0 B8R0.8 C#CCC[C@H](N)C(=O)O HY-140345 [0,0,0,0,0,0|2,0,2]=4 1 B8R0.8 C=C(C)C(=O)OCCO HY-W012723 [0,0,0,0,0,0|4,0,0]=4 2 B8R0.8 CCCCC(C)C(=O)O HY-128371 [0,0,0,0,0,0|2,0,1]=3 3 B8R0.8 CCCCC(N)C(=O)O HY-W012709 [0,0,0,0,0,0|2,0,1]=3 4 B8R0.8 CCCCC(O)C(=O)O HY-75954 [0,0,0,0,0,0|1,0,2]=3 5 B8R0.8 CCCC[C@@H](N)C(=O)O HY-41912A [0,0,0,0,0,0|2,0,1]=3 6 B8R0.8 CCCC[C@H](N)C(=O)O HY-Y0017 [0,0,0,0,0,0|2,0,1]=3 7 B8R0.8 CSCCC(N)C(=O)O HY-N0325 [0,0,0,0,0,0|3,0,1]=4 8 B8R0.8 CSCCC(O)C(=O)O HY-116688 [0,0,0,0,0,0|2,0,2]=4 9 B8R0.8 CSCC[C@@H](N)C(=O)O HY-13694 [0,0,0,0,0,0|3,0,1]=4 10 B8R0.8 CSCC[C@H](N)C(=O)O HY-N0326 [0,0,0,0,0,0|3,0,1]=4 11 B8R0.8 CSCC[C@H](N)C(=O)O HY-N0326R [0,0,0,0,0,0|3,0,1]=4 12 B8R0.8 CSCC[C@H](N)[13C](=O)O HY-N0326S4 [0,0,0,0,0,0|3,0,1]=4 13 B8R0.8 CSCC[C@H]([15NH2])C(=O)O HY-N0326S [0,0,0,0,0,0|3,0,1]=4 14 B8R0.8 C[Se]CCC(N)C(=O)O HY-B1000 [0,0,0,0,0,0|3,0,1]=4 15 B8R0.8 C[Se]CCC(N)C(=O)O HY-B1000R [0,0,0,0,0,0|3,0,1]=4 16 B8R0.8 C[Se]CC[C@H](N)C(=O)O HY-B1000A [0,0,0,0,0,0|3,0,1]=4 17 B8R0.8 NCCCC(N)C(=O)O HY-B1713A [0,0,0,0,0,0|1,0,1]=2 18 B8R0.8 NCCC[C@@H](N)C(=O)O HY-34516 [0,0,0,0,0,0|1,0,1]=2 19 B8R0.8 NCCC[C@H](N)C(=O)O HY-A0282 [0,0,0,0,0,0|1,0,1]=2 20 B8R0.8 NCCC[C@H](N)C(=O)O HY-B1352 [0,0,0,0,0,0|1,0,1]=2 21 B8R0.8 [C@H](N)(CCCN)C(=O)O HY-W017018 [0,0,0,0,0,0|1,0,1]=2 22 B8R0.8 [C@H](N)(CCCN)C(=O)O HY-W017018B [0,0,0,0,0,0|1,0,1]=2 23 B8R0.8 [C@H](N)(CCCN)C(=O)O HY-W017018R [0,0,0,0,0,0|1,0,1]=2 24 B7R0.3 CCCCC(=O)NN HY-W012890 [1,0,0,0,0,0|3,0,0]=4 25 B7R0.3 COC(=O)CCCBr HY-W004701 [1,0,0,0,0,0|3,0,0]=4 26 B7R0.3 COC(=O)CCCN HY-79594 [1,0,0,0,0,0|2,0,0]=3 27 B7R0.4 C#CCCCC(=O)O HY-Y0925 [1,0,0,0,0,0|1,0,2]=4 28 B7R0.4 CCC\C=C\C(=O)O HY-W010531 [1,0,0,0,0,0|1,0,1]=3 29 B7R0.4 NCCCCC(=O)O HY-W015878 [1,0,0,0,0,0|0,0,1]=2 30 B7R0.4 NCCOCC(=O)O HY-140643 [1,0,0,0,0,0|1,0,1]=3 31 B7R0.4 NCCOCC(=O)O HY-140644 [1,0,0,0,0,0|1,0,1]=3 32 B7R0.4 O=C(Cl)CCCCBr HY-43538 [1,0,0,0,0,0|2,0,1]=4 33 B7R0.4 O=C(O)CCCCBr HY-W016456 [1,0,0,0,0,0|1,0,1]=3 34 B7R0.4 O=C(O)COCCBr HY-130163 [1,0,0,0,0,0|2,0,1]=4 35 B7R0.4 O=C(O)COCCS HY-140730 [1,0,0,0,0,0|2,0,1]=4 36 B7R0.5 CCCC(=O)C(=O)O HY-113098 [1,0,0,0,0,0|0,0,0]=1 37 B7R0.5 CCCC(C)C(=O)O HY-W010516 [1,0,0,0,0,0|1,0,1]=3 38 B7R0.5 CCCC(N)C(=O)O HY-W010510 [1,0,0,0,0,0|1,0,1]=3 39 B7R0.5 CCC[C@@H](N)C(=O)O HY-41309 [1,0,0,0,0,0|1,0,1]=3 40 B7R0.5 CCC[C@H](N)C(=O)O HY-Y0399 [1,0,0,0,0,0|1,0,1]=3 41 B7R0.5 CCOC(=O)C(C)=O HY-Y1362 [1,0,0,0,0,0|2,0,0]=3 42 B7R0.5 CCOC(=O)C(N)=S HY-78216 [1,0,0,0,0,0|2,1,0]=4 43 B7R0.5 CC\C=C(/C)C(=O)O HY-W010533 [1,0,0,0,0,0|1,0,1]=3 44 B7R0.5 CNC[C@H](N)C(=O)O HY-W015546 [1,0,0,0,0,0|2,0,1]=4 45 B7R0.5 CSC[C@H](N)C(=O)O HY-B2188 [1,0,0,0,0,0|2,0,1]=4 46 B7R0.5 C[Se]C[C@H](N)C(=O)O HY-114245 [1,0,0,0,0,0|2,0,1]=4 47 B7R0.5 NC(CCO)C(=O)O HY-W012870 [1,0,0,0,0,0|2,0,1]=4 48 B7R0.5 NC(CCS)C(=O)O HY-W040821 [1,0,0,0,0,0|2,0,1]=4 49 B7R0.5 NCC[C@H](N)C(=O)O HY-101414 [1,0,0,0,0,0|1,0,1]=3 50 B7R0.5 NCC[C@H](N)C(=O)O HY-101414A [1,0,0,0,0,0|1,0,1]=3 51 B7R0.5 N[C@@H](CCO)C(=O)O HY-W002292 [1,0,0,0,0,0|2,0,1]=4 52 B7R0.5 N[C@@H](CCO)C(=O)O HY-W002292R [1,0,0,0,0,0|2,0,1]=4 53 B7R0.5 N[C@@H](CCS)C(=O)O HY-W010347 [1,0,0,0,0,0|2,0,1]=4 54 B7R0.5 N[C@@H](CCS)C(=O)O HY-W010347R [1,0,0,0,0,0|2,0,1]=4 55 B7R0.5 N[C@H](CCO)C(=O)O HY-W010499 [1,0,0,0,0,0|2,0,1]=4 56 B7R0.5 [C@H](N)(CCN)C(=O)O HY-W010018 [1,0,0,0,0,0|1,0,1]=3 57 B9R0.7 NC(=O)CCC(N)C(=O)O HY-B1346 [0,1,0,0,0,0|1,0,2]=4 58 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O HY-100587 [0,1,0,0,0,0|1,0,2]=4 59 B9R0.7 NC(=O)CC[C@H](N)C(=O)O HY-N0390 [0,1,0,0,0,0|1,0,2]=4 60 B9R0.7 NC(=O)CC[C@H](N)C(=O)O HY-N0390R [0,1,0,0,0,0|1,0,2]=4 61 B9R0.7 NC(=O)CC[C@H]([15NH2])C(=O)O HY-N0390S [0,1,0,0,0,0|1,0,2]=4 62 B9R0.7 O=C(O)CCC(=O)C(=O)O HY-W013636 [0,1,0,0,0,0|1,0,1]=3 63 B9R0.7 O=C(O)CCC(=O)C(=O)O HY-W013636C [0,1,0,0,0,0|1,0,1]=3 64 B9R0.7 O=C(O)CCC(=O)C(=O)O HY-W013636R [0,1,0,0,0,0|1,0,1]=3 65 B9R0.7 O=C(O)CNC(=O)C(=O)O HY-12315 [0,1,0,0,0,0|2,0,1]=4 66 B9R0.7 O=C([O-])CCC(=O)C(=O)[O-] HY-W013636B [0,1,0,0,0,0|1,0,2]=4 67 B9R0.7 O=[13C](O)[13CH2][13CH2][13C](=O)[13C](=O)O HY-W013636S [0,1,0,0,0,0|1,0,1]=3 68 B9R0.47 CNCCC[C@H](N)C(C)=O HY-126436C [0,1,0,0,0,0|2,0,1]=4 69 B9R0.47 NCCCCC(N)C(=O)O HY-B2236 [0,1,0,0,0,0|1,0,1]=3 70 B9R0.47 NCCCCC(N)C(=O)O HY-W027251 [0,1,0,0,0,0|1,0,1]=3 71 B9R0.47 NCCCC[C@@H](N)C(=O)O HY-Y1091 [0,1,0,0,0,0|1,0,1]=3 72 B9R0.47 NCCCC[C@H](N)C(=O)O HY-N0469 [0,1,0,0,0,0|1,0,1]=3 73 B9R0.47 NCCCC[C@H](N)C(=O)O HY-N0470 [0,1,0,0,0,0|1,0,1]=3 74 B9R0.47 NCCCC[C@H](N)C(=O)O HY-W009762 [0,1,0,0,0,0|1,0,1]=3 75 B9R0.47 NCCCC[C@H](N)C(=O)O HY-W015370 [0,1,0,0,0,0|1,0,1]=3 76 B9R0.47 NCCSC[C@H](N)C(=O)O HY-122526 [0,1,0,0,0,0|1,0,1]=3 77 B9R0.47 N[13CH2][13CH2][13CH2][13CH2][13C@H](N)[13C](=O)O HY-N0469S1 [0,1,0,0,0,0|1,0,1]=3 78 B9R1.6 O=C(O)C1=CCCNC1 HY-100809 [0,0,0,1,0,0|1,0,1]=3 79 B9R1.6 O=C(O)C1=CCCNC1 HY-N2482A [0,0,0,1,0,0|1,0,1]=3 80 B9R1.6 O=C(O)C1=CCNCC1 HY-100810 [0,0,0,1,0,0|3,0,0]=4 81 B9R1.6 O=C(O)C1CCCCC1 HY-Y1373 [0,0,0,1,0,0|2,0,1]=4 82 B9R1.6 O=C(O)C1CCCCN1 HY-Y0669R [0,0,0,1,0,0|2,0,1]=4 83 B9R1.6 O=C(O)C1CCCNC1 HY-69359 [0,0,0,1,0,0|1,0,1]=3 84 B9R1.6 O=C(O)[C@H]1CCCCN1 HY-Y0181 [0,0,0,1,0,0|2,0,1]=4 85 B9R1.6 [C@@H]1(C(=O)O)CCCCN1 HY-W012734 [0,0,0,1,0,0|2,0,1]=4 86 B9R1.6 [C@H]1(C(=O)O)CCCNC1 HY-W012735 [0,0,0,1,0,0|1,0,1]=3 87 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 HY-W061761 [0,0,0,1,0,0|1,0,1]=3 88 B9R1.110 NC(C(=O)O)C1CCC1 HY-20834 [0,0,0,1,0,0|2,0,1]=4 89 B9R1.112 [C@H](N)(CC1CC1)C(=O)O HY-W008028 [0,0,0,1,0,0|2,0,1]=4 90 B9R1.163 NC1(C(=O)O)CCCC1 HY-30008 [0,0,0,1,0,0|2,0,1]=4 91 B9R1.163 [2H]C1(C(=O)O)CCCN1 HY-W012908S1 [0,0,0,1,0,0|1,0,1]=3 92 B6R0.1 CCCC(=O)O[Na] HY-B0350A [2,0,0,0,0,0|2,0,0]=4 93 B6R0.1 COC(=O)CCN HY-W007648 [2,0,0,0,0,0|2,0,0]=4 94 B6R0.4 C=CCCC(=O)O HY-Y0624 [2,0,0,0,0,0|1,0,1]=4 95 B6R0.4 CCCCC(N)=O HY-W144037 [2,0,0,0,0,0|1,0,1]=4 96 B6R0.4 CCNCC(=O)O HY-W141879 [2,0,0,0,0,0|1,0,1]=4 97 B6R0.4 CCOCC(=O)O HY-W027555 [2,0,0,0,0,0|1,0,1]=4 98 B6R0.4 CC\C=C\C(=O)O HY-W061674 [2,0,0,0,0,0|0,0,1]=3 99 B6R0.4 CSCCC(=O)O HY-101401 [2,0,0,0,0,0|1,0,1]=4 100 B6R0.4 NCCCC(=O)O HY-N0067 [2,0,0,0,0,0|0,0,0]=2 101 B6R0.4 NCCCC(=O)O HY-N0067R [2,0,0,0,0,0|0,0,0]=2 102 B6R0.4 NC\C=C\C(=O)O HY-100800 [2,0,0,0,0,0|0,0,1]=3 103 B6R0.6 CCC\C=C\C=O HY-128429 [2,0,0,0,0,0|1,0,1]=4 104 B6R0.6 NCCCCCO HY-W012971 [2,0,0,0,0,0|0,0,2]=4 105 B6R0.3 CC(CN)C(=O)O HY-W012974 [2,0,0,0,0,0|1,0,1]=4 106 B6R0.3 CC(CN)C(=O)O HY-W012974R [2,0,0,0,0,0|1,0,1]=4 107 B6R0.3 CCC(=O)C(=O)O HY-W007926 [2,0,0,0,0,0|0,0,0]=2 108 B6R0.3 CCC(=O)C(=O)O HY-W007926R [2,0,0,0,0,0|0,0,0]=2 109 B6R0.3 CCC(=O)C(C)=O HY-W012998 [2,0,0,0,0,0|1,0,0]=3 110 B6R0.3 CCC(N)C(=O)O HY-W010590 [2,0,0,0,0,0|1,0,1]=4 111 B6R0.3 CCC(O)C(=O)O HY-113381 [2,0,0,0,0,0|0,0,2]=4 112 B6R0.3 CC[C@@H](N)C(=O)O HY-Y0127 [2,0,0,0,0,0|1,0,1]=4 113 B6R0.3 CC[C@H](O)C(=O)O HY-W018499 [2,0,0,0,0,0|0,0,2]=4 114 B6R0.3 C[C@@H](CN)C(=O)O HY-113380 [2,0,0,0,0,0|1,0,1]=4 115 B6R0.3 C[C@@H](CN)C(=O)O HY-W023323 [2,0,0,0,0,0|1,0,1]=4 116 B6R0.3 C\C=C(/C)C(=O)O HY-W012999 [2,0,0,0,0,0|1,0,1]=4 117 B6R0.3 NCC(N)C(=O)O HY-W013674 [2,0,0,0,0,0|1,0,1]=4 118 B6R0.3 NC[C@@H](N)C(=O)O HY-W010312 [2,0,0,0,0,0|1,0,1]=4 119 B6R0.3 NC[C@H](N)C(=O)O HY-W013673 [2,0,0,0,0,0|1,0,1]=4 120 B6R0.3 O=C(O)C(=O)CBr HY-19992 [2,0,0,0,0,0|1,0,0]=3 121 B6R0.3 O=C(O)C(=O)O[K] HY-W115775 [2,0,0,0,0,0|2,0,0]=4 122 B6R0.3 [C@H](N)(CC)C(=O)O HY-W010589 [2,0,0,0,0,0|1,0,1]=4 123 B6R0.3 [C@H](O)(CN)C(=O)O HY-W012967 [2,0,0,0,0,0|0,0,2]=4 124 B8R0.1 CCOC(=O)CCCN HY-W010078 [1,1,0,0,0,0|1,0,1]=4 125 B8R0.5 CCCC(O)CC(=O)O HY-113836 [1,1,0,0,0,0|1,0,1]=4 126 B8R0.7 CC(=O)NCCCCN HY-113100 [1,1,0,0,0,0|1,0,1]=4 127 B8R0.7 CC(=O)NCCCCN HY-W342604 [1,1,0,0,0,0|1,0,1]=4 128 B8R0.7 NCCOCCC(=O)O HY-140002 [1,1,0,0,0,0|0,0,1]=3 129 B8R0.7 O=C(O)CCOCCO HY-116655 [1,1,0,0,0,0|1,0,1]=4 130 B8R0.2 CCC(C)C(=O)C(=O)O HY-113063 [1,1,0,0,0,0|0,0,0]=2 131 B8R0.2 CCC(C)C(=O)C(=O)O HY-113063R [1,1,0,0,0,0|0,0,0]=2 132 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O HY-78912 [1,1,0,0,0,0|1,0,1]=4 133 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O HY-N0771 [1,1,0,0,0,0|1,0,1]=4 134 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O HY-W012706 [1,1,0,0,0,0|1,0,1]=4 135 B8R0.2 CC[C@H](C)[C@H]([15NH2])C(=O)O HY-N0771S2 [1,1,0,0,0,0|1,0,1]=4 136 B8R0.23 CC(C)CC(=O)C(=O)O HY-W012722 [1,1,0,0,0,0|0,0,0]=2 137 B8R0.23 CC(C)CC(=O)C(=O)O HY-W012722R [1,1,0,0,0,0|0,0,0]=2 138 B8R0.23 CC(C)CC(N)C(=O)O HY-B1674 [1,1,0,0,0,0|1,0,1]=4 139 B8R0.23 CC(C)CC(O)C(=O)O HY-30216A [1,1,0,0,0,0|0,0,2]=4 140 B8R0.23 CC(C)CC(O)C(=O)O HY-30216AR [1,1,0,0,0,0|0,0,2]=4 141 B8R0.23 CC(C)C[C@@H](N)C(=O)O HY-Y0378 [1,1,0,0,0,0|1,0,1]=4 142 B8R0.23 CC(C)C[C@H](N)C(=O)O HY-N0486 [1,1,0,0,0,0|1,0,1]=4 143 B8R0.23 CC(C)C[C@H](N)C(=O)O HY-N0486R [1,1,0,0,0,0|1,0,1]=4 144 B8R0.23 CC(C)C[C@H](N)[13C](=O)O HY-N0486S1 [1,1,0,0,0,0|1,0,1]=4 145 B8R0.23 CC(C)C[C@H](O)C(=O)O HY-30215 [1,1,0,0,0,0|0,0,2]=4 146 B8R0.23 CC(C)C[C@H](O)C(=O)O HY-30215R [1,1,0,0,0,0|0,0,2]=4 147 B8R0.23 CC(C)C[C@H]([15NH2])[13C](=O)O HY-N0486S7 [1,1,0,0,0,0|1,0,1]=4 148 B8R0.23 O=C(O)CC(=O)C(=O)O HY-W010382 [1,1,0,0,0,0|1,0,1]=4 149 B8R0.23 O=C(O)CC(=O)C(=O)O HY-W010382R [1,1,0,0,0,0|1,0,1]=4 150 B10R0.18 CCCCC(=O)CC(=O)OC HY-W099750 [0,1,0,0,0,1|1,0,0]=3 151 B10R0.18 CCOCC(=O)CC(=O)OC HY-Z0785 [0,1,0,0,0,1|2,0,0]=4 152 B10R0.57 O=C(O)CCC(=O)C(=O)O[Na] HY-W013636A [0,2,0,0,0,0|1,0,1]=4 153 B10R0.82 NCC(O)CCC(N)C(=O)O HY-W014930 [0,2,0,0,0,0|1,0,1]=4 154 B10R0.82 NCC(O)CCC(N)C(=O)O HY-W014930R [0,2,0,0,0,0|1,0,1]=4 155 B10R0.83 [C@H](N)(CCCCN)C(=O)OC HY-W009631 [0,2,0,0,0,0|1,0,1]=4 156 B10R0.98 O=C(O)CCCC(=O)C(=O)O HY-113227 [0,2,0,0,0,0|1,0,0]=3 157 B8R1.5 NC1CCCNC1=O HY-21088 [1,0,0,1,0,0|1,0,1]=4 158 B8R1.5 N[C@H]1CCCNC1=O HY-W003592A [1,0,0,1,0,0|1,0,1]=4 159 B8R1.5 O=C1CCCCC1=O HY-W007347 [1,0,0,1,0,0|1,0,0]=3 160 B8R1.22 O=C1CCCNCC1 HY-W001845 [1,0,0,1,0,0|1,0,1]=4 161 B8R1.50 N[C@@H]1CCN(O)C1=O HY-100822 [1,0,0,1,0,0|1,0,1]=4 162 B8R1.7 NC(=O)[C@@H]1CCCN1 HY-20582 [1,0,0,1,0,0|1,0,1]=4 163 B8R1.7 NC(=O)[C@@H]1CCCN1 HY-W017413 [1,0,0,1,0,0|1,0,1]=4 164 B8R1.7 NC(=O)[C@H]1CCCN1 HY-W012921 [1,0,0,1,0,0|1,0,1]=4 165 B8R1.7 O=C(O)C1=CCCC1 HY-W005540 [1,0,0,1,0,0|1,0,0]=3 166 B8R1.7 O=C(O)C1CCCN1 HY-W012908 [1,0,0,1,0,0|0,0,1]=3 167 B8R1.7 O=C(O)C1CSCN1 HY-B1169 [1,0,0,1,0,0|1,0,1]=4 168 B8R1.7 O=C(O)[C@@H]1CCCN1 HY-WAA0253 [1,0,0,1,0,0|0,0,1]=3 169 B8R1.7 O=C(O)[C@@H]1CCCN1 HY-Y0252 [1,0,0,1,0,0|0,0,1]=3 170 B8R1.7 O=C(O)[C@@H]1CCCN1 HY-Y0252R [1,0,0,1,0,0|0,0,1]=3 171 B8R1.7 O=C(O)[C@@H]1CSCN1 HY-W012676 [1,0,0,1,0,0|1,0,1]=4 172 B8R1.7 O=C(O)[C@H]1CCCN1 HY-75087 [1,0,0,1,0,0|0,0,1]=3 173 B8R1.7 O=C(O)[C@H]1CCCO1 HY-W005223 [1,0,0,1,0,0|1,0,1]=4 174 B8R1.78 NC1(C(=O)O)CCC1 HY-30006 [1,0,0,1,0,0|1,0,1]=4 175 B10R1.113 CN1CCC=C(C(=O)O)C1 HY-N2368 [0,1,0,1,0,0|1,0,1]=4