0 B9R0.2 C#CCCCCCC(=O)O AT11953 [0,0,0,0,0,0|0,0,2]=2 1 B9R0.2 C=CCCCCCC(=O)O I11997 [0,0,0,0,0,0|0,0,2]=2 2 B9R0.2 C=CCOCCCC(=O)O W18610 [0,0,0,0,0,0|1,0,2]=3 3 B9R0.2 CCCCCCCC(=O)[O-] F12023 [0,0,0,0,0,0|0,0,1]=1 4 B9R0.2 CCC\C=C/CCC(=O)O E70288 [0,0,0,0,0,0|0,0,2]=2 5 B9R0.2 COCCOCCC(=O)O C70448 [0,0,0,0,0,0|2,0,0]=2 6 B9R0.2 O=C(O)CNCCCCO 72467 [0,0,0,0,0,0|2,0,0]=2 7 B8R0.4 C=CCCCCCC=O N11873 [1,0,0,0,0,0|0,0,2]=3 8 B8R0.4 C=CCCCCCCI W11175 [1,0,0,0,0,0|2,0,0]=3 9 B8R0.4 COCCCCCCBr S10679 [1,0,0,0,0,0|2,0,1]=4 10 B8R0.4 NCCCOCCCO D84663 [1,0,0,0,0,0|2,0,1]=4 11 B8R0.4 OCCCOCCCO AT19326 [1,0,0,0,0,0|2,0,1]=4 12 B8R0.7 C#CCOCCC(=O)O 78672 [1,0,0,0,0,0|1,0,2]=4 13 B8R0.7 COCCNCC(=O)O W16095 [1,0,0,0,0,0|2,0,0]=3 14 B8R0.7 NCCCCCC(=O)O P19609 [1,0,0,0,0,0|1,0,0]=2 15 B8R0.7 NCCCCCC(N)=O AC6029 [1,0,0,0,0,0|2,0,0]=3 16 B8R0.7 O=C([O-])CCCCCO Y14708 [1,0,0,0,0,0|1,0,1]=3 17 B10R0.4 C#CCOCCOCC(=O)O AT11891 [0,1,0,0,0,0|1,0,2]=4 18 B10R0.4 C=CCCCCCC[C@H](C)O W11241 [0,1,0,0,0,0|1,0,2]=4 19 B10R0.4 CC(=O)NCCCCCCN D93510 [0,1,0,0,0,0|2,0,0]=3 20 B10R0.4 O=C(O)CCCCCCCO S10749 [0,1,0,0,0,0|0,0,0]=1 21 B10R0.6 NCCCC[C@H](N)CC(=O)O FD10061 [0,1,0,0,0,0|1,0,0]=2 22 B10R0.22 NCCCCCCS(=O)(=O)O S11941 [0,1,0,0,0,0|2,0,0]=3 23 B10R0.55 COC(=O)CCCCC(C)=O F16317 [0,1,0,0,0,0|2,0,1]=4 24 B10R0.74 NCC(=O)NCCCCCBr D84097 [0,1,0,0,0,0|3,0,0]=4 25 B10R0.75 CCCCCC[C@H](C)C(=O)Cl 13028 [0,1,0,0,0,0|1,0,0]=2 26 B10R0.78 CCCCC(=O)NCC(=O)O 81427 [0,1,0,0,0,0|1,0,1]=3 27 B10R0.78 CCCNC(=O)CCC(=O)O W18569 [0,1,0,0,0,0|1,0,1]=3 28 B10R0.97 O=C(O)CCNCCC(=O)O T72534 [0,1,0,0,0,0|2,0,1]=4 29 B10R0.97 O=C(O)CCOCCC(=O)O 90976 [0,1,0,0,0,0|2,0,1]=4 30 B10R1.16 CCCCC1OCC(C)O1 D93006 [0,0,0,1,0,0|2,0,1]=4 31 B10R1.16 CCCC[C@H]1CCC(=O)O1 AC2057 [0,0,0,1,0,0|0,0,0]=1 32 B10R1.18 CC(=O)C=C1CCCCC1 W15953 [0,0,0,1,0,0|1,0,2]=4 33 B10R1.18 CC(=O)CC1CCCCC1 D84585 [0,0,0,1,0,0|1,0,0]=2 34 B10R1.18 CC(=O)NC1CCCCC1 A11899 [0,0,0,1,0,0|2,0,0]=3 35 B10R1.18 CC(=O)N[C@H]1CCCNC1 C77680 [0,0,0,1,0,0|3,0,0]=4 36 B10R1.18 CN(C)CC1CCCCC1 78298 [0,0,0,1,0,0|3,0,0]=4 37 B10R1.18 NC(=S)NC1CCCCC1 T70976 [0,0,0,1,0,0|2,1,0]=4 38 B10R1.18 O=C(Cl)CC1CCOCC1 78876 [0,0,0,1,0,0|2,0,0]=3 39 B10R1.18 O=C(O)C=C1CCNCC1 D71979 [0,0,0,1,0,0|1,0,2]=4 40 B10R1.18 O=C(O)CC1CCNCC1 20237 [0,0,0,1,0,0|1,0,0]=2 41 B10R1.18 O=C(O)C[C@H]1CCCCN1 AC1464 [0,0,0,1,0,0|1,0,0]=2 42 B10R1.18 O=C(O)C[C@H]1CCCNC1 56293 [0,0,0,1,0,0|1,0,0]=2 43 B10R1.18 O=C(O)C[C@H]1CCCNC1 56295 [0,0,0,1,0,0|1,0,0]=2 44 B10R1.18 O=C(O)C[C@H]1CNCCO1 77652 [0,0,0,1,0,0|2,0,0]=3 45 B10R1.18 O=C(O)C[C@H]1CNCCO1 A50778 [0,0,0,1,0,0|2,0,0]=3 46 B10R1.18 O=C(O)C[C@H]1COCCN1 26941 [0,0,0,1,0,0|2,0,0]=3 47 B10R1.18 OB(O)CC1CCCCC1 W17229 [0,0,0,1,0,0|1,0,1]=3 48 B10R1.18 OB(O)CC1CCOCC1 AC8805 [0,0,0,1,0,0|2,0,1]=4 49 B10R1.61 CC1CCNCC1C(=O)O 85195 [0,0,0,1,0,0|1,0,0]=2 50 B10R1.61 CC1CNCCC1C(=O)O P12933 [0,0,0,1,0,0|1,0,0]=2 51 B10R1.61 CN1CCCC[C@H]1C(=O)O F14430 [0,0,0,1,0,0|1,0,0]=2 52 B10R1.61 CN1CCCC[C@H]1C(=O)O Y13554 [0,0,0,1,0,0|1,0,0]=2 53 B10R1.61 N[C@H]1CC=CC[C@H]1C(=O)O W15763 [0,0,0,1,0,0|1,0,2]=4 54 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O 20637 [0,0,0,1,0,0|1,0,0]=2 55 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O 20800 [0,0,0,1,0,0|1,0,0]=2 56 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O F12968 [0,0,0,1,0,0|1,0,0]=2 57 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O F53490 [0,0,0,1,0,0|1,0,0]=2 58 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O F12964 [0,0,0,1,0,0|1,0,0]=2 59 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O F18377 [0,0,0,1,0,0|1,0,0]=2 60 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O P20265 [0,0,0,1,0,0|1,0,0]=2 61 B10R1.61 N[C@H]1COCC[C@H]1C(=O)O 51259 [0,0,0,1,0,0|2,0,0]=3 62 B10R1.61 O=C([O-])[C@@H]1CCCCC1=O F11699 [0,0,0,1,0,0|1,0,2]=4 63 B10R1.66 O=C(O)CC[C@H]1CCOC1 72506 [0,0,0,1,0,0|1,0,0]=2 64 B10R1.66 O=C(O)CNC1CCCC1 AB6936 [0,0,0,1,0,0|1,0,0]=2 65 B10R1.66 O=C(O)CNC1CCCC1 W15241 [0,0,0,1,0,0|1,0,0]=2 66 B10R1.78 O=C1CCCCCCCC1 AC8766 [0,0,0,1,0,0|1,0,0]=2 67 B10R1.78 O=C1CCCCCCCN1 D74918 [0,0,0,1,0,0|1,0,0]=2 68 B10R1.86 O=C(O)[C@@H]1CCN1CCF P18441 [0,0,0,1,0,0|2,0,0]=3 69 B10R1.348 CC(=O)N1CCCNCC1 W19159 [0,0,0,1,0,0|3,0,0]=4 70 B10R1.348 N=C(N)C1CCCCCC1 A11705 [0,0,0,1,0,0|2,0,0]=3 71 B10R1.348 NC(=O)C1CCCCCC1 C72770 [0,0,0,1,0,0|1,0,0]=2 72 B10R1.348 O=C(Cl)C1CCCCCC1 D96414 [0,0,0,1,0,0|1,0,0]=2 73 B10R1.348 O=C(O)C1CCC=CCC1 C73071 [0,0,0,1,0,0|0,0,2]=3 74 B10R1.348 O=C(O)[C@@H]1CCCCCN1 I10217 [0,0,0,1,0,0|1,0,0]=2 75 B10R1.348 O=C(O)[C@H]1CCCCNC1 81143 [0,0,0,1,0,0|1,0,0]=2 76 B7R0.1 C=CCCCCNC R10008 [2,0,0,0,0,0|1,0,1]=4 77 B7R0.1 CCCNCCCO AB4057 [2,0,0,0,0,0|1,0,0]=3 78 B7R0.1 CNCCOCCO C70229 [2,0,0,0,0,0|2,0,0]=4 79 B7R0.1 COCOCCC=O 32199 [2,0,0,0,0,0|2,0,0]=4 80 B7R0.1 FCCCCCCBr A50948 [2,0,0,0,0,0|2,0,0]=4 81 B7R0.1 NCCCCCCBr D83295 [2,0,0,0,0,0|2,0,0]=4 82 B7R0.1 NCCCCCCS F31196 [2,0,0,0,0,0|1,1,0]=4 83 B7R0.1 NCCCOCCO W11222 [2,0,0,0,0,0|2,0,0]=4 84 B7R0.4 CC(=O)CCCCBr O11558 [2,0,0,0,0,0|2,0,0]=4 85 B7R0.4 CCCOCC(=O)O AC1647 [2,0,0,0,0,0|1,0,0]=3 86 B7R0.4 CCNCCC(N)=O AT24732 [2,0,0,0,0,0|2,0,0]=4 87 B7R0.4 CNCCCC(N)=O 21232 [2,0,0,0,0,0|2,0,0]=4 88 B7R0.4 COCCCC(=O)O 78063 [2,0,0,0,0,0|1,0,0]=3 89 B7R0.4 NCCNCC(=O)O FD21628 [2,0,0,0,0,0|2,0,0]=4 90 B9R0.5 CCCCC[C@H](O)CCO A10789 [1,1,0,0,0,0|0,0,1]=3 91 B9R0.5 CCOC(=O)CCCC=O N10598 [1,1,0,0,0,0|1,0,1]=4 92 B9R0.45 CCCCOCCCCO S11917 [1,1,0,0,0,0|0,0,1]=3 93 B9R0.45 CCCOCCOCCO D97202 [1,1,0,0,0,0|1,0,1]=4 94 B9R0.46 CCCCCC[C@H](O)CBr D93070 [1,1,0,0,0,0|1,0,1]=4 95 B9R0.4 CCCC[C@H](C)OC(=O)Cl S11041 [1,1,0,0,0,0|2,0,0]=4 96 B9R0.4 CSCC[C@H](N)CC(=O)O F12355 [1,1,0,0,0,0|1,0,0]=3 97 B9R0.4 CSCC[C@H](N)CC(=O)O FD10029 [1,1,0,0,0,0|1,0,0]=3 98 B9R0.4 CSCC[C@H](N)CC(=O)O FD10030 [1,1,0,0,0,0|1,0,0]=3 99 B9R0.38 NCCCCCS(=O)(=O)O D93036 [1,1,0,0,0,0|2,0,0]=4 100 B9R0.47 C=CCCC[C@H](N)C(=O)O F15996 [1,1,0,0,0,0|0,0,2]=4 101 B9R0.47 CCCCC[C@H](N)C(=O)O C10639 [1,1,0,0,0,0|0,0,0]=2 102 B9R0.47 CCCCC[C@H](N)C(=O)O C75217 [1,1,0,0,0,0|0,0,0]=2 103 B9R0.47 CCSCC[C@H](N)C(=O)O A12005 [1,1,0,0,0,0|1,0,0]=3 104 B9R0.47 NCCCC[C@H](N)C(=O)O F10821 [1,1,0,0,0,0|1,0,0]=3 105 B9R0.47 NCCSC[C@H](N)C(=O)O FD21310 [1,1,0,0,0,0|2,0,0]=4 106 B9R0.47 N[C@@H](CSCCO)C(=O)O AB10207 [1,1,0,0,0,0|2,0,0]=4 107 B9R0.55 CC(C)CCCCC(=O)O D95053 [1,1,0,0,0,0|0,0,0]=2 108 B11R0.30 CC(=O)CCCCCCC(C)=O C73196 [0,2,0,0,0,0|1,0,0]=3 109 B11R0.30 CC(C)\C=C\CCCCC(=O)Cl T73099 [0,2,0,0,0,0|1,0,1]=4 110 B11R0.30 CC(C)\C=C\CCCCC(=O)O C16043 [0,2,0,0,0,0|0,0,1]=3 111 B11R0.40 COC(=O)CCCCCCC#N D93832 [0,2,0,0,0,0|0,0,1]=3 112 B11R0.40 COC(=O)CCCCCCC=O D94271 [0,2,0,0,0,0|0,0,1]=3 113 B11R0.40 COC(=O)CCCCCCCBr D94848 [0,2,0,0,0,0|0,0,0]=2 114 B11R0.42 C=CCCCCC[C@H](N)C(=O)O C77165 [0,2,0,0,0,0|0,0,1]=3 115 B11R0.42 C=CCCCCC[C@H](N)C(=O)O D96783 [0,2,0,0,0,0|0,0,1]=3 116 B11R0.42 CCCCCCC[C@H](N)C(=O)O W18676 [0,2,0,0,0,0|0,0,0]=2 117 B11R0.46 CCCCOC(=O)CCC(=O)O S10462 [0,2,0,0,0,0|0,0,1]=3 118 B11R0.46 COCCOC(=O)CCC(=O)O D93560 [0,2,0,0,0,0|1,0,1]=4 119 B11R0.111 COC(=O)CCCCCC(=O)O A11369 [0,2,0,0,0,0|0,0,1]=3 120 B11R0.148 C#CCCCCCCCC(=O)O AT18721 [0,2,0,0,0,0|0,0,0]=2 121 B11R0.148 C#CCOCCOCCC(=O)O C70437 [0,2,0,0,0,0|0,0,2]=4 122 B11R0.148 CCCC\C=C/CCOC(C)=O D93562 [0,2,0,0,0,0|1,0,1]=4 123 B11R0.148 NCCCCCCCCC(=O)O D94864 [0,2,0,0,0,0|0,0,0]=2 124 B11R0.148 O=C(O)CCOCCOCCBr S10585 [0,2,0,0,0,0|1,0,0]=3 125 B11R0.176 CCOC(=O)CCCCC(N)=O 81596 [0,2,0,0,0,0|1,0,1]=4 126 B11R0.77 C=C[C@H](CCCCC)OC(C)=O D71009 [0,2,0,0,0,0|2,0,0]=4 127 B11R0.107 CCC(C)CCC(O)CC(=O)O A10745 [0,2,0,0,0,0|0,0,0]=2 128 B11R0.29 CC(=O)NCCC[C@H](N)C(=O)O 98373 [0,2,0,0,0,0|1,0,1]=4 129 B11R0.4 CCCCCCNC(=O)CCC W15994 [0,2,0,0,0,0|2,0,0]=4 130 B11R0.4 CCOC(=O)CCCCCC=O N10484 [0,2,0,0,0,0|1,0,1]=4 131 B9R1.5 CN1CCCNCC1=O 37932 [1,0,0,1,0,0|2,0,0]=4 132 B9R1.5 CN1CCCNCC1=O Y10016 [1,0,0,1,0,0|2,0,0]=4 133 B9R1.5 CN1CCNCCC1=O Y10618 [1,0,0,1,0,0|2,0,0]=4 134 B9R1.5 C[C@@H]1NCCCNC1=O F50270 [1,0,0,1,0,0|2,0,0]=4 135 B9R1.5 C[C@@H]1NCCCNC1=O F50344 [1,0,0,1,0,0|2,0,0]=4 136 B9R1.5 C[C@H]1CCNCCC1=O 73013 [1,0,0,1,0,0|1,0,0]=3 137 B9R1.5 N[C@H]1CCCCNC1=O A56020 [1,0,0,1,0,0|2,0,0]=4 138 B9R1.5 O=C1CCNCC[C@@H]1Br 98344 [1,0,0,1,0,0|2,0,0]=4 139 B9R1.5 O=C1CNCCC[C@@H]1F 72994 [1,0,0,1,0,0|2,0,0]=4 140 B9R1.8 CNCC1CCCCC1 F20557 [1,0,0,1,0,0|2,0,0]=4 141 B9R1.8 NCCC1CCCCC1 24486 [1,0,0,1,0,0|1,0,1]=4 142 B9R1.8 NCCC1CCCCC1 55664 [1,0,0,1,0,0|1,0,1]=4 143 B9R1.8 O=CCC1CCCCC1 11388 [1,0,0,1,0,0|0,0,0]=2 144 B9R1.8 OCCC1CCOCC1 62381 [1,0,0,1,0,0|1,0,1]=4 145 B9R1.8 OCC[C@H]1CCCCN1 62347 [1,0,0,1,0,0|1,0,1]=4 146 B9R1.8 OCC[C@H]1CCCCN1 88407 [1,0,0,1,0,0|1,0,1]=4 147 B9R1.8 OCC[C@H]1CCCCN1 F30243 [1,0,0,1,0,0|1,0,1]=4 148 B9R1.8 OCC[C@H]1CCCNC1 W17542 [1,0,0,1,0,0|1,0,1]=4 149 B9R1.12 OCCOC1CCCC1 31903 [1,0,0,1,0,0|1,0,1]=4 150 B9R1.15 CC1CCCCC1CN 72191 [1,0,0,1,0,0|1,0,1]=4 151 B9R1.15 CC1CCCNC1CO 72650 [1,0,0,1,0,0|1,0,1]=4 152 B9R1.15 CCN1CCNCC1=O W18927 [1,0,0,1,0,0|2,0,0]=4 153 B9R1.15 CC[C@@H]1NCCCC1=O 63470 [1,0,0,1,0,0|1,0,0]=3 154 B9R1.15 CN1CCCC[C@@H]1CO O10154 [1,0,0,1,0,0|1,0,1]=4 155 B9R1.15 CN1CCCC[C@@H]1CO O10190 [1,0,0,1,0,0|1,0,1]=4 156 B9R1.15 CN[C@H]1CCCC[C@@H]1O D94629 [1,0,0,1,0,0|1,0,1]=4 157 B9R1.15 CO[C@H]1CCCNC1=O O11031 [1,0,0,1,0,0|2,0,0]=4 158 B9R1.15 CO[C@H]1COCCC1=O 37648 [1,0,0,1,0,0|2,0,0]=4 159 B9R1.15 N[C@H]1CCCC[C@H]1CO P19621 [1,0,0,1,0,0|1,0,1]=4 160 B9R1.33 CN1CCC[C@@H]1CCO 27869 [1,0,0,1,0,0|1,0,1]=4 161 B9R1.33 CN1CCC[C@@H]1CCO 27876 [1,0,0,1,0,0|1,0,1]=4 162 B9R1.33 O=C1CCCN1CCBr C77640 [1,0,0,1,0,0|2,0,0]=4 163 B9R1.50 O=C1CNCCCNC1 77720 [1,0,0,1,0,0|2,0,0]=4 164 B9R1.50 O=C1NCCCCCN1 W17640 [1,0,0,1,0,0|2,0,0]=4 165 B9R1.50 O[C@@H]1C=CCCCCC1 AT23384 [1,0,0,1,0,0|2,0,0]=4 166 B9R1.89 N#CC1CCCCCC1 F53544 [1,0,0,1,0,0|1,0,1]=4 167 B9R1.89 NNC1CCCCCC1 AB1363 [1,0,0,1,0,0|2,0,0]=4 168 B9R1.89 OC[C@H]1CCCCCN1 C12372 [1,0,0,1,0,0|1,0,1]=4 169 B9R1.89 OC[C@H]1CCCCNC1 P12855 [1,0,0,1,0,0|1,0,1]=4 170 B9R1.103 C1CCCCNCCC1 T72630 [1,0,0,1,0,0|1,0,1]=4 171 B9R1.2 CCC1=CC(=O)CCC1 A10067 [1,0,0,1,0,0|1,0,1]=4 172 B9R1.2 CC[C@H]1CC(=O)CCO1 73975 [1,0,0,1,0,0|2,0,0]=4 173 B9R1.2 CC[C@H]1CNCC(=O)N1 D97274 [1,0,0,1,0,0|2,0,0]=4 174 B9R1.2 O=C1CCC[C@H](CO)C1 Y10198 [1,0,0,1,0,0|2,0,0]=4 175 B9R1.2 O=C1CCC[C@H](CO)N1 Y14667 [1,0,0,1,0,0|2,0,0]=4 176 B9R1.6 NC(=O)C1CCNCC1 C75011 [1,0,0,1,0,0|2,0,0]=4 177 B9R1.6 NC(=O)[C@H]1CCCNC1 37191 [1,0,0,1,0,0|2,0,0]=4 178 B9R1.6 NC(=O)[C@H]1CCCNC1 64553 [1,0,0,1,0,0|2,0,0]=4 179 B9R1.6 NC(=O)[C@H]1CCCNC1 69862 [1,0,0,1,0,0|2,0,0]=4 180 B9R1.6 O=C(O)C1CCSCC1 24425 [1,0,0,1,0,0|1,0,0]=3 181 B9R1.6 O=C(O)C1SCCCS1 W18220 [1,0,0,1,0,0|2,0,0]=4 182 B9R1.6 O=C(O)[C@@H]1CCCCO1 P15808 [1,0,0,1,0,0|1,0,0]=3 183 B9R1.6 O=C(O)[C@@H]1CCCCO1 P16420 [1,0,0,1,0,0|1,0,0]=3 184 B9R1.6 O=C(O)[C@@H]1CNCCN1 P16892 [1,0,0,1,0,0|2,0,0]=4 185 B9R1.6 O=C(O)[C@@H]1CNCCO1 77638 [1,0,0,1,0,0|2,0,0]=4 186 B9R1.6 O=C(O)[C@@H]1CNCCO1 F18966 [1,0,0,1,0,0|2,0,0]=4 187 B9R1.6 O=C(O)[C@@H]1CNCCO1 F19034 [1,0,0,1,0,0|2,0,0]=4 188 B9R1.6 O=C(O)[C@@H]1CNCCS1 F52105 [1,0,0,1,0,0|2,0,0]=4 189 B9R1.6 O=C(O)[C@@H]1COCCN1 24948 [1,0,0,1,0,0|2,0,0]=4 190 B9R1.6 O=C(O)[C@@H]1COCCN1 70235 [1,0,0,1,0,0|2,0,0]=4 191 B9R1.6 O=C(O)[C@@H]1COCCN1 70713 [1,0,0,1,0,0|2,0,0]=4 192 B9R1.6 O=C(O)[C@@H]1COCCO1 F31034 [1,0,0,1,0,0|2,0,0]=4 193 B9R1.6 O=C(O)[C@@H]1COCCO1 F31049 [1,0,0,1,0,0|2,0,0]=4 194 B9R1.6 O=C(O)[C@@H]1CSCCN1 66696 [1,0,0,1,0,0|2,0,0]=4 195 B9R1.6 O=C(O)[C@@H]1CSCCN1 77693 [1,0,0,1,0,0|2,0,0]=4 196 B9R1.6 O=C(O)[C@H]1CCCSC1 37673 [1,0,0,1,0,0|1,0,0]=3 197 B9R1.6 O=C(O)[C@H]1NCCCS1 C76501 [1,0,0,1,0,0|2,0,0]=4 198 B9R1.7 CCC[C@@H]1COC(=O)C1 S10720 [1,0,0,1,0,0|2,0,0]=4 199 B9R1.7 CCC[C@H]1CCC(=O)C1 A10517 [1,0,0,1,0,0|1,0,0]=3 200 B9R1.13 NC(=O)NC1CCCC1 W17339 [1,0,0,1,0,0|2,0,0]=4 201 B9R1.13 O=C(O)C[C@H]1CCCN1 70865 [1,0,0,1,0,0|1,0,0]=3 202 B9R1.13 O=C(O)C[C@H]1CCCN1 F11179 [1,0,0,1,0,0|1,0,0]=3 203 B9R1.13 O=C(O)C[C@H]1CCCN1 F12356 [1,0,0,1,0,0|1,0,0]=3 204 B9R1.13 O=C(O)C[C@H]1CCCN1 P10210 [1,0,0,1,0,0|1,0,0]=3 205 B9R1.13 O=C(O)C[C@H]1CCNC1 50100 [1,0,0,1,0,0|1,0,0]=3 206 B9R1.13 O=C(O)C[C@H]1CCNC1 P10779 [1,0,0,1,0,0|1,0,0]=3 207 B9R1.13 O=C(O)C[C@H]1CCOC1 68888 [1,0,0,1,0,0|1,0,0]=3 208 B9R1.13 O=C(O)C[C@H]1CCOC1 68890 [1,0,0,1,0,0|1,0,0]=3 209 B9R1.41 CN1CCC[C@H]1C(=O)O C74581 [1,0,0,1,0,0|1,0,0]=3 210 B9R1.41 NC(=O)[C@@H]1CCC[C@@H]1N D81146 [1,0,0,1,0,0|2,0,0]=4 211 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O C74853 [1,0,0,1,0,0|1,0,0]=3 212 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O C76009 [1,0,0,1,0,0|1,0,0]=3 213 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O F19718 [1,0,0,1,0,0|1,0,0]=3 214 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O AT13996 [1,0,0,1,0,0|1,0,0]=3 215 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O C10521 [1,0,0,1,0,0|1,0,0]=3 216 B9R1.41 O=C(O)C1CNCC1O 73173 [1,0,0,1,0,0|2,0,0]=4 217 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O 35596 [1,0,0,1,0,0|2,0,0]=4 218 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O 89327 [1,0,0,1,0,0|2,0,0]=4 219 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O P14663 [1,0,0,1,0,0|2,0,0]=4 220 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O P15465 [1,0,0,1,0,0|2,0,0]=4 221 B9R1.48 C[C@H]1CCCCC(=O)N1 W19298 [1,0,0,1,0,0|1,0,0]=3 222 B9R1.59 CCOC1CC1C(=O)O C77470 [1,0,0,1,0,0|1,0,0]=3 223 B9R1.84 O=C(O)CCC1CCC1 86885 [1,0,0,1,0,0|0,0,0]=2 224 B9R1.84 O=C(O)COC1CCC1 27934 [1,0,0,1,0,0|1,0,0]=3 225 B9R1.84 O=C(O)COC1CNC1 P19012 [1,0,0,1,0,0|2,0,0]=4 226 B9R1.84 O=C(O)\C=C\C1CCC1 F53092 [1,0,0,1,0,0|0,0,2]=4 227 B9R1.84 O=C([O-])CCN1CCC1 F50895 [1,0,0,1,0,0|1,0,1]=4 228 B9R1.86 CCC1CC1CC(=O)O D79896 [1,0,0,1,0,0|0,0,0]=2 229 B9R1.96 CCN1CC[C@H]1C(=O)O P15973 [1,0,0,1,0,0|1,0,0]=3 230 B9R1.96 N#CC1CCC1C(=O)O P15990 [1,0,0,1,0,0|1,0,1]=4 231 B11R1.157 CC1CCCC(CC(=O)O)C1 C77600 [0,1,0,1,0,0|0,0,0]=2 232 B11R1.565 CN1CCC[C@H](C(=O)O)CC1 63140 [0,1,0,1,0,0|1,0,0]=3 233 B11R1.565 O=C1CCC[C@H](C(=O)O)CC1 64810 [0,1,0,1,0,0|0,0,1]=3 234 B11R1.816 CCOC(=O)C1CC1C(=O)O F13206 [0,1,0,1,0,0|1,0,1]=4 235 B11R1.816 CCOC(=O)[C@H]1C[C@H]1C(=O)O 84970 [0,1,0,1,0,0|1,0,1]=4 236 B11R1.86 CN1CCCC[C@@H]1CC(=O)O 33486 [0,1,0,1,0,0|0,0,0]=2 237 B11R1.928 CC1(CC(=O)O)CCOCC1 D84903 [0,1,0,1,0,0|1,0,0]=3 238 B11R1.928 NC1(CC(=O)O)CCCCC1 25188 [0,1,0,1,0,0|0,0,0]=2 239 B11R1.928 NC1(CC(=O)O)CCCCC1 A50498 [0,1,0,1,0,0|0,0,0]=2 240 B11R1.20 CC(=O)NC1CCC(O)CC1 AC9234 [0,1,0,1,0,0|2,0,0]=4 241 B11R1.20 CC1CCC(CC(=O)O)CC1 74030 [0,1,0,1,0,0|0,0,0]=2 242 B11R1.20 CC1CCN(CC(=O)O)CC1 A50525 [0,1,0,1,0,0|1,0,0]=3 243 B11R1.20 CN1CCC(CC(=O)O)CC1 28183 [0,1,0,1,0,0|1,0,0]=3 244 B11R1.20 N[C@H]1CC[C@H](CC(=O)O)CC1 91099 [0,1,0,1,0,0|0,0,0]=2 245 B11R1.20 O=C(O)CC1CCC(=O)CC1 AB7696 [0,1,0,1,0,0|0,0,1]=3 246 B11R1.20 O=C(O)CC1CCC(O)CC1 C10165 [0,1,0,1,0,0|0,0,0]=2 247 B11R1.20 O=C(O)CN1CCC(=O)CC1 W10202 [0,1,0,1,0,0|1,0,1]=4 248 B11R1.870 COC(=O)C1CCC1C(=O)O P18466 [0,1,0,1,0,0|1,0,1]=4 249 B11R1.870 COC(=O)[C@H]1CC[C@@H]1C(=O)O 55055 [0,1,0,1,0,0|1,0,1]=4 250 B11R1.870 COC(=O)[C@H]1CC[C@H]1C(=O)O 37911 [0,1,0,1,0,0|1,0,1]=4 251 B11R1.870 COC(=O)[C@H]1CC[C@H]1C(=O)O AT10515 [0,1,0,1,0,0|1,0,1]=4 252 B11R1.1 CCCOC1CCC(=O)CC1 O11282 [0,1,0,1,0,0|2,0,0]=4 253 B11R1.25 COC(=O)CCC1CCCC1 AB7510 [0,1,0,1,0,0|0,0,0]=2 254 B11R1.25 COC(=O)CC[C@H]1CCNC1 37986 [0,1,0,1,0,0|1,0,0]=3 255 B11R1.25 O=C(CCl)NCC1CCCC1 W16061 [0,1,0,1,0,0|2,0,0]=4 256 B11R1.40 CCC(=O)NC1CCCCC1 D93363 [0,1,0,1,0,0|2,0,0]=4 257 B11R1.40 COC(=O)CN1CCNCC1 20983 [0,1,0,1,0,0|2,0,0]=4 258 B11R1.40 COC(=O)C[C@H]1CCCNC1 64247 [0,1,0,1,0,0|1,0,0]=3 259 B11R1.40 COC(=O)C[C@H]1CCCNC1 64248 [0,1,0,1,0,0|1,0,0]=3 260 B11R1.40 COC(=O)C[C@H]1COCCN1 67400 [0,1,0,1,0,0|2,0,0]=4 261 B11R1.222 COC(=O)C1CCNCC1C P18679 [0,1,0,1,0,0|1,0,0]=3 262 B11R1.222 COC(=O)C1CNCCC1C 85191 [0,1,0,1,0,0|1,0,0]=3 263 B11R1.222 COC(=O)[C@@H]1CNCCN1C C15749 [0,1,0,1,0,0|2,0,0]=4 264 B11R1.222 COC(=O)[C@@H]1COCC[C@@H]1N P18320 [0,1,0,1,0,0|2,0,0]=4 265 B11R1.222 COC(=O)[C@H]1CCCC[C@@H]1N AB11610 [0,1,0,1,0,0|1,0,0]=3 266 B11R1.222 COC(=O)[C@H]1CCCC[C@@H]1N P16222 [0,1,0,1,0,0|1,0,0]=3 267 B11R1.222 COC(=O)[C@H]1CCNC[C@H]1C 60938 [0,1,0,1,0,0|1,0,0]=3 268 B11R1.222 COC(=O)[C@H]1CNCC[C@H]1C P16722 [0,1,0,1,0,0|1,0,0]=3 269 B11R1.852 COC(=O)C1CCCCCC1 70466 [0,1,0,1,0,0|0,0,0]=2 270 B11R1.852 COC(=O)N1CCCNCC1 72804 [0,1,0,1,0,0|2,0,0]=4 271 B11R1.852 COC(=O)[C@H]1CCCNCC1 P12663 [0,1,0,1,0,0|1,0,0]=3 272 B11R1.35 NC(CC1CCOC1)C(=O)O 67425 [0,1,0,1,0,0|1,0,0]=3 273 B11R1.35 N[C@@H](CC1CCCC1)C(=O)O 59428 [0,1,0,1,0,0|0,0,0]=2 274 B11R1.35 N[C@@H](CC1CCCC1)C(=O)O A50289 [0,1,0,1,0,0|0,0,0]=2 275 B11R1.36 C[C@@H](C(=O)O)N1CCOCC1 AC8937 [0,1,0,1,0,0|2,0,0]=4 276 B11R1.36 C[C@H](C(=O)O)C1CCCCC1 C75828 [0,1,0,1,0,0|0,0,0]=2 277 B11R1.36 NC(C(=O)O)C1CCCCN1 65570 [0,1,0,1,0,0|1,0,0]=3 278 B11R1.36 NC(C(=O)O)C1CCCOC1 67371 [0,1,0,1,0,0|1,0,0]=3 279 B11R1.36 N[C@H](C(=O)O)C1CCOCC1 50748 [0,1,0,1,0,0|1,0,0]=3 280 B11R1.36 N[C@H](C(=O)O)C1CCOCC1 69702 [0,1,0,1,0,0|1,0,0]=3 281 B11R1.36 N[C@H](C(=O)O)C1CCOCC1 69703 [0,1,0,1,0,0|1,0,0]=3 282 B11R1.36 N[C@H](C(=O)O)C1CCOCC1 Y10358 [0,1,0,1,0,0|1,0,0]=3 283 B11R1.211 O=C(O)C1CC(OCCF)C1 D79231 [0,1,0,1,0,0|2,0,0]=4 284 B11R1.737 NC1(C(=O)O)CCCCCC1 29636 [0,1,0,1,0,0|0,0,0]=2 285 B11R1.177 CC1(C)SCCN[C@@H]1C(=O)O 38086 [0,1,0,1,0,0|2,0,0]=4 286 B11R1.177 O=C(O)[C@H]1CCCCC1(F)F W16640 [0,1,0,1,0,0|1,0,0]=3 287 B11R1.177 O=C(O)[C@H]1CCNCC1(F)F P14894 [0,1,0,1,0,0|2,0,0]=4 288 B11R1.178 CC(C)N1CCC[C@H]1C(=O)O 62911 [0,1,0,1,0,0|1,0,0]=3 289 B11R1.178 CC(C)[C@H]1CNC[C@@H]1C(=O)O C13812 [0,1,0,1,0,0|1,0,0]=3 290 B11R2.106 O=C1CNC[C@@H]2CCCN12 90665 [0,0,0,2,0,0|2,0,0]=4 291 B11R2.106 O=C1CNC[C@@H]2CCCN12 Y11147 [0,0,0,2,0,0|2,0,0]=4 292 B11R2.678 O=C1CC2CCCC(C1)N2 CS1263 [0,0,0,2,0,0|2,0,0]=4 293 B11R2.1478 O=C1CC2(CCC2)CCN1 D81334 [0,0,0,2,0,0|2,0,0]=4 294 B11R2.1478 O=C1CCOC2(CCC2)C1 57397 [0,0,0,2,0,0|2,0,0]=4 295 B11R2.1 O=C1CC[C@H]2CNCCN12 37767 [0,0,0,2,0,0|2,0,0]=4 296 B11R2.1 O=C1CC[C@H]2CNCCN12 P15533 [0,0,0,2,0,0|2,0,0]=4 297 B11R2.1 O=C1NC[C@@H]2CCNC[C@H]12 P15471 [0,0,0,2,0,0|2,0,0]=4 298 B11R2.1 O=C1OCC2CCCCC12 D93790 [0,0,0,2,0,0|0,0,0]=2 299 B11R2.1 O=C1OC[C@H]2CNCCN12 62156 [0,0,0,2,0,0|2,0,0]=4 300 B11R2.703 O=C1CC2(CCCCC2)C1 W16071 [0,0,0,2,0,0|1,0,0]=3 301 B11R2.703 O=C1CC2(CCNCC2)C1 32032 [0,0,0,2,0,0|2,0,0]=4 302 B11R2.703 O=C1CC2(CCNCC2)N1 83090 [0,0,0,2,0,0|2,0,0]=4 303 B11R2.703 O=C1CC2(CCOCC2)C1 P16619 [0,0,0,2,0,0|2,0,0]=4 304 B11R2.703 O=C1C[C@@]2(CCCNC2)N1 P17665 [0,0,0,2,0,0|2,0,0]=4 305 B11R2.824 O=C(O)C1C2CCC1CC2 C12122 [0,0,0,2,0,0|0,0,0]=2 306 B11R2.860 O=C(O)CC1C2CNCC21 D79300 [0,0,0,2,0,0|1,0,0]=3 307 B11R2.845 O=C(O)C1NC2CCC1C2 P10477 [0,0,0,2,0,0|1,0,0]=3 308 B11R2.845 O=C(O)[C@@H]1C[C@H]2CC[C@@H]1O2 W14576 [0,0,0,2,0,0|1,0,0]=3 309 B11R2.845 O=C(O)[C@H]1N[C@@H]2CC[C@H]1C2 P10586 [0,0,0,2,0,0|1,0,0]=3 310 B11R2.845 O=C([O-])[C@H]1C[C@@H]2CC[C@H]1C2 12454 [0,0,0,2,0,0|0,0,1]=3