0 B9R0.13 CCCC[C@H](CC)C(=O)O 86085 [0,0,0,0,0,0|2,0,0]=2 1 B9R0.13 CCCC[C@H](CC)C(=O)O 86086 [0,0,0,0,0,0|2,0,0]=2 2 B8R0.8 CCCC[C@H](N)C(N)=O C77276 [1,0,0,0,0,0|2,0,0]=3 3 B8R0.8 CCCC[C@H](O)C(=O)O C11377 [1,0,0,0,0,0|1,0,0]=2 4 B8R0.8 C[Se]CC[C@H](N)C(=O)O F20529 [1,0,0,0,0,0|3,0,0]=4 5 B8R0.15 CCC[C@@H](CO)C(=O)O 62408 [1,0,0,0,0,0|1,0,0]=2 6 B8R0.15 CCC[C@H](CC)C(=O)O F19344 [1,0,0,0,0,0|2,0,0]=3 7 B10R0.88 CCC[C@@H](CCCO)C(=O)[O-] D93751 [0,1,0,0,0,0|3,0,0]=4 8 B10R1.13 CC(=O)N1CCC(Cl)CC1 C73926 [0,0,0,1,0,0|3,0,0]=4 9 B10R1.13 CC(=O)N1CCN(C)CC1 AB1017 [0,0,0,1,0,0|3,0,0]=4 10 B10R1.13 CC(=O)N1CCN(C)CC1 Y10612 [0,0,0,1,0,0|3,0,0]=4 11 B10R1.13 CC(=O)[C@@H]1CC=C(C)CC1 25854 [0,0,0,1,0,0|1,0,1]=3 12 B10R1.13 CC1=CC[C@@H](C(=O)O)CC1 71380 [0,0,0,1,0,0|2,0,1]=4 13 B10R1.13 CC1CCC(C(=O)O)CN1 50062 [0,0,0,1,0,0|2,0,0]=3 14 B10R1.13 CC1CCC(C(=O)O)CN1 AT20796 [0,0,0,1,0,0|2,0,0]=3 15 B10R1.13 CC1COC(C(=O)O)CN1 F18937 [0,0,0,1,0,0|3,0,0]=4 16 B10R1.13 CN1CCC(C(N)=O)CC1 AB1540 [0,0,0,1,0,0|3,0,0]=4 17 B10R1.13 O=C(O)C1CCC(F)CC1 P15397 [0,0,0,1,0,0|3,0,0]=4 18 B10R1.13 O=C(O)[C@H]1CC[C@@H](F)CC1 P16645 [0,0,0,1,0,0|3,0,0]=4 19 B10R1.13 O=C(O)[C@H]1CC[C@H](F)CC1 P16816 [0,0,0,1,0,0|3,0,0]=4 20 B10R1.31 CC(=O)N1CC[C@H](CO)C1 N10632 [0,0,0,1,0,0|3,0,0]=4 21 B10R1.31 CC(=O)N1CC[C@H](CO)C1 P18801 [0,0,0,1,0,0|3,0,0]=4 22 B10R1.61 CC(=O)N1CCCCC1=O 50302 [0,0,0,1,0,0|1,0,2]=4 23 B10R1.61 CC(C)C1CCCCC1O C77548 [0,0,0,1,0,0|1,0,1]=3 24 B10R1.61 CC1CCNCC1C(=O)O 85195 [0,0,0,1,0,0|3,0,0]=4 25 B10R1.61 CC1CNCCC1C(=O)O P12933 [0,0,0,1,0,0|3,0,0]=4 26 B10R1.61 CN(C)[C@H]1CCCC[C@@H]1N C15575 [0,0,0,1,0,0|3,0,0]=4 27 B10R1.61 CN(C)[C@H]1CCCC[C@@H]1N F16515 [0,0,0,1,0,0|3,0,0]=4 28 B10R1.61 CN1CCCC[C@H]1C(=O)O F14430 [0,0,0,1,0,0|3,0,0]=4 29 B10R1.61 CN1CCCC[C@H]1C(=O)O Y13554 [0,0,0,1,0,0|3,0,0]=4 30 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O 20637 [0,0,0,1,0,0|2,0,0]=3 31 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O 20800 [0,0,0,1,0,0|2,0,0]=3 32 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O F12968 [0,0,0,1,0,0|2,0,0]=3 33 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O F53490 [0,0,0,1,0,0|2,0,0]=3 34 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O F12964 [0,0,0,1,0,0|2,0,0]=3 35 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O F18377 [0,0,0,1,0,0|2,0,0]=3 36 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O P20265 [0,0,0,1,0,0|2,0,0]=3 37 B10R1.61 N[C@H]1COCC[C@H]1C(=O)O 51259 [0,0,0,1,0,0|3,0,0]=4 38 B10R1.61 O=C([O-])[C@@H]1CCCCC1=O F11699 [0,0,0,1,0,0|1,0,2]=4 39 B10R1.219 CC(=O)[C@@H](C#N)C1CCC1 55424 [0,0,0,1,0,0|1,0,1]=3 40 B10R1.348 CC(=O)N1CCCNCC1 W19159 [0,0,0,1,0,0|3,0,0]=4 41 B10R1.348 CN(C)[C@H]1CCCCNC1 F17126 [0,0,0,1,0,0|3,0,0]=4 42 B10R1.348 N=C(N)C1CCCCCC1 A11705 [0,0,0,1,0,0|3,0,0]=4 43 B10R1.348 NC(=O)C1CCCCCC1 C72770 [0,0,0,1,0,0|2,0,0]=3 44 B10R1.348 O=C(Cl)C1CCCCCC1 D96414 [0,0,0,1,0,0|2,0,0]=3 45 B10R1.348 O=C(O)[C@@H]1CCCCCN1 I10217 [0,0,0,1,0,0|3,0,0]=4 46 B10R1.348 O=C(O)[C@H]1CCCCNC1 81143 [0,0,0,1,0,0|2,0,0]=3 47 B10R1.477 CC[C@@]1(C(=O)O)CCCN1 85146 [0,0,0,1,0,0|3,0,0]=4 48 B10R1.477 O=C(O)C1(CO)CCCC1 A50603 [0,0,0,1,0,0|1,0,0]=2 49 B10R0.87 CCCC[C@H](CC)CC(=O)O A10554 [0,0,0,0,0,1|2,0,0]=3 50 B10R0.87 CCCC[C@H](CC)OC(C)=O 73884 [0,0,0,0,0,1|1,0,0]=2 51 B7R0.4 CC(=O)CCCCBr O11558 [2,0,0,0,0,0|1,0,0]=3 52 B7R0.4 CC(=O)OCCCBr C75766 [2,0,0,0,0,0|2,0,0]=4 53 B7R0.4 CCCOCC(=O)O AC1647 [2,0,0,0,0,0|2,0,0]=4 54 B7R0.4 CCNCCC(N)=O AT24732 [2,0,0,0,0,0|2,0,0]=4 55 B7R0.4 CNCCCC(N)=O 21232 [2,0,0,0,0,0|2,0,0]=4 56 B7R0.4 COCCCC(=O)O 78063 [2,0,0,0,0,0|2,0,0]=4 57 B7R0.5 CC(=O)[C@@H](Cl)CCO 74627 [2,0,0,0,0,0|2,0,0]=4 58 B7R0.5 CCC[C@H](O)C(=O)O 77792 [2,0,0,0,0,0|1,0,0]=3 59 B7R0.12 CCCC(CO)CO AB7729 [2,0,0,0,0,0|0,0,2]=4 60 B7R0.12 CCN[C@@H](CC)CO 29377 [2,0,0,0,0,0|1,0,1]=4 61 B7R0.15 CC[C@@H](CO)C(C)C C74656 [2,0,0,0,0,0|1,0,1]=4 62 B7R0.15 CN[C@@H](CO)C(=O)O F11106 [2,0,0,0,0,0|2,0,0]=4 63 B9R0.8 CNC(=O)[C@@H](Br)CCCBr AC6474 [1,1,0,0,0,0|2,0,0]=4 64 B9R0.47 CCCCC[C@H](N)C(=O)O C10639 [1,1,0,0,0,0|2,0,0]=4 65 B9R0.47 CCCCC[C@H](N)C(=O)O C75217 [1,1,0,0,0,0|2,0,0]=4 66 B9R0.47 CCSCC[C@H](N)C(=O)O A12005 [1,1,0,0,0,0|2,0,0]=4 67 B9R0.47 NCCCC[C@H](N)C(=O)O F10821 [1,1,0,0,0,0|2,0,0]=4 68 B9R0.51 C[C@](N)(CCCN)C(=O)O F11646 [1,1,0,0,0,0|2,0,0]=4 69 B9R0.43 CCC(CO)CCC(C)O D97248 [1,1,0,0,0,0|0,0,1]=3 70 B9R0.15 CCCC(CCC)C(=O)O C76453 [1,1,0,0,0,0|2,0,0]=4 71 B9R0.15 CCCC(CCC)C(N)=O A12328 [1,1,0,0,0,0|2,0,0]=4 72 B9R0.33 CCCC(C(=O)O)C(=O)O O10851 [1,1,0,0,0,0|1,0,1]=4 73 B9R0.74 CCC[C@](C)(CC)C(=O)O 27935 [1,1,0,0,0,0|2,0,0]=4 74 B11R0.77 C=C[C@H](CCCCC)OC(C)=O D71009 [0,1,0,0,0,1|1,0,1]=4 75 B11R0.160 CCCC[C@@H](CC(=O)O)C(=O)O D92887 [0,1,0,0,0,1|1,0,1]=4 76 B9R1.5 CN1CCCNCC1=O 37932 [1,0,0,1,0,0|2,0,0]=4 77 B9R1.5 CN1CCCNCC1=O Y10016 [1,0,0,1,0,0|2,0,0]=4 78 B9R1.5 CN1CCNCCC1=O Y10618 [1,0,0,1,0,0|2,0,0]=4 79 B9R1.5 C[C@@H]1NCCCNC1=O F50270 [1,0,0,1,0,0|2,0,0]=4 80 B9R1.5 C[C@@H]1NCCCNC1=O F50344 [1,0,0,1,0,0|2,0,0]=4 81 B9R1.5 C[C@H]1CCNCCC1=O 73013 [1,0,0,1,0,0|1,0,0]=3 82 B9R1.5 N[C@H]1CCCCNC1=O A56020 [1,0,0,1,0,0|2,0,0]=4 83 B9R1.5 O=C1CCNCC[C@@H]1Br 98344 [1,0,0,1,0,0|2,0,0]=4 84 B9R1.5 O=C1CNCCC[C@@H]1F 72994 [1,0,0,1,0,0|2,0,0]=4 85 B9R1.6 CC(=O)[C@@H]1CNCCO1 90399 [1,0,0,1,0,0|1,0,0]=3 86 B9R1.6 C[C@H](N)C1CCCCC1 N11990 [1,0,0,1,0,0|1,0,1]=4 87 B9R1.6 NC(=O)C1CCNCC1 C75011 [1,0,0,1,0,0|2,0,0]=4 88 B9R1.6 NC(=O)[C@H]1CCCNC1 37191 [1,0,0,1,0,0|2,0,0]=4 89 B9R1.6 NC(=O)[C@H]1CCCNC1 64553 [1,0,0,1,0,0|2,0,0]=4 90 B9R1.6 NC(=O)[C@H]1CCCNC1 69862 [1,0,0,1,0,0|2,0,0]=4 91 B9R1.6 O=C(O)C1CCSCC1 24425 [1,0,0,1,0,0|2,0,0]=4 92 B9R1.6 O=C(O)[C@@H]1CCCCO1 P15808 [1,0,0,1,0,0|1,0,0]=3 93 B9R1.6 O=C(O)[C@@H]1CCCCO1 P16420 [1,0,0,1,0,0|1,0,0]=3 94 B9R1.6 O=C(O)[C@@H]1CNCCO1 77638 [1,0,0,1,0,0|2,0,0]=4 95 B9R1.6 O=C(O)[C@@H]1CNCCO1 F18966 [1,0,0,1,0,0|2,0,0]=4 96 B9R1.6 O=C(O)[C@@H]1CNCCO1 F19034 [1,0,0,1,0,0|2,0,0]=4 97 B9R1.6 O=C(O)[C@@H]1COCCO1 F31034 [1,0,0,1,0,0|2,0,0]=4 98 B9R1.6 O=C(O)[C@@H]1COCCO1 F31049 [1,0,0,1,0,0|2,0,0]=4 99 B9R1.6 O=C(O)[C@H]1CCCSC1 37673 [1,0,0,1,0,0|2,0,0]=4 100 B9R1.23 CN1C[C@@H](CI)CC1=O P20724 [1,0,0,1,0,0|2,0,0]=4 101 B9R1.23 CN1C[C@@H](CN)CC1=O P10769 [1,0,0,1,0,0|2,0,0]=4 102 B9R1.35 CC(=O)N1CC[C@H](N)C1 AT25019 [1,0,0,1,0,0|2,0,0]=4 103 B9R1.35 CN1CC[C@H](C(=O)O)C1 38443 [1,0,0,1,0,0|2,0,0]=4 104 B9R1.35 CN1CC[C@H](C(=O)O)C1 P12609 [1,0,0,1,0,0|2,0,0]=4 105 B9R1.35 C[C@@H]1CN[C@H](C(=O)O)C1 63832 [1,0,0,1,0,0|2,0,0]=4 106 B9R1.35 C[C@@H]1CN[C@H](C(=O)O)C1 63834 [1,0,0,1,0,0|2,0,0]=4 107 B9R1.35 C[C@H]1CC[C@@H](C(=O)O)N1 D96519 [1,0,0,1,0,0|2,0,0]=4 108 B9R1.35 C[C@H]1CC[C@@H](C(=O)O)O1 W10212 [1,0,0,1,0,0|1,0,0]=3 109 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 72571 [1,0,0,1,0,0|2,0,0]=4 110 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 D87633 [1,0,0,1,0,0|2,0,0]=4 111 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 P13660 [1,0,0,1,0,0|2,0,0]=4 112 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 P16415 [1,0,0,1,0,0|2,0,0]=4 113 B9R1.35 O=C(O)C1CCC(O)C1 D70618 [1,0,0,1,0,0|2,0,0]=4 114 B9R1.59 CCOC1CC1C(=O)O C77470 [1,0,0,1,0,0|2,0,0]=4 115 B9R1.69 CC1CCC(C)C(=O)C1 T71472 [1,0,0,1,0,0|0,0,0]=2 116 B9R1.95 CC(=O)N1CC(CO)C1 21091 [1,0,0,1,0,0|2,0,0]=4 117 B9R1.95 CCC1CC(C(=O)O)C1 20648 [1,0,0,1,0,0|1,0,0]=3 118 B9R1.95 COC1CC(C(=O)O)C1 P10644 [1,0,0,1,0,0|2,0,0]=4 119 B9R1.95 CO[C@H]1C[C@@H](C(=O)O)C1 38899 [1,0,0,1,0,0|2,0,0]=4 120 B9R1.95 CO[C@H]1C[C@H](C(=O)O)C1 38900 [1,0,0,1,0,0|2,0,0]=4 121 B9R1.95 NCC1CC(C(=O)O)C1 86804 [1,0,0,1,0,0|2,0,0]=4 122 B9R1.95 O=C(O)C1CC(CBr)C1 D79069 [1,0,0,1,0,0|2,0,0]=4 123 B9R1.95 O=C(O)C1CC(CF)C1 D97099 [1,0,0,1,0,0|2,0,0]=4 124 B9R1.95 O=C(O)C1CC(CO)C1 70868 [1,0,0,1,0,0|2,0,0]=4 125 B9R1.110 CC(=O)N(C)C1CNC1 37722 [1,0,0,1,0,0|2,0,0]=4 126 B9R1.110 C[C@H](C(=O)O)C1CNC1 D96727 [1,0,0,1,0,0|2,0,0]=4 127 B9R1.110 N[C@H](C(=O)O)C1CCC1 67397 [1,0,0,1,0,0|2,0,0]=4 128 B9R1.110 N[C@H](C(=O)O)C1CCC1 67404 [1,0,0,1,0,0|2,0,0]=4 129 B9R1.112 NC(=O)[C@@H](N)CC1CC1 P18029 [1,0,0,1,0,0|2,0,0]=4 130 B9R1.112 N[C@@H](CC1CC1)C(=O)O 51303 [1,0,0,1,0,0|2,0,0]=4 131 B9R1.112 N[C@@H](CC1CC1)C(=O)O 67427 [1,0,0,1,0,0|2,0,0]=4 132 B9R1.163 CC(=O)C1(O)CCCC1 AB1008 [1,0,0,1,0,0|0,0,0]=2 133 B9R1.163 CC1(C(=O)O)CCCC1 D78698 [1,0,0,1,0,0|1,0,0]=3 134 B9R1.163 C[C@@]1(C(N)=O)CCCN1 32506 [1,0,0,1,0,0|2,0,0]=4 135 B9R1.163 C[C@]1(C(=O)O)CCNC1 C14721 [1,0,0,1,0,0|2,0,0]=4 136 B9R1.163 C[C@]1(C(=O)O)CCNC1 D79549 [1,0,0,1,0,0|2,0,0]=4 137 B9R1.163 C[C@]1(C(=O)O)CCNC1 F13601 [1,0,0,1,0,0|2,0,0]=4 138 B9R1.163 C[C@]1(C(=O)O)CCOC1 38928 [1,0,0,1,0,0|2,0,0]=4 139 B9R1.163 O=C(O)C1(F)CCCC1 85749 [1,0,0,1,0,0|2,0,0]=4 140 B9R1.1 CC1CCC(CO)CN1 72671 [1,0,0,1,0,0|1,0,1]=4 141 B9R1.1 CC1CCC(CO)NC1 73032 [1,0,0,1,0,0|1,0,0]=3 142 B9R1.1 CN1CC=C(CO)CC1 AC1022 [1,0,0,1,0,0|1,0,1]=4 143 B9R1.1 C[C@@H]1CC[C@H](CO)CN1 P15861 [1,0,0,1,0,0|1,0,1]=4 144 B9R1.1 C[C@@H]1CN[C@@H](CO)CN1 90048 [1,0,0,1,0,0|2,0,0]=4 145 B9R1.1 C[C@@H]1CN[C@@H](CO)CN1 AT10023 [1,0,0,1,0,0|2,0,0]=4 146 B9R1.1 N[C@H]1CC[C@@H](CO)CC1 39277 [1,0,0,1,0,0|1,0,1]=4 147 B9R1.1 OC[C@H]1CC[C@@H](O)CC1 P19128 [1,0,0,1,0,0|1,0,1]=4 148 B9R1.1 OC[C@H]1CC[C@H](O)CC1 T72373 [1,0,0,1,0,0|1,0,1]=4 149 B9R1.15 CC1CCCCC1CN 72191 [1,0,0,1,0,0|1,0,1]=4 150 B9R1.15 CC1CCCNC1CO 72650 [1,0,0,1,0,0|1,0,1]=4 151 B9R1.15 CC[C@@H]1NCCCC1=O 63470 [1,0,0,1,0,0|2,0,0]=4 152 B9R1.15 CN1CCCC[C@@H]1CBr Y13498 [1,0,0,1,0,0|2,0,0]=4 153 B9R1.15 CN1CCCC[C@@H]1CCl F11618 [1,0,0,1,0,0|2,0,0]=4 154 B9R1.15 CN1CCCC[C@@H]1CN C72724 [1,0,0,1,0,0|2,0,0]=4 155 B9R1.15 CN1CCCC[C@@H]1CO O10154 [1,0,0,1,0,0|1,0,0]=3 156 B9R1.15 CN1CCCC[C@@H]1CO O10190 [1,0,0,1,0,0|1,0,0]=3 157 B9R1.15 CN1CCNC[C@@H]1CO D85973 [1,0,0,1,0,0|2,0,0]=4 158 B9R1.15 CN1CCOC[C@@H]1CO 77628 [1,0,0,1,0,0|2,0,0]=4 159 B9R1.15 CN1CCOC[C@@H]1CO 77629 [1,0,0,1,0,0|2,0,0]=4 160 B9R1.15 CN1CCOC[C@@H]1CO W17675 [1,0,0,1,0,0|2,0,0]=4 161 B9R1.15 CN[C@H]1CCCC[C@@H]1O D94629 [1,0,0,1,0,0|1,0,0]=3 162 B9R1.15 COC1CCCCC1N O10822 [1,0,0,1,0,0|2,0,0]=4 163 B9R1.15 CO[C@H]1CCCC[C@@H]1N 89667 [1,0,0,1,0,0|2,0,0]=4 164 B9R1.15 CO[C@H]1CCCC[C@@H]1N P19687 [1,0,0,1,0,0|2,0,0]=4 165 B9R1.15 CO[C@H]1CCCC[C@H]1N D96624 [1,0,0,1,0,0|2,0,0]=4 166 B9R1.15 CO[C@H]1CCCC[C@H]1N P20243 [1,0,0,1,0,0|2,0,0]=4 167 B9R1.15 CO[C@H]1CCNC[C@@H]1O P15068 [1,0,0,1,0,0|2,0,0]=4 168 B9R1.15 N[C@H]1CCCC[C@H]1CO P19621 [1,0,0,1,0,0|1,0,1]=4 169 B9R1.15 OCC1=C(Br)CCCC1 AC8357 [1,0,0,1,0,0|1,0,1]=4 170 B9R1.89 CN[C@H]1CCCCNC1 M59314 [1,0,0,1,0,0|2,0,0]=4 171 B9R1.89 OC[C@H]1CCCCCN1 C12372 [1,0,0,1,0,0|1,0,0]=3 172 B9R1.89 OC[C@H]1CCCCNC1 P12855 [1,0,0,1,0,0|1,0,1]=4 173 B9R1.89 OC[C@H]1CNCCCO1 32212 [1,0,0,1,0,0|2,0,0]=4 174 B9R1.89 OC[C@H]1CNCCCO1 53535 [1,0,0,1,0,0|2,0,0]=4 175 B9R1.132 CN1CC[C@H](CO)C1=O N12775 [1,0,0,1,0,0|1,0,0]=3 176 B9R1.204 OCC1(CO)CCCC1 A50570 [1,0,0,1,0,0|0,0,2]=4 177 B9R1.41 NC(=O)[C@@H]1CCC[C@@H]1N D81146 [1,0,0,1,0,0|2,0,0]=4 178 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O C74853 [1,0,0,1,0,0|2,0,0]=4 179 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O C76009 [1,0,0,1,0,0|2,0,0]=4 180 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O F19718 [1,0,0,1,0,0|2,0,0]=4 181 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O AT13996 [1,0,0,1,0,0|2,0,0]=4 182 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O C10521 [1,0,0,1,0,0|2,0,0]=4 183 B9R1.41 O=C(O)C1CNCC1O 73173 [1,0,0,1,0,0|2,0,0]=4 184 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O 35596 [1,0,0,1,0,0|2,0,0]=4 185 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O 89327 [1,0,0,1,0,0|2,0,0]=4 186 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O P14663 [1,0,0,1,0,0|2,0,0]=4 187 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O P15465 [1,0,0,1,0,0|2,0,0]=4 188 B9R1.119 CCC1(C(=O)O)CCC1 72573 [1,0,0,1,0,0|2,0,0]=4 189 B9R1.119 O=C(O)C1(CO)CCC1 F31332 [1,0,0,1,0,0|1,0,0]=3 190 B11R1.20 CC(=O)NC1CCC(O)CC1 AC9234 [0,0,0,1,0,1|2,0,0]=4 191 B11R1.20 CC1CCC(CC(=O)O)CC1 74030 [0,0,0,1,0,1|2,0,0]=4 192 B11R1.177 O=C(O)[C@H]1CCCCC1(F)F W16640 [0,1,0,1,0,0|2,0,0]=4 193 B11R1.565 CN1CCC[C@H](C(=O)O)CC1 63140 [0,1,0,1,0,0|2,0,0]=4 194 B11R1.727 CC1(C)CCC(C(=O)O)CC1 W15975 [0,1,0,1,0,0|2,0,0]=4 195 B11R1.727 CC1(C)CN[C@H](C(=O)O)CO1 60616 [0,1,0,1,0,0|2,0,0]=4 196 B11R1.727 CC1(C)OCC(C(=O)[O-])CO1 O11838 [0,1,0,1,0,0|2,0,0]=4 197 B11R1.17 O=C1COCCN1CCCBr 56755 [0,1,0,1,0,0|2,0,0]=4 198 B11R1.22 COC(=O)C1CCC(C)NC1 81271 [0,1,0,1,0,0|1,0,0]=3 199 B11R1.22 COC(=O)C1CCC(N)CC1 AB9595 [0,1,0,1,0,0|2,0,0]=4 200 B11R1.22 COC(=O)[C@H]1CC[C@@H](C)NC1 A50883 [0,1,0,1,0,0|1,0,0]=3 201 B11R1.22 COC(=O)[C@H]1CC[C@@H](C)NC1 P17412 [0,1,0,1,0,0|1,0,0]=3 202 B11R1.22 COC(=O)[C@H]1CC[C@@H](N)CC1 SC5021 [0,1,0,1,0,0|2,0,0]=4 203 B11R1.22 COC(=O)[C@H]1CC[C@H](C)NC1 73036 [0,1,0,1,0,0|1,0,0]=3 204 B11R1.22 COC(=O)[C@H]1CC[C@H](C)NC1 P18942 [0,1,0,1,0,0|1,0,0]=3 205 B11R1.222 COC(=O)C1CCNCC1C P18679 [0,1,0,1,0,0|2,0,0]=4 206 B11R1.222 COC(=O)C1CNCCC1C 85191 [0,1,0,1,0,0|2,0,0]=4 207 B11R1.222 COC(=O)[C@@H]1COCC[C@@H]1N P18320 [0,1,0,1,0,0|2,0,0]=4 208 B11R1.222 COC(=O)[C@H]1CCCC[C@@H]1N AB11610 [0,1,0,1,0,0|1,0,0]=3 209 B11R1.222 COC(=O)[C@H]1CCCC[C@@H]1N P16222 [0,1,0,1,0,0|1,0,0]=3 210 B11R1.222 COC(=O)[C@H]1CCNC[C@H]1C 60938 [0,1,0,1,0,0|2,0,0]=4 211 B11R1.222 COC(=O)[C@H]1CNCC[C@H]1C P16722 [0,1,0,1,0,0|2,0,0]=4 212 B11R1.852 COC(=O)C1CCCCCC1 70466 [0,1,0,1,0,0|1,0,0]=3 213 B11R1.852 COC(=O)[C@H]1CCCNCC1 P12663 [0,1,0,1,0,0|2,0,0]=4 214 B11R1.1472 COC(=O)C1(CN)CCCC1 33478 [0,1,0,1,0,0|1,0,0]=3 215 B11R1.3 CC(=O)N1CCC(CBr)CC1 72177 [0,1,0,1,0,0|2,0,0]=4 216 B11R1.3 CN[C@H]1CC[C@@H](C(=O)O)CC1 W15261 [0,1,0,1,0,0|2,0,0]=4 217 B11R1.3 CO[C@H]1CC[C@@H](C(=O)O)CC1 P15709 [0,1,0,1,0,0|2,0,0]=4 218 B11R1.3 CO[C@H]1CC[C@H](C(=O)O)CC1 P12782 [0,1,0,1,0,0|2,0,0]=4 219 B11R1.3 NCC1CCC(C(=O)O)CC1 T71247 [0,1,0,1,0,0|2,0,0]=4 220 B11R1.3 NC[C@H]1CC[C@@H](C(=O)O)CC1 P20836 [0,1,0,1,0,0|2,0,0]=4 221 B11R1.3 O=C(O)C1CCC(CO)CC1 D86447 [0,1,0,1,0,0|2,0,0]=4 222 B11R1.3 O=C(O)[C@H]1CC[C@@H](CO)CC1 T72885 [0,1,0,1,0,0|2,0,0]=4 223 B11R1.298 CCN(C(C)=O)[C@H]1CCNC1 T70105 [0,1,0,1,0,0|2,0,0]=4 224 B11R1.298 NC[C@H](C(=O)O)C1CCCC1 51130 [0,1,0,1,0,0|2,0,0]=4 225 B11R1.991 COCCCC1(C(=O)O)CC1 AC4337 [0,1,0,1,0,0|2,0,0]=4 226 B11R1.1074 NCC1(C(=O)O)CCOCC1 51616 [0,1,0,1,0,0|2,0,0]=4 227 B11R1.1074 O=C(O)C1(CO)CCOCC1 A10605 [0,1,0,1,0,0|1,0,0]=3 228 B11R1.737 NC1(C(=O)O)CCCCCC1 29636 [0,1,0,1,0,0|2,0,0]=4 229 B11R2.1 O=C1OCC2CCCCC12 D93790 [0,0,0,2,0,0|2,0,0]=4 230 B11R2.845 O=C(O)[C@@H]1C[C@H]2CC[C@@H]1O2 W14576 [0,0,0,2,0,0|1,0,0]=3 231 B11R2.845 O=C([O-])[C@H]1C[C@@H]2CC[C@H]1C2 12454 [0,0,0,2,0,0|2,0,0]=4 232 B9R0.4 CCCC[C@H](C)OC(=O)Cl S11041 [1,0,0,0,0,1|1,0,0]=3 233 B9R0.14 CCC[C@H](CC)OC(=O)Cl S11051 [1,0,0,0,0,1|2,0,0]=4