0 B9R0.55 CC(=O)NCCCC(=O)O HY-101411 [0,0,0,0,0,0|2,0,0]=2 1 B9R0.55 CC(C)CCCCC(=O)O HY-W101588 [0,0,0,0,0,0|2,0,1]=3 2 B9R0.55 N=C(N)NCCCC(=O)O HY-113286 [0,0,0,0,0,0|3,0,0]=3 3 B9R0.55 O=C(O)CCCCC(=O)O HY-B2186 [0,0,0,0,0,0|0,0,0]=0 4 B9R0.55 O=C(O)CCCCC(=O)O HY-W017522 [0,0,0,0,0,0|0,0,0]=0 5 B9R0.55 O=C(O)CCCCC(=O)O HY-W017522R [0,0,0,0,0,0|0,0,0]=0 6 B9R0.55 O=C(O)CCCC[13C](=O)O HY-W017522S3 [0,0,0,0,0,0|0,0,0]=0 7 B9R0.55 O=C(O)C\C=C\CC(=O)O HY-128426 [0,0,0,0,0,0|0,0,2]=2 8 B9R0.55 O=C(O)\C=C/C=C\C(=O)O HY-W000800 [0,0,0,0,0,0|0,0,4]=4 9 B9R0.55 O=C(O)\C=C\C=C\C(=O)O HY-113247 [0,0,0,0,0,0|0,0,4]=4 10 B8R0.7 C#CCOCCC(=O)O HY-130504 [1,0,0,0,0,0|2,0,1]=4 11 B8R0.7 CCCCCCC(C)=O HY-W010409 [1,0,0,0,0,0|2,0,1]=4 12 B8R0.7 COCCOCC(=O)O HY-W1048558A [1,0,0,0,0,0|3,0,0]=4 13 B8R0.7 NCCOCCC(=O)O HY-140002 [1,0,0,0,0,0|2,0,1]=4 14 B8R0.7 O=C(O)CCOCCO HY-116655 [1,0,0,0,0,0|1,0,1]=3 15 B8R0.7 [N-]=[N+]=NCCCC(=O)O HY-W588704 [1,0,0,0,0,0|3,0,0]=4 16 B10R0.15 NC(=O)CNCCS(=O)(=O)O HY-D0866 [0,1,0,0,0,0|3,0,0]=4 17 B10R0.96 CC(=O)CC(=O)CCC(=O)O HY-W010184 [0,1,0,0,0,0|1,0,1]=3 18 B10R0.96 CC(CCC(=O)O)CC(=O)O HY-113277 [0,1,0,0,0,0|0,0,0]=1 19 B10R0.98 NC(CCCC(=O)O)C(=O)O HY-113328 [0,1,0,0,0,0|0,0,0]=1 20 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O HY-D0205A [0,1,0,0,0,0|1,0,0]=2 21 B10R0.98 O=C(O)CCCC(=O)C(=O)O HY-113227 [0,1,0,0,0,0|0,0,1]=2 22 B10R0.98 [C@H](N)(CCCC(=O)O)C(=O)O HY-W013665 [0,1,0,0,0,0|0,0,0]=1 23 B10R0.98 [C@H](N)(CCCC(=O)O)C(=O)O HY-W013665R [0,1,0,0,0,0|0,0,0]=1 24 B10R1.113 CC1=NCC[C@@H](C(=O)O)N1 HY-107784 [0,0,0,1,0,0|3,0,0]=4 25 B10R1.113 CC1=NCC[C@@H](C(=O)O)N1 HY-107784R [0,0,0,1,0,0|3,0,0]=4 26 B10R1.113 O=C1CCC[C@@H](C(=O)O)N1 HY-W017542 [0,0,0,1,0,0|1,0,0]=2 27 B10R1.113 O=C1CCC[C@H](C(=O)O)N1 HY-W048995 [0,0,0,1,0,0|1,0,0]=2 28 B10R1.128 C[N+]1(C)CCC[C@H]1C(=O)O HY-N0738 [0,0,0,1,0,0|3,0,0]=4 29 B8R0.28 CC(=O)CCCC(=O)O HY-W001957 [0,0,0,0,1,0|1,0,0]=2 30 B8R0.28 CC(=O)NCCC(=O)O HY-66007 [0,0,0,0,1,0|2,0,0]=3 31 B8R0.28 N=C(N)NCCC(=O)O HY-W015828 [0,0,0,0,1,0|3,0,0]=4 32 B8R0.28 NC(=O)NCCC(=O)O HY-113285 [0,0,0,0,1,0|2,0,0]=3 33 B8R0.28 O=C(O)CCCC(=O)O HY-W008820 [0,0,0,0,1,0|0,0,0]=1 34 B8R0.28 O=C(O)CCCC(=O)O HY-W008820R [0,0,0,0,1,0|0,0,0]=1 35 B8R0.28 O=C(O)CNCC(=O)O HY-W012683 [0,0,0,0,1,0|1,0,0]=2 36 B8R0.28 O=C(O)\C=C\CC(=O)O HY-W073501 [0,0,0,0,1,0|0,0,2]=3 37 B8R0.28 O=C(O)\C=C\CC(=O)O HY-W073501A [0,0,0,0,1,0|0,0,2]=3 38 B10R0.97 O=C(O)CCCCCC(=O)O HY-Y1139 [0,0,0,0,0,1|0,0,0]=1 39 B10R0.97 O=C(O)CCNCCC(=O)O HY-W091636 [0,0,0,0,0,1|0,0,0]=1 40 B10R0.97 O=C(O)CCOCCC(=O)O HY-23166 [0,0,0,0,0,1|0,0,0]=1 41 B7R0.1 OCCCCCCO HY-W010505 [2,0,0,0,0,0|0,0,2]=4 42 B7R0.4 C#CCCCC(=O)O HY-Y0925 [2,0,0,0,0,0|0,0,2]=4 43 B7R0.4 NCCCCC(=O)O HY-W015878 [2,0,0,0,0,0|1,0,0]=3 44 B7R0.4 NCCOCC(=O)O HY-140643 [2,0,0,0,0,0|2,0,0]=4 45 B7R0.4 NCCOCC(=O)O HY-140644 [2,0,0,0,0,0|2,0,0]=4 46 B7R0.4 O=C(Cl)CCCCBr HY-43538 [2,0,0,0,0,0|2,0,0]=4 47 B7R0.4 O=C(O)CCCCBr HY-W016456 [2,0,0,0,0,0|1,0,0]=3 48 B7R0.4 O=C(O)COCCBr HY-130163 [2,0,0,0,0,0|2,0,0]=4 49 B7R0.4 O=C(O)COCCS HY-140730 [2,0,0,0,0,0|1,1,0]=4 50 B9R0.1 CN(CCCC(=O)O)N=O HY-W679891 [1,1,0,0,0,0|2,0,0]=4 51 B9R0.2 C#CCCCCCC(=O)O HY-69220 [1,1,0,0,0,0|1,0,1]=4 52 B9R0.2 CCCCCCCC(=O)O HY-41417 [1,1,0,0,0,0|1,0,1]=4 53 B9R0.2 CCCCCCCC(=O)O HY-41417R [1,1,0,0,0,0|1,0,1]=4 54 B9R0.2 COCCOCCC(=O)O HY-130231 [1,1,0,0,0,0|1,0,1]=4 55 B9R0.2 COCCOCCC(=O)O HY-133324 [1,1,0,0,0,0|1,0,1]=4 56 B9R0.2 O=C(O)CCCCCCBr HY-W007714 [1,1,0,0,0,0|1,0,1]=4 57 B9R0.2 [N-]=[N+]=NCCCCC(=O)O HY-130544 [1,1,0,0,0,0|2,0,0]=4 58 B9R0.46 CCCCCCC(=O)OC HY-141610 [1,1,0,0,0,0|1,0,1]=4 59 B9R0.46 CCCCCCC(=O)O[Na] HY-42935A [1,1,0,0,0,0|1,0,1]=4 60 B9R0.47 C=CCSC[C@@H](N)C(=O)O HY-W048286 [1,1,0,0,0,0|2,0,0]=4 61 B9R0.47 C=CCSC[C@H](N)C(=O)O HY-W013573 [1,1,0,0,0,0|2,0,0]=4 62 B9R0.47 NCCCCC(N)C(=O)O HY-B2236 [1,1,0,0,0,0|1,0,1]=4 63 B9R0.47 NCCCCC(N)C(=O)O HY-W027251 [1,1,0,0,0,0|1,0,1]=4 64 B9R0.47 NCCCC[C@@H](N)C(=O)O HY-Y1091 [1,1,0,0,0,0|1,0,1]=4 65 B9R0.47 NCCCC[C@H](N)C(=O)O HY-N0469 [1,1,0,0,0,0|1,0,1]=4 66 B9R0.47 NCCCC[C@H](N)C(=O)O HY-N0470 [1,1,0,0,0,0|1,0,1]=4 67 B9R0.47 NCCCC[C@H](N)C(=O)O HY-W009762 [1,1,0,0,0,0|1,0,1]=4 68 B9R0.47 NCCCC[C@H](N)C(=O)O HY-W015370 [1,1,0,0,0,0|1,0,1]=4 69 B9R0.47 N[13CH2][13CH2][13CH2][13CH2][13C@H](N)[13C](=O)O HY-N0469S1 [1,1,0,0,0,0|1,0,1]=4 70 B9R0.7 CC(=O)OC[C@H](N)C(=O)O HY-101409 [0,1,0,0,1,0|2,0,0]=4 71 B9R0.7 CC(=O)OC[C@H](N)C(=O)O HY-101409A [0,1,0,0,1,0|2,0,0]=4 72 B9R0.7 CC(=O)OC[C@H](N)C(=O)O HY-101409R [0,1,0,0,1,0|2,0,0]=4 73 B9R0.7 CC(CCC(=O)O)C(=O)O HY-W017524 [0,1,0,0,1,0|0,0,0]=2 74 B9R0.7 CS(=O)CCC(N)C(=O)O HY-W010104A [0,1,0,0,1,0|2,0,0]=4 75 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O HY-129770 [0,1,0,0,1,0|2,0,0]=4 76 B9R0.7 C[C@H](NCC(=O)O)C(=O)O HY-W105634 [0,1,0,0,1,0|1,0,0]=3 77 B9R0.7 NC(=O)CCC(N)C(=O)O HY-B1346 [0,1,0,0,1,0|1,0,0]=3 78 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O HY-100587 [0,1,0,0,1,0|1,0,0]=3 79 B9R0.7 NC(=O)CC[C@H](N)C(=O)O HY-N0390 [0,1,0,0,1,0|1,0,0]=3 80 B9R0.7 NC(=O)CC[C@H](N)C(=O)O HY-N0390R [0,1,0,0,1,0|1,0,0]=3 81 B9R0.7 NC(=O)CC[C@H]([15NH2])C(=O)O HY-N0390S [0,1,0,0,1,0|1,0,0]=3 82 B9R0.7 NC(=O)NC[C@H](N)C(=O)O HY-121167 [0,1,0,0,1,0|2,0,0]=4 83 B9R0.7 NC(CCC(=O)O)C(=O)O HY-W010108 [0,1,0,0,1,0|0,0,0]=2 84 B9R0.7 NC(CCC(=O)O)C(=O)O HY-W041895 [0,1,0,0,1,0|0,0,0]=2 85 B9R0.7 N[13C@@H]([13CH2][13CH2][13C](=O)O)[13C](=O)O HY-14608S5 [0,1,0,0,1,0|0,0,0]=2 86 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O HY-112111 [0,1,0,0,1,0|0,0,0]=2 87 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O HY-14608 [0,1,0,0,1,0|0,0,0]=2 88 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O HY-14608R [0,1,0,0,1,0|0,0,0]=2 89 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O HY-W016319 [0,1,0,0,1,0|0,0,0]=2 90 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O HY-W419700 [0,1,0,0,1,0|0,0,0]=2 91 B9R0.7 N[C@@H](CCC(=O)O)[13C](=O)O HY-14608S1 [0,1,0,0,1,0|0,0,0]=2 92 B9R0.7 N[C@H](CCC(=O)O)C(=O)O HY-100805 [0,1,0,0,1,0|0,0,0]=2 93 B9R0.7 N[C@H](CCC(=O)O)C(=O)O HY-100805R [0,1,0,0,1,0|0,0,0]=2 94 B9R0.7 O=C(O)CCC(=O)C(=O)O HY-W013636 [0,1,0,0,1,0|0,0,1]=3 95 B9R0.7 O=C(O)CCC(=O)C(=O)O HY-W013636C [0,1,0,0,1,0|0,0,1]=3 96 B9R0.7 O=C(O)CCC(=O)C(=O)O HY-W013636R [0,1,0,0,1,0|0,0,1]=3 97 B9R0.7 O=C(O)CNC(=O)C(=O)O HY-12315 [0,1,0,0,1,0|1,0,1]=4 98 B9R0.7 O=[13C](O)[13CH2][13CH2][13C](=O)[13C](=O)O HY-W013636S [0,1,0,0,1,0|0,0,1]=3 99 B9R0.7 [15NH2][C@@H](CCC(=O)O)C(=O)O HY-14608S2 [0,1,0,0,1,0|0,0,0]=2 100 B9R0.53 CC(CC(=O)O)CC(=O)O HY-113410 [0,1,0,0,1,0|0,0,0]=2 101 B9R0.53 CN(CC(=O)O)CC(=O)O HY-W007872 [0,1,0,0,1,0|1,0,0]=3 102 B9R0.53 C\C(=C/C(=O)O)CC(=O)O HY-139427 [0,1,0,0,1,0|0,0,2]=4 103 B9R0.53 O=C(O)CC(=O)CC(=O)O HY-W007752 [0,1,0,0,1,0|0,0,1]=3 104 B9R0.56 O=C(O)CNCP(=O)(O)O HY-B0863 [0,1,0,0,1,0|2,0,0]=4 105 B9R0.56 O=C(O)CNCP(=O)(O)O HY-B0863R [0,1,0,0,1,0|2,0,0]=4 106 B11R0.29 CC(=N)NCCC[C@H](N)C(=O)O HY-100986 [0,1,0,0,0,1|2,0,0]=4 107 B11R0.29 N=C(N)NCCCC(N)C(=O)O HY-N0454 [0,1,0,0,0,1|2,0,0]=4 108 B11R0.29 N=C(N)NCCCC(N)C(=O)O HY-W014375 [0,1,0,0,0,1|2,0,0]=4 109 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)O HY-W016781 [0,1,0,0,0,1|2,0,0]=4 110 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O HY-N0455 [0,1,0,0,0,1|2,0,0]=4 111 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O HY-N0455A [0,1,0,0,0,1|2,0,0]=4 112 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O HY-N0455B [0,1,0,0,0,1|2,0,0]=4 113 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O HY-N0455R [0,1,0,0,0,1|2,0,0]=4 114 B11R0.29 N=C(N)NCCC[C@H](O)C(=O)O HY-113079 [0,1,0,0,0,1|2,0,0]=4 115 B11R0.29 N=C(O)NCCCC(N)C(=O)O HY-W016734 [0,1,0,0,0,1|1,0,0]=3 116 B11R0.29 N=[13C](N)NCCC[C@H](N)C(=O)O HY-N0455AS7 [0,1,0,0,0,1|2,0,0]=4 117 B11R0.29 NC(=O)NCCC[C@H](N)C(=O)O HY-N0391 [0,1,0,0,0,1|1,0,0]=3 118 B11R0.29 NC(=O)NCCC[C@H](N)C(=O)O HY-N0391A [0,1,0,0,0,1|1,0,0]=3 119 B11R0.29 NC(=O)NCCC[C@H](N)C(=O)O HY-N0391R [0,1,0,0,0,1|1,0,0]=3 120 B11R0.29 NC(CCCCC(=O)O)C(=O)O HY-W141876 [0,1,0,0,0,1|0,0,0]=2 121 B11R0.29 N[C@@H](CSCCB(O)O)C(=O)O HY-19548A [0,1,0,0,0,1|1,0,1]=4 122 B11R0.29 N[C@@H](CSCCC(=O)O)C(=O)O HY-W141774 [0,1,0,0,0,1|0,0,0]=2 123 B11R0.318 NC(CCCP(=O)(O)O)C(=O)O HY-100714 [0,2,0,0,0,0|1,0,0]=3 124 B11R0.318 N[C@H](CCCP(=O)(O)O)C(=O)O HY-100714A [0,2,0,0,0,0|1,0,0]=3 125 B11R0.106 COC(=O)CCCCC(=O)OC HY-W015301 [0,2,0,0,0,0|0,0,0]=2 126 B11R0.150 NC(=O)C(Br)CCC(Br)C(N)=O HY-101847 [0,2,0,0,0,0|2,0,0]=4 127 B9R1.6 O=C(O)C1CCCCC1 HY-Y1373 [1,0,0,1,0,0|1,0,1]=4 128 B9R1.6 O=C(O)C1CCCCN1 HY-Y0669R [1,0,0,1,0,0|1,0,1]=4 129 B9R1.6 O=C(O)C1CCCNC1 HY-69359 [1,0,0,1,0,0|2,0,0]=4 130 B9R1.6 O=C(O)[C@H]1CCCCN1 HY-Y0181 [1,0,0,1,0,0|1,0,1]=4 131 B9R1.6 [C@@H]1(C(=O)O)CCCCN1 HY-W012734 [1,0,0,1,0,0|1,0,1]=4 132 B9R1.6 [C@H]1(C(=O)O)CCCNC1 HY-W012735 [1,0,0,1,0,0|2,0,0]=4 133 B9R1.41 CN1CCC[C@H]1C(=O)O HY-21754 [1,0,0,1,0,0|2,0,0]=4 134 B9R1.48 O=C1CCCCC(=O)C1 HY-W002860 [1,0,0,1,0,0|1,0,0]=3 135 B9R1.35 O=C1CCC(C(=O)O)N1 HY-W012738 [0,0,0,1,1,0|1,0,0]=3 136 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 HY-76082 [0,0,0,1,1,0|1,0,0]=3 137 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 HY-76082R [0,0,0,1,1,0|1,0,0]=3 138 B9R1.35 O=C1CC[C@H](C(=O)O)N1 HY-W002304 [0,0,0,1,1,0|1,0,0]=3 139 B9R1.35 O=C1N[C@H](C(=O)O)CS1 HY-133105 [0,0,0,1,1,0|2,0,0]=4 140 B9R1.161 O=C(O)[C@H]1O[C@H]1C(=O)O HY-125791 [0,0,0,1,1,0|1,0,0]=3 141 B11R1.178 CC(=O)N1CCC[C@@H]1C(=O)O HY-W017258 [0,0,0,1,0,1|1,0,0]=3 142 B11R1.178 CC(=O)N1CSCC1C(=O)O HY-112107 [0,0,0,1,0,1|2,0,0]=4 143 B11R1.175 O=C(O)C1CSC(C(=O)O)N1 HY-W024241 [0,1,0,1,0,0|1,0,0]=3 144 B7R0.6 C(C(=O)O)=CC(=O)O HY-W015883 [0,0,0,0,2,0|0,0,2]=4 145 B7R0.6 CC(=O)CCC(=O)O HY-Y0839 [0,0,0,0,2,0|1,0,0]=3 146 B7R0.6 CC(=O)NCC(=O)O HY-Y0069 [0,0,0,0,2,0|2,0,0]=4 147 B7R0.6 O=C(O)C#CC(=O)O HY-W094710 [0,0,0,0,2,0|0,0,2]=4 148 B7R0.6 O=C(O)CCC(=O)O HY-N0420 [0,0,0,0,2,0|0,0,0]=2 149 B7R0.6 O=C(O)CCC(=O)O HY-N0420R [0,0,0,0,2,0|0,0,0]=2 150 B7R0.6 O=C(O)CC[N+](=O)[O-] HY-W012875 [0,0,0,0,2,0|1,0,1]=4 151 B7R0.6 O=C(O)\C=C/C(=O)O HY-Y0367 [0,0,0,0,2,0|0,0,2]=4 152 B7R0.6 O=C(O)\C=C\C(=O)O HY-107829 [0,0,0,0,2,0|0,0,2]=4 153 B7R0.6 O=C(O)\C=C\C(=O)O HY-W015883R [0,0,0,0,2,0|0,0,2]=4 154 B7R0.6 O=C([O-])CCC(=O)[O-] HY-W105775 [0,0,0,0,2,0|0,0,2]=4 155 B7R0.6 O=[13C](O)CC[13C](=O)O HY-N0420S3 [0,0,0,0,2,0|0,0,0]=2 156 B11R0.30 CC(=O)NCCCCCC(=O)O HY-B1259 [0,0,0,0,0,2|1,0,0]=3 157 B11R0.30 O=C(O)CCCCCCC(=O)O HY-W015300 [0,0,0,0,0,2|0,0,0]=2 158 B11R0.30 O=C(O)CCSSCCC(=O)O HY-W014395 [0,0,0,0,0,2|0,0,0]=2 159 B11R0.30 O=C(O)COCCOCC(=O)O HY-W004945 [0,0,0,0,0,2|0,0,0]=2