0 B8R0.4 C=CCCCCCC=O N11873 [0,0,0,0,0,0|1,0,2]=3 1 B8R0.4 C=CCCCCCCI W11175 [0,0,0,0,0,0|3,0,0]=3 2 B8R0.4 COCCCCCCBr S10679 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.1 C=CCCCCNC R10008 [1,0,0,0,0,0|2,0,0]=3 4 B7R0.1 CCCNCCCO AB4057 [1,0,0,0,0,0|1,0,2]=4 5 B7R0.1 COCCOCCI AT13077 [1,0,0,0,0,0|2,0,1]=4 6 B7R0.1 COCOCCC=O 32199 [1,0,0,0,0,0|2,0,0]=3 7 B7R0.1 FCCCCCCBr A50948 [1,0,0,0,0,0|2,0,1]=4 8 B7R0.1 NCCCCCCBr D83295 [1,0,0,0,0,0|2,0,1]=4 9 B7R0.1 NCCCCCCS F31196 [1,0,0,0,0,0|1,1,1]=4 10 B9R0.2 C#CCCCCCC(=O)O AT11953 [0,1,0,0,0,0|1,0,2]=4 11 B9R0.2 C=CCCCCCC(=O)O I11997 [0,1,0,0,0,0|1,0,2]=4 12 B9R0.2 CCCCCCCC(=O)[O-] F12023 [0,1,0,0,0,0|1,0,0]=2 13 B9R0.2 CCC\C=C/CCC(=O)O E70288 [0,1,0,0,0,0|1,0,2]=4 14 B9R0.2 COCCOCCC(=O)O C70448 [0,1,0,0,0,0|3,0,0]=4 15 B9R0.2 O=C(O)CNCCCCO 72467 [0,1,0,0,0,0|3,0,0]=4 16 B9R0.5 CCCCC[C@H](O)CCO A10789 [0,1,0,0,0,0|1,0,2]=4 17 B9R0.5 CCOC(=O)CCCC=O N10598 [0,1,0,0,0,0|2,0,1]=4 18 B9R0.45 CCCCOCCCCO S11917 [0,1,0,0,0,0|1,0,2]=4 19 B9R0.45 CCCOCCOCCO D97202 [0,1,0,0,0,0|1,0,2]=4 20 B9R0.45 [N-]=[N+]=NCCCCCCN 52800 [0,1,0,0,0,0|3,0,0]=4 21 B9R0.46 CCCCCC[C@H](O)CBr D93070 [0,1,0,0,0,0|2,0,1]=4 22 B9R1.5 CN1CCCNCC1=O 37932 [0,0,0,1,0,0|3,0,0]=4 23 B9R1.5 CN1CCCNCC1=O Y10016 [0,0,0,1,0,0|3,0,0]=4 24 B9R1.5 CN1CCNCCC1=O Y10618 [0,0,0,1,0,0|3,0,0]=4 25 B9R1.5 C[C@@H]1NCCCNC1=O F50270 [0,0,0,1,0,0|2,0,0]=3 26 B9R1.5 C[C@@H]1NCCCNC1=O F50344 [0,0,0,1,0,0|2,0,0]=3 27 B9R1.5 C[C@H]1CCNCCC1=O 73013 [0,0,0,1,0,0|2,0,0]=3 28 B9R1.5 N[C@H]1CCCCNC1=O A56020 [0,0,0,1,0,0|2,0,0]=3 29 B9R1.5 O=C1CCNCC[C@@H]1Br 98344 [0,0,0,1,0,0|3,0,0]=4 30 B9R1.5 O=C1CNCCC[C@@H]1F 72994 [0,0,0,1,0,0|3,0,0]=4 31 B9R1.8 BrCCC1CCOCC1 56518 [0,0,0,1,0,0|2,0,1]=4 32 B9R1.8 CCCN1CCOCC1 A12323 [0,0,0,1,0,0|2,0,1]=4 33 B9R1.8 CNCC1CCCCC1 F20557 [0,0,0,1,0,0|3,0,0]=4 34 B9R1.8 NCCC1CCCCC1 24486 [0,0,0,1,0,0|2,0,1]=4 35 B9R1.8 NCCC1CCCCC1 55664 [0,0,0,1,0,0|2,0,1]=4 36 B9R1.8 NCCC1CCOCC1 71435 [0,0,0,1,0,0|2,0,1]=4 37 B9R1.8 O=CCC1CCCCC1 11388 [0,0,0,1,0,0|1,0,0]=2 38 B9R1.8 OCCC1CCOCC1 62381 [0,0,0,1,0,0|2,0,1]=4 39 B9R1.15 CC1CCCCC1CN 72191 [0,0,0,1,0,0|2,0,1]=4 40 B9R1.15 CCN1CCNCC1=O W18927 [0,0,0,1,0,0|3,0,0]=4 41 B9R1.15 CC[C@@H]1NCCCC1=O 63470 [0,0,0,1,0,0|2,0,0]=3 42 B9R1.15 CO[C@H]1CCCNC1=O O11031 [0,0,0,1,0,0|2,0,0]=3 43 B9R1.15 CO[C@H]1COCCC1=O 37648 [0,0,0,1,0,0|3,0,0]=4 44 B9R1.15 O=CC1=C(Br)CCCC1 AC9040 [0,0,0,1,0,0|2,0,1]=4 45 B9R1.15 O=CC1=C(Cl)CCCC1 31222 [0,0,0,1,0,0|2,0,1]=4 46 B9R1.33 NCCN1CCOC1=O C13660 [0,0,0,1,0,0|2,0,0]=3 47 B9R1.33 O=C1CCCN1CCBr C77640 [0,0,0,1,0,0|3,0,0]=4 48 B9R1.33 O=C1NCCN1CCCl 57428 [0,0,0,1,0,0|3,0,0]=4 49 B9R1.50 O=C1CNCCCNC1 77720 [0,0,0,1,0,0|3,0,0]=4 50 B9R1.50 O=C1NCCCCCN1 W17640 [0,0,0,1,0,0|2,0,0]=3 51 B9R1.50 O[C@@H]1C=CCCCCC1 AT23384 [0,0,0,1,0,0|3,0,0]=4 52 B9R1.89 CCN1CCCCCC1 A11156 [0,0,0,1,0,0|2,0,1]=4 53 B9R1.89 N#CC1CCCCCC1 F53544 [0,0,0,1,0,0|2,0,1]=4 54 B9R1.89 NNC1CCCCCC1 AB1363 [0,0,0,1,0,0|3,0,0]=4 55 B9R1.103 C1CCCCNCCC1 T72630 [0,0,0,1,0,0|2,0,1]=4 56 B6R0.6 CC#CCCCO W16152 [2,0,0,0,0,0|0,0,2]=4 57 B6R0.6 CCOCCCBr A11082 [2,0,0,0,0,0|2,0,0]=4 58 B6R0.6 CCOCCON W15834 [2,0,0,0,0,0|2,0,0]=4 59 B6R0.6 CNCCCCBr C74879 [2,0,0,0,0,0|2,0,0]=4 60 B6R0.6 CNCCCCN D80538 [2,0,0,0,0,0|2,0,0]=4 61 B6R0.6 NCCCCCBr 97997 [2,0,0,0,0,0|2,0,0]=4 62 B6R0.6 OCCCCCO D77911 [2,0,0,0,0,0|1,0,0]=3 63 B6R0.6 OCCOCCF AT25497 [2,0,0,0,0,0|2,0,0]=4 64 B8R0.1 CCCC[C@H](C)CCO D93301 [1,1,0,0,0,0|0,0,2]=4 65 B8R0.1 CCC[C@H](C)CCCO A12859 [1,1,0,0,0,0|0,0,2]=4 66 B8R0.1 CCOC(=O)CCC=O AB9300 [1,1,0,0,0,0|1,0,1]=4 67 B8R0.7 COCCNCC(=O)O W16095 [1,1,0,0,0,0|2,0,0]=4 68 B8R0.7 NCCCCCC(=O)O P19609 [1,1,0,0,0,0|1,0,0]=3 69 B8R0.7 NCCCCCC(N)=O AC6029 [1,1,0,0,0,0|1,0,0]=3 70 B8R0.7 O=C([O-])CCCCCO Y14708 [1,1,0,0,0,0|1,0,0]=3 71 B10R0.3 CC(C)CCC[C@H](C)CC=O AB7058 [0,2,0,0,0,0|1,0,0]=3 72 B10R0.4 C=CCCCCCC[C@H](C)O W11241 [0,2,0,0,0,0|2,0,0]=4 73 B10R0.4 CC(=O)NCCCCCCN D93510 [0,2,0,0,0,0|1,0,0]=3 74 B10R0.4 O=C(O)CCCCCCCO S10749 [0,2,0,0,0,0|1,0,0]=3 75 B10R0.6 NCCCC[C@H](N)CC(=O)O FD10061 [0,2,0,0,0,0|2,0,0]=4 76 B10R0.22 CCCCCCOC(C)(C)C D93010 [0,2,0,0,0,0|1,0,1]=4 77 B10R0.74 NCC(=O)NCCCCCBr D84097 [0,2,0,0,0,0|2,0,0]=4 78 B10R0.75 CCCCCC[C@H](C)C(=O)Cl 13028 [0,2,0,0,0,0|1,0,0]=3 79 B10R0.71 O=COCCOCCOC=O S10491 [0,2,0,0,0,0|1,0,1]=4 80 B8R1.2 BrC[C@H]1CCCOC1 38662 [1,0,0,1,0,0|1,0,1]=4 81 B8R1.2 CC[C@H]1CCCCN1 Y10457 [1,0,0,1,0,0|1,0,1]=4 82 B8R1.2 CC[C@H]1COCCN1 F17630 [1,0,0,1,0,0|1,0,1]=4 83 B8R1.2 CC[C@H]1COCCN1 FD6008 [1,0,0,1,0,0|1,0,1]=4 84 B8R1.2 ICC1CCCCC1 AC1131 [1,0,0,1,0,0|1,0,1]=4 85 B8R1.2 IC[C@H]1CCCOC1 P20725 [1,0,0,1,0,0|1,0,1]=4 86 B8R1.2 NC[C@H]1CCCOC1 SC1491 [1,0,0,1,0,0|1,0,1]=4 87 B8R1.2 O=CN1CCCCC1 D77795 [1,0,0,1,0,0|1,0,0]=3 88 B8R1.2 O=C[C@@H]1CCCCN1 62054 [1,0,0,1,0,0|1,0,0]=3 89 B8R1.2 O=C[C@@H]1CCCCO1 79885 [1,0,0,1,0,0|1,0,0]=3 90 B8R1.2 O=C[C@@H]1COCCO1 D78647 [1,0,0,1,0,0|2,0,0]=4 91 B8R1.2 O=C[C@H]1CCCOC1 79874 [1,0,0,1,0,0|1,0,0]=3 92 B8R1.2 OC[C@H]1CCCOC1 38674 [1,0,0,1,0,0|1,0,1]=4 93 B8R1.5 C=C1CCCC[C@@H]1O D94315 [1,0,0,1,0,0|2,0,0]=4 94 B8R1.5 C[C@@H]1CCCC[C@@H]1N Y10408 [1,0,0,1,0,0|1,0,1]=4 95 B8R1.5 C[C@@H]1CCCC[C@@H]1N Y10409 [1,0,0,1,0,0|1,0,1]=4 96 B8R1.5 C[C@@H]1OCCNC1=O AC4099 [1,0,0,1,0,0|2,0,0]=4 97 B8R1.5 C[C@H]1CCCCC1=O D77719 [1,0,0,1,0,0|0,0,0]=2 98 B8R1.5 C[C@H]1CCCOC1=O AB4082 [1,0,0,1,0,0|0,0,0]=2 99 B8R1.5 C[C@H]1COCCC1=O 27832 [1,0,0,1,0,0|1,0,0]=3 100 B8R1.5 C[C@H]1CSCCC1=O 70869 [1,0,0,1,0,0|1,0,0]=3 101 B8R1.5 NN1CCCCC1=O C74639 [1,0,0,1,0,0|2,0,0]=4 102 B8R1.5 N[C@H]1CCCCC1=O C16242 [1,0,0,1,0,0|1,0,0]=3 103 B8R1.5 N[C@H]1CCCNC1=O 11355 [1,0,0,1,0,0|2,0,0]=4 104 B8R1.5 N[C@H]1CCCNC1=O 51546 [1,0,0,1,0,0|2,0,0]=4 105 B8R1.5 O=C1CCOC[C@@H]1Br RB3241 [1,0,0,1,0,0|2,0,0]=4 106 B8R1.5 O=C1NCCC[C@@H]1Br F30215 [1,0,0,1,0,0|2,0,0]=4 107 B8R1.5 O=C1NCCC[C@@H]1O 27231 [1,0,0,1,0,0|2,0,0]=4 108 B8R1.5 O=C1OCCC[C@@H]1O 27422 [1,0,0,1,0,0|1,0,0]=3 109 B8R1.8 BrCCC1CCCC1 C78009 [1,0,0,1,0,0|1,0,1]=4 110 B8R1.8 C=CC[C@H]1CCCN1 N16954 [1,0,0,1,0,0|2,0,0]=4 111 B8R1.8 CCN[C@H]1CCOC1 F14260 [1,0,0,1,0,0|1,0,1]=4 112 B8R1.8 COC[C@H]1CCCN1 11152 [1,0,0,1,0,0|1,0,1]=4 113 B8R1.8 COC[C@H]1CCCN1 11153 [1,0,0,1,0,0|1,0,1]=4 114 B8R1.8 COC[C@H]1CCCN1 71289 [1,0,0,1,0,0|1,0,1]=4 115 B8R1.8 COC[C@H]1CCNC1 72010 [1,0,0,1,0,0|1,0,1]=4 116 B8R1.8 COC[C@H]1CCNC1 P10622 [1,0,0,1,0,0|1,0,1]=4 117 B8R1.8 COC[C@H]1CCNC1 P12588 [1,0,0,1,0,0|1,0,1]=4 118 B8R1.8 COC[C@H]1CCNC1 P15249 [1,0,0,1,0,0|1,0,1]=4 119 B8R1.8 COC[C@H]1CCNC1 P15255 [1,0,0,1,0,0|1,0,1]=4 120 B8R1.8 ClCCC1CCCC1 AC1057 [1,0,0,1,0,0|1,0,1]=4 121 B8R1.8 NNCC1CCCC1 P11240 [1,0,0,1,0,0|2,0,0]=4 122 B8R1.8 O=CCC1CCCC1 F11683 [1,0,0,1,0,0|0,0,0]=2 123 B8R1.10 OCCCC1COC1 89590 [1,0,0,1,0,0|1,0,1]=4 124 B8R1.11 NC[C@H]1CCCC1=O 33703 [1,0,0,1,0,0|1,0,0]=3 125 B8R1.11 O=C1CCC[C@@H]1CO C73905 [1,0,0,1,0,0|1,0,0]=3 126 B8R1.11 O=C1NCC[C@@H]1CO P12214 [1,0,0,1,0,0|2,0,0]=4 127 B8R1.22 BrC1CCCCCC1 F53566 [1,0,0,1,0,0|1,0,1]=4 128 B8R1.22 C[C@H]1CCCCCN1 D79537 [1,0,0,1,0,0|1,0,1]=4 129 B8R1.22 C[C@H]1CCCCCN1 D79538 [1,0,0,1,0,0|1,0,1]=4 130 B8R1.22 C[C@H]1CCCCCN1 W10101 [1,0,0,1,0,0|1,0,1]=4 131 B8R1.22 C[C@H]1CCCCNC1 72971 [1,0,0,1,0,0|1,0,1]=4 132 B8R1.22 C[C@H]1CNCCOC1 73160 [1,0,0,1,0,0|1,0,1]=4 133 B8R1.22 NC1=NCCCCC1 D85903 [1,0,0,1,0,0|2,0,0]=4 134 B8R1.22 O=C1CCCCCN1 D94502 [1,0,0,1,0,0|1,0,0]=3 135 B8R1.22 O=C1CCCCNC1 50109 [1,0,0,1,0,0|1,0,0]=3 136 B8R1.22 O=C1CCCOCC1 P12770 [1,0,0,1,0,0|1,0,0]=3 137 B8R1.22 O=C1CCNCCN1 58405 [1,0,0,1,0,0|2,0,0]=4 138 B8R1.22 O=C1CNCCNC1 77718 [1,0,0,1,0,0|2,0,0]=4 139 B8R1.22 O=C1CNCCOC1 P20266 [1,0,0,1,0,0|2,0,0]=4 140 B8R1.22 O=C1COCCCN1 71169 [1,0,0,1,0,0|2,0,0]=4 141 B8R1.22 O=C1OCCCCO1 D93115 [1,0,0,1,0,0|1,0,0]=3 142 B8R1.36 OCCCC[C@H]1CO1 F52608 [1,0,0,1,0,0|1,0,1]=4 143 B10R1.16 CCCC[C@H]1CCC(=O)O1 AC2057 [0,1,0,1,0,0|1,0,0]=3 144 B10R1.18 CC(=O)C=C1CCCCC1 W15953 [0,1,0,1,0,0|1,0,1]=4 145 B10R1.18 CC(=O)CC1CCCCC1 D84585 [0,1,0,1,0,0|1,0,0]=3 146 B10R1.18 CC(=O)NC1CCCCC1 A11899 [0,1,0,1,0,0|1,0,0]=3 147 B10R1.18 CC(=O)N[C@H]1CCCNC1 C77680 [0,1,0,1,0,0|2,0,0]=4 148 B10R1.18 NC(=S)NC1CCCCC1 T70976 [0,1,0,1,0,0|1,1,0]=4 149 B10R1.18 O=C(Cl)CC1CCOCC1 78876 [0,1,0,1,0,0|2,0,0]=4 150 B10R1.18 O=C(O)CC1CCNCC1 20237 [0,1,0,1,0,0|2,0,0]=4 151 B10R1.18 O=C(O)C[C@H]1CCCCN1 AC1464 [0,1,0,1,0,0|2,0,0]=4 152 B10R1.18 O=C(O)C[C@H]1CCCNC1 56293 [0,1,0,1,0,0|2,0,0]=4 153 B10R1.18 O=C(O)C[C@H]1CCCNC1 56295 [0,1,0,1,0,0|2,0,0]=4 154 B10R1.61 CC(C)[C@@H]1CNCCC1=O 20254 [0,1,0,1,0,0|2,0,0]=4 155 B10R1.61 CC1CCNCC1C(=O)O 85195 [0,1,0,1,0,0|2,0,0]=4 156 B10R1.61 CC1CNCCC1C(=O)O P12933 [0,1,0,1,0,0|2,0,0]=4 157 B10R1.61 CN1CCCC[C@H]1C(=O)O F14430 [0,1,0,1,0,0|2,0,0]=4 158 B10R1.61 CN1CCCC[C@H]1C(=O)O Y13554 [0,1,0,1,0,0|2,0,0]=4 159 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O 20637 [0,1,0,1,0,0|2,0,0]=4 160 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O 20800 [0,1,0,1,0,0|2,0,0]=4 161 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O F12968 [0,1,0,1,0,0|2,0,0]=4 162 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O F53490 [0,1,0,1,0,0|2,0,0]=4 163 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O F12964 [0,1,0,1,0,0|2,0,0]=4 164 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O F18377 [0,1,0,1,0,0|2,0,0]=4 165 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O P20265 [0,1,0,1,0,0|2,0,0]=4 166 B10R1.66 O=C(O)CC[C@H]1CCOC1 72506 [0,1,0,1,0,0|2,0,0]=4 167 B10R1.66 O=C(O)CNC1CCCC1 AB6936 [0,1,0,1,0,0|2,0,0]=4 168 B10R1.66 O=C(O)CNC1CCCC1 W15241 [0,1,0,1,0,0|2,0,0]=4 169 B10R1.78 O=C1CCCCCCCC1 AC8766 [0,1,0,1,0,0|1,0,0]=3 170 B10R1.78 O=C1CCCCCCCN1 D74918 [0,1,0,1,0,0|1,0,0]=3 171 B10R1.300 CC1(C)NCCCNC1=O D79437 [0,1,0,1,0,0|2,0,0]=4 172 B10R1.300 O=C1NCCCCC1(Br)Br 77966 [0,1,0,1,0,0|2,0,0]=4 173 B10R1.300 O=C1NCCCCC1(Cl)Cl W15271 [0,1,0,1,0,0|2,0,0]=4 174 B10R1.348 CC(=O)N1CCCNCC1 W19159 [0,1,0,1,0,0|2,0,0]=4 175 B10R1.348 N=C(N)C1CCCCCC1 A11705 [0,1,0,1,0,0|2,0,0]=4 176 B10R1.348 NC(=O)C1CCCCCC1 C72770 [0,1,0,1,0,0|1,0,0]=3 177 B10R1.348 O=C(Cl)C1CCCCCC1 D96414 [0,1,0,1,0,0|1,0,0]=3 178 B10R1.348 O=C(O)[C@@H]1CCCCCN1 I10217 [0,1,0,1,0,0|2,0,0]=4 179 B10R1.348 O=C(O)[C@H]1CCCCNC1 81143 [0,1,0,1,0,0|2,0,0]=4 180 B10R1.4 N#CC[C@H]1CCCCC1=O W15284 [0,1,0,1,0,0|1,0,1]=4 181 B10R1.17 BrCCOC1CCCCC1 C77571 [0,1,0,1,0,0|1,0,1]=4 182 B10R1.71 O=C1CCC(=O)OCCO1 D93050 [0,1,0,1,0,0|1,0,1]=4 183 B10R1.161 O=CC1CCCCCCC1 59424 [0,1,0,1,0,0|1,0,0]=3 184 B10R1.1 CCOC1CCC(N)CC1 AB9186 [0,1,0,1,0,0|1,0,1]=4 185 B10R1.1 CN1CCC(CC=O)CC1 Y10060 [0,1,0,1,0,0|2,0,0]=4 186 B10R1.2 CN1CCC[C@H](CN)C1=O 85553 [0,1,0,1,0,0|2,0,0]=4 187 B10R1.149 COC(=O)[C@@H]1CCOC1=O F31228 [0,1,0,1,0,0|1,0,1]=4 188 B10R1.275 CN1CCCC[C@H](N)C1=O 66077 [0,1,0,1,0,0|2,0,0]=4 189 B10R2.61 O=C1OC2C=CCC1C2 N13104 [0,0,0,2,0,0|0,0,2]=4 190 B10R2.178 O=C1NCC2CCC1N2 P17879 [0,0,0,2,0,0|2,0,0]=4 191 B10R2.7 C1CCC2COCC2C1 D93889 [0,0,0,2,0,0|1,0,1]=4 192 B10R2.62 O=C1CC2CCC1CC2 91055 [0,0,0,2,0,0|1,0,0]=3 193 B10R2.62 O=C1CC2CCC1CN2 P14923 [0,0,0,2,0,0|2,0,0]=4 194 B10R2.62 O=C1NC2CCC1CC2 38593 [0,0,0,2,0,0|1,0,0]=3 195 B10R2.3 O=C1CC[C@@]12CCOC2 84551 [0,0,0,2,0,0|2,0,0]=4 196 B10R2.32 O=C1CCC2CNCC12 P10378 [0,0,0,2,0,0|2,0,0]=4 197 B10R2.99 O=CC1CC2CCC1C2 23269 [0,0,0,2,0,0|1,0,0]=3 198 B10R2.15 O=C1NCCNC12CC2 F53392 [0,0,0,2,0,0|2,0,0]=4 199 B10R2.41 O=C1C2CCC1CNC2 P13354 [0,0,0,2,0,0|2,0,0]=4 200 B10R2.190 O=C1NCCC12CCC2 33677 [0,0,0,2,0,0|1,0,0]=3 201 B10R2.2 O=C1CC2CSCC2C1 38018 [0,0,0,2,0,0|2,0,0]=4 202 B10R2.2 O=C1C[C@H]2CSC[C@@H]2C1 AT14674 [0,0,0,2,0,0|2,0,0]=4 203 B10R2.2 O=C1NC2CCCC2O1 N10687 [0,0,0,2,0,0|1,0,0]=3