O)C(=O)O AM20100510 [0,1,0,0,0,0|2,0,1]=4 93 B8R0.23 N[C@@H](CC(=O)O)C(=O)O AM81585 [0,1,0,0,0,0|2,0,1]=4 94 B8R0.23 O=C(O)C[C@H](O)C(=O)O AM81418 [0,1,0,0,0,0|2,0,1]=4 95 B8R0.23 O=C(O)C[C@H](O)C(=O)O AMY40197 [0,1,0,0,0,0|2,0,1]=4 96 B8R0.24 CC[C@H](C)CS(=O)(=O)[O-] AMY3853 [0,1,0,0,0,0|1,0,1]=3 97 B8R1.1 CCN1CC[C@H](O)C1 AMY31539 [0,0,0,1,0,0|2,0,1]=4 98 B8R1.1 CC[C@H]1CNC(=O)O1 AM806527 [0,0,0,1,0,0|2,0,0]=3 99 B8R1.1 NC[C@@H]1CCC(=O)N1 AMY21674 [0,0,0,1,0,0|3,0,0]=4 100 B8R1.1 NC[C@@H]1CNC(=O)C1 AMY34438 [0,0,0,1,0,0|2,0,0]=3 101 B8R1.1 NC[C@@H]1CNC(=O)C1 AMY4351 [0,0,0,1,0,0|2,0,0]=3 102 B8R1.1 NC[C@H]1CCC(=O)N1 AMY21633 [0,0,0,1,0,0|3,0,0]=4 103 B8R1.1 NC[C@H]1CNC(=O)C1 AMY34442 [0,0,0,1,0,0|2,0,0]=3 104 B8R1.1 NC[C@H]1CNC(=O)O1 AMY33861 [0,0,0,1,0,0|3,0,0]=4 105 B8R1.1 O=C1C=C(CBr)CO1 AMY20313 [0,0,0,1,0,0|1,0,2]=4 106 B8R1.1 O=C1CC[C@@H](CBr)N1 AMY25044 [0,0,0,1,0,0|3,0,0]=4 107 B8R1.1 O=C1CC[C@H](CO)N1 AM20090035 [0,0,0,1,0,0|3,0,0]=4 108 B8R1.1 O=C1CC[C@H](CO)N1 AM20100613 [0,0,0,1,0,0|3,0,0]=4 109 B8R1.1 O=C1CC[C@H](CO)O1 AM20090484 [0,0,0,1,0,0|3,0,0]=4 110 B8R1.1 O=C1C[C@H](CO)CO1 AM806516 [0,0,0,1,0,0|1,0,0]=2 111 B8R1.1 O=C1NC[C@H](CO)O1 AMY20364 [0,0,0,1,0,0|3,0,0]=4 112 B8R1.1 O=C1N[C@@H](CI)CO1 AMY21405 [0,0,0,1,0,0|2,0,0]=3 113 B8R1.1 O=C1N[C@@H](CO)CO1 AMY21700 [0,0,0,1,0,0|2,0,0]=3 114 B8R1.1 O=C1N[C@H](CI)CO1 AMY21406 [0,0,0,1,0,0|2,0,0]=3 115 B8R1.1 O=C1N[C@H](CO)CO1 AMY21777 [0,0,0,1,0,0|2,0,0]=3 116 B8R1.4 C=C1CCO[C@@H](C)C1 AMY6013 [0,0,0,1,0,0|3,0,0]=4 117 B8R1.4 CC1CC(Br)CCO1 AMY6009 [0,0,0,1,0,0|2,0,1]=4 118 B8R1.4 CC1CC(Cl)CCO1 AMY6010 [0,0,0,1,0,0|2,0,1]=4 119 B8R1.4 CC1CC(N)CCO1 AMY5951 [0,0,0,1,0,0|2,0,1]=4 120 B8R1.4 CC1CC(N)CCO1 AMY5952 [0,0,0,1,0,0|2,0,1]=4 121 B8R1.4 CC1CC(O)CCO1 AMY6006 [0,0,0,1,0,0|2,0,1]=4 122 B8R1.4 CC1CCCC(N)C1 AM20070507 [0,0,0,1,0,0|2,0,1]=4 123 B8R1.4 CN1CCCC(=O)C1 AM20100357 [0,0,0,1,0,0|2,0,0]=3 124 B8R1.4 CN1CCC[C@H](O)C1 AM100623 [0,0,0,1,0,0|2,0,1]=4 125 B8R1.4 CN1CCC[C@H](O)C1 AM101042 [0,0,0,1,0,0|2,0,1]=4 126 B8R1.4 CN1CCNC(=O)C1 AMY22966 [0,0,0,1,0,0|2,0,0]=3 127 B8R1.4 C[C@H]1CC(=O)CCN1 AM20080278 [0,0,0,1,0,0|2,0,0]=3 128 B8R1.4 C[C@H]1CC(=O)CCN1 AMY13581 [0,0,0,1,0,0|2,0,0]=3 129 B8R1.4 C[C@H]1CC(=O)CCO1 AMY5961 [0,0,0,1,0,0|2,0,0]=3 130 B8R1.4 C[C@H]1CCCC(=O)N1 AMY16211 [0,0,0,1,0,0|2,0,0]=3 131 B8R1.4 C[C@H]1CNCC(=O)N1 AM804110 [0,0,0,1,0,0|3,0,0]=4 132 B8R1.4 NC1CCCC(O)C1 AM20070553 [0,0,0,1,0,0|2,0,1]=4 133 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 AMY35651 [0,0,0,1,0,0|2,0,1]=4 134 B8R1.4 N[C@@H]1CCC[C@H](O)C1 AM90249 [0,0,0,1,0,0|2,0,1]=4 135 B8R1.4 N[C@@H]1CCC[C@H](O)C1 AM90265 [0,0,0,1,0,0|2,0,1]=4 136 B8R1.4 N[C@H]1CCC[C@@H](O)C1 AMY37601 [0,0,0,1,0,0|2,0,1]=4 137 B8R1.4 N[C@H]1CCC[C@H](O)C1 AM90267 [0,0,0,1,0,0|2,0,1]=4 138 B8R1.4 N[C@H]1CCC[C@H](O)C1 AM90268 [0,0,0,1,0,0|2,0,1]=4 139 B8R1.4 N[C@H]1CCNC(=O)C1 AM20100356 [0,0,0,1,0,0|2,0,0]=3 140 B8R1.4 N[C@H]1CCNC(=O)C1 AMY34928 [0,0,0,1,0,0|2,0,0]=3 141 B8R1.4 O=C1CCCC(=O)C1 AM20070493 [0,0,0,1,0,0|2,0,1]=4 142 B8R1.4 O=C1CCNC(=O)C1 AM20100242 [0,0,0,1,0,0|2,0,1]=4 143 B8R1.4 O=C1C[C@@H](O)CCN1 AMY14353 [0,0,0,1,0,0|2,0,0]=3 144 B8R1.4 O=C1C[C@@H](O)CCN1 AMY9138 [0,0,0,1,0,0|2,0,0]=3 145 B8R1.4 O=C1C[C@H](O)CCN1 AMY41749 [0,0,0,1,0,0|2,0,0]=3 146 B8R1.18 CC1=CC(=O)O[C@@H]1O AMY11083 [0,0,0,1,0,0|1,0,2]=4 147 B8R1.18 C[C@@H]1NC(=O)OC1=O AM84795 [0,0,0,1,0,0|2,0,1]=4 148 B8R1.31 CC1CCC1C(=O)O AM807028 [0,0,0,1,0,0|0,0,0]=1 149 B8R1.31 CC1NCC1C(=O)O AMY35766 [0,0,0,1,0,0|1,0,0]=2 150 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O AMY35641 [0,0,0,1,0,0|1,0,0]=2 151 B8R1.34 CC(=O)NC1CNC1 AMY34221 [0,0,0,1,0,0|3,0,0]=4 152 B8R1.34 O=C(O)C=C1CCC1 AMY33602 [0,0,0,1,0,0|0,0,2]=3 153 B8R1.34 O=C(O)CC1CCC1 AM807029 [0,0,0,1,0,0|0,0,0]=1 154 B8R1.34 O=C(O)CC1CNC1 AMY33688 [0,0,0,1,0,0|1,0,0]=2 155 B8R1.34 O=C(O)CC1CNC1 AMY38757 [0,0,0,1,0,0|1,0,0]=2 156 B8R1.34 O=C(O)CC1COC1 AMY19671 [0,0,0,1,0,0|1,0,0]=2 157 B8R1.34 O=C(O)CN1CCC1 AMY21704 [0,0,0,1,0,0|1,0,0]=2 158 B8R1.43 N#C[C@@H]1C[C@H]1C(=O)O AMY12294 [0,0,0,1,0,0|1,0,1]=3 159 B8R1.51 C[C@H]1CCS(=O)(=O)O1 AMY1253 [0,0,0,1,0,0|2,0,1]=4 160 B8R1.51 N[C@@H]1CCS(=O)(=O)C1 AMY37457 [0,0,0,1,0,0|2,0,1]=4 161 B8R1.51 N[C@H]1CCS(=O)(=O)C1 AM85058 [0,0,0,1,0,0|2,0,1]=4 162 B8R1.51 N[C@H]1CCS(=O)(=O)C1 AMY37458 [0,0,0,1,0,0|2,0,1]=4 163 B8R1.53 CC1(O)CC(CN)C1 AMY35818 [0,0,0,1,0,0|2,0,1]=4 164 B8R1.53 C[C@]1(O)C[C@@H](CN)C1 AMY34066 [0,0,0,1,0,0|2,0,1]=4 165 B8R1.62 CC1(C#N)CC(=O)C1 AMY34627 [0,0,0,1,0,0|2,0,1]=4 166 B6R0.3 C=C(I)[C@H](C)CI AMY6046 [0,0,0,0,1,0|3,0,0]=4 167 B6R0.3 CC(=O)[C@@H](C)C=O AMY6397 [0,0,0,0,1,0|2,0,1]=4 168 B6R0.3 CCC(=O)C(=O)O AM90224 [0,0,0,0,1,0|1,0,1]=3 169 B6R0.3 CCC(=O)C(=O)[O-] AMY7718 [0,0,0,0,1,0|1,0,2]=4 170 B6R0.3 CCC(=O)C(C)=O AMY4046 [0,0,0,0,1,0|2,0,1]=4 171 B6R0.3 CCN(C)C(=O)Cl AM20090787 [0,0,0,0,1,0|2,0,0]=3 172 B6R0.3 CCN(O)C(C)=O AMY33549 [0,0,0,0,1,0|3,0,0]=4 173 B6R0.3 CC[C@@H](Br)C(=O)O AMY2458 [0,0,0,0,1,0|1,0,0]=2 174 B6R0.3 CC[C@@H](N)C(N)=O AMY725 [0,0,0,0,1,0|2,0,0]=3 175 B6R0.3 CC[C@H](Br)C(=O)O AM81433 [0,0,0,0,1,0|1,0,0]=2 176 B6R0.3 CC[C@H](C)B(O)O AM85121 [0,0,0,0,1,0|1,0,1]=3 177 B6R0.3 CC[C@H](C)C(=O)O AM802977 [0,0,0,0,1,0|0,0,0]=1 178 B6R0.3 CC[C@H](N)C(=O)O AM20080375 [0,0,0,0,1,0|1,0,0]=2 179 B6R0.3 CC[C@H](N)C(=O)O AM20090323 [0,0,0,0,1,0|1,0,0]=2 180 B6R0.3 CC[C@H](N)C(=O)O AM20090360 [0,0,0,0,1,0|1,0,0]=2 181 B6R0.3 CC[C@H](N)C(N)=O AM20100759 [0,0,0,0,1,0|2,0,0]=3 182 B6R0.3 CC[C@H](N)C(N)=O AM20120294 [0,0,0,0,1,0|2,0,0]=3 183 B6R0.3 CC[C@H](S)C(=O)O AMY2446 [0,0,0,0,1,0|1,0,0]=2 184 B6R0.3 CN[C@@H](C)C(=O)O AM81482 [0,0,0,0,1,0|1,0,0]=2 185 B6R0.3 CN[C@@H](C)C(=O)O AM82991 [0,0,0,0,1,0|1,0,0]=2 186 B6R0.3 CN[C@@H](C)C(=O)O AM9397 [0,0,0,0,1,0|1,0,0]=2 187 B6R0.3 CN[C@@H](C)C(=O)[O-] AM9064 [0,0,0,0,1,0|1,0,1]=3 188 B6R0.3 CN[C@H](C)C(=O)O AMY25382 [0,0,0,0,1,0|1,0,0]=2 189 B6R0.3 CON(C)C(C)=O AM1188 [0,0,0,0,1,0|3,0,0]=4 190 B6R0.3 CO[C@H](C)C(=O)O AM84813 [0,0,0,0,1,0|1,0,0]=2 191 B6R0.3 C[C@@H](CN)C(=O)O AMY22008 [0,0,0,0,1,0|1,0,0]=2 192 B6R0.3 C[C@@H](CO)C(=O)O AMY18825 [0,0,0,0,1,0|1,0,0]=2 193 B6R0.3 C[C@H](C#N)C(=O)O AMY19783 [0,0,0,0,1,0|1,0,1]=3 194 B6R0.3 C\C=C(/C)C(C)=O AMY4030 [0,0,0,0,1,0|1,0,2]=4 195 B6R0.3 C\C=C(\C)C(=O)O AMY19230 [0,0,0,0,1,0|0,0,2]=3 196 B6R0.3 NC(=O)C(N)CO AM806435 [0,0,0,0,1,0|3,0,0]=4 197 B6R0.3 NC(=O)[C@@H](N)CO AM20100594 [0,0,0,0,1,0|3,0,0]=4 198 B6R0.3 NC[C@H](N)C(=O)O AM20080367 [0,0,0,0,1,0|2,0,0]=3 199 B6R0.3 NC[C@H](N)C(=O)O AM20100354 [0,0,0,0,1,0|2,0,0]=3 200 B6R0.3 NC[C@H](N)C(=O)O AM20100470 [0,0,0,0,1,0|2,0,0]=3 201 B6R0.3 NC[C@H](O)C(=O)O AM1113 [0,0,0,0,1,0|2,0,0]=3 202 B6R0.3 NC[C@H](O)C(=O)O AM82574 [0,0,0,0,1,0|2,0,0]=3 203 B6R0.3 N[C@@H](CCl)C(=O)O AMY22074 [0,0,0,0,1,0|2,0,0]=3 204 B6R0.3 N[C@@H](CCl)C(=O)O AMY22075 [0,0,0,0,1,0|2,0,0]=3 205 B6R0.3 N[C@@H](CO)C(=O)O AM20090412 [0,0,0,0,1,0|2,0,0]=3 206 B6R0.3 N[C@@H](CO)C(=O)O AM20090441 [0,0,0,0,1,0|2,0,0]=3 207 B6R0.3 N[C@@H](CO)C(=O)O AM20100375 [0,0,0,0,1,0|2,0,0]=3 208 B6R0.3 N[C@@H](CS)C(=O)O AM20070682 [0,0,0,0,1,0|2,0,0]=3 209 B6R0.3 N[C@@H](CS)C(=O)O AM81647 [0,0,0,0,1,0|2,0,0]=3 210 B6R0.3 N[C@@H](CS)C(=O)O AM81648 [0,0,0,0,1,0|2,0,0]=3 211 B6R0.3 N[C@@H](CS)C(=O)O AM81649 [0,0,0,0,1,0|2,0,0]=3 212 B6R0.3 N[C@@H](CS)C(=O)O AM81651 [0,0,0,0,1,0|2,0,0]=3 213 B6R0.3 N[C@H](CCl)C(=O)O AMY19767 [0,0,0,0,1,0|2,0,0]=3 214 B6R0.3 O=C(O)C(=O)CBr AM84337 [0,0,0,0,1,0|2,0,1]=4 215 B6R0.3 O=C(O)[C@@H](Br)CBr AM20100466 [0,0,0,0,1,0|2,0,0]=3 216 B8R0.9 C=C[C@@H](N)CCC(=O)O AMY6474 [0,0,0,0,0,1|1,0,2]=4 217 B8R0.9 CC=C(C)C=CC(=O)O AM806492 [0,0,0,0,0,1|0,0,3]=4 218 B8R0.9 CCC(=O)CCC(=O)O AMY30226 [0,0,0,0,0,1|1,0,1]=3 219 B8R0.9 CCC(=O)COC(C)=O AM20080565 [0,0,0,0,0,1|2,0,1]=4 220 B8R0.9 COC(=O)CCC(=O)O AM20100028 [0,0,0,0,0,1|2,0,1]=4 221 B8R0.9 NCC(=O)CCC(=O)O AM20100341 [0,0,0,0,0,1|2,0,1]=4 222 B8R0.9 NCC(=O)NCC(=O)O AMY25302 [0,0,0,0,0,1|2,0,1]=4 223 B5R0.1 C#CCC(=O)O AMY19285 [2,0,0,0,0,0|0,0,2]=4 224 B5R0.1 C=CC[C@H](C)N AM9152 [2,0,0,0,0,0|2,0,0]=4 225 B5R0.1 C=CC[C@H](C)O AM804193 [2,0,0,0,0,0|2,0,0]=4 226 B5R0.1 CC#CC(=O)O AM90222 [2,0,0,0,0,0|0,0,2]=4 227 B5R0.1 CC(=O)CCO AMY31061 [2,0,0,0,0,0|2,0,0]=4 228 B5R0.1 CC(C)=CC=O AMY42093 [2,0,0,0,0,0|0,0,2]=4 229 B5R0.1 CC(C)CNN AM806328 [2,0,0,0,0,0|2,0,0]=4 230 B5R0.1 CC(C)CNN AM9787 [2,0,0,0,0,0|2,0,0]=4 231 B5R0.1 CC(C)CON AMY31434 [2,0,0,0,0,0|2,0,0]=4 232 B5R0.1 CC(C)\C=N\O AMY37290 [2,0,0,0,0,0|1,0,1]=4 233 B5R0.1 CCCB(O)O AMY987 [2,0,0,0,0,0|1,0,1]=4 234 B5R0.1 CCCC(=N)N AM802888 [2,0,0,0,0,0|2,0,0]=4 235 B5R0.1 CCCC(=N)N AMY2389 [2,0,0,0,0,0|2,0,0]=4 236 B5R0.1 CCCC(C)=O AMY25524 [2,0,0,0,0,0|1,0,0]=3 237 B5R0.1 CCOC(N)=O AM20100253 [2,0,0,0,0,0|2,0,0]=4 238 B5R0.1 CNCC(=O)O AM20080021 [2,0,0,0,0,0|1,0,0]=3 239 B5R0.1 CNCC(C)=O AM806508 [2,0,0,0,0,0|2,0,0]=4 240 B5R0.1 CNCC(N)=O AM82642 [2,0,0,0,0,0|2,0,0]=4 241 B5R0.1 COCC(=O)Cl AMY40728 [2,0,0,0,0,0|2,0,0]=4 242 B5R0.1 COCC(=O)O AMY4059 [2,0,0,0,0,0|1,0,0]=3 243 B5R0.1 CSCC(N)=O AMY10906 [2,0,0,0,0,0|2,0,0]=4 244 B5R0.1 C[C@@H](O)CCO AMY25740 [2,0,0,0,0,0|1,0,1]=4 245 B5R0.1 C[C@H](N)CCO AM84886 [2,0,0,0,0,0|1,0,1]=4 246 B5R0.1 C[C@H](N)CCO AM9719 [2,0,0,0,0,0|1,0,1]=4 247 B5R0.1 C[C@H](N)CCO AMY409 [2,0,0,0,0,0|1,0,1]=4 248 B5R0.1 C\C=C\C(=O)O AMY11255 [2,0,0,0,0,0|0,0,2]=4 249 B5R0.1 NCCC(=O)O AM20080020 [2,0,0,0,0,0|1,0,0]=3 250 B5R0.1 NCCC(=O)O AMY22128 [2,0,0,0,0,0|1,0,0]=3 251 B5R0.1 NCCC(N)=O AM20100576 [2,0,0,0,0,0|2,0,0]=4 252 B5R0.1 NCCC(N)=O AMY6958 [2,0,0,0,0,0|2,0,0]=4 253 B5R0.1 NNCC(=O)O AMY202100023 [2,0,0,0,0,0|2,0,0]=4 254 B5R0.1 NOCC(=O)O AMY19484 [2,0,0,0,0,0|2,0,0]=4 255 B5R0.1 O=C(Cl)CCBr AM90184 [2,0,0,0,0,0|2,0,0]=4 256 B5R0.1 O=C(O)CCBr AM20100434 [2,0,0,0,0,0|1,0,0]=3 257 B5R0.1 O=C(O)CCF AM803932 [2,0,0,0,0,0|1,0,0]=3 258 B5R0.1 O=C(O)CCO AM85796 [2,0,0,0,0,0|1,0,0]=3 259 B5R0.1 O=C(O)CCS AMY27767 [2,0,0,0,0,0|1,0,0]=3 260 B5R0.2 C#CCCCC AMY1242 [2,0,0,0,0,0|1,0,1]=4 261 B5R0.2 C=CCCCBr AM20080066 [2,0,0,0,0,0|2,0,0]=4 262 B5R0.2 C=CCCCO AMY41353 [2,0,0,0,0,0|2,0,0]=4 263 B5R0.2 CCCCCBr AMY9378 [2,0,0,0,0,0|1,0,1]=4 264 B5R0.2 CCCCCC AMY22305 [2,0,0,0,0,0|1,0,1]=4 265 B5R0.2 CCCCCN AMY21878 [2,0,0,0,0,0|1,0,1]=4 266 B5R0.2 CCCCCS AMY19243 [2,0,0,0,0,0|0,1,1]=4 267 B5R0.2 CCCCNN AMY202003284 [2,0,0,0,0,0|2,0,0]=4 268 B5R0.2 COCCCO AM20080231 [2,0,0,0,0,0|1,0,1]=4 269 B5R0.2 N#CCCC=O AMY9205 [2,0,0,0,0,0|1,0,1]=4 270 B5R0.2 NCCCCO AMY17788 [2,0,0,0,0,0|1,0,1]=4 271 B5R0.2 O=CCCC=O AMY18777 [2,0,0,0,0,0|1,0,1]=4 272 B5R0.3 C=C[C@@H](O)CC AMY851 [2,0,0,0,0,0|1,0,1]=4 273 B5R0.3 CC(CBr)CBr AMY21213 [2,0,0,0,0,0|2,0,0]=4 274 B5R0.3 CC(CI)CI AMY32062 [2,0,0,0,0,0|2,0,0]=4 275 B5R0.3 CCC(N)CC AMY4054 [2,0,0,0,0,0|1,0,1]=4 276 B5R0.3 CCN(C)CC AMY13336 [2,0,0,0,0,0|1,0,1]=4 277 B5R0.3 CC[C@@H](N)CO AM85835 [2,0,0,0,0,0|1,0,0]=3 278 B5R0.3 CC[C@@H](O)CN AMY6653 [2,0,0,0,0,0|2,0,0]=4 279 B5R0.3 CC[C@@H](O)CO AMY40578 [2,0,0,0,0,0|1,0,0]=3 280 B5R0.3 CC[C@H](Br)CBr AMY31902 [2,0,0,0,0,0|2,0,0]=4 281 B5R0.3 CC[C@H](C)CBr AMY28688 [2,0,0,0,0,0|1,0,0]=3 282 B5R0.3 CC[C@H](C)NN AM803011 [2,0,0,0,0,0|2,0,0]=4 283 B5R0.3 CC[C@H](C)NN AM9772 [2,0,0,0,0,0|2,0,0]=4 284 B5R0.3 CC[C@H](N)CO AM85834 [2,0,0,0,0,0|1,0,0]=3 285 B5R0.3 CC[C@H](N)CO AM85988 [2,0,0,0,0,0|1,0,0]=3 286 B5R0.3 CC[C@H](O)CO AMY40584 [2,0,0,0,0,0|1,0,0]=3 287 B5R0.3 CC\C(C)=N\O AM90385 [2,0,0,0,0,0|1,0,1]=4 288 B5R0.3 CO[C@@H](C)CN AMY21775 [2,0,0,0,0,0|2,0,0]=4 289 B5R0.3 C[C@@H](CO)CBr AMY14347 [2,0,0,0,0,0|1,0,0]=3 290 B5R0.3 NC(CO)CO AM20100310 [2,0,0,0,0,0|2,0,0]=4 291 B5R0.3 NC[C@H](F)CO AMY34391 [2,0,0,0,0,0|2,0,0]=4 292 B5R0.3 NC[C@H](O)CO AM20100501 [2,0,0,0,0,0|2,0,0]=4 293 B5R0.3 NC[C@H](O)CO AM20100602 [2,0,0,0,0,0|2,0,0]=4 294 B5R0.3 NC[C@H](O)CO AMY18546 [2,0,0,0,0,0|2,0,0]=4 295 B5R0.3 OC[C@H](Br)CBr AMY25826 [2,0,0,0,0,0|2,0,0]=4 296 B5R0.3 OC[C@H](O)CCl AM81448 [2,0,0,0,0,0|2,0,0]=4 297 B5R0.3 OC[C@H](O)CCl AM81449 [2,0,0,0,0,0|2,0,0]=4 298 B5R0.3 OC[C@H](O)CCl AMY21866 [2,0,0,0,0,0|2,0,0]=4 299 B7R0.5 CC(C)N(C)CCO AMY9192 [1,1,0,0,0,0|1,0,1]=4 300 B7R0.5 CC(C)[C@@H](N)CCO AMY20244 [1,1,0,0,0,0|1,0,1]=4 301 B7R0.7 CCC[C@H](N)CCO AM20100578 [1,1,0,0,0,0|1,0,1]=4 302 B7R0.7 CCOC(=O)CC=O AMY18659 [1,1,0,0,0,0|1,0,1]=4 303 B7R0.10 CC[C@@H](C)[C@@H](N)CO AM20090276 [1,1,0,0,0,0|0,0,1]=3 304 B7R0.12 COC(CCO)OC AMY38618 [1,1,0,0,0,0|1,0,1]=4 305 B7R0.9 CC(=O)OC(C)(C)C AMY11033 [1,1,0,0,0,0|2,0,0]=4 306 B7R0.9 CC(C)(C)CB(O)O AMY054 [1,1,0,0,0,0|1,0,1]=4 307 B7R0.9 CC(C)(C)CC(=O)O AM20080023 [1,1,0,0,0,0|0,0,0]=2 308 B7R0.9 CC(C)(C)OC(N)=O AM20100123 [1,1,0,0,0,0|2,0,0]=4 309 B7R0.9 CC(C)(N)CC(=O)O AM20100529 [1,1,0,0,0,0|0,0,0]=2 310 B7R0.9 CC(C)(N)CC(=O)O AMY115 [1,1,0,0,0,0|0,0,0]=2 311 B7R0.9 CC(C)(N)CC(N)=O AMY120 [1,1,0,0,0,0|1,0,0]=3 312 B7R0.9 CC(C)(O)CC(=O)[O-] AMY39074 [1,1,0,0,0,0|0,0,1]=3 313 B7R0.9 CC(C)CC(C)(C)O AMY25737 [1,1,0,0,0,0|1,0,1]=4 314 B7R0.9 CC(C)CS(=O)(=O)Cl AMY3057 [1,1,0,0,0,0|1,0,1]=4 315 B7R0.9 CC(F)(F)CC(=O)O AMY6154 [1,1,0,0,0,0|1,0,0]=3 316 B7R0.9 CS(=O)(=O)CC(=O)O AMY14249 [1,1,0,0,0,0|2,0,0]=4 317 B7R0.9 C[N+](C)(C)CC(=O)[O-] AM90357 [1,1,0,0,0,0|1,0,1]=4 318 B7R0.9 C[N+](C)(C)CC(=O)[O-] AMY22129 [1,1,0,0,0,0|1,0,1]=4 319 B7R0.9 O=C(O)CC(F)(F)F AMY6809 [1,1,0,0,0,0|2,0,0]=4 320 B7R0.16 C=C(C)[C@@H](N)C(=O)O AMY23937 [1,1,0,0,0,0|0,0,2]=4 321 B7R0.16 CC(C)C(=O)C(=O)[O-] AMY37099 [1,1,0,0,0,0|0,0,2]=4 322 B7R0.16 CC(C)[C@H](Br)C(=O)O AMY13608 [1,1,0,0,0,0|0,0,0]=2 323 B7R0.16 CC(C)[C@H](Cl)C(=O)O AM9806 [1,1,0,0,0,0|0,0,0]=2 324 B7R0.16 CC(C)[C@H](N)C(=O)O AM82362 [1,1,0,0,0,0|0,0,0]=2 325 B7R0.16 CC(C)[C@H](N)C(=O)O AM82363 [1,1,0,0,0,0|0,0,0]=2 326 B7R0.16 CC(C)[C@H](N)C(=O)O AM82364 [1,1,0,0,0,0|0,0,0]=2 327 B7R0.16 CC(C)[C@H](N)C(N)=O AM82387 [1,1,0,0,0,0|1,0,0]=3 328 B7R0.16 CC(C)[C@H](O)C(=O)O AMY22056 [1,1,0,0,0,0|0,0,0]=2 329 B7R0.16 CC(O)C(N)C(=O)O AMY25310 [1,1,0,0,0,0|1,0,0]=3 330 B7R0.16 CN(C)C(=O)C(=O)O AM20090487 [1,1,0,0,0,0|1,0,1]=4 331 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O AM20100684 [1,1,0,0,0,0|1,0,0]=3 332 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O AM82240 [1,1,0,0,0,0|1,0,0]=3 333 B7R0.16 C[C@@H](O)[C@H](N)C(N)=O AM82268 [1,1,0,0,0,0|2,0,0]=4 334 B7R0.16 C[C@H](O)[C@H](N)C(=O)O AM20090281 [1,1,0,0,0,0|1,0,0]=3 335 B7R0.16 C[C@H](O)[C@H](N)C(=O)O AM82272 [1,1,0,0,0,0|1,0,0]=3 336 B7R0.4 C#CCCCC(=O)O AM81010 [1,1,0,0,0,0|0,0,1]=3 337 B7R0.4 C=CCCCC(=O)O AMY759 [1,1,0,0,0,0|0,0,1]=3 338 B7R0.4 C=CCNCC(=O)O AMY22559 [1,1,0,0,0,0|0,0,2]=4 339 B7R0.4 CC(=O)CCCCCl AM90172 [1,1,0,0,0,0|1,0,0]=3 340 B7R0.4 CC(=O)NCCCN AMY36360 [1,1,0,0,0,0|2,0,0]=4 341 B7R0.4 CCCCC[C@@H](C)O AMY25723 [1,1,0,0,0,0|1,0,1]=4 342 B7R0.4 CCCCOC(C)=O AMY11075 [1,1,0,0,0,0|1,0,0]=3 343 B7R0.4 CCCOCC(=O)O AMY4018 [1,1,0,0,0,0|0,0,0]=2 344 B7R0.4 CCO\C=C\C(=O)O AMY9262 [1,1,0,0,0,0|0,0,2]=4 345 B7R0.4 CNCCCC(=O)O AMY5046 [1,1,0,0,0,0|0,0,0]=2 346 B7R0.4 CNCCOC(C)=O AMY15057 [1,1,0,0,0,0|2,0,0]=4 347 B7R0.4 N#CCCCC(=O)O AMY16028 [1,1,0,0,0,0|0,0,1]=3 348 B7R0.4 NC(=O)COCCCl AMY17904 [1,1,0,0,0,0|2,0,0]=4 349 B7R0.4 NCCCCC(=O)O AM82459 [1,1,0,0,0,0|0,0,0]=2 350 B7R0.4 NCCCCC(=O)O AMY39227 [1,1,0,0,0,0|0,0,0]=2 351 B7R0.4 O=C(Cl)CCCCBr AM85775 [1,1,0,0,0,0|1,0,0]=3 352 B7R0.4 O=C(Cl)CCCCCl AMY12305 [1,1,0,0,0,0|1,0,0]=3 353 B7R0.4 O=C(O)CCCCBr AM85660 [1,1,0,0,0,0|0,0,0]=2 354 B7R0.4 O=C(O)CCCCCl AMY40897 [1,1,0,0,0,0|0,0,0]=2 355 B7R0.4 O=C(O)COCCCl AMY28725 [1,1,0,0,0,0|1,0,0]=3 356 B7R0.4 [N-]=[N+]=NCCC(=O)O AMY21581 [1,1,0,0,0,0|2,0,0]=4 357 B7R0.6 CC(=O)CCC(=O)O AM20080171 [1,1,0,0,0,0|0,0,1]=3 358 B7R0.6 CC(=O)CCC(C)=O AMY25528 [1,1,0,0,0,0|1,0,1]=4 359 B7R0.6 CC(=O)NCC(=O)O AM81782 [1,1,0,0,0,0|1,0,1]=4 360 B7R0.6 CC(=O)OCC(=O)O AMY3826 [1,1,0,0,0,0|1,0,1]=4 361 B7R0.6 CC(C)CCB(O)O AM90168 [1,1,0,0,0,0|1,0,1]=4 362 B7R0.6 CC(C)CCC(=O)Cl AMY33518 [1,1,0,0,0,0|1,0,0]=3 363 B7R0.6 CC(C)NCC(=O)Cl AM87903 [1,1,0,0,0,0|2,0,0]=4 364 B7R0.6 CC(C)OCC(=O)O AMY4704 [1,1,0,0,0,0|1,0,0]=3 365 B7R0.6 CN(C)CCC(=O)O AM86616 [1,1,0,0,0,0|1,0,0]=3 366 B7R0.8 CCCCC(C)(O)O AMY1200 [1,1,0,0,0,0|0,0,2]=4 367 B7R0.8 NCCCP(=O)(O)O AM20080224 [1,1,0,0,0,0|2,0,0]=4 368 B7R0.8 NCCCS(=O)(=O)O AMY23443 [1,1,0,0,0,0|2,0,0]=4 369 B7R0.8 O=P(O)(O)CCCBr AMY31193 [1,1,0,0,0,0|2,0,0]=4 370 B7R0.8 O=S(=O)(O)CCCO AMY41222 [1,1,0,0,0,0|2,0,0]=4 371 B7R0.13 C#CC(C)(C)C(=O)O AMY39223 [0,1,0,0,1,0|0,0,2]=4 372 B7R0.13 CC(C)(C#N)C(=O)O AM807025 [0,1,0,0,1,0|1,0,1]=4 373 B7R0.13 CC(C)(CN)C(=O)O AMY286 [0,1,0,0,1,0|1,0,0]=3 374 B7R0.13 CC(C)(CN)C(N)=O AM20090472 [0,1,0,0,1,0|2,0,0]=4 375 B7R0.13 CC(C)(CO)C(=O)O AM90214 [0,1,0,0,1,0|1,0,0]=3 376 B7R0.13 CCC(C)(C)C(=O)Cl AMY25715 [0,1,0,0,1,0|1,0,0]=3 377 B7R0.13 CCC(F)(F)C(=O)O AMY6073 [0,1,0,0,1,0|1,0,0]=3 378 B7R0.13 CC[C@@](C)(N)C(=O)O AM10160 [0,1,0,0,1,0|0,0,0]=2 379 B7R0.13 CC[C@](C)(N)C(=O)O AM10150 [0,1,0,0,1,0|0,0,0]=2 380 B7R0.13 CC[C@](C)(N)C(=O)O AM85837 [0,1,0,0,1,0|0,0,0]=2 381 B7R0.13 C[C@](Br)(CBr)C(=O)O AMY799 [0,1,0,0,1,0|1,0,0]=3 382 B7R0.13 C[C@](O)(CBr)C(=O)O AMY38140 [0,1,0,0,1,0|1,0,0]=3 383 B7R0.13 NCC(F)(F)C(=O)O AMY25033 [0,1,0,0,1,0|2,0,0]=4 384 B7R0.15 CCC(CC)C(=O)[O-] AMY41123 [0,1,0,0,1,0|0,0,1]=3 385 B7R0.15 CCN(CC)C(=O)Cl AMY25807 [0,1,0,0,1,0|2,0,0]=4 386 B7R0.15 CC[C@H](NC)C(=O)O AM9485 [0,1,0,0,1,0|0,0,0]=2 387 B7R0.15 CN[C@@H](CO)C(=O)O AM9151 [0,1,0,0,1,0|1,0,0]=3 388 B7R0.15 CN[C@@H](CO)C(=O)O AM9254 [0,1,0,0,1,0|1,0,0]=3 389 B7R0.15 CN[C@@H](CS)C(=O)O AM9159 [0,1,0,0,1,0|1,0,0]=3 390 B7R0.15 CN[C@@H](CS)C(=O)O AM9312 [0,1,0,0,1,0|1,0,0]=3 391 B7R0.15 O=C(O)C(CBr)CBr AMY15543 [0,1,0,0,1,0|1,0,0]=3 392 B9R0.7 C[C@H](Cl)C(=O)NCC(=O)O AMY10265 [0,1,0,0,0,1|1,0,1]=4 393 B9R0.7 C[C@H](S)C(=O)NCC(=O)O AMY39003 [0,1,0,0,0,1|1,0,1]=4 394 B9R0.24 CCC(=O)CCC(=O)OC AMY30255 [0,1,0,0,0,1|1,0,1]=4 395 B9R0.43 CCN(CC)CCC(=O)O AMY16098 [0,1,0,0,0,1|1,0,0]=3 396 B9R0.43 CCN(CC)CCC(C)=O AMY19297 [0,1,0,0,0,1|2,0,0]=4 397 B9R0.27 CCC(=O)[C@H](F)C(=O)OC AM62556 [0,2,0,0,0,0|1,0,1]=4 398 B9R0.27 CC[C@H](C)[C@H](N)C(=O)OC AM81854 [0,2,0,0,0,0|0,0,0]=2 399 B9R0.27 CC[C@H](C)[C@H](N)C(=O)OC AMY13603 [0,2,0,0,0,0|0,0,0]=2 400 B9R0.27 COC(=O)[C@@H](Br)[C@H](O)CBr AMY19632 [0,2,0,0,0,0|2,0,0]=4 401 B9R0.28 CC[C@H](O)C(F)(F)C(=O)O AMY7074 [0,2,0,0,0,0|1,0,0]=3 402 B9R0.29 CC[C@H](C)[C@H](NC)C(=O)O AM81857 [0,2,0,0,0,0|0,0,0]=2 403 B9R0.29 CC[C@H](C)[C@H](NC)C(=O)O AM9402 [0,2,0,0,0,0|0,0,0]=2 404 B9R0.79 CC(C(=O)O)[C@H](N)C(=O)O AMY25962 [0,2,0,0,0,0|1,0,1]=4 405 B9R0.79 CC(C)[C@@H](O)[C@H](N)C(=O)O AM84304 [0,2,0,0,0,0|1,0,0]=3 406 B9R0.4 C=CCC\C(C)=C/C(=O)O AMY14986 [0,2,0,0,0,0|0,0,2]=4 407 B9R0.34 CCOC(=O)C[C@H](O)CCl AM81437 [0,2,0,0,0,0|2,0,0]=4 408 B9R0.34 CCOC(=O)C[C@H](O)CCl AM81438 [0,2,0,0,0,0|2,0,0]=4 409 B9R0.34 CCOC(=O)C[C@H](O)CCl AMY22171 [0,2,0,0,0,0|2,0,0]=4 410 B9R0.34 COCC(=O)CC(=O)OC AMY38262 [0,2,0,0,0,0|1,0,1]=4 411 B9R0.53 CC(C)C[C@H](N)CC(=O)O AM20090584 [0,2,0,0,0,0|1,0,0]=3 412 B9R0.53 CC(C)C[C@H](N)CC(=O)O AMY14352 [0,2,0,0,0,0|1,0,0]=3 413 B9R0.53 CC(CC(=O)O)CC(=O)O AMY4060 [0,2,0,0,0,0|0,0,1]=3 414 B9R0.53 CN(CC(=O)O)CC(=O)O AMY25152 [0,2,0,0,0,0|1,0,1]=4 415 B9R0.53 O=C(O)CC(O)CC(=O)O AMY4070 [0,2,0,0,0,0|1,0,1]=4 416 B9R0.58 CCC[C@](C)(O)CC(=O)O AMY27843 [0,2,0,0,0,0|0,0,0]=2 417 B9R0.26 COC(=O)CC(OC)OC AMY7037 [0,2,0,0,0,0|1,0,0]=3 418 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O AM81641 [0,2,0,0,0,0|1,0,1]=4 419 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O AM9319 [0,2,0,0,0,0|1,0,1]=4 420 B9R0.10 CN(CC(=O)O)S(C)(=O)=O AMY20607 [0,2,0,0,0,0|2,0,0]=4 421 B9R0.10 O=C(O)C[C@@H](O)C(F)(F)F AMY20003 [0,2,0,0,0,0|2,0,0]=4 422 B9R0.11 CC(C)(CC(=O)O)C(=O)O AM20100456 [0,2,0,0,0,0|1,0,1]=4 423 B7R1.1 BrC[C@H]1CCOC1 AM20080466 [1,0,0,1,0,0|1,0,1]=4 424 B7R1.1 CC[C@@H]1CCNC1 AMY34410 [1,0,0,1,0,0|1,0,1]=4 425 B7R1.1 CC[C@H]1CCNC1 AMY34423 [1,0,0,1,0,0|1,0,1]=4 426 B7R1.1 CN[C@@H]1CCOC1 AMY37512 [1,0,0,1,0,0|1,0,1]=4 427 B7R1.1 CN[C@H]1CCOC1 AM20120293 [1,0,0,1,0,0|1,0,1]=4 428 B7R1.1 CN[C@H]1CCOC1 AMY34214 [1,0,0,1,0,0|1,0,1]=4 429 B7R1.1 CN[C@H]1CCOC1 AMY37563 [1,0,0,1,0,0|1,0,1]=4 430 B7R1.1 IC[C@H]1CCOC1 AMY33647 [1,0,0,1,0,0|1,0,1]=4 431 B7R1.1 NC[C@H]1CCOC1 AM20070698 [1,0,0,1,0,0|1,0,1]=4 432 B7R1.1 NC[C@H]1CCOC1 AM20070699 [1,0,0,1,0,0|1,0,1]=4 433 B7R1.1 NC[C@H]1CCOC1 AM20080467 [1,0,0,1,0,0|1,0,1]=4 434 B7R1.1 NC[C@H]1CCOC1 AM20090079 [1,0,0,1,0,0|1,0,1]=4 435 B7R1.1 OCC1CC=CC1 AM20090293 [1,0,0,1,0,0|2,0,0]=4 436 B7R1.1 OC[C@H]1CCOC1 AM20080182 [1,0,0,1,0,0|1,0,1]=4 437 B7R1.1 OC[C@H]1CCOC1 AM20080421 [1,0,0,1,0,0|1,0,1]=4 438 B7R1.1 OC[C@H]1CCOC1 AMY23730 [1,0,0,1,0,0|1,0,1]=4 439 B7R1.2 CN1CCC(=O)C1 AM20100632 [1,0,0,1,0,0|1,0,0]=3 440 B7R1.2 CN1CCC(=O)C1 AMY25051 [1,0,0,1,0,0|1,0,0]=3 441 B7R1.2 CN1CC[C@@H](O)C1 AMY6896 [1,0,0,1,0,0|1,0,1]=4 442 B7R1.2 CN1CC[C@H](O)C1 AM20080233 [1,0,0,1,0,0|1,0,1]=4 443 B7R1.2 CN1CC[C@H](O)C1 AMY30559 [1,0,0,1,0,0|1,0,1]=4 444 B7R1.2 C[C@@H]1CCC(=O)N1 AMY37338 [1,0,0,1,0,0|1,0,0]=3 445 B7R1.2 C[C@@H]1CNC(=O)C1 AMY34987 [1,0,0,1,0,0|1,0,0]=3 446 B7R1.2 C[C@@H]1C[C@H](O)CN1 AMY19216 [1,0,0,1,0,0|1,0,1]=4 447 B7R1.2 C[C@H]1CCC(=O)C1 AMY3874 [1,0,0,1,0,0|0,0,0]=2 448 B7R1.2 C[C@H]1CCC(=O)N1 AMY23794 [1,0,0,1,0,0|1,0,0]=3 449 B7R1.2 C[C@H]1CNC(=O)C1 AMY35747 [1,0,0,1,0,0|1,0,0]=3 450 B7R1.2 C[C@H]1CNC(=O)O1 AMY3772 [1,0,0,1,0,0|2,0,0]=4 451 B7R1.2 C[C@H]1C[C@@H](O)CN1 AMY19265 [1,0,0,1,0,0|1,0,1]=4 452 B7R1.2 C[C@H]1C[C@H](O)CN1 AMY19218 [1,0,0,1,0,0|1,0,1]=4 453 B7R1.2 NC1CCC(O)C1 AMY19619 [1,0,0,1,0,0|1,0,1]=4 454 B7R1.2 N[C@@H]1CC[C@@H](O)C1 AMY19602 [1,0,0,1,0,0|1,0,1]=4 455 B7R1.2 N[C@@H]1CC[C@H](O)C1 AM802861 [1,0,0,1,0,0|1,0,1]=4 456 B7R1.2 N[C@@H]1CNC(=O)C1 AMY34929 [1,0,0,1,0,0|2,0,0]=4 457 B7R1.2 N[C@@H]1COC(=O)C1 AMY22231 [1,0,0,1,0,0|2,0,0]=4 458 B7R1.2 N[C@H]1CC[C@@H](O)C1 AMY12396 [1,0,0,1,0,0|1,0,1]=4 459 B7R1.2 N[C@H]1CC[C@@H](O)C1 AMY12405 [1,0,0,1,0,0|1,0,1]=4 460 B7R1.2 N[C@H]1CC[C@H](O)C1 AM804591 [1,0,0,1,0,0|1,0,1]=4 461 B7R1.2 N[C@H]1CC[C@H](O)C1 AMY19540 [1,0,0,1,0,0|1,0,1]=4 462 B7R1.2 N[C@H]1COC(=O)C1 AMY18836 [1,0,0,1,0,0|2,0,0]=4 463 B7R1.2 O=C1CCC(=O)C1 AM20100026 [1,0,0,1,0,0|1,0,1]=4 464 B7R1.2 O=C1CC[C@H](O)C1 AMY33737 [1,0,0,1,0,0|1,0,0]=3 465 B7R1.2 O=C1C[C@H](O)CN1 AM20090229 [1,0,0,1,0,0|2,0,0]=4 466 B7R1.2 O=C1C[C@H](O)CN1 AM20100631 [1,0,0,1,0,0|2,0,0]=4 467 B7R1.2 O=C1C[C@H](O)CN1 AMY22949 [1,0,0,1,0,0|2,0,0]=4 468 B7R1.2 O=C1C[C@H](O)CO1 AMY4221 [1,0,0,1,0,0|2,0,0]=4 469 B7R1.2 OC1CCC(O)C1 AMY33501 [1,0,0,1,0,0|1,0,1]=4 470 B7R1.3 BrC1CCOCC1 AM90079 [1,0,0,1,0,0|1,0,1]=4 471 B7R1.3 CC1CCNCC1 AMY23280 [1,0,0,1,0,0|1,0,1]=4 472 B7R1.3 CC1CCOCC1 AMY6168 [1,0,0,1,0,0|0,0,1]=3 473 B7R1.3 CN1CCOCC1 AMY14818 [1,0,0,1,0,0|1,0,1]=4 474 B7R1.3 C[C@H]1CCCNC1 AM86032 [1,0,0,1,0,0|2,0,0]=4 475 B7R1.3 C[C@H]1CCCNC1 AM86033 [1,0,0,1,0,0|2,0,0]=4 476 B7R1.3 C[C@H]1CCCNC1 AMY5569 [1,0,0,1,0,0|2,0,0]=4 477 B7R1.3 ClC1CCOCC1 AM794 [1,0,0,1,0,0|1,0,1]=4 478 B7R1.3 Cl[C@@H]1CC=CCC1 AMY13656 [1,0,0,1,0,0|2,0,0]=4 479 B7R1.3 FC1CCOCC1 AM100580 [1,0,0,1,0,0|1,0,1]=4 480 B7R1.3 IC1CCOCC1 AM20090312 [1,0,0,1,0,0|1,0,1]=4 481 B7R1.3 NC1CCOCC1 AM20090495 [1,0,0,1,0,0|1,0,1]=4 482 B7R1.3 NC1CCOCC1 AM20100013 [1,0,0,1,0,0|1,0,1]=4 483 B7R1.3 NC1CCOCC1 AM669 [1,0,0,1,0,0|1,0,1]=4 484 B7R1.3 OC1CCOCC1 AM20090170 [1,0,0,1,0,0|1,0,1]=4 485 B7R1.3 SC1CCOCC1 AM100476 [1,0,0,1,0,0|1,0,1]=4 486 B7R1.6 NCCC1CCC1 AMY34747 [1,0,0,1,0,0|1,0,1]=4 487 B7R1.6 OCCC1CCC1 AM807009 [1,0,0,1,0,0|0,0,1]=3 488 B7R1.6 OCCC1COC1 AMY19718 [1,0,0,1,0,0|1,0,1]=4 489 B7R1.6 OCCN1CCC1 AM806453 [1,0,0,1,0,0|1,0,1]=4 490 B7R1.6 OCCN1CCC1 AMY37413 [1,0,0,1,0,0|1,0,1]=4 491 B7R1.9 NC[C@@H]1C[C@H]1CO AMY37214 [1,0,0,1,0,0|1,0,1]=4 492 B7R1.10 C=C1CC(CBr)C1 AM84291 [1,0,0,1,0,0|2,0,0]=4 493 B7R1.10 C=C1CC(CN)C1 AM84290 [1,0,0,1,0,0|2,0,0]=4 494 B7R1.10 C=C1CC(CO)C1 AM84289 [1,0,0,1,0,0|2,0,0]=4 495 B7R1.10 CCN1CC(O)C1 AM803775 [1,0,0,1,0,0|1,0,1]=4 496 B7R1.10 CNC1CC(O)C1 AMY33649 [1,0,0,1,0,0|1,0,1]=4 497 B7R1.10 COC1CC(O)C1 AMY41129 [1,0,0,1,0,0|1,0,1]=4 498 B7R1.10 N#CC1CC(=O)C1 AM20070603 [1,0,0,1,0,0|1,0,1]=4 499 B7R1.10 NCC1CC(O)C1 AMY33634 [1,0,0,1,0,0|1,0,1]=4 500 B7R1.10 NC[C@H]1C[C@@H](O)C1 AM20070628 [1,0,0,1,0,0|1,0,1]=4 501 B7R1.10 O=C1CC(CBr)C1 AM85778 [1,0,0,1,0,0|1,0,0]=3 502 B7R1.10 O=C1CC(CF)C1 AM84266 [1,0,0,1,0,0|1,0,0]=3 503 B7R1.10 O=C1CC(CO)C1 AM20070600 [1,0,0,1,0,0|1,0,0]=3 504 B7R1.10 OCC1CC(O)C1 AM85526 [1,0,0,1,0,0|1,0,1]=4 505 B7R1.25 C[C@]1(CO)CCO1 AMY5672 [1,0,0,1,0,0|1,0,1]=4 506 B7R1.12 CC1CC1C(=O)O AM803649 [1,0,0,1,0,0|0,0,0]=2 507 B7R1.12 CC1CC1C(N)=O AMY5644 [1,0,0,1,0,0|1,0,0]=3 508 B7R1.12 C[C@@H]1C[C@H]1C(=O)O AMY35644 [1,0,0,1,0,0|0,0,0]=2 509 B7R1.12 O=C(O)C1CC1F AMY5778 [1,0,0,1,0,0|1,0,0]=3 510 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F AMY5475 [1,0,0,1,0,0|1,0,0]=3 511 B7R1.12 O=C(O)[C@H]1C[C@@H]1F AM85620 [1,0,0,1,0,0|1,0,0]=3 512 B7R1.12 O=C(O)[C@H]1C[C@@H]1F AM85621 [1,0,0,1,0,0|1,0,0]=3 513 B7R1.12 O=C(O)[C@H]1C[C@H]1F AM85536 [1,0,0,1,0,0|1,0,0]=3 514 B7R1.12 O=C(O)[C@H]1C[C@H]1I AMY5812 [1,0,0,1,0,0|1,0,0]=3 515 B7R1.20 CC(=O)CC1CC1 AM20100099 [1,0,0,1,0,0|1,0,0]=3 516 B7R1.20 O=C(O)CC1CC1 AM20100289 [1,0,0,1,0,0|0,0,0]=2 517 B7R1.14 CC1(O)CCCC1 AMY25573 [1,0,0,1,0,0|1,0,1]=4 518 B7R1.14 O=S1(=O)CCCC1 AMY33385 [1,0,0,1,0,0|1,0,1]=4 519 B7R1.18 C[C@H](O)C1CCC1 AMY16099 [1,0,0,1,0,0|1,0,1]=4 520 B7R1.18 NC(=O)C1CCC1 AMY32785 [1,0,0,1,0,0|1,0,0]=3 521 B7R1.18 NC(=O)C1CNC1 AM20100716 [1,0,0,1,0,0|2,0,0]=4 522 B7R1.18 NC(=O)C1CNC1 AMY34027 [1,0,0,1,0,0|2,0,0]=4 523 B7R1.18 NC(=O)[C@@H]1CCN1 AMY38555 [1,0,0,1,0,0|2,0,0]=4 524 B7R1.18 O=C(O)C1CCC1 AM62800 [1,0,0,1,0,0|0,0,0]=2 525 B7R1.18 O=C(O)C1CNC1 AM20090582 [1,0,0,1,0,0|1,0,0]=3 526 B7R1.18 O=C(O)C1CNC1 AMY4825 [1,0,0,1,0,0|1,0,0]=3 527 B7R1.18 O=C(O)C1COC1 AM84264 [1,0,0,1,0,0|1,0,0]=3 528 B7R1.18 O=C(O)C1CSC1 AM20100754 [1,0,0,1,0,0|1,0,0]=3 529 B7R1.18 O=C(O)[C@@H]1CCN1 AM20090145 [1,0,0,1,0,0|1,0,0]=3 530 B7R1.18 O=C(O)[C@@H]1CCN1 AM20090185 [1,0,0,1,0,0|1,0,0]=3 531 B7R1.18 O=C(O)[C@@H]1CCN1 AM20100766 [1,0,0,1,0,0|1,0,0]=3 532 B7R1.18 O=C(O)[C@@H]1CCO1 AM20020050 [1,0,0,1,0,0|1,0,0]=3 533 B7R1.18 O=[N+]([O-])C1CCC1 AMY18168 [1,0,0,1,0,0|1,0,1]=4 534 B7R1.18 OB(O)C1CCC1 AMY30001 [1,0,0,1,0,0|1,0,1]=4 535 B7R1.19 CC(=O)C1(C)CC1 AMY37296 [0,0,0,1,1,0|1,0,0]=3 536 B7R1.19 CC(=O)C1(Cl)CC1 AMY11210 [0,0,0,1,1,0|2,0,0]=4 537 B7R1.19 CC1(C(=O)O)CC1 AM804235 [0,0,0,1,1,0|0,0,0]=2 538 B7R1.19 NC(=O)C1(Br)CC1 AMY942 [0,0,0,1,1,0|2,0,0]=4 539 B7R1.19 NC1(C(=O)O)CC1 AM20090214 [0,0,0,1,1,0|1,0,0]=3 540 B7R1.19 NC1(C(=O)O)CC1 AMY940 [0,0,0,1,1,0|1,0,0]=3 541 B7R1.19 O=C(O)C1(Br)CC1 AMY1023 [0,0,0,1,1,0|1,0,0]=3 542 B7R1.19 O=C(O)C1(F)CC1 AM803184 [0,0,0,1,1,0|1,0,0]=3 543 B7R1.19 O=C(O)C1(O)CC1 AM85636 [0,0,0,1,1,0|1,0,0]=3 544 B9R1.1 CCN1CCC(=O)CC1 AMY5271 [0,0,0,1,0,1|2,0,0]=4 545 B9R1.1 CNC1CCC(=O)CC1 AMY202100013 [0,0,0,1,0,1|2,0,0]=4 546 B9R1.1 COC1CCC(=O)CC1 AMY3589 [0,0,0,1,0,1|2,0,0]=4 547 B9R1.1 NC[C@H]1CCC(=O)NC1 AMY33863 [0,0,0,1,0,1|2,0,0]=4 548 B9R1.1 O=C1CCC(CO)CC1 AMY9066 [0,0,0,1,0,1|2,0,0]=4 549 B9R1.1 O=C1CO[C@@H](CO)CN1 AMY21703 [0,0,0,1,0,1|2,0,0]=4 550 B9R1.35 CC(=O)N1CC[C@H](Br)C1 AM95037 [0,0,0,1,0,1|2,0,0]=4 551 B9R1.35 CC(=O)N1CC[C@H](Br)C1 AM96640 [0,0,0,1,0,1|2,0,0]=4 552 B9R1.35 CC(=O)N1CC[C@H](Br)C1 AM96910 [0,0,0,1,0,1|2,0,0]=4 553 B9R1.35 CC(=O)N1CC[C@H](Cl)C1 AM91958 [0,0,0,1,0,1|2,0,0]=4 554 B9R1.35 CC(=O)N1CC[C@H](Cl)C1 AM95359 [0,0,0,1,0,1|2,0,0]=4 555 B9R1.35 CC(=O)N1CC[C@H](Cl)C1 AM96637 [0,0,0,1,0,1|2,0,0]=4 556 B9R1.35 CC(=O)N1CC[C@H](I)C1 AM93701 [0,0,0,1,0,1|2,0,0]=4 557 B9R1.35 CC(=O)N1CC[C@H](I)C1 AM96019 [0,0,0,1,0,1|2,0,0]=4 558 B9R1.35 CC(=O)N1CC[C@H](I)C1 AM96646 [0,0,0,1,0,1|2,0,0]=4 559 B9R1.35 CC(=O)N1CC[C@H](N)C1 AM101330 [0,0,0,1,0,1|2,0,0]=4 560 B9R1.35 CC(=O)N1CC[C@H](N)C1 AM90401 [0,0,0,1,0,1|2,0,0]=4 561 B9R1.35 CC(=O)N1CC[C@H](N)C1 AM90424 [0,0,0,1,0,1|2,0,0]=4 562 B9R1.35 CC(=O)N1CC[C@H](O)C1 AM101587 [0,0,0,1,0,1|2,0,0]=4 563 B9R1.35 CC(=O)N1CC[C@H](O)C1 AMY20010 [0,0,0,1,0,1|2,0,0]=4 564 B9R1.35 CC1CNC(C(=O)O)C1 AMY27459 [0,0,0,1,0,1|1,0,0]=3 565 B9R1.35 CN1CC[C@H](C(=O)O)C1 AM20100095 [0,0,0,1,0,1|1,0,0]=3 566 B9R1.35 CN1CC[C@H](C(=O)O)C1 AM20120524 [0,0,0,1,0,1|1,0,0]=3 567 B9R1.35 NC1CCC(C(=O)O)C1 AMY20253 [0,0,0,1,0,1|1,0,0]=3 568 B9R1.35 NC1CCC(C(=O)O)C1 AMY34078 [0,0,0,1,0,1|1,0,0]=3 569 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 AMY21334 [0,0,0,1,0,1|1,0,0]=3 570 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 AMY35677 [0,0,0,1,0,1|1,0,0]=3 571 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 AMY21402 [0,0,0,1,0,1|1,0,0]=3 572 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 AMY21662 [0,0,0,1,0,1|1,0,0]=3 573 B9R1.35 N[C@@H]1CN[C@@H](C(=O)O)C1 AMY21986 [0,0,0,1,0,1|2,0,0]=4 574 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 AMY21371 [0,0,0,1,0,1|1,0,0]=3 575 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 AMY21403 [0,0,0,1,0,1|1,0,0]=3 576 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 AMY21335 [0,0,0,1,0,1|1,0,0]=3 577 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 AMY13640 [0,0,0,1,0,1|2,0,0]=4 578 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 AMY34398 [0,0,0,1,0,1|2,0,0]=4 579 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 AM20080324 [0,0,0,1,0,1|2,0,0]=4 580 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 AM808153 [0,0,0,1,0,1|2,0,0]=4 581 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 AM81829 [0,0,0,1,0,1|2,0,0]=4 582 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 AMY202003265 [0,0,0,1,0,1|2,0,0]=4 583 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 AMY13595 [0,0,0,1,0,1|2,0,0]=4 584 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 AMY34399 [0,0,0,1,0,1|2,0,0]=4 585 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 AM20090318 [0,0,0,1,0,1|2,0,0]=4 586 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 AM20100144 [0,0,0,1,0,1|2,0,0]=4 587 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 AM20100769 [0,0,0,1,0,1|2,0,0]=4 588 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 AM808165 [0,0,0,1,0,1|2,0,0]=4 589 B9R1.35 O=C(O)[C@H]1C[C@H](F)CN1 AMY13641 [0,0,0,1,0,1|2,0,0]=4 590 B9R1.35 O=C(O)[C@H]1C[C@H](F)CN1 AMY202003252 [0,0,0,1,0,1|2,0,0]=4 591 B9R1.35 O=C1CC[C@@H](C(=O)O)C1 AMY34326 [0,0,0,1,0,1|1,0,1]=4 592 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 AM20080373 [0,0,0,1,0,1|1,0,1]=4 593 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 AM20100078 [0,0,0,1,0,1|1,0,1]=4 594 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 AM83732 [0,0,0,1,0,1|1,0,1]=4 595 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 AM20100317 [0,0,0,1,0,1|1,0,1]=4 596 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 AM84751 [0,0,0,1,0,1|1,0,1]=4 597 B9R1.35 O=C1CC[C@@H](C(=O)O)S1 AMY33941 [0,0,0,1,0,1|1,0,1]=4 598 B9R1.35 O=C1CC[C@H](C(=O)O)C1 AM20120395 [0,0,0,1,0,1|1,0,1]=4 599 B9R1.35 O=C1CC[C@H](C(=O)O)C1 AMY34343 [0,0,0,1,0,1|1,0,1]=4 600 B9R1.49 CN1CCCC(=O)CC1 AM20090140 [0,0,0,1,0,1|2,0,0]=4 601 B9R1.49 CN1CCNC(=O)CC1 AM20120571 [0,0,0,1,0,1|2,0,0]=4 602 B9R1.55 N[C@H]1[C@@H](C(=O)O)C[C@H]1O AMY503 [0,0,0,1,0,1|2,0,0]=4 603 B9R1.69 CC1CC(=O)CCC1O AM806654 [0,0,0,1,0,1|2,0,0]=4 604 B9R1.95 COC1CC(C(=O)O)C1 AM85782 [0,0,0,1,0,1|1,0,0]=3 605 B9R1.95 O=C(O)C1CC(CBr)C1 AM20070562 [0,0,0,1,0,1|1,0,0]=3 606 B9R1.95 O=C(O)C1CC(CO)C1 AM85445 [0,0,0,1,0,1|1,0,0]=3 607 B9R1.3 CC1OCCC(=O)C1C AMY6076 [0,1,0,1,0,0|2,0,0]=4 608 B9R1.41 CN1CCC[C@H]1C(=O)O AM100855 [0,1,0,1,0,0|1,0,0]=3 609 B9R1.41 CN1CCC[C@H]1C(=O)O AM101133 [0,1,0,1,0,0|1,0,0]=3 610 B9R1.41 CN1CCC[C@H]1C(=O)O AM20090144 [0,1,0,1,0,0|1,0,0]=3 611 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O AMY21145 [0,1,0,1,0,0|1,0,0]=3 612 B9R1.41 O=C(O)[C@@H]1CCNC1=O AMY33623 [0,1,0,1,0,0|1,0,1]=4 613 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O AMY34381 [0,1,0,1,0,0|1,0,0]=3 614 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O AMY35737 [0,1,0,1,0,0|1,0,0]=3 615 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O AMY15345 [0,1,0,1,0,0|1,0,0]=3 616 B9R1.81 COC(=O)C1CNC1C AMY35763 [0,1,0,1,0,0|1,0,0]=3 617 B9R1.93 C=CC1CC1(N)C(=O)O AMY875 [0,1,0,1,0,0|0,0,2]=4 618 B9R1.110 N[C@H](C(=O)O)C1COC1 AMY12201 [0,1,0,1,0,0|1,0,0]=3 619 B9R1.141 C[C@@H]1[C@@H](C)C1(C)C(=O)O AMY21219 [0,1,0,1,0,0|0,0,0]=2 620 B9R1.141 C[C@H]1[C@@H](C)C1(C)C(=O)O AMY21218 [0,1,0,1,0,0|0,0,0]=2 621 B9R1.7 CCC[C@H]1COC(=O)C1 AMY16477 [0,1,0,1,0,0|0,0,0]=2 622 B9R1.13 O=C(O)CC1CCCC1 AMY18728 [0,1,0,1,0,0|0,0,0]=2 623 B9R1.13 O=C(O)CN1CCCC1 AM803802 [0,1,0,1,0,0|1,0,0]=3 624 B9R1.13 O=C(O)C[C@@H]1CCCN1 AMY28614 [0,1,0,1,0,0|0,0,0]=2 625 B9R1.13 O=C(O)C[C@@H]1CCNC1 AMY25039 [0,1,0,1,0,0|0,0,0]=2 626 B9R1.13 O=C(O)C[C@H]1CCCO1 AMY37705 [0,1,0,1,0,0|0,0,0]=2 627 B9R1.13 O=C(O)C[C@H]1CCNC1 AM20120287 [0,1,0,1,0,0|0,0,0]=2 628 B9R1.13 O=C(O)C[C@H]1CCOC1 AM20080284 [0,1,0,1,0,0|0,0,0]=2 629 B9R1.22 O=C1C[C@H](O)[C@@H](CO)O1 AMY34444 [0,1,0,1,0,0|1,0,0]=3 630 B9R1.34 CC1CC(=O)CC(=O)C1 AMY3042 [0,1,0,1,0,0|1,0,1]=4 631 B9R1.34 CC1CC(=O)OC(=O)C1 AMY3983 [0,1,0,1,0,0|0,0,1]=3 632 B9R1.34 CC1CC(C)CC(O)C1 AM9723 [0,1,0,1,0,0|1,0,1]=4 633 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)O1 AMY35788 [0,1,0,1,0,0|1,0,0]=3 634 B9R1.38 CC1(C)CC(=O)OC1=O AM20090036 [0,1,0,1,0,0|1,0,1]=4 635 B9R1.53 NC1CC(CC(=O)O)C1 AM85571 [0,1,0,1,0,0|0,0,0]=2 636 B9R1.53 N[C@H]1C[C@@H](CC(=O)O)C1 AMY34050 [0,1,0,1,0,0|0,0,0]=2 637 B9R1.53 O=C(O)CC1CC(=O)C1 AMY34663 [0,1,0,1,0,0|0,0,1]=3 638 B9R1.66 CC1(C)CC(=O)CCO1 AM20080139 [0,1,0,1,0,0|2,0,0]=4 639 B9R1.66 CC1(C)CCCC(=O)C1 AM84905 [0,1,0,1,0,0|1,0,0]=3 640 B9R1.66 CC1(C)CCNC(=O)C1 AM90109 [0,1,0,1,0,0|1,0,0]=3 641 B9R1.66 C[C@]1(O)CCOC(=O)C1 AMY10735 [0,1,0,1,0,0|0,0,0]=2 642 B9R1.137 N[C@@H](CC(=O)O)C1CC1 AMY38208 [0,1,0,1,0,0|1,0,0]=3 643 B9R1.2 CNC1CCOC(C)C1 AMY6015 [0,1,0,1,0,0|1,0,1]=4 644 B9R1.2 COC1CCCC(O)C1 AMY34868 [0,1,0,1,0,0|1,0,1]=4 645 B9R1.2 NCC1CCCC(O)C1 AM20070448 [0,1,0,1,0,0|1,0,1]=4 646 B9R1.2 NC[C@H]1CCNC(=O)C1 AM803060 [0,1,0,1,0,0|1,0,0]=3 647 B9R1.2 O=C1CCC[C@@H](CO)N1 AMY16344 [0,1,0,1,0,0|2,0,0]=4 648 B9R1.2 O=C1CCC[C@H](CO)C1 AMY18909 [0,1,0,1,0,0|1,0,0]=3 649 B9R1.2 O=C1CCC[C@H](CO)N1 AMY16343 [0,1,0,1,0,0|2,0,0]=4 650 B9R1.2 O=C1CCC[C@H](CO)N1 AMY16345 [0,1,0,1,0,0|2,0,0]=4 651 B9R1.2 O=C1COC[C@H](CO)N1 AMY21702 [0,1,0,1,0,0|2,0,0]=4 652 B9R1.128 O=C(O)CC1(CS)CC1 AM84551 [0,1,0,1,0,0|0,0,0]=2 653 B9R1.23 CN1C[C@@H](CN)CC1=O AMY33766 [0,1,0,1,0,0|2,0,0]=4 654 B9R1.23 CN1C[C@@H](CO)CC1=O AMY34896 [0,1,0,1,0,0|2,0,0]=4 655 B9R1.79 COC(=O)CC1CNC1 AMY34161 [0,1,0,1,0,0|1,0,0]=3 656 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(=O)O AM807085 [0,1,0,1,0,0|1,0,1]=4 657 B9R1.161 O=C(O)[C@H]1C[C@H]1C(=O)O AMY12058 [0,1,0,1,0,0|1,0,1]=4 658 B9R1.114 O=S(=O)(Cl)CC1CCC1 AMY26502 [0,1,0,1,0,0|1,0,1]=4 659 B9R1.146 C[C@]1(N)CCS(=O)(=O)C1 AM806148 [0,1,0,1,0,0|1,0,1]=4 660 B9R2.39 O=C1CC2CCC1C2 AMY10402 [0,0,0,2,0,0|1,0,0]=3 661 B9R2.39 O=C1CN2CCC1C2 AM20080170 [0,0,0,2,0,0|2,0,0]=4 662 B9R2.39 O=C1CN2CCC1C2 AM20090192 [0,0,0,2,0,0|2,0,0]=4 663 B9R2.25 O=C1OC(=O)C2CC12 AM20100382 [0,0,0,2,0,0|1,0,1]=4 664 B9R2.138 O=C1CC2(CCC2)C1 AMY34246 [0,0,0,2,0,0|1,0,0]=3 665 B9R2.138 O=C1CC2(CCC2)N1 AM100896 [0,0,0,2,0,0|1,0,0]=3 666 B9R2.138 O=C1CC2(COC2)C1 AMY9232 [0,0,0,2,0,0|2,0,0]=4 667 B9R2.138 O=C1CC2(CSC2)C1 AMY33628 [0,0,0,2,0,0|2,0,0]=4 668 B9R2.138 OC1CC2(CCC2)C1 AMY35417 [0,0,0,2,0,0|1,0,1]=4 669 B5R0.5 CC(=O)C(=O)O AMY6082 [1,0,0,0,1,0|1,0,1]=4 670 B5R0.5 CC(=O)C(C)C AMY11021 [1,0,0,0,1,0|1,0,0]=3 671 B5R0.5 CC(=O)[C@H](C)F AMY5968 [1,0,0,0,1,0|2,0,0]=4 672 B5R0.5 CC(C)B(O)O AM1192 [1,0,0,0,1,0|1,0,1]=4 673 B5R0.5 CC(C)[N+](=O)[O-] AMY25784 [1,0,0,0,1,0|1,0,1]=4 674 B5R0.5 CC(O)C(=O)[O-] AMY37027 [1,0,0,0,1,0|1,0,1]=4 675 B5R0.5 C[C@H](Br)C(=O)O AM81431 [1,0,0,0,1,0|1,0,0]=3 676 B5R0.5 C[C@H](Br)C(=O)O AM81432 [1,0,0,0,1,0|1,0,0]=3 677 B5R0.5 C[C@H](Br)C(=O)O AMY21881 [1,0,0,0,1,0|1,0,0]=3 678 B5R0.5 C[C@H](Br)C(N)=O AMY7273 [1,0,0,0,1,0|2,0,0]=4 679 B5R0.5 C[C@H](Cl)C(=O)Cl AMY40167 [1,0,0,0,1,0|2,0,0]=4 680 B5R0.5 C[C@H](Cl)C(=O)O AM81429 [1,0,0,0,1,0|1,0,0]=3 681 B5R0.5 C[C@H](Cl)C(=O)O AM81430 [1,0,0,0,1,0|1,0,0]=3 682 B5R0.5 C[C@H](Cl)C(=O)O AMY4045 [1,0,0,0,1,0|1,0,0]=3 683 B5R0.5 C[C@H](F)C(=O)O AMY5967 [1,0,0,0,1,0|1,0,0]=3 684 B5R0.5 C[C@H](N)C(=O)O AM20090411 [1,0,0,0,1,0|1,0,0]=3 685 B5R0.5 C[C@H](N)C(=O)O AM20090517 [1,0,0,0,1,0|1,0,0]=3 686 B5R0.5 C[C@H](N)C(=O)O AM20100374 [1,0,0,0,1,0|1,0,0]=3 687 B5R0.5 C[C@H](N)C(N)=O AM20090503 [1,0,0,0,1,0|2,0,0]=4 688 B5R0.5 C[C@H](N)C(N)=O AM81484 [1,0,0,0,1,0|2,0,0]=4 689 B5R0.5 C[C@H](O)C(=O)O AM87208 [1,0,0,0,1,0|1,0,0]=3 690 B5R0.5 C[C@H](O)C(=O)[O-] AMY22237 [1,0,0,0,1,0|1,0,1]=4 691 B5R0.5 O=C(O)C(F)F AM20100014 [1,0,0,0,1,0|2,0,0]=4