0 B7R0.6 CC(=O)CCC(=O)O HY-Y0839 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.6 CC(=O)NCC(=O)O HY-Y0069 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.6 CC(=O)NNC(C)=O HY-I0777 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.6 CC(C)CCC(=O)O HY-W015882 [0,0,0,0,0,0|2,0,0]=2 4 B7R0.6 CC(C)CCC(=O)O HY-W015882R [0,0,0,0,0,0|2,0,0]=2 5 B6R0.4 CC(C)CCCO HY-W007511 [1,0,0,0,0,0|1,0,2]=4 6 B6R0.4 CCCCC(N)=O HY-W144037 [1,0,0,0,0,0|2,0,0]=3 7 B6R0.4 CCNCC(=O)O HY-W141879 [1,0,0,0,0,0|3,0,0]=4 8 B6R0.4 CCOCC(=O)O HY-W027555 [1,0,0,0,0,0|3,0,0]=4 9 B6R0.4 CC\C=C\C(=O)O HY-W061674 [1,0,0,0,0,0|2,0,1]=4 10 B6R0.4 CSCCC(=O)O HY-101401 [1,0,0,0,0,0|3,0,0]=4 11 B6R0.4 NCCCC(=O)O HY-N0067 [1,0,0,0,0,0|3,0,0]=4 12 B6R0.4 NCCCC(=O)O HY-N0067R [1,0,0,0,0,0|3,0,0]=4 13 B8R0.9 COC(=O)CCC(C)=O HY-N3272 [0,1,0,0,0,0|2,0,1]=4 14 B8R0.23 CC(C)CC(=O)C(=O)O HY-W012722 [0,1,0,0,0,0|2,0,0]=3 15 B8R0.23 CC(C)CC(=O)C(=O)O HY-W012722R [0,1,0,0,0,0|2,0,0]=3 16 B8R0.23 CC(C)CC(N)C(=O)O HY-B1674 [0,1,0,0,0,0|2,0,0]=3 17 B8R0.23 CC(C)CC(O)C(=O)O HY-30216A [0,1,0,0,0,0|2,0,0]=3 18 B8R0.23 CC(C)CC(O)C(=O)O HY-30216AR [0,1,0,0,0,0|2,0,0]=3 19 B8R0.23 CC(C)C[C@@H](N)C(=O)O HY-Y0378 [0,1,0,0,0,0|2,0,0]=3 20 B8R0.23 CC(C)C[C@H](N)C(=O)O HY-N0486 [0,1,0,0,0,0|2,0,0]=3 21 B8R0.23 CC(C)C[C@H](N)C(=O)O HY-N0486R [0,1,0,0,0,0|2,0,0]=3 22 B8R0.23 CC(C)C[C@H](N)C(N)=O HY-W088014 [0,1,0,0,0,0|2,0,0]=3 23 B8R0.23 CC(C)C[C@H](N)[13C](=O)O HY-N0486S1 [0,1,0,0,0,0|2,0,0]=3 24 B8R0.23 CC(C)C[C@H](O)C(=O)O HY-30215 [0,1,0,0,0,0|2,0,0]=3 25 B8R0.23 CC(C)C[C@H](O)C(=O)O HY-30215R [0,1,0,0,0,0|2,0,0]=3 26 B8R0.23 CC(C)C[C@H]([15NH2])[13C](=O)O HY-N0486S7 [0,1,0,0,0,0|2,0,0]=3 27 B8R0.29 CC(C)(C)NCC(=O)O HY-W040723 [0,1,0,0,0,0|3,0,0]=4 28 B8R1.3 C[C@H]1CC[C@H](N)CC1 HY-W010538 [0,0,0,1,0,0|2,0,1]=4 29 B8R1.3 O=C1CCC(=O)CC1 HY-W010554 [0,0,0,1,0,0|2,0,1]=4 30 B8R1.51 CC1(C)C=CC(=O)C1 HY-W024604 [0,0,0,1,0,0|1,0,1]=3 31 B6R0.2 CC(=O)\C=C(\C)[O-] HY-W020952 [0,0,0,0,1,0|1,0,2]=4 32 B6R0.2 CC(C)CB(O)O HY-W000978 [0,0,0,0,1,0|2,0,1]=4 33 B6R0.2 CC(C)CC(=O)O HY-W012980 [0,0,0,0,1,0|1,0,0]=2 34 B6R0.2 CC(C)CC(N)=O HY-B1229 [0,0,0,0,1,0|1,0,0]=2 35 B6R0.2 CC(C)C[13C](=O)O HY-W012980S1 [0,0,0,0,1,0|1,0,0]=2 36 B6R0.2 CC(C)SC(=N)N HY-101304 [0,0,0,0,1,0|2,1,0]=4 37 B6R0.2 CC(N)CC(=O)O HY-W008833 [0,0,0,0,1,0|2,0,0]=3 38 B6R0.2 CC(N)CN(C)C HY-32007 [0,0,0,0,1,0|2,0,1]=4 39 B6R0.2 CC(N)CN(C)C HY-32007A [0,0,0,0,1,0|2,0,1]=4 40 B6R0.2 CC(O)CC(=O)O HY-113378 [0,0,0,0,1,0|2,0,0]=3 41 B6R0.2 CN(C)CC(=O)O HY-W001158 [0,0,0,0,1,0|2,0,0]=3 42 B6R0.2 CN(C)CC(=O)O HY-Y0511 [0,0,0,0,1,0|2,0,0]=3 43 B6R0.2 CN(C)CC(=O)O HY-Y0511R [0,0,0,0,1,0|2,0,0]=3 44 B6R0.2 C[C@@H](O)CC(=O)O HY-W051723 [0,0,0,0,1,0|2,0,0]=3 45 B6R0.2 C[C@H](N)CC(=O)O HY-W001210 [0,0,0,0,1,0|2,0,0]=3 46 B6R0.2 C[C@H](O)CC(=O)O HY-W050031 [0,0,0,0,1,0|2,0,0]=3 47 B8R0.28 CC(=O)CCC=C(C)C HY-W010435 [0,0,0,0,0,1|1,0,1]=3 48 B8R0.28 CC(=O)O[PbH2]OC(C)=O HY-W115728 [0,0,0,0,0,1|2,0,1]=4 49 B8R0.28 CC(C)CCCC(C)N HY-B1233 [0,0,0,0,0,1|2,0,1]=4 50 B8R0.28 CC(C)CCCC(C)N HY-B1233A [0,0,0,0,0,1|2,0,1]=4 51 B5R0.1 CC(=O)CCO HY-W051287 [2,0,0,0,0,0|1,0,0]=3 52 B5R0.1 CC(=O)NCO HY-W024564 [2,0,0,0,0,0|2,0,0]=4 53 B5R0.1 CC(C)=CC=O HY-34409 [2,0,0,0,0,0|0,0,2]=4 54 B5R0.1 CCCC(N)=O HY-W088319 [2,0,0,0,0,0|1,0,0]=3 55 B5R0.1 CCOC(N)=O HY-B1207 [2,0,0,0,0,0|1,0,0]=3 56 B5R0.1 CCOC(N)=O HY-B1207R [2,0,0,0,0,0|1,0,0]=3 57 B5R0.1 CN(C)CC=O HY-100061A [2,0,0,0,0,0|1,0,0]=3 58 B5R0.1 CNCC(=O)O HY-101037 [2,0,0,0,0,0|2,0,0]=4 59 B5R0.1 CNCC(=O)O HY-101037R [2,0,0,0,0,0|2,0,0]=4 60 B5R0.1 COCC(=O)O HY-Y1009 [2,0,0,0,0,0|2,0,0]=4 61 B5R0.1 NCCC(=O)O HY-N0230 [2,0,0,0,0,0|2,0,0]=4 62 B5R0.2 CCCSSC HY-N7436 [2,0,0,0,0,0|1,1,0]=4 63 B5R0.2 CC\C=C\C=O HY-W111375 [2,0,0,0,0,0|1,0,1]=4 64 B7R0.2 CCC(C)CC(=O)O HY-W010513 [1,1,0,0,0,0|2,0,0]=4 65 B7R0.2 CCC(C)CC(=O)O HY-W010513R [1,1,0,0,0,0|2,0,0]=4 66 B7R0.2 CCC(C)OC(C)=O HY-158759 [1,1,0,0,0,0|0,0,0]=2 67 B7R0.2 CCC(O)CC(=O)O HY-113004 [1,1,0,0,0,0|2,0,0]=4 68 B7R0.3 CCCCC(=O)NN HY-W012890 [1,1,0,0,0,0|2,0,0]=4 69 B7R0.3 COC(=O)CCCBr HY-W004701 [1,1,0,0,0,0|2,0,0]=4 70 B7R0.3 COC(=O)CCCN HY-79594 [1,1,0,0,0,0|2,0,0]=4 71 B7R0.4 CCC\C=C\C(=O)O HY-W010531 [1,1,0,0,0,0|2,0,0]=4 72 B7R0.4 NCCCCC(=O)O HY-W015878 [1,1,0,0,0,0|2,0,0]=4 73 B7R0.4 NCCOCC(=O)O HY-140643 [1,1,0,0,0,0|2,0,0]=4 74 B7R0.4 NCCOCC(=O)O HY-140644 [1,1,0,0,0,0|2,0,0]=4 75 B7R0.4 O=C(Cl)CCCCBr HY-43538 [1,1,0,0,0,0|2,0,0]=4 76 B7R0.4 O=C(O)CCCCBr HY-W016456 [1,1,0,0,0,0|2,0,0]=4 77 B7R0.4 O=C(O)COCCBr HY-130163 [1,1,0,0,0,0|2,0,0]=4 78 B7R0.4 O=C(O)COCCS HY-140730 [1,1,0,0,0,0|2,0,0]=4 79 B7R0.4 O=[N+]([O-])OCCCO HY-139566 [1,1,0,0,0,0|2,0,0]=4 80 B7R0.5 CCCC(=O)C(=O)O HY-113098 [1,1,0,0,0,0|2,0,0]=4 81 B7R0.5 CCCC(C)C(=O)O HY-W010516 [1,1,0,0,0,0|2,0,0]=4 82 B7R0.5 CCCC(N)C(=O)O HY-W010510 [1,1,0,0,0,0|2,0,0]=4 83 B7R0.5 CCC[C@@H](N)C(=O)O HY-41309 [1,1,0,0,0,0|2,0,0]=4 84 B7R0.5 CCC[C@H](N)C(=O)O HY-Y0399 [1,1,0,0,0,0|2,0,0]=4 85 B7R0.5 CCOC(=O)C(C)=O HY-Y1362 [1,1,0,0,0,0|2,0,0]=4 86 B7R0.8 CCCCC(C)(C)O HY-W111893 [1,1,0,0,0,0|1,0,1]=4 87 B7R0.9 CC(C)(O)CC(=O)O HY-113409R [0,1,0,0,1,0|1,0,0]=3 88 B7R0.9 CC(O)CC(C)(C)O HY-B0903 [0,1,0,0,1,0|0,0,2]=4 89 B7R0.9 CC(O)CC(C)(C)O HY-B0903R [0,1,0,0,1,0|0,0,2]=4 90 B7R0.9 C[N+](C)(C)CC(=O)O HY-N0739 [0,1,0,0,1,0|2,0,0]=4 91 B7R0.9 C[N+](C)(C)CC(=O)[O-] HY-B0710 [0,1,0,0,1,0|2,0,0]=4 92 B7R0.9 C[N+](C)(C)CC(=O)[O-] HY-W010348 [0,1,0,0,1,0|2,0,0]=4 93 B7R0.16 CC(C)C(=O)C(=O)O HY-W006057 [0,1,0,0,1,0|1,0,1]=4 94 B7R0.16 CC(C)C(N)C(=O)O HY-W012889 [0,1,0,0,1,0|1,0,0]=3 95 B7R0.16 CC(C)C(O)C(=O)O HY-W008150 [0,1,0,0,1,0|1,0,0]=3 96 B7R0.16 CC(C)[C@@H](N)C(=O)O HY-N0717A [0,1,0,0,1,0|1,0,0]=3 97 B7R0.16 CC(C)[C@H](N)C(=O)O HY-N0717 [0,1,0,0,1,0|1,0,0]=3 98 B7R0.16 CC(C)[C@H](N)C(=O)O HY-N0717R [0,1,0,0,1,0|1,0,0]=3 99 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O HY-W001959 [0,1,0,0,1,0|2,0,0]=4 100 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O HY-N0658 [0,1,0,0,1,0|2,0,0]=4 101 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O HY-N0658A [0,1,0,0,1,0|2,0,0]=4 102 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O HY-N0658R [0,1,0,0,1,0|2,0,0]=4 103 B7R0.16 C[C@@H](O)[C@H]([15NH2])C(=O)O HY-N0658S [0,1,0,0,1,0|2,0,0]=4 104 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O HY-W012874 [0,1,0,0,1,0|2,0,0]=4 105 B7R0.16 [C@@H](C)(O)[C@H](N)C(=O)O HY-W008315 [0,1,0,0,1,0|2,0,0]=4 106 B7R0.16 [C@@H](C)(O)[C@H](N)C(=O)O HY-W008315R [0,1,0,0,1,0|2,0,0]=4 107 B9R0.56 CC(=O)OCC[N+](C)(C)C HY-101086 [0,1,0,0,0,1|1,0,0]=3 108 B9R0.56 CC(=O)OCC[N+](C)(C)C HY-B0282 [0,1,0,0,0,1|1,0,0]=3 109 B9R0.56 CC(=O)OCC[N+](C)(C)C HY-B0282A [0,1,0,0,0,1|1,0,0]=3 110 B9R0.56 CC(=O)OCC[N+](C)(C)C HY-B0282R [0,1,0,0,0,1|1,0,0]=3 111 B9R0.56 CC(=O)SCC[N+](C)(C)C HY-D0904 [0,1,0,0,0,1|1,1,0]=4 112 B9R0.23 CC(C)CC(=O)C(=O)O[Na] HY-W017387 [0,2,0,0,0,0|2,0,0]=4 113 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O HY-W016424 [0,2,0,0,0,0|2,0,0]=4 114 B9R0.23 COC(=O)C(O)CC(C)C HY-22167 [0,2,0,0,0,0|1,0,0]=3 115 B9R0.23 COC(=O)[C@H](N)CC(C)C HY-W016425 [0,2,0,0,0,0|1,0,0]=3 116 B9R0.23 [C@H](N)(CC(C)C)C(=O)OC HY-W016427 [0,2,0,0,0,0|1,0,0]=3 117 B9R0.57 CC(C)(C)C[C@H](N)C(=O)O HY-79415 [0,2,0,0,0,0|2,0,0]=4 118 B7R1.2 CC1CCC(=O)O1 HY-W015938 [1,0,0,1,0,0|2,0,0]=4 119 B7R1.2 O=C1C[C@H](O)CN1 HY-W002597 [1,0,0,1,0,0|2,0,0]=4 120 B7R1.3 O=C1CCCCN1 HY-W042193 [1,0,0,1,0,0|1,0,0]=3 121 B7R1.3 O=C1CCCCO1 HY-W012997 [1,0,0,1,0,0|0,0,0]=2 122 B7R1.3 O=C1CCOCC1 HY-76487 [1,0,0,1,0,0|2,0,0]=4 123 B7R1.3 O=C1CCSCC1 HY-W002007 [1,0,0,1,0,0|2,0,0]=4 124 B7R1.3 O=C1CNCCN1 HY-20128 [1,0,0,1,0,0|2,0,0]=4 125 B7R1.20 O=C(O)CC1CC1 HY-W010610 [1,0,0,1,0,0|2,0,0]=4 126 B9R1.35 CC(C)[C@@H]1COC(=O)N1 HY-W002320 [0,0,0,1,0,1|1,0,0]=3 127 B9R1.35 CC(C)[C@H]1COC(=O)N1 HY-W002062 [0,0,0,1,0,1|1,0,0]=3 128 B9R1.66 CC1(C)CCCC(=O)C1 HY-79034 [0,0,0,1,0,1|1,0,0]=3 129 B9R1.66 CC1(O)CCOC(=O)C1 HY-107855 [0,0,0,1,0,1|1,0,0]=3 130 B9R1.66 C[C@@]1(O)CCOC(=O)C1 HY-135700 [0,0,0,1,0,1|1,0,0]=3 131 B9R1.10 CC1(C)CCC(=O)CC1 HY-W002564 [0,1,0,1,0,0|1,0,0]=3 132 B9R1.10 CC1(O)CCC(=O)CC1 HY-W036733 [0,1,0,1,0,0|1,0,0]=3 133 B9R1.69 CC1CN(C)CCC1=O HY-76718 [0,1,0,1,0,0|2,0,0]=4 134 B9R1.138 CC1(C)COC(=O)C1O HY-W053519 [0,1,0,1,0,0|0,0,0]=2 135 B9R1.138 [C@H]1(O)C(=O)OCC1(C)C HY-W010396 [0,1,0,1,0,0|0,0,0]=2 136 B9R1.112 [C@H](N)(CC1CC1)C(=O)O HY-W008028 [0,1,0,1,0,0|2,0,0]=4 137 B5R0.5 CC(=O)N(C)C HY-W042416 [0,0,0,0,2,0|1,0,0]=3 138 B5R0.5 CC(N)C(=O)O HY-N2362 [0,0,0,0,2,0|2,0,0]=4 139 B5R0.5 CC(O)C(=O)O HY-B1530 [0,0,0,0,2,0|2,0,0]=4 140 B5R0.5 CC(O)C(=O)O HY-B2227 [0,0,0,0,2,0|2,0,0]=4 141 B5R0.5 CC(O)C(=O)O HY-B2227D [0,0,0,0,2,0|2,0,0]=4 142 B5R0.5 CC(O)C(=O)O HY-B2227R [0,0,0,0,2,0|2,0,0]=4 143 B5R0.5 CC(O)C(=O)O HY-W250313 [0,0,0,0,2,0|2,0,0]=4 144 B5R0.5 CC(O)C(=O)[O-] HY-B2227A [0,0,0,0,2,0|2,0,0]=4 145 B5R0.5 CC(O)C(=O)[O-] HY-B2227C [0,0,0,0,2,0|2,0,0]=4 146 B5R0.5 C[C@H](N)C(=O)O HY-N0229 [0,0,0,0,2,0|2,0,0]=4 147 B5R0.5 C[C@H](N)C(=O)O HY-N0229R [0,0,0,0,2,0|2,0,0]=4 148 B5R0.5 C[C@H](O)C(=O)O HY-Y0479 [0,0,0,0,2,0|2,0,0]=4 149 B5R0.5 [2H]N(C)C(C)=O HY-W020018S1 [0,0,0,0,2,0|2,0,0]=4 150 B9R0.55 CC(C)CCCCC(=O)O HY-W101588 [0,0,0,0,0,2|2,0,0]=4