0 B8R0.9 C#CC(N)CCC(=O)O HY-131693A [0,0,0,0,0,0|0,0,2]=2 1 B8R0.9 C=CC(N)CCC(=O)O HY-B0033 [0,0,0,0,0,0|0,0,0]=0 2 B8R0.9 NCC(=O)CCC(=O)O HY-N0305 [0,0,0,0,0,0|2,0,2]=4 3 B8R0.9 NCC(=O)CCC(=O)O HY-N0305R [0,0,0,0,0,0|2,0,2]=4 4 B7R0.4 C#CCCCC(=O)O HY-Y0925 [1,0,0,0,0,0|0,0,2]=3 5 B7R0.4 C#CCNCC(=O)O HY-142035 [1,0,0,0,0,0|1,0,2]=4 6 B7R0.4 NCCCCC(=O)O HY-W015878 [1,0,0,0,0,0|1,0,1]=3 7 B7R0.4 NCCOCC(=O)O HY-140643 [1,0,0,0,0,0|2,0,1]=4 8 B7R0.4 NCCOCC(=O)O HY-140644 [1,0,0,0,0,0|2,0,1]=4 9 B7R0.4 O=C(Cl)CCCCBr HY-43538 [1,0,0,0,0,0|2,0,1]=4 10 B7R0.4 O=C(O)CCCCBr HY-W016456 [1,0,0,0,0,0|1,0,1]=3 11 B7R0.4 O=C(O)COCCBr HY-130163 [1,0,0,0,0,0|2,0,1]=4 12 B7R0.4 O=C(O)COCCS HY-140730 [1,0,0,0,0,0|2,0,1]=4 13 B7R0.6 CC(=O)CCC(=O)O HY-Y0839 [1,0,0,0,0,0|1,0,2]=4 14 B7R0.6 CC(C)CCC(=O)O HY-W015882 [1,0,0,0,0,0|1,0,1]=3 15 B7R0.6 CC(C)CCC(=O)O HY-W015882R [1,0,0,0,0,0|1,0,1]=3 16 B7R0.6 N=C(N)NCC(=O)O HY-W021448 [1,0,0,0,0,0|2,0,1]=4 17 B7R0.6 O=C(O)CCC(=O)O HY-N0420 [1,0,0,0,0,0|2,0,1]=4 18 B7R0.6 O=C(O)CCC(=O)O HY-N0420R [1,0,0,0,0,0|2,0,1]=4 19 B7R0.6 O=C(O)CC[N+](=O)[O-] HY-W012875 [1,0,0,0,0,0|3,0,0]=4 20 B7R0.6 O=[13C](O)CC[13C](=O)O HY-N0420S3 [1,0,0,0,0,0|2,0,1]=4 21 B9R0.7 CC(=O)OC[C@H](N)C(=O)O HY-101409 [0,1,0,0,0,0|3,0,0]=4 22 B9R0.7 CC(=O)OC[C@H](N)C(=O)O HY-101409A [0,1,0,0,0,0|3,0,0]=4 23 B9R0.7 CC(=O)OC[C@H](N)C(=O)O HY-101409R [0,1,0,0,0,0|3,0,0]=4 24 B9R0.7 CC(CCC(=O)O)C(=O)O HY-W017524 [0,1,0,0,0,0|2,0,0]=3 25 B9R0.7 CS(=O)CCC(N)C(=O)O HY-W010104A [0,1,0,0,0,0|3,0,0]=4 26 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O HY-129770 [0,1,0,0,0,0|3,0,0]=4 27 B9R0.7 C[C@H](NCC(=O)O)C(=O)O HY-W105634 [0,1,0,0,0,0|3,0,0]=4 28 B9R0.7 NC(=O)CCC(N)C(=O)O HY-B1346 [0,1,0,0,0,0|2,0,0]=3 29 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O HY-100587 [0,1,0,0,0,0|2,0,0]=3 30 B9R0.7 NC(=O)CC[C@H](N)C(=O)O HY-N0390 [0,1,0,0,0,0|2,0,0]=3 31 B9R0.7 NC(=O)CC[C@H](N)C(=O)O HY-N0390R [0,1,0,0,0,0|2,0,0]=3 32 B9R0.7 NC(=O)CC[C@H]([15NH2])C(=O)O HY-N0390S [0,1,0,0,0,0|2,0,0]=3 33 B9R0.7 NC(=O)NC[C@H](N)C(=O)O HY-121167 [0,1,0,0,0,0|3,0,0]=4 34 B9R0.7 NC(CCC(=O)O)C(=O)O HY-W010108 [0,1,0,0,0,0|1,0,0]=2 35 B9R0.7 NC(CCC(=O)O)C(=O)O HY-W041895 [0,1,0,0,0,0|1,0,0]=2 36 B9R0.7 N[13C@@H]([13CH2][13CH2][13C](=O)O)[13C](=O)O HY-14608S5 [0,1,0,0,0,0|1,0,0]=2 37 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O HY-112111 [0,1,0,0,0,0|1,0,0]=2 38 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O HY-14608 [0,1,0,0,0,0|1,0,0]=2 39 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O HY-14608R [0,1,0,0,0,0|1,0,0]=2 40 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O HY-W016319 [0,1,0,0,0,0|1,0,0]=2 41 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O HY-W419700 [0,1,0,0,0,0|1,0,0]=2 42 B9R0.7 N[C@@H](CCC(=O)O)[13C](=O)O HY-14608S1 [0,1,0,0,0,0|1,0,0]=2 43 B9R0.7 N[C@H](CCC(=O)O)C(=O)O HY-100805 [0,1,0,0,0,0|1,0,0]=2 44 B9R0.7 N[C@H](CCC(=O)O)C(=O)O HY-100805R [0,1,0,0,0,0|1,0,0]=2 45 B9R0.7 O=C(O)CCC(=O)C(=O)O HY-W013636 [0,1,0,0,0,0|2,0,1]=4 46 B9R0.7 O=C(O)CCC(=O)C(=O)O HY-W013636C [0,1,0,0,0,0|2,0,1]=4 47 B9R0.7 O=C(O)CCC(=O)C(=O)O HY-W013636R [0,1,0,0,0,0|2,0,1]=4 48 B9R0.7 O=[13C](O)[13CH2][13CH2][13C](=O)[13C](=O)O HY-W013636S [0,1,0,0,0,0|2,0,1]=4 49 B9R0.7 [15NH2][C@@H](CCC(=O)O)C(=O)O HY-14608S2 [0,1,0,0,0,0|1,0,0]=2 50 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O HY-W016424 [0,1,0,0,0,0|1,0,2]=4 51 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 HY-W061761 [0,0,0,1,0,0|0,0,2]=3 52 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 HY-W044620 [0,0,0,1,0,0|2,0,1]=4 53 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 HY-40135 [0,0,0,1,0,0|2,0,1]=4 54 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 HY-40135R [0,0,0,1,0,0|2,0,1]=4 55 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 HY-40136 [0,0,0,1,0,0|2,0,1]=4 56 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 HY-W019213 [0,0,0,1,0,0|2,0,1]=4 57 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 HY-76104 [0,0,0,1,0,0|2,0,1]=4 58 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 HY-34666 [0,0,0,1,0,0|2,0,1]=4 59 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 HY-W003511 [0,0,0,1,0,0|2,0,1]=4 60 B9R1.35 [C@H]1(O)CN[C@@H](C(=O)O)C1 HY-W008129 [0,0,0,1,0,0|2,0,1]=4 61 B7R0.2 CCC(C)CC(=O)O HY-W010513 [0,0,0,0,1,0|1,0,2]=4 62 B7R0.2 CCC(C)CC(=O)O HY-W010513R [0,0,0,0,1,0|1,0,2]=4 63 B7R0.2 CCC(O)CC(=O)O HY-113004 [0,0,0,0,1,0|1,0,2]=4 64 B7R0.2 NCC(O)CC(=O)O HY-B1427 [0,0,0,0,1,0|2,0,1]=4 65 B7R0.2 N[C@@H](CO)CC(=O)O HY-W006063 [0,0,0,0,1,0|1,0,1]=3 66 B6R0.4 C=CCCC(=O)O HY-Y0624 [2,0,0,0,0,0|0,0,0]=2 67 B6R0.4 CCCCC(N)=O HY-W144037 [2,0,0,0,0,0|1,0,1]=4 68 B6R0.4 CCNCC(=O)O HY-W141879 [2,0,0,0,0,0|1,0,1]=4 69 B6R0.4 CCOCC(=O)O HY-W027555 [2,0,0,0,0,0|1,0,1]=4 70 B6R0.4 CSCCC(=O)O HY-101401 [2,0,0,0,0,0|1,0,1]=4 71 B6R0.4 C\C=C\CC(=O)O HY-W088501 [2,0,0,0,0,0|0,0,2]=4 72 B6R0.4 NCCCC(=O)O HY-N0067 [2,0,0,0,0,0|0,0,0]=2 73 B6R0.4 NCCCC(=O)O HY-N0067R [2,0,0,0,0,0|0,0,0]=2 74 B6R0.4 NC\C=C\C(=O)O HY-100800 [2,0,0,0,0,0|0,0,2]=4 75 B6R0.4 O=CNCC(=O)O HY-128735 [2,0,0,0,0,0|2,0,0]=4 76 B6R0.6 C=CCCCCO HY-W012995 [2,0,0,0,0,0|0,0,1]=3 77 B8R0.5 CCCC(O)CC(=O)O HY-113836 [1,1,0,0,0,0|0,0,2]=4 78 B8R0.7 C#CCOCCC(=O)O HY-130504 [1,1,0,0,0,0|0,0,2]=4 79 B8R0.7 COCCOCC(=O)O HY-W1048558A [1,1,0,0,0,0|1,0,1]=4 80 B8R0.7 NCCOCCC(=O)O HY-140002 [1,1,0,0,0,0|1,0,1]=4 81 B8R0.7 O=C(O)CCOCCO HY-116655 [1,1,0,0,0,0|1,0,1]=4 82 B8R0.7 [N-]=[N+]=NCCCC(=O)O HY-W588704 [1,1,0,0,0,0|2,0,0]=4 83 B8R0.28 CC(=O)CCCC(=O)O HY-W001957 [1,1,0,0,0,0|0,0,1]=3 84 B8R0.28 CC(=O)NCCC(=O)O HY-66007 [1,1,0,0,0,0|1,0,1]=4 85 B8R0.28 N=C(N)NCCC(=O)O HY-W015828 [1,1,0,0,0,0|2,0,0]=4 86 B8R0.28 NC(=O)NCCC(=O)O HY-113285 [1,1,0,0,0,0|2,0,0]=4 87 B8R0.28 O=C(O)CCCC(=O)O HY-W008820 [1,1,0,0,0,0|1,0,0]=3 88 B8R0.28 O=C(O)CCCC(=O)O HY-W008820R [1,1,0,0,0,0|1,0,0]=3 89 B8R0.28 O=C(O)CNCC(=O)O HY-W012683 [1,1,0,0,0,0|2,0,0]=4 90 B8R0.23 CC(C)CC(N)C(=O)O HY-B1674 [1,1,0,0,0,0|1,0,1]=4 91 B8R0.23 CC(C)CC(O)C(=O)O HY-30216A [1,1,0,0,0,0|1,0,1]=4 92 B8R0.23 CC(C)CC(O)C(=O)O HY-30216AR [1,1,0,0,0,0|1,0,1]=4 93 B8R0.23 CC(C)C[C@@H](N)C(=O)O HY-Y0378 [1,1,0,0,0,0|1,0,1]=4 94 B8R0.23 CC(C)C[C@H](N)C(=O)O HY-N0486 [1,1,0,0,0,0|1,0,1]=4 95 B8R0.23 CC(C)C[C@H](N)C(=O)O HY-N0486R [1,1,0,0,0,0|1,0,1]=4 96 B8R0.23 CC(C)C[C@H](N)[13C](=O)O HY-N0486S1 [1,1,0,0,0,0|1,0,1]=4 97 B8R0.23 CC(C)C[C@H](O)C(=O)O HY-30215 [1,1,0,0,0,0|1,0,1]=4 98 B8R0.23 CC(C)C[C@H](O)C(=O)O HY-30215R [1,1,0,0,0,0|1,0,1]=4 99 B8R0.23 CC(C)C[C@H]([15NH2])[13C](=O)O HY-N0486S7 [1,1,0,0,0,0|1,0,1]=4 100 B8R0.23 NC(=O)CC(N)C(=O)O HY-W017442 [1,1,0,0,0,0|1,0,1]=4 101 B8R0.23 NC(=O)C[C@@H](N)C(=O)O HY-W010378 [1,1,0,0,0,0|1,0,1]=4 102 B8R0.23 NC(=O)C[C@H](N)C(=O)O HY-N0667R [1,1,0,0,0,0|1,0,1]=4 103 B8R0.23 NC(=O)C[C@H](N)C(=O)O HY-W017443 [1,1,0,0,0,0|1,0,1]=4 104 B8R0.23 [15NH2]C(=O)C[C@H]([15NH2])C(=O)O HY-N0667S2 [1,1,0,0,0,0|1,0,1]=4 105 B10R0.98 NC(CCCC(=O)O)C(=O)O HY-113328 [0,1,0,0,0,1|1,0,0]=3 106 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O HY-D0205A [0,1,0,0,0,1|1,0,0]=3 107 B10R0.98 [C@H](N)(CCCC(=O)O)C(=O)O HY-W013665 [0,1,0,0,0,1|1,0,0]=3 108 B10R0.98 [C@H](N)(CCCC(=O)O)C(=O)O HY-W013665R [0,1,0,0,0,1|1,0,0]=3 109 B10R0.84 CNC(CCC(=O)O)C(=O)O HY-W015424 [0,2,0,0,0,0|1,0,0]=3 110 B10R0.92 CP(=O)(O)CCC(N)C(=O)O HY-W019870 [0,2,0,0,0,0|2,0,0]=4 111 B10R0.92 NC(CCP(=O)(O)O)C(=O)O HY-100743 [0,2,0,0,0,0|2,0,0]=4 112 B10R0.92 NC(CCS(=O)(=O)O)C(=O)O HY-W016342 [0,2,0,0,0,0|2,0,0]=4 113 B10R0.92 N[C@@H](CCS(=O)(=O)O)C(=O)O HY-138903 [0,2,0,0,0,0|2,0,0]=4 114 B10R0.26 C=CCS(=O)C[C@H](N)C(=O)O HY-126085 [0,2,0,0,0,0|2,0,0]=4 115 B10R0.96 CC(CCC(=O)O)CC(=O)O HY-113277 [0,2,0,0,0,0|1,0,1]=4 116 B8R1.50 N[C@@H]1CCN(O)C1=O HY-100822 [1,0,0,1,0,0|2,0,0]=4 117 B8R1.4 O=C1CCCC(=O)C1 HY-W007466 [1,0,0,1,0,0|2,0,0]=4 118 B8R1.4 O=C1CCCC(=O)N1 HY-I0466 [1,0,0,1,0,0|2,0,0]=4 119 B8R1.4 O=C1COCC(=O)O1 HY-W074326 [1,0,0,1,0,0|2,0,0]=4 120 B8R1.7 O=C(O)C1=CCCC1 HY-W005540 [1,0,0,1,0,0|0,0,2]=4 121 B8R1.7 O=C(O)C1CCCN1 HY-W012908 [1,0,0,1,0,0|1,0,1]=4 122 B8R1.7 O=C(O)[C@@H]1C=CCN1 HY-W015897 [1,0,0,1,0,0|1,0,0]=3 123 B8R1.7 O=C(O)[C@@H]1CCCN1 HY-WAA0253 [1,0,0,1,0,0|1,0,1]=4 124 B8R1.7 O=C(O)[C@@H]1CCCN1 HY-Y0252 [1,0,0,1,0,0|1,0,1]=4 125 B8R1.7 O=C(O)[C@@H]1CCCN1 HY-Y0252R [1,0,0,1,0,0|1,0,1]=4 126 B8R1.7 O=C(O)[C@@H]1CCNC1 HY-60256 [1,0,0,1,0,0|1,0,1]=4 127 B8R1.7 O=C(O)[C@H]1CCCN1 HY-75087 [1,0,0,1,0,0|1,0,1]=4 128 B8R1.7 O=C(O)[C@H]1CCCO1 HY-W005223 [1,0,0,1,0,0|1,0,1]=4 129 B8R1.18 CC1CC(=O)OC1=O HY-Z0059 [0,0,0,1,1,0|2,0,0]=4 130 B10R1.113 NC1C=CC=C(C(=O)O)C1 HY-15377 [0,1,0,1,0,0|0,0,1]=3 131 B10R1.66 O=C(O)CCC1=CN=CN1 HY-W045271 [0,1,0,1,0,0|0,0,1]=3 132 B6R0.2 CC(C)CC(=O)O HY-W012980 [1,0,0,0,1,0|1,0,1]=4 133 B6R0.2 CC(C)C[13C](=O)O HY-W012980S1 [1,0,0,0,1,0|1,0,1]=4 134 B6R0.2 CC(N)CC(=O)O HY-W008833 [1,0,0,0,1,0|0,0,1]=3 135 B6R0.2 CC(O)CC(=O)O HY-113378 [1,0,0,0,1,0|1,0,1]=4 136 B6R0.2 C[C@@H](O)CC(=O)O HY-W051723 [1,0,0,0,1,0|1,0,1]=4 137 B6R0.2 C[C@H](N)CC(=O)O HY-W001210 [1,0,0,0,1,0|0,0,1]=3 138 B6R0.2 C[C@H](O)CC(=O)O HY-W050031 [1,0,0,0,1,0|1,0,1]=4 139 B6R0.3 CCC(N)C(=O)O HY-W010590 [0,0,0,0,2,0|0,0,2]=4 140 B6R0.3 CC[C@@H](N)C(=O)O HY-Y0127 [0,0,0,0,2,0|0,0,2]=4 141 B6R0.3 NC(CO)C(=O)O HY-Y0507 [0,0,0,0,2,0|1,0,1]=4 142 B6R0.3 NC(CS)C(=O)O HY-W013651 [0,0,0,0,2,0|1,0,1]=4 143 B6R0.3 NC(CS)C(=O)O HY-W016716 [0,0,0,0,2,0|1,0,1]=4 144 B6R0.3 NCC(N)C(=O)O HY-W013674 [0,0,0,0,2,0|1,0,1]=4 145 B6R0.3 NC[C@@H](N)C(=O)O HY-W010312 [0,0,0,0,2,0|1,0,1]=4 146 B6R0.3 NC[C@H](N)C(=O)O HY-W013673 [0,0,0,0,2,0|1,0,1]=4 147 B6R0.3 N[13C@@H]([13CH2]O)[13C](=O)O HY-N0650S [0,0,0,0,2,0|1,0,1]=4 148 B6R0.3 N[C@@H](CCl)C(=O)O HY-107373 [0,0,0,0,2,0|1,0,1]=4 149 B6R0.3 N[C@@H](CO)C(=O)O HY-N0650 [0,0,0,0,2,0|1,0,1]=4 150 B6R0.3 N[C@@H](CO)C(=O)O HY-N0650R [0,0,0,0,2,0|1,0,1]=4 151 B6R0.3 N[C@@H](CO)[13C](=O)O HY-N0650S2 [0,0,0,0,2,0|1,0,1]=4 152 B6R0.3 N[C@@H](CS)C(=O)O HY-W016715 [0,0,0,0,2,0|1,0,1]=4 153 B6R0.3 N[C@@H](CS)C(=O)O HY-W016715R [0,0,0,0,2,0|1,0,1]=4 154 B6R0.3 N[C@@H](CS)C(=O)O HY-Y0337 [0,0,0,0,2,0|1,0,1]=4 155 B6R0.3 N[C@@H](CS)C(=O)O HY-Y0337A [0,0,0,0,2,0|1,0,1]=4 156 B6R0.3 N[C@@H](CS)C(=O)O HY-Y0337R [0,0,0,0,2,0|1,0,1]=4 157 B6R0.3 N[C@H](CCl)C(=O)O HY-W015457 [0,0,0,0,2,0|1,0,1]=4 158 B6R0.3 N[C@H](CO)C(=O)O HY-100808 [0,0,0,0,2,0|1,0,1]=4 159 B6R0.3 N[C@H](CS)C(=O)O HY-W002074 [0,0,0,0,2,0|1,0,1]=4 160 B6R0.3 N[C@H](CS)C(=O)O HY-W018555 [0,0,0,0,2,0|1,0,1]=4 161 B6R0.3 N[C@H](CS)C(=O)O HY-W055811 [0,0,0,0,2,0|1,0,1]=4 162 B6R0.3 [C@H](N)(CC)C(=O)O HY-W010589 [0,0,0,0,2,0|0,0,2]=4