0 B7R0.7 C=C(CCBr)CCBr W15711 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.7 CCC[C@H](Br)CCBr D94373 [0,0,0,0,0,0|2,0,0]=2 2 B7R0.7 CCC[C@H](N)CCO AT20461 [0,0,0,0,0,0|1,0,0]=1 3 B7R0.7 CCC[C@H](N)CCO I11080 [0,0,0,0,0,0|1,0,0]=1 4 B7R0.7 CCC[C@H](N)CCO N12794 [0,0,0,0,0,0|1,0,0]=1 5 B7R0.7 CCNC(=O)CCCl Y14703 [0,0,0,0,0,0|2,1,1]=4 6 B7R0.7 CN(CCO)CCO A10780 [0,0,0,0,0,0|3,0,0]=3 7 B7R0.7 COC[C@@H](N)CCO AT12992 [0,0,0,0,0,0|2,0,0]=2 8 B6R0.1 C=CC[C@H](N)CO F16846 [1,0,0,0,0,0|1,0,2]=4 9 B6R0.1 CCC[C@@H](Br)CC D78429 [1,0,0,0,0,0|1,0,0]=2 10 B6R0.1 CCC[C@H](N)CO C13482 [1,0,0,0,0,0|1,0,0]=2 11 B6R0.1 CCNC(=O)CO 79517 [1,0,0,0,0,0|1,1,1]=4 12 B6R0.1 CCO[C@@H](C)CO 91003 [1,0,0,0,0,0|2,0,0]=3 13 B6R0.1 CC[C@H](S)CCO D84734 [1,0,0,0,0,0|0,0,0]=1 14 B6R0.1 CNC(=O)CCO AC6610 [1,0,0,0,0,0|1,1,1]=4 15 B6R0.1 COC[C@@H](O)CN 94767 [1,0,0,0,0,0|2,1,0]=4 16 B6R0.1 NCC[C@H](O)CO F51073 [1,0,0,0,0,0|1,1,0]=3 17 B6R0.1 N[C@H](CO)CCO AB10026 [1,0,0,0,0,0|2,0,0]=3 18 B6R0.1 N[C@H](CO)CCO AB10027 [1,0,0,0,0,0|2,0,0]=3 19 B6R0.1 N[C@H](CS)CCS F52529 [1,0,0,0,0,0|2,1,0]=4 20 B6R0.6 BrCCNCCBr 35649 [1,0,0,0,0,0|3,0,0]=4 21 B6R0.6 C#CCCCCI C74272 [1,0,0,0,0,0|1,0,2]=4 22 B6R0.6 C#CCCCCN 79352 [1,0,0,0,0,0|1,0,2]=4 23 B6R0.6 C=CCNCCO W12833 [1,0,0,0,0,0|1,0,2]=4 24 B6R0.6 CC#CCCCO W16152 [1,0,0,0,0,0|0,0,2]=3 25 B6R0.6 CCOCCCBr A11082 [1,0,0,0,0,0|2,0,0]=3 26 B6R0.6 CCOCCON W15834 [1,0,0,0,0,0|3,0,0]=4 27 B6R0.6 CC\C=C/CCI 98107 [1,0,0,0,0,0|1,0,2]=4 28 B6R0.6 CNCC#CCO 68302 [1,0,0,0,0,0|1,0,2]=4 29 B6R0.6 CNCCCCBr C74879 [1,0,0,0,0,0|2,0,0]=3 30 B6R0.6 CNCCCCN D80538 [1,0,0,0,0,0|2,0,0]=3 31 B6R0.6 ClCCOCCI 12079 [1,0,0,0,0,0|3,0,0]=4 32 B6R0.6 N#CCCCCBr D77353 [1,0,0,0,0,0|2,0,1]=4 33 B6R0.6 NCCCCCBr 97997 [1,0,0,0,0,0|2,0,0]=3 34 B6R0.6 NCCNCCN D81398 [1,0,0,0,0,0|3,0,0]=4 35 B6R0.6 O=NCNCCO D93315 [1,0,0,0,0,0|3,0,0]=4 36 B6R0.6 OCCCCCO D77911 [1,0,0,0,0,0|1,0,0]=2 37 B6R0.6 OCCOCCF AT25497 [1,0,0,0,0,0|2,0,0]=3 38 B8R0.1 C#CCCC(=O)CCO N11427 [0,1,0,0,0,0|0,1,2]=4 39 B8R0.1 CCCC(=O)OCCO D81566 [0,1,0,0,0,0|0,1,1]=3 40 B8R0.1 CCCC[C@H](C)CCO D93301 [0,1,0,0,0,0|1,0,0]=2 41 B8R0.1 CCC[C@H](C)CCCO A12859 [0,1,0,0,0,0|1,0,0]=2 42 B8R0.1 CCOC(=O)CCCO C91677 [0,1,0,0,0,0|1,1,1]=4 43 B8R0.1 COCCN(C)CCO F18234 [0,1,0,0,0,0|2,0,0]=3 44 B8R0.5 CCC[C@H](C)CC(C)=O D93522 [0,1,0,0,0,0|1,0,2]=4 45 B8R0.5 CCC[C@H](C)CC(C)C F17729 [0,1,0,0,0,0|2,0,0]=3 46 B8R0.5 CCC[C@H](N)CC(=O)O C76010 [0,1,0,0,0,0|1,0,1]=3 47 B8R1.4 CC1CC(N)CCO1 D78849 [0,0,0,1,0,0|1,0,0]=2 48 B8R1.4 CC1CC(N)CCO1 P16002 [0,0,0,1,0,0|1,0,0]=2 49 B8R1.4 CC1CC(O)CCN1 33466 [0,0,0,1,0,0|1,1,0]=3 50 B8R1.4 CC1CC(O)CCN1 P17258 [0,0,0,1,0,0|1,1,0]=3 51 B8R1.4 CC1CNCC(O)C1 AC5056 [0,0,0,1,0,0|2,0,0]=3 52 B8R1.4 CN1CCC[C@H](N)C1 37174 [0,0,0,1,0,0|3,0,0]=4 53 B8R1.4 CN1CCC[C@H](N)C1 37175 [0,0,0,1,0,0|3,0,0]=4 54 B8R1.4 CN1CCC[C@H](N)C1 F13528 [0,0,0,1,0,0|3,0,0]=4 55 B8R1.4 CN1CCC[C@H](N)C1 P12011 [0,0,0,1,0,0|3,0,0]=4 56 B8R1.4 C[C@@H]1CCC[C@H](N)C1 D84824 [0,0,0,1,0,0|2,0,0]=3 57 B8R1.4 C[C@@H]1CNC[C@H](C)C1 F12546 [0,0,0,1,0,0|3,0,0]=4 58 B8R1.4 C[C@H]1CC(=O)CCN1 37834 [0,0,0,1,0,0|1,1,1]=4 59 B8R1.4 C[C@H]1CC(=O)CCN1 37835 [0,0,0,1,0,0|1,1,1]=4 60 B8R1.4 C[C@H]1CC(=O)CCN1 37846 [0,0,0,1,0,0|1,1,1]=4 61 B8R1.4 C[C@H]1CC(=O)CCO1 P11761 [0,0,0,1,0,0|0,1,1]=3 62 B8R1.4 C[C@H]1CN(C)CCN1 32818 [0,0,0,1,0,0|3,0,0]=4 63 B8R1.4 C[C@H]1CN(C)CCN1 F12507 [0,0,0,1,0,0|3,0,0]=4 64 B8R1.4 C[C@H]1CN(C)CCN1 F12510 [0,0,0,1,0,0|3,0,0]=4 65 B8R1.4 C[C@H]1CN(C)CCN1 P15101 [0,0,0,1,0,0|3,0,0]=4 66 B8R1.4 C[C@H]1CN(C)CCN1 P18658 [0,0,0,1,0,0|3,0,0]=4 67 B8R1.4 NC1COCC(O)C1 91463 [0,0,0,1,0,0|2,0,0]=3 68 B8R1.4 N[C@@H]1CCC[C@H](O)C1 AT10768 [0,0,0,1,0,0|1,0,0]=2 69 B8R1.4 N[C@@H]1CCC[C@H](O)C1 C14447 [0,0,0,1,0,0|1,0,0]=2 70 B8R1.4 N[C@@H]1CCC[C@H](O)C1 F11498 [0,0,0,1,0,0|1,0,0]=2 71 B8R1.4 N[C@H]1CCCC(=O)C1 20374 [0,0,0,1,0,0|1,0,2]=4 72 B8R1.4 N[C@H]1CCC[C@@H](N)C1 P15640 [0,0,0,1,0,0|2,0,0]=3 73 B8R1.4 N[C@H]1CCC[C@H](F)C1 72992 [0,0,0,1,0,0|2,0,0]=3 74 B8R1.4 N[C@H]1CCC[C@H](N)C1 T70693 [0,0,0,1,0,0|2,0,0]=3 75 B8R1.4 N[C@H]1CCC[C@H](O)C1 P15600 [0,0,0,1,0,0|1,0,0]=2 76 B8R1.4 N[C@H]1CCC[C@H](O)C1 P17839 [0,0,0,1,0,0|1,0,0]=2 77 B8R1.4 O=C1C[C@@H](O)CCN1 68727 [0,0,0,1,0,0|1,1,1]=4 78 B8R1.4 O=C1C[C@@H](O)CCN1 68728 [0,0,0,1,0,0|1,1,1]=4 79 B8R1.4 O[C@H]1CCC[C@@H](O)C1 T71365 [0,0,0,1,0,0|0,1,0]=2 80 B8R1.4 O[C@H]1CCC[C@H](O)C1 T71051 [0,0,0,1,0,0|0,1,0]=2 81 B8R1.6 CCCC1CC(=O)C1 D96728 [0,0,0,1,0,0|1,0,2]=4 82 B8R1.6 CCOC1CC(N)C1 P13631 [0,0,0,1,0,0|3,0,0]=4 83 B8R1.6 CCO[C@H]1C[C@@H](N)C1 P13633 [0,0,0,1,0,0|3,0,0]=4 84 B8R1.6 CN1CC(CCN)C1 33440 [0,0,0,1,0,0|3,0,0]=4 85 B8R1.6 CN1CC(CCO)C1 37197 [0,0,0,1,0,0|2,0,0]=3 86 B8R1.6 COCC1CC(N)C1 P11795 [0,0,0,1,0,0|3,0,0]=4 87 B8R1.6 COCC1CC(N)C1 P18332 [0,0,0,1,0,0|3,0,0]=4 88 B8R1.6 COC[C@H]1C[C@H](N)C1 D79066 [0,0,0,1,0,0|3,0,0]=4 89 B8R1.6 NCCN1CC(O)C1 AC3487 [0,0,0,1,0,0|3,0,0]=4 90 B8R1.6 OCCN1CC(F)C1 D79128 [0,0,0,1,0,0|3,0,0]=4 91 B8R1.8 BrCCC1CCCC1 C78009 [0,0,0,1,0,0|2,0,0]=3 92 B8R1.8 C=CC[C@H]1CCCN1 N16954 [0,0,0,1,0,0|2,0,1]=4 93 B8R1.8 CCN[C@H]1CCNC1 T72394 [0,0,0,1,0,0|3,0,0]=4 94 B8R1.8 CCN[C@H]1CCOC1 F14260 [0,0,0,1,0,0|2,0,0]=3 95 B8R1.8 CCO[C@H]1CCNC1 P10149 [0,0,0,1,0,0|3,0,0]=4 96 B8R1.8 CNC[C@H]1CCCN1 P18036 [0,0,0,1,0,0|3,0,0]=4 97 B8R1.8 COC[C@H]1CCCN1 11152 [0,0,0,1,0,0|3,0,0]=4 98 B8R1.8 COC[C@H]1CCCN1 11153 [0,0,0,1,0,0|3,0,0]=4 99 B8R1.8 COC[C@H]1CCCN1 71289 [0,0,0,1,0,0|3,0,0]=4 100 B8R1.8 COC[C@H]1CCNC1 72010 [0,0,0,1,0,0|3,0,0]=4 101 B8R1.8 COC[C@H]1CCNC1 P10622 [0,0,0,1,0,0|3,0,0]=4 102 B8R1.8 COC[C@H]1CCNC1 P12588 [0,0,0,1,0,0|3,0,0]=4 103 B8R1.8 COC[C@H]1CCNC1 P15249 [0,0,0,1,0,0|3,0,0]=4 104 B8R1.8 COC[C@H]1CCNC1 P15255 [0,0,0,1,0,0|3,0,0]=4 105 B8R1.8 ClCCC1CCCC1 AC1057 [0,0,0,1,0,0|2,0,0]=3 106 B8R1.8 NCCC1OCCO1 T71082 [0,0,0,1,0,0|2,1,0]=4 107 B8R1.8 NNCC1CCCC1 P11240 [0,0,0,1,0,0|3,0,0]=4 108 B8R1.8 O=CCC1CCCC1 F11683 [0,0,0,1,0,0|1,0,2]=4 109 B8R1.8 OCCC1OCCO1 W16263 [0,0,0,1,0,0|1,1,0]=3 110 B8R1.8 OCC[C@H]1CCCN1 50275 [0,0,0,1,0,0|1,0,0]=2 111 B8R1.8 OCC[C@H]1CCCN1 62964 [0,0,0,1,0,0|1,0,0]=2 112 B8R1.11 C#CC1CCCC1O 30575 [0,0,0,1,0,0|1,1,1]=4 113 B8R1.11 CN1CCC[C@@H]1CBr N13118 [0,0,0,1,0,0|3,0,0]=4 114 B8R1.11 CN1CCC[C@@H]1CCl D83790 [0,0,0,1,0,0|3,0,0]=4 115 B8R1.11 CN1CCC[C@@H]1CN 39178 [0,0,0,1,0,0|3,0,0]=4 116 B8R1.11 CN[C@@H]1CCC[C@@H]1O D96687 [0,0,0,1,0,0|2,1,0]=4 117 B8R1.11 CN[C@@H]1CCC[C@@H]1O D97032 [0,0,0,1,0,0|2,1,0]=4 118 B8R1.11 CN[C@H]1CCC[C@@H]1O D97028 [0,0,0,1,0,0|2,1,0]=4 119 B8R1.11 C[C@H]1CNC[C@@H]1CO C77269 [0,0,0,1,0,0|2,0,0]=3 120 B8R1.11 NCC1CCCC1N F20645 [0,0,0,1,0,0|2,0,0]=3 121 B8R1.11 NC[C@@H]1COC[C@@H]1O P14613 [0,0,0,1,0,0|2,1,0]=4 122 B8R1.11 NC[C@H]1CCCC1=O 33703 [0,0,0,1,0,0|1,1,1]=4 123 B8R1.11 NC[C@H]1COC[C@@H]1O P14625 [0,0,0,1,0,0|2,1,0]=4 124 B8R1.11 O=C1CCC[C@@H]1CO C73905 [0,0,0,1,0,0|0,1,1]=3 125 B8R1.11 O=C1NCC[C@@H]1CO P12214 [0,0,0,1,0,0|1,1,1]=4 126 B8R1.11 OCC1CNCC1O 73097 [0,0,0,1,0,0|1,1,0]=3 127 B8R1.18 C[C@@H]1NC(=O)C[C@@H]1O C90245 [0,0,0,1,0,0|1,1,1]=4 128 B8R1.22 BrC1CCCCCC1 F53566 [0,0,0,1,0,0|2,0,0]=3 129 B8R1.22 C[C@H]1CCCCCN1 D79537 [0,0,0,1,0,0|3,0,0]=4 130 B8R1.22 C[C@H]1CCCCCN1 D79538 [0,0,0,1,0,0|3,0,0]=4 131 B8R1.22 C[C@H]1CCCCCN1 W10101 [0,0,0,1,0,0|3,0,0]=4 132 B8R1.22 C[C@H]1CCCCNC1 72971 [0,0,0,1,0,0|3,0,0]=4 133 B8R1.22 C[C@H]1CCNCCN1 70847 [0,0,0,1,0,0|3,0,0]=4 134 B8R1.22 N[C@H]1CCCNCC1 36658 [0,0,0,1,0,0|2,0,0]=3 135 B8R1.22 O=C1CCCOCC1 P12770 [0,0,0,1,0,0|0,1,1]=3 136 B8R1.37 CCCC(=O)C1CC1 P18081 [0,0,0,1,0,0|1,1,1]=4 137 B8R1.37 CCOC(=O)[C@@H]1CO1 20558 [0,0,0,1,0,0|1,1,1]=4 138 B8R1.37 COC[C@H](N)C1CC1 D87133 [0,0,0,1,0,0|3,0,0]=4 139 B8R1.66 COCC1(N)CCC1 C77610 [0,0,0,1,0,0|3,0,0]=4 140 B8R1.66 N#CCC1(N)CCC1 F51977 [0,0,0,1,0,0|2,0,1]=4 141 B8R1.66 N#CCC1(O)CCC1 AC3670 [0,0,0,1,0,0|1,1,1]=4 142 B8R1.66 NC1(CCO)CCC1 F51938 [0,0,0,1,0,0|1,0,0]=2 143 B8R1.66 NC1(CCO)COC1 39014 [0,0,0,1,0,0|2,0,0]=3 144 B8R1.66 NC1(CCO)COC1 P19108 [0,0,0,1,0,0|2,0,0]=3 145 B8R1.66 NCCC1(O)COC1 D79127 [0,0,0,1,0,0|2,1,0]=4 146 B8R1.66 OCCC1(O)CCC1 F30304 [0,0,0,1,0,0|0,1,0]=2 147 B8R1.66 OCCC1(O)COC1 P18341 [0,0,0,1,0,0|1,1,0]=3 148 B5R0.1 CCC[C@H](C)N P14575 [2,0,0,0,0,0|1,0,0]=3 149 B5R0.1 CCC[C@H](C)N Y10887 [2,0,0,0,0,0|1,0,0]=3 150 B5R0.1 CN(C)CCO D93012 [2,0,0,0,0,0|2,0,0]=4 151 B5R0.1 CNC[C@H](C)O AC1157 [2,0,0,0,0,0|1,1,0]=4 152 B5R0.1 CNC[C@H](C)O N12528 [2,0,0,0,0,0|1,1,0]=4 153 B5R0.1 COC[C@H](C)Br 78860 [2,0,0,0,0,0|2,0,0]=4 154 B5R0.1 COC[C@H](C)N 25526 [2,0,0,0,0,0|2,0,0]=4 155 B5R0.1 COC[C@H](C)N D95458 [2,0,0,0,0,0|2,0,0]=4 156 B5R0.1 COC[C@H](C)N W17998 [2,0,0,0,0,0|2,0,0]=4 157 B5R0.1 C[C@H](O)CCN 83616 [2,0,0,0,0,0|1,1,0]=4 158 B5R0.1 OCCC(F)F P18054 [2,0,0,0,0,0|2,0,0]=4 159 B5R0.2 CCCCON 31644 [2,0,0,0,0,0|2,0,0]=4 160 B5R0.2 COCCCO D77912 [2,0,0,0,0,0|1,0,0]=3 161 B5R0.2 NCCCCCl F19552 [2,0,0,0,0,0|2,0,0]=4 162 B5R0.2 NNCCCO AB9423 [2,0,0,0,0,0|2,0,0]=4 163 B5R0.2 O=CCCCO 55817 [2,0,0,0,0,0|1,0,1]=4 164 B5R0.3 CC[C@H](C)CN 88665 [2,0,0,0,0,0|2,0,0]=4 165 B5R0.3 CC[PH](=O)CC C77650 [2,0,0,0,0,0|1,1,0]=4 166 B5R0.3 CN[C@@H](C)CO AC8719 [2,0,0,0,0,0|2,0,0]=4 167 B5R0.3 CN[C@@H](C)CO C77593 [2,0,0,0,0,0|2,0,0]=4 168 B5R0.3 CN[C@@H](C)CO D80042 [2,0,0,0,0,0|2,0,0]=4 169 B5R0.3 CN[C@@H](C)CO D80344 [2,0,0,0,0,0|2,0,0]=4 170 B5R0.3 CN[C@@H](C)CO D82586 [2,0,0,0,0,0|2,0,0]=4 171 B5R0.3 CO[C@@H](C)CO 91002 [2,0,0,0,0,0|2,0,0]=4 172 B5R0.3 C[C@@H](CO)CBr AB3182 [2,0,0,0,0,0|2,0,0]=4 173 B5R0.3 NC[C@H](F)CO 94841 [2,0,0,0,0,0|2,0,0]=4 174 B5R0.3 NC[C@H](F)CO 94845 [2,0,0,0,0,0|2,0,0]=4 175 B5R0.3 NC[C@H](F)CO 94846 [2,0,0,0,0,0|2,0,0]=4 176 B5R0.3 OC[C@H](O)CF 65949 [2,0,0,0,0,0|1,1,0]=4 177 B5R0.3 OC[C@H](O)CF F14582 [2,0,0,0,0,0|1,1,0]=4 178 B7R0.2 CC[C@H](C)CC(=O)O 63986 [1,1,0,0,0,0|1,0,1]=4 179 B7R0.2 CC[C@H](C)CC(C)=O A11862 [1,1,0,0,0,0|1,0,1]=4 180 B7R0.2 CC[C@H](N)CC(=O)O 51922 [1,1,0,0,0,0|1,0,1]=4 181 B7R0.2 CC[C@H](N)CC(=O)O 52000 [1,1,0,0,0,0|1,0,1]=4 182 B7R0.2 CC[C@H](O)CC(=O)O C14017 [1,1,0,0,0,0|0,1,1]=4 183 B7R0.2 CN(C)C[C@H](O)CO D95190 [1,1,0,0,0,0|1,1,0]=4 184 B7R0.2 COC(C)CC(C)O 78061 [1,1,0,0,0,0|2,0,0]=4 185 B7R0.3 CCC(=O)OCCO A11774 [1,1,0,0,0,0|0,1,1]=4 186 B7R0.5 CC(=O)[C@@H](Cl)CCO 74627 [1,1,0,0,0,0|1,0,1]=4 187 B7R0.5 CC(C)[C@@H](O)CCN 83602 [1,1,0,0,0,0|1,1,0]=4 188 B7R0.5 CCCC(Br)C(C)Br D81745 [1,1,0,0,0,0|1,0,0]=3 189 B7R0.5 CCC[C@H](O)C(=O)O 77792 [1,1,0,0,0,0|0,1,1]=4 190 B7R0.10 CC[C@@H](C)[C@@H](N)CO 73347 [1,1,0,0,0,0|1,0,0]=3 191 B7R0.10 OC[C@H](O)[C@@H](O)CO T72117 [1,1,0,0,0,0|1,1,0]=4 192 B7R0.11 CC(C)(CO)CCO W16131 [1,1,0,0,0,0|2,0,0]=4 193 B7R0.11 CCC(C)(C)CCCl F50555 [1,1,0,0,0,0|2,0,0]=4 194 B7R0.11 COCC(C)(C)CO BL000418 [1,1,0,0,0,0|2,0,0]=4 195 B7R0.12 CCCC(CO)CO AB7729 [1,1,0,0,0,0|0,1,0]=3 196 B7R0.12 CCN(CCO)N=O T71710 [1,1,0,0,0,0|1,1,0]=4 197 B7R0.12 CCN[C@@H](CC)CO 29377 [1,1,0,0,0,0|1,1,0]=4 198 B7R0.1 C=CCCCCNC R10008 [1,1,0,0,0,0|1,0,1]=4 199 B7R0.1 CCCNCCCO AB4057 [1,1,0,0,0,0|0,0,0]=2 200 B7R0.1 CNCCOCCO C70229 [1,1,0,0,0,0|1,0,0]=3 201 B7R0.1 COCCOCCI AT13077 [1,1,0,0,0,0|2,0,0]=4 202 B7R0.1 FCCCCCCBr A50948 [1,1,0,0,0,0|1,0,0]=3 203 B7R0.1 N#CCCNCCO D94844 [1,1,0,0,0,0|1,0,1]=4 204 B7R0.1 N#CCCOCCO Y11313 [1,1,0,0,0,0|1,0,1]=4 205 B7R0.1 NCCCCCCBr D83295 [1,1,0,0,0,0|1,0,0]=3 206 B7R0.1 NCCCCCCS F31196 [1,1,0,0,0,0|0,1,0]=3 207 B7R0.1 NCCCNCCS W12623 [1,1,0,0,0,0|1,1,0]=4 208 B7R0.1 NCCCOCCO W11222 [1,1,0,0,0,0|1,0,0]=3 209 B7R0.4 CC(=O)CCCCBr O11558 [1,1,0,0,0,0|1,0,1]=4 210 B7R0.4 CC(C)CCCCBr C74820 [1,1,0,0,0,0|1,0,0]=3 211 B7R0.4 CCCNCC(C)C AC1640 [1,1,0,0,0,0|2,0,0]=4 212 B7R0.4 CCCOCC(=O)O AC1647 [1,1,0,0,0,0|1,0,1]=4 213 B7R0.4 CN(C)CCCCCl W16936 [1,1,0,0,0,0|2,0,0]=4 214 B7R0.4 COCCCC(=O)O 78063 [1,1,0,0,0,0|1,0,1]=4 215 B7R0.4 C[C@H](Cl)CCCCCl A12620 [1,1,0,0,0,0|1,0,0]=3 216 B9R0.4 CSCC[C@H](N)CC(=O)O F12355 [0,2,0,0,0,0|1,0,1]=4 217 B9R0.4 CSCC[C@H](N)CC(=O)O FD10029 [0,2,0,0,0,0|1,0,1]=4 218 B9R0.4 CSCC[C@H](N)CC(=O)O FD10030 [0,2,0,0,0,0|1,0,1]=4 219 B9R0.5 CCCCC[C@H](O)CCO A10789 [0,2,0,0,0,0|0,1,0]=3 220 B9R0.18 CCCOC(C)OCCC D93053 [0,2,0,0,0,0|2,0,0]=4 221 B9R0.34 CCC[C@H](N)CC(=O)OC N15478 [0,2,0,0,0,0|1,0,1]=4 222 B9R0.34 CCC[C@H](N)CC(=O)OC N16940 [0,2,0,0,0,0|1,0,1]=4 223 B9R0.34 CCC[C@H](O)CC(=O)OC D93333 [0,2,0,0,0,0|0,1,1]=4 224 B9R0.23 CC(O)CN(C)C(C)CO D93578 [0,2,0,0,0,0|2,0,0]=4 225 B9R0.23 CC[C@@H](C)[C@@H](N)CC(=O)O F12353 [0,2,0,0,0,0|1,0,1]=4 226 B9R0.23 CC[C@@H](C)[C@@H](N)CC(=O)O FD10188 [0,2,0,0,0,0|1,0,1]=4 227 B9R0.27 OCC(O)C(O)C(O)CO D85122 [0,2,0,0,0,0|1,1,0]=4 228 B9R0.44 CCC[C@H](C)CC(C)(C)C D92889 [0,2,0,0,0,0|2,0,0]=4 229 B9R0.53 CC(C)C[C@H](N)CC(=O)O F12354 [0,2,0,0,0,0|1,0,1]=4 230 B9R0.53 CC(O)CN(O)CC(C)O F20133 [0,2,0,0,0,0|1,1,0]=4 231 B9R0.58 CCC[C@](C)(O)CC(=O)O A10594 [0,2,0,0,0,0|0,1,1]=4 232 B9R0.15 CCCC(CCC)C(=O)O C76453 [0,2,0,0,0,0|1,1,0]=4 233 B9R0.15 CCCC(CCC)C(N)=O A12328 [0,2,0,0,0,0|1,1,0]=4 234 B7R1.1 BrC[C@H]1CCOC1 84096 [1,0,0,1,0,0|2,0,0]=4 235 B7R1.1 CC[C@H]1CCCN1 F16886 [1,0,0,1,0,0|1,0,0]=3 236 B7R1.1 CC[C@H]1CCNC1 P14869 [1,0,0,1,0,0|2,0,0]=4 237 B7R1.1 CN[C@H]1CCOC1 P18534 [1,0,0,1,0,0|2,0,0]=4 238 B7R1.1 CN[C@H]1CCOC1 P18535 [1,0,0,1,0,0|2,0,0]=4 239 B7R1.1 FC[C@H]1CCCN1 37688 [1,0,0,1,0,0|2,0,0]=4 240 B7R1.1 FC[C@H]1CCCN1 P11073 [1,0,0,1,0,0|2,0,0]=4 241 B7R1.1 NCC1CCCC1 P10292 [1,0,0,1,0,0|2,0,0]=4 242 B7R1.1 NC[C@H]1CCCN1 83159 [1,0,0,1,0,0|2,0,0]=4 243 B7R1.1 NC[C@H]1CCCO1 83007 [1,0,0,1,0,0|1,1,0]=4 244 B7R1.1 NC[C@H]1CCCO1 S11127 [1,0,0,1,0,0|1,1,0]=4 245 B7R1.1 NC[C@H]1CCOC1 37316 [1,0,0,1,0,0|2,0,0]=4 246 B7R1.1 NC[C@H]1CCOC1 68891 [1,0,0,1,0,0|2,0,0]=4 247 B7R1.1 NC[C@H]1CCOC1 P12031 [1,0,0,1,0,0|2,0,0]=4 248 B7R1.1 OC[C@H]1CCCO1 66575 [1,0,0,1,0,0|0,1,0]=3 249 B7R1.1 OC[C@H]1CCNC1 24481 [1,0,0,1,0,0|2,0,0]=4 250 B7R1.1 OC[C@H]1CCNC1 29239 [1,0,0,1,0,0|2,0,0]=4 251 B7R1.1 OC[C@H]1CCNC1 30959 [1,0,0,1,0,0|2,0,0]=4 252 B7R1.1 OC[C@H]1CCOC1 37313 [1,0,0,1,0,0|2,0,0]=4 253 B7R1.1 OC[C@H]1CCOC1 37314 [1,0,0,1,0,0|2,0,0]=4 254 B7R1.2 CN1CC[C@H](Br)C1 C14104 [1,0,0,1,0,0|2,0,0]=4 255 B7R1.2 CN1CC[C@H](N)C1 51282 [1,0,0,1,0,0|2,0,0]=4 256 B7R1.2 CN1CC[C@H](N)C1 51289 [1,0,0,1,0,0|2,0,0]=4 257 B7R1.2 CN1CC[C@H](N)C1 FD9067 [1,0,0,1,0,0|2,0,0]=4 258 B7R1.2 C[C@@H]1C[C@H](O)CN1 F13013 [1,0,0,1,0,0|1,1,0]=4 259 B7R1.2 C[C@H]1CC[C@@H](C)N1 P17782 [1,0,0,1,0,0|2,0,0]=4 260 B7R1.2 C[C@H]1CC[C@H](C)N1 P19223 [1,0,0,1,0,0|2,0,0]=4 261 B7R1.2 NC1CCC(N)C1 D79385 [1,0,0,1,0,0|2,0,0]=4 262 B7R1.2 NC1CCC(O)C1 21055 [1,0,0,1,0,0|1,0,0]=3 263 B7R1.2 NC1CCC(O)C1 26425 [1,0,0,1,0,0|1,0,0]=3 264 B7R1.2 N[C@@H]1CC[C@H](F)C1 P18588 [1,0,0,1,0,0|2,0,0]=4 265 B7R1.2 N[C@@H]1CC[C@H](F)C1 P20484 [1,0,0,1,0,0|2,0,0]=4 266 B7R1.2 N[C@@H]1CC[C@H](O)C1 27526 [1,0,0,1,0,0|1,0,0]=3 267 B7R1.2 N[C@@H]1CC[C@H](O)C1 38967 [1,0,0,1,0,0|1,0,0]=3 268 B7R1.2 N[C@@H]1CC[C@H](O)C1 72087 [1,0,0,1,0,0|1,0,0]=3 269 B7R1.2 N[C@@H]1CC[C@H](O)C1 72088 [1,0,0,1,0,0|1,0,0]=3 270 B7R1.2 N[C@@H]1CC[C@H](O)C1 72349 [1,0,0,1,0,0|1,0,0]=3 271 B7R1.2 N[C@@H]1CC[C@H](O)C1 W11751 [1,0,0,1,0,0|1,0,0]=3 272 B7R1.2 N[C@H]1CC[C@H](N)C1 F53332 [1,0,0,1,0,0|2,0,0]=4 273 B7R1.2 N[C@H]1CC[C@H](O)C1 27518 [1,0,0,1,0,0|1,0,0]=3 274 B7R1.2 N[C@H]1CC[C@H](O)C1 31093 [1,0,0,1,0,0|1,0,0]=3 275 B7R1.2 N[C@H]1CC[C@H](O)C1 W11748 [1,0,0,1,0,0|1,0,0]=3 276 B7R1.2 O=C1CC[C@H](O)C1 P13127 [1,0,0,1,0,0|0,1,1]=4 277 B7R1.2 O[C@H]1CC[C@@H](O)C1 P16667 [1,0,0,1,0,0|0,1,0]=3 278 B7R1.3 C=C1CCOCC1 84295 [1,0,0,1,0,0|1,0,1]=4 279 B7R1.3 C[C@H]1CCCCN1 C73894 [1,0,0,1,0,0|2,0,0]=4 280 B7R1.3 C[C@H]1CCCNC1 36405 [1,0,0,1,0,0|2,0,0]=4 281 B7R1.3 C[C@H]1COCCN1 72593 [1,0,0,1,0,0|2,0,0]=4 282 B7R1.3 F[C@H]1CCCNC1 37161 [1,0,0,1,0,0|2,0,0]=4 283 B7R1.3 F[C@H]1CCCNC1 37162 [1,0,0,1,0,0|2,0,0]=4 284 B7R1.3 N[C@H]1CCCNC1 C72133 [1,0,0,1,0,0|2,0,0]=4 285 B7R1.3 N[C@H]1CCCOC1 F10442 [1,0,0,1,0,0|1,0,0]=3 286 B7R1.3 O[C@H]1CCCOC1 P10754 [1,0,0,1,0,0|0,1,0]=3 287 B7R1.3 O[C@H]1CCCOC1 P10755 [1,0,0,1,0,0|0,1,0]=3 288 B7R1.3 SC1CCNCC1 39018 [1,0,0,1,0,0|1,0,0]=3 289 B7R1.3 SC1CCOCC1 AT12453 [1,0,0,1,0,0|0,0,0]=2 290 B7R1.3 S[C@H]1CCCNC1 P11853 [1,0,0,1,0,0|1,0,0]=3 291 B7R1.4 Br[C@H]1CCC[C@@H]1Br D97021 [1,0,0,1,0,0|2,0,0]=4 292 B7R1.4 CC1CNCC1C P18713 [1,0,0,1,0,0|2,0,0]=4 293 B7R1.4 C[C@@H]1CCC[C@@H]1N 72991 [1,0,0,1,0,0|1,0,0]=3 294 B7R1.4 C[C@@H]1CCC[C@@H]1O 72407 [1,0,0,1,0,0|0,1,0]=3 295 B7R1.4 C[C@@H]1CNC[C@@H]1F 73104 [1,0,0,1,0,0|2,0,0]=4 296 B7R1.4 C[C@@H]1CNC[C@@H]1N F13008 [1,0,0,1,0,0|2,0,0]=4 297 B7R1.4 C[C@@H]1CNC[C@@H]1O 72981 [1,0,0,1,0,0|1,1,0]=4 298 B7R1.4 C[C@H]1CCC[C@@H]1O 71002 [1,0,0,1,0,0|0,1,0]=3 299 B7R1.4 C[C@H]1CNC[C@@H]1O 72668 [1,0,0,1,0,0|1,1,0]=4 300 B7R1.4 C[C@H]1COC[C@@H]1N P16382 [1,0,0,1,0,0|2,0,0]=4 301 B7R1.4 C[C@H]1COC[C@@H]1O 73077 [1,0,0,1,0,0|1,1,0]=4 302 B7R1.4 NC1CCCC1N F16273 [1,0,0,1,0,0|2,0,0]=4 303 B7R1.4 NC1COCC1O O11159 [1,0,0,1,0,0|2,0,0]=4 304 B7R1.4 N[C@@H]1CCC[C@@H]1O P10925 [1,0,0,1,0,0|1,0,0]=3 305 B7R1.4 N[C@@H]1COC[C@@H]1O F53671 [1,0,0,1,0,0|2,0,0]=4 306 B7R1.4 N[C@@H]1COC[C@@H]1O P12686 [1,0,0,1,0,0|2,0,0]=4 307 B7R1.4 N[C@H]1CCC[C@@H]1F P17786 [1,0,0,1,0,0|2,0,0]=4 308 B7R1.4 N[C@H]1CCC[C@@H]1N F16352 [1,0,0,1,0,0|2,0,0]=4 309 B7R1.4 N[C@H]1CCC[C@@H]1O 71753 [1,0,0,1,0,0|1,0,0]=3 310 B7R1.4 N[C@H]1CCC[C@H]1N I12005 [1,0,0,1,0,0|2,0,0]=4 311 B7R1.4 N[C@H]1COC[C@@H]1O 71841 [1,0,0,1,0,0|2,0,0]=4 312 B7R1.4 N[C@H]1COC[C@@H]1O P12486 [1,0,0,1,0,0|2,0,0]=4 313 B7R1.4 N[C@H]1COC[C@@H]1O P15828 [1,0,0,1,0,0|2,0,0]=4 314 B7R1.4 O[C@@H]1CNC[C@@H]1F 72988 [1,0,0,1,0,0|2,0,0]=4 315 B7R1.4 O[C@H]1CNC[C@@H]1F 38827 [1,0,0,1,0,0|2,0,0]=4 316 B7R1.4 O[C@H]1CNC[C@@H]1F P15834 [1,0,0,1,0,0|2,0,0]=4 317 B7R1.4 O[C@H]1CNC[C@@H]1O 39002 [1,0,0,1,0,0|1,1,0]=4 318 B7R1.4 O[C@H]1CNC[C@@H]1O P15707 [1,0,0,1,0,0|1,1,0]=4 319 B7R1.4 O[C@H]1COC[C@@H]1F 73076 [1,0,0,1,0,0|2,0,0]=4 320 B7R1.4 O[C@H]1COC[C@@H]1O 66690 [1,0,0,1,0,0|1,1,0]=4 321 B7R1.6 CCNC1CCC1 W19308 [1,0,0,1,0,0|2,0,0]=4 322 B7R1.6 CCNC1COC1 32797 [1,0,0,1,0,0|2,0,0]=4 323 B7R1.6 CNCC1COC1 32854 [1,0,0,1,0,0|2,0,0]=4 324 B7R1.6 CNC[C@H]1CCO1 D96714 [1,0,0,1,0,0|1,1,0]=4 325 B7R1.6 COC[C@H]1CCN1 38829 [1,0,0,1,0,0|2,0,0]=4 326 B7R1.6 COC[C@H]1CCN1 P15803 [1,0,0,1,0,0|2,0,0]=4 327 B7R1.6 NCCC1CCC1 P10851 [1,0,0,1,0,0|2,0,0]=4 328 B7R1.6 NCCC1COC1 85783 [1,0,0,1,0,0|2,0,0]=4 329 B7R1.6 OCCC1CCC1 32129 [1,0,0,1,0,0|1,0,0]=3 330 B7R1.6 OCCC1CNC1 P16512 [1,0,0,1,0,0|2,0,0]=4 331 B7R1.6 OCCC1COC1 32759 [1,0,0,1,0,0|2,0,0]=4 332 B7R1.6 OCCN1CCC1 70839 [1,0,0,1,0,0|2,0,0]=4 333 B7R1.6 OCC[C@H]1CCO1 P17680 [1,0,0,1,0,0|0,1,0]=3 334 B7R1.8 CN1CC[C@@H]1CO 63438 [1,0,0,1,0,0|2,0,0]=4 335 B7R1.8 CN1CC[C@@H]1CO AT17142 [1,0,0,1,0,0|2,0,0]=4 336 B7R1.8 CN1CC[C@@H]1CO P18351 [1,0,0,1,0,0|2,0,0]=4 337 B7R1.8 O=C1CC[C@@H]1CO P13853 [1,0,0,1,0,0|0,1,1]=4 338 B7R1.9 NCC1CC1CO C14991 [1,0,0,1,0,0|2,0,0]=4 339 B7R1.9 OC[C@H]1C[C@H]1CO P16470 [1,0,0,1,0,0|2,0,0]=4 340 B7R1.10 CC1CC(CN)C1 72944 [1,0,0,1,0,0|2,0,0]=4 341 B7R1.10 CN1CC(CO)C1 P17862 [1,0,0,1,0,0|2,0,0]=4 342 B7R1.10 CNC1CC(C)C1 72947 [1,0,0,1,0,0|2,0,0]=4 343 B7R1.10 CNC1CC(O)C1 37731 [1,0,0,1,0,0|2,0,0]=4 344 B7R1.10 CN[C@H]1C[C@@H](O)C1 P13897 [1,0,0,1,0,0|2,0,0]=4 345 B7R1.10 CN[C@H]1C[C@H](O)C1 38892 [1,0,0,1,0,0|2,0,0]=4 346 B7R1.10 COC1CC(O)C1 R10063 [1,0,0,1,0,0|2,0,0]=4 347 B7R1.10 NCC1CC(O)C1 37219 [1,0,0,1,0,0|2,0,0]=4 348 B7R1.10 NC[C@H]1C[C@H](O)C1 37659 [1,0,0,1,0,0|2,0,0]=4 349 B7R1.10 N[C@H]1C[C@@H](CO)C1 29808 [1,0,0,1,0,0|2,0,0]=4 350 B7R1.10 N[C@H]1C[C@@H](CO)C1 37494 [1,0,0,1,0,0|2,0,0]=4 351 B7R1.10 N[C@H]1C[C@H](CO)C1 37495 [1,0,0,1,0,0|2,0,0]=4 352 B7R1.10 OCC1CC(F)C1 72453 [1,0,0,1,0,0|2,0,0]=4 353 B7R1.10 OCC1CC(O)C1 N10548 [1,0,0,1,0,0|2,0,0]=4 354 B7R1.10 O[C@H]1C[C@@H](CF)C1 P21066 [1,0,0,1,0,0|2,0,0]=4 355 B7R1.21 CC1(CCO)CC1 P14058 [1,0,0,1,0,0|1,0,0]=3 356 B7R1.21 CCOC1(O)CC1 O10402 [1,0,0,1,0,0|1,1,0]=4 357 B7R1.22 N[C@@H](CO)C1CC1 N11217 [1,0,0,1,0,0|1,0,0]=3 358 B7R1.22 N[C@@H](CO)C1CC1 P18914 [1,0,0,1,0,0|1,0,0]=3 359 B7R1.22 N[C@@H](CO)C1CC1 Y14567 [1,0,0,1,0,0|1,0,0]=3 360 B7R1.22 O=C(CO)C1CC1 E72699 [1,0,0,1,0,0|0,1,1]=4 361 B7R1.25 CC1(CO)CCC1 90942 [1,0,0,1,0,0|1,0,0]=3 362 B7R1.25 CC1(CO)CNC1 73126 [1,0,0,1,0,0|2,0,0]=4 363 B7R1.25 CCC1(C)CNC1 D79218 [1,0,0,1,0,0|2,0,0]=4 364 B7R1.25 CCC1(F)CNC1 D79682 [1,0,0,1,0,0|2,0,0]=4 365 B7R1.25 CCC1(N)COC1 32880 [1,0,0,1,0,0|2,0,0]=4 366 B7R1.25 CCC1(O)COC1 69107 [1,0,0,1,0,0|1,1,0]=4 367 B7R1.25 C[C@]1(CN)CCO1 D79679 [1,0,0,1,0,0|2,0,0]=4 368 B7R1.25 C[C@]1(CN)CCO1 P20357 [1,0,0,1,0,0|2,0,0]=4 369 B7R1.25 C[C@]1(CO)CCN1 P18401 [1,0,0,1,0,0|2,0,0]=4 370 B7R1.25 NC1(CO)CCC1 P11244 [1,0,0,1,0,0|1,0,0]=3 371 B7R1.25 NC1(CO)COC1 32838 [1,0,0,1,0,0|2,0,0]=4 372 B7R1.25 NCC1(F)CCC1 85743 [1,0,0,1,0,0|2,0,0]=4 373 B7R1.25 NCC1(O)CCC1 27372 [1,0,0,1,0,0|1,1,0]=4 374 B7R1.25 OCC1(F)CCC1 85746 [1,0,0,1,0,0|1,0,0]=3 375 B7R1.25 OCC1(F)COC1 32840 [1,0,0,1,0,0|2,0,0]=4 376 B7R1.25 OCC1(O)CCC1 AT20135 [1,0,0,1,0,0|0,1,0]=3 377 B7R1.25 OCC1(O)CNC1 P15456 [1,0,0,1,0,0|1,1,0]=4 378 B7R1.7 C=CCC[C@H]1CO1 61994 [1,0,0,1,0,0|0,0,2]=4 379 B7R1.7 OCCCC1CC1 F52480 [1,0,0,1,0,0|0,0,0]=2 380 B7R1.24 C1CNCCOC1 80062 [1,0,0,1,0,0|1,0,0]=3 381 B9R1.2 CC[C@H]1CC(=O)CCO1 73975 [0,1,0,1,0,0|0,1,1]=4 382 B9R1.2 CN1CCO[C@@H](CN)C1 72736 [0,1,0,1,0,0|2,0,0]=4 383 B9R1.2 CN1CCO[C@@H](CO)C1 77632 [0,1,0,1,0,0|2,0,0]=4 384 B9R1.2 CN1CCO[C@@H](CO)C1 77633 [0,1,0,1,0,0|2,0,0]=4 385 B9R1.2 CO[C@H]1CCC[C@@H](N)C1 D96541 [0,1,0,1,0,0|1,0,0]=3 386 B9R1.2 NC1CCOC(CO)C1 D79017 [0,1,0,1,0,0|1,0,0]=3 387 B9R1.2 N[C@H]1CCC[C@H](CO)C1 D79005 [0,1,0,1,0,0|1,0,0]=3 388 B9R1.2 O=C1CCC[C@H](CO)C1 Y10198 [0,1,0,1,0,0|0,1,1]=4 389 B9R1.2 O=C1CCC[C@H](CO)N1 Y14667 [0,1,0,1,0,0|0,1,1]=4 390 B9R1.2 OCC1CNCC(F)C1 72782 [0,1,0,1,0,0|2,0,0]=4 391 B9R1.7 CCC[C@@H]1COC(=O)C1 S10720 [0,1,0,1,0,0|1,0,1]=4 392 B9R1.7 CCC[C@H]1CCC(=O)C1 A10517 [0,1,0,1,0,0|1,0,1]=4 393 B9R1.7 CN1CC[C@H](CCN)C1 37308 [0,1,0,1,0,0|2,0,0]=4 394 B9R1.7 CN1CC[C@H](CCO)C1 37198 [0,1,0,1,0,0|1,0,0]=3 395 B9R1.7 COC[C@@H]1C[C@H](O)CN1 P20748 [0,1,0,1,0,0|2,0,0]=4 396 B9R1.8 BrCCC1CCNCC1 AC8208 [0,1,0,1,0,0|2,0,0]=4 397 B9R1.8 BrCCC1CCOCC1 56518 [0,1,0,1,0,0|2,0,0]=4 398 B9R1.8 CCCN1CCOCC1 A12323 [0,1,0,1,0,0|2,0,0]=4 399 B9R1.8 CNC[C@H]1CCCOC1 P11000 [0,1,0,1,0,0|2,0,0]=4 400 B9R1.8 CNC[C@H]1CCCOC1 P16260 [0,1,0,1,0,0|2,0,0]=4 401 B9R1.8 CNC[C@H]1COCCO1 AC1133 [0,1,0,1,0,0|2,0,0]=4 402 B9R1.8 CNC[C@H]1COCCO1 F31295 [0,1,0,1,0,0|2,0,0]=4 403 B9R1.8 CNC[C@H]1COCCO1 F51993 [0,1,0,1,0,0|2,0,0]=4 404 B9R1.8 CNC[C@H]1COCCO1 F51998 [0,1,0,1,0,0|2,0,0]=4 405 B9R1.8 COC[C@H]1COCCN1 77667 [0,1,0,1,0,0|2,0,0]=4 406 B9R1.8 COC[C@H]1COCCN1 77668 [0,1,0,1,0,0|2,0,0]=4 407 B9R1.8 COC[C@H]1COCCN1 77669 [0,1,0,1,0,0|2,0,0]=4 408 B9R1.8 ClCCC1CCNCC1 AC3007 [0,1,0,1,0,0|2,0,0]=4 409 B9R1.8 NCCC1CCCCC1 24486 [0,1,0,1,0,0|2,0,0]=4 410 B9R1.8 NCCC1CCCCC1 55664 [0,1,0,1,0,0|2,0,0]=4 411 B9R1.8 NCCC1CCOCC1 71435 [0,1,0,1,0,0|2,0,0]=4 412 B9R1.8 NCCC1CCSCC1 AC3550 [0,1,0,1,0,0|2,0,0]=4 413 B9R1.8 OCCC1CCOCC1 62381 [0,1,0,1,0,0|1,0,0]=3 414 B9R1.8 OCCN1CCSCC1 O10852 [0,1,0,1,0,0|2,0,0]=4 415 B9R1.8 OCC[C@H]1CCCCN1 62347 [0,1,0,1,0,0|1,0,0]=3 416 B9R1.8 OCC[C@H]1CCCCN1 88407 [0,1,0,1,0,0|1,0,0]=3 417 B9R1.8 OCC[C@H]1CCCCN1 F30243 [0,1,0,1,0,0|1,0,0]=3 418 B9R1.8 OCC[C@H]1CCCNC1 W17542 [0,1,0,1,0,0|1,0,0]=3 419 B9R1.8 OCC[C@H]1CNCCN1 27755 [0,1,0,1,0,0|1,0,0]=3 420 B9R1.8 OCC[C@H]1CNCCO1 F13466 [0,1,0,1,0,0|0,1,0]=3 421 B9R1.12 OCCOC1CCCC1 31903 [0,1,0,1,0,0|1,0,0]=3 422 B9R1.15 CC1CCCCC1CN 72191 [0,1,0,1,0,0|2,0,0]=4 423 B9R1.15 CC1CCCNC1CO 72650 [0,1,0,1,0,0|1,0,0]=3 424 B9R1.15 CN1CCCC[C@@H]1CO O10154 [0,1,0,1,0,0|2,0,0]=4 425 B9R1.15 CN1CCCC[C@@H]1CO O10190 [0,1,0,1,0,0|2,0,0]=4 426 B9R1.15 CN1CCNC[C@@H]1CO D85973 [0,1,0,1,0,0|2,0,0]=4 427 B9R1.15 CN1CCOC[C@@H]1CO 77628 [0,1,0,1,0,0|2,0,0]=4 428 B9R1.15 CN1CCOC[C@@H]1CO 77629 [0,1,0,1,0,0|2,0,0]=4 429 B9R1.15 CN1CCOC[C@@H]1CO W17675 [0,1,0,1,0,0|2,0,0]=4 430 B9R1.15 CO[C@H]1COCC[C@@H]1N 37650 [0,1,0,1,0,0|2,0,0]=4 431 B9R1.15 CO[C@H]1COCC[C@@H]1N 37651 [0,1,0,1,0,0|2,0,0]=4 432 B9R1.15 CO[C@H]1COCC[C@@H]1N 37652 [0,1,0,1,0,0|2,0,0]=4 433 B9R1.15 CO[C@H]1COCC[C@H]1N 37649 [0,1,0,1,0,0|2,0,0]=4 434 B9R1.15 NC[C@@H]1CCNC[C@@H]1O P20455 [0,1,0,1,0,0|1,1,0]=4 435 B9R1.15 NC[C@H]1CCNC[C@@H]1O P16383 [0,1,0,1,0,0|1,1,0]=4 436 B9R1.15 N[C@H]1CCCC[C@H]1CO P19621 [0,1,0,1,0,0|1,0,0]=3 437 B9R1.15 OCC1CCNCC1O 72831 [0,1,0,1,0,0|0,1,0]=3 438 B9R1.15 OCC1CNCCC1O 73026 [0,1,0,1,0,0|0,1,0]=3 439 B9R1.15 OC[C@@H]1CCNC[C@@H]1F P14143 [0,1,0,1,0,0|1,0,0]=3 440 B9R1.22 CN1C[C@@H](F)C[C@H]1CO D97026 [0,1,0,1,0,0|2,0,0]=4 441 B9R1.22 CN1C[C@@H](O)C[C@@H]1CO P11483 [0,1,0,1,0,0|1,1,0]=4 442 B9R1.22 CO[C@H]1CN(C)C[C@@H]1O P20782 [0,1,0,1,0,0|2,0,0]=4 443 B9R1.33 CN1CCC[C@@H]1CCN P10542 [0,1,0,1,0,0|2,0,0]=4 444 B9R1.33 CN1CCC[C@@H]1CCO 27869 [0,1,0,1,0,0|1,0,0]=3 445 B9R1.33 CN1CCC[C@@H]1CCO 27876 [0,1,0,1,0,0|1,0,0]=3 446 B9R1.33 COC[C@H]1CCCN1N 70039 [0,1,0,1,0,0|2,0,0]=4 447 B9R1.33 COC[C@H]1CCCN1N 70044 [0,1,0,1,0,0|2,0,0]=4 448 B9R1.49 CN1CCC[C@H](N)CC1 37046 [0,1,0,1,0,0|2,0,0]=4 449 B9R1.49 CN1CCC[C@H](O)CC1 63484 [0,1,0,1,0,0|1,1,0]=4 450 B9R1.49 O=C1CCC[C@H](O)CN1 N10631 [0,1,0,1,0,0|0,1,1]=4 451 B9R1.50 O[C@@H]1CCC=CCCC1 C76726 [0,1,0,1,0,0|1,1,0]=4 452 B9R1.69 CC1CC(=O)CCC1O Y10041 [0,1,0,1,0,0|0,1,1]=4 453 B9R1.117 OCCCC1(O)CCC1 P17638 [0,1,0,1,0,0|0,1,0]=3 454 B9R1.134 CC1(CCN)OCCO1 53392 [0,1,0,1,0,0|2,0,0]=4 455 B9R1.134 CNCC1(C)OCCO1 W15942 [0,1,0,1,0,0|2,0,0]=4 456 B9R1.3 N[C@@H]1[C@@H](O)CCC[C@H]1O W13742 [0,1,0,1,0,0|0,1,0]=3 457 B9R1.5 CC1CCCNCC1C 73165 [0,1,0,1,0,0|2,0,0]=4 458 B9R1.5 OC1CCNCCC1F 73002 [0,1,0,1,0,0|1,1,0]=4 459 B9R1.11 NC(CO)C1CCOC1 32326 [0,1,0,1,0,0|2,0,0]=4 460 B9R1.13 O=C(O)C[C@H]1CCCN1 70865 [0,1,0,1,0,0|1,0,1]=4 461 B9R1.13 O=C(O)C[C@H]1CCCN1 F11179 [0,1,0,1,0,0|1,0,1]=4 462 B9R1.13 O=C(O)C[C@H]1CCCN1 F12356 [0,1,0,1,0,0|1,0,1]=4 463 B9R1.13 O=C(O)C[C@H]1CCCN1 P10210 [0,1,0,1,0,0|1,0,1]=4 464 B9R1.34 CC1CC(O)CC(C)N1 D78847 [0,1,0,1,0,0|1,1,0]=4 465 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)O1 P14153 [0,1,0,1,0,0|0,1,1]=4 466 B9R1.34 O[C@H]1C[C@@H](O)C[C@@H](O)C1 T70973 [0,1,0,1,0,0|0,1,0]=3 467 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O C74853 [0,1,0,1,0,0|1,0,1]=4 468 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O C76009 [0,1,0,1,0,0|1,0,1]=4 469 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O F19718 [0,1,0,1,0,0|1,0,1]=4 470 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O AT13996 [0,1,0,1,0,0|1,0,1]=4 471 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O C10521 [0,1,0,1,0,0|1,0,1]=4 472 B9R1.53 CC1CC(CC(=O)O)C1 D79064 [0,1,0,1,0,0|1,0,1]=4 473 B9R1.66 CC1(C)CCC[C@H](N)C1 P17894 [0,1,0,1,0,0|2,0,0]=4 474 B9R1.66 CC1(C)C[C@@H](O)CCN1 Y10992 [0,1,0,1,0,0|1,1,0]=4 475 B9R1.66 CC1(C)C[C@@H](O)CCO1 86677 [0,1,0,1,0,0|0,1,0]=3 476 B9R1.66 C[C@H]1CC(F)(F)CCN1 37534 [0,1,0,1,0,0|2,0,0]=4 477 B9R1.66 N[C@H]1CCCC(F)(F)C1 36231 [0,1,0,1,0,0|2,0,0]=4 478 B9R1.66 N[C@H]1CCCC(F)(F)C1 P20961 [0,1,0,1,0,0|2,0,0]=4 479 B9R1.86 CCC1CC1CC(=O)O D79896 [0,1,0,1,0,0|1,0,1]=4 480 B9R1.171 NC1(CC(=O)O)CCC1 P17679 [0,1,0,1,0,0|1,0,1]=4 481 B9R1.171 O=C(O)CC1(O)CCC1 72507 [0,1,0,1,0,0|0,1,1]=4 482 B9R1.89 CO[C@H]1CCCNCC1 37044 [0,1,0,1,0,0|1,1,0]=4 483 B9R1.89 CO[C@H]1CCCNCC1 37045 [0,1,0,1,0,0|1,1,0]=4 484 B9R1.89 N#CC1CCCCCC1 F53544 [0,1,0,1,0,0|2,0,0]=4 485 B9R1.89 N#C[C@H]1CCCNCC1 P13588 [0,1,0,1,0,0|2,0,0]=4 486 B9R1.89 NNC1CCCCCC1 AB1363 [0,1,0,1,0,0|2,0,0]=4 487 B9R1.148 CC1(C)CCCNCC1 W15420 [0,1,0,1,0,0|2,0,0]=4 488 B9R1.148 FC1(F)CCCNCC1 37043 [0,1,0,1,0,0|2,0,0]=4 489 B9R2.8 NC1CC2CC(C1)C2 P20288 [0,0,0,2,0,0|2,0,0]=4 490 B9R2.39 N[C@H]1C[C@@H]2CC[C@H]1C2 F16498 [0,0,0,2,0,0|2,0,0]=4 491 B9R2.39 OC1CC2CC1CN2 P15330 [0,0,0,2,0,0|1,0,0]=3 492 B9R2.39 OC1CC2CNC1C2 P20346 [0,0,0,2,0,0|2,0,0]=4 493 B9R2.39 O[C@H]1C[C@H]2CC[C@@H]1C2 P19938 [0,0,0,2,0,0|1,0,0]=3 494 B9R2.68 C1CC2CCC(C1)N2 P12684 [0,0,0,2,0,0|2,0,0]=4 495 B9R2.68 C1CC2CCC(C2)N1 N13361 [0,0,0,2,0,0|2,0,0]=4 496 B9R2.41 OC1CN(C2CC2)C1 P18006 [0,0,0,2,0,0|2,0,0]=4 497 B9R2.84 NCCC12CC(C1)C2 D97056 [0,0,0,2,0,0|2,0,0]=4 498 B9R2.138 NC1CC2(CCC2)C1 51173 [0,0,0,2,0,0|2,0,0]=4 499 B9R2.138 OC1CC2(CNC2)C1 P13906 [0,0,0,2,0,0|2,0,0]=4 500 B9R2.138 OC1CC2(COC2)C1 32792 [0,0,0,2,0,0|2,0,0]=4 501 B9R2.2 C1CN[C@H](C2CC2)C1 85767 [0,0,0,2,0,0|2,0,0]=4 502 B9R2.2 C1C[C@H](C2CC2)CN1 33378 [0,0,0,2,0,0|2,0,0]=4 503 B9R2.3 C1CC2CNCC2O1 81212 [0,0,0,2,0,0|2,0,0]=4 504 B9R2.3 C1C[C@H]2CNC[C@@H]2C1 P20905 [0,0,0,2,0,0|2,0,0]=4 505 B9R2.3 C1NCC2COCC12 37833 [0,0,0,2,0,0|2,0,0]=4 506 B9R2.3 C1NCC2COCC12 84715 [0,0,0,2,0,0|2,0,0]=4 507 B9R2.3 C1NC[C@@H]2COC[C@H]12 FD6066 [0,0,0,2,0,0|2,0,0]=4 508 B9R2.3 C1NC[C@H]2COC[C@H]12 P20901 [0,0,0,2,0,0|2,0,0]=4 509 B9R2.65 OCC1C2COCC12 69809 [0,0,0,2,0,0|2,0,0]=4 510 B9R2.65 OC[C@@H]1[C@@H]2COC[C@@H]21 P14535 [0,0,0,2,0,0|2,0,0]=4 511 B9R2.65 OC[C@@H]1[C@H]2CNC[C@H]21 37491 [0,0,0,2,0,0|2,0,0]=4 512 B9R2.65 OC[C@H]1[C@@H]2COC[C@H]12 37929 [0,0,0,2,0,0|2,0,0]=4 513 B9R2.173 C1CC2(C1)CCNC2 39200 [0,0,0,2,0,0|2,0,0]=4 514 B9R2.173 C1CC2(C1)CCNC2 F11035 [0,0,0,2,0,0|2,0,0]=4 515 B9R2.173 C1CC2(CCO2)CN1 39215 [0,0,0,2,0,0|2,0,0]=4 516 B9R2.173 C1CC2(CNC2)CO1 39197 [0,0,0,2,0,0|2,0,0]=4 517 B9R2.173 C1CNC2(C1)CCC2 39212 [0,0,0,2,0,0|2,0,0]=4 518 B9R2.173 C1C[C@@]2(CCO2)CN1 32848 [0,0,0,2,0,0|2,0,0]=4 519 B9R2.56 OCC12CNCC1C2 38677 [0,0,0,2,0,0|2,0,0]=4 520 B9R2.56 OCC12COCC1C2 D79110 [0,0,0,2,0,0|2,0,0]=4 521 B9R2.6 CC12CCNCC1C2 P18749 [0,0,0,2,0,0|2,0,0]=4 522 B9R2.6 NC12CCCCC1C2 P18959 [0,0,0,2,0,0|2,0,0]=4