0 B7R0.6 C(C(=O)O)=CC(=O)O HY-W015883 [0,0,0,0,0,0|1,0,2]=3 1 B7R0.6 CC(=O)CCC(=O)O HY-Y0839 [0,0,0,0,0,0|0,0,0]=0 2 B7R0.6 CC(=O)NCC(=O)O HY-Y0069 [0,0,0,0,0,0|1,0,0]=1 3 B7R0.6 CC(=O)NNC(C)=O HY-I0777 [0,0,0,0,0,0|3,0,0]=3 4 B7R0.6 CC(C)CCC(=O)O HY-W015882 [0,0,0,0,0,0|1,0,1]=2 5 B7R0.6 CC(C)CCC(=O)O HY-W015882R [0,0,0,0,0,0|1,0,1]=2 6 B7R0.6 N=C(N)NCC(=O)O HY-W021448 [0,0,0,0,0,0|3,0,0]=3 7 B7R0.6 NC(=O)\C=C/C(=O)O HY-128750 [0,0,0,0,0,0|1,0,2]=3 8 B7R0.6 O=C(O)C#CC(=O)O HY-W094710 [0,0,0,0,0,0|1,0,2]=3 9 B7R0.6 O=C(O)CCC(=O)O HY-N0420 [0,0,0,0,0,0|1,0,0]=1 10 B7R0.6 O=C(O)CCC(=O)O HY-N0420R [0,0,0,0,0,0|1,0,0]=1 11 B7R0.6 O=C(O)CC[N+](=O)[O-] HY-W012875 [0,0,0,0,0,0|2,0,0]=2 12 B7R0.6 O=C(O)\C=C/C(=O)O HY-Y0367 [0,0,0,0,0,0|1,0,2]=3 13 B7R0.6 O=C(O)\C=C\C(=O)O HY-107829 [0,0,0,0,0,0|1,0,2]=3 14 B7R0.6 O=C(O)\C=C\C(=O)O HY-W015883R [0,0,0,0,0,0|1,0,2]=3 15 B7R0.6 O=C([O-])CCC(=O)[O-] HY-W105775 [0,0,0,0,0,0|1,0,1]=2 16 B7R0.6 O=C([O-])\C=C\C(=O)[O-] HY-B1651 [0,0,0,0,0,0|1,0,3]=4 17 B7R0.6 O=[13C](O)CC[13C](=O)O HY-N0420S3 [0,0,0,0,0,0|1,0,0]=1 18 B6R0.4 C=CCCC(=O)O HY-Y0624 [1,0,0,0,0,0|0,0,1]=2 19 B6R0.4 CC(C)CCCO HY-W007511 [1,0,0,0,0,0|1,0,2]=4 20 B6R0.4 CCCCB(O)O HY-W000932 [1,0,0,0,0,0|1,0,2]=4 21 B6R0.4 CCCCC(N)=O HY-W144037 [1,0,0,0,0,0|1,0,1]=3 22 B6R0.4 CCNCC(=O)O HY-W141879 [1,0,0,0,0,0|1,0,1]=3 23 B6R0.4 CCOCC(=O)O HY-W027555 [1,0,0,0,0,0|1,0,1]=3 24 B6R0.4 CC\C=C\C(=O)O HY-W061674 [1,0,0,0,0,0|0,0,3]=4 25 B6R0.4 CSCCC(=O)O HY-101401 [1,0,0,0,0,0|1,0,0]=2 26 B6R0.4 C\C=C\CC(=O)O HY-W088501 [1,0,0,0,0,0|0,0,1]=2 27 B6R0.4 NCCCC(=O)O HY-N0067 [1,0,0,0,0,0|1,0,1]=3 28 B6R0.4 NCCCC(=O)O HY-N0067R [1,0,0,0,0,0|1,0,1]=3 29 B6R0.4 O=CNCC(=O)O HY-128735 [1,0,0,0,0,0|1,0,0]=2 30 B6R0.4 [N-]=[N+]=NCC(=O)O HY-151719 [1,0,0,0,0,0|3,0,0]=4 31 B8R0.9 C#CC(N)CCC(=O)O HY-131693A [0,1,0,0,0,0|1,0,2]=4 32 B8R0.9 C=CC(N)CCC(=O)O HY-B0033 [0,1,0,0,0,0|1,0,2]=4 33 B8R0.9 CCC(=O)NCC(=O)O HY-W587803 [0,1,0,0,0,0|1,0,0]=2 34 B8R0.9 COC(=O)CCC(C)=O HY-N3272 [0,1,0,0,0,0|0,0,0]=1 35 B8R0.9 COC(=O)\C=C\C(=O)O HY-103252 [0,1,0,0,0,0|0,0,2]=3 36 B8R0.9 NCC(=O)CCC(=O)O HY-N0305 [0,1,0,0,0,0|0,0,0]=1 37 B8R0.9 NCC(=O)CCC(=O)O HY-N0305R [0,1,0,0,0,0|0,0,0]=1 38 B8R0.9 NCC(=O)NCC(=O)O HY-D0889R [0,1,0,0,0,0|1,0,0]=2 39 B8R0.23 C=C(CC(=O)O)C(=O)O HY-Y0520 [0,1,0,0,0,0|1,0,1]=3 40 B8R0.23 C=C(CC(=O)O)C(=O)O HY-Y0520R [0,1,0,0,0,0|1,0,1]=3 41 B8R0.23 CC(=O)N[C@@H](C)C(=O)O HY-W004066 [0,1,0,0,0,0|1,0,0]=2 42 B8R0.23 CC(=O)N[C@@H](C)C(=O)O HY-W004066R [0,1,0,0,0,0|1,0,0]=2 43 B8R0.23 CC(C)CC(=O)C(=O)O HY-W012722 [0,1,0,0,0,0|1,0,2]=4 44 B8R0.23 CC(C)CC(=O)C(=O)O HY-W012722R [0,1,0,0,0,0|1,0,2]=4 45 B8R0.23 CC(C)CC(N)C(=O)O HY-B1674 [0,1,0,0,0,0|1,0,1]=3 46 B8R0.23 CC(C)CC(O)C(=O)O HY-30216A [0,1,0,0,0,0|1,0,1]=3 47 B8R0.23 CC(C)CC(O)C(=O)O HY-30216AR [0,1,0,0,0,0|1,0,1]=3 48 B8R0.23 CC(C)C[C@@H](N)C(=O)O HY-Y0378 [0,1,0,0,0,0|1,0,1]=3 49 B8R0.23 CC(C)C[C@H](N)C(=O)O HY-N0486 [0,1,0,0,0,0|1,0,1]=3 50 B8R0.23 CC(C)C[C@H](N)C(=O)O HY-N0486R [0,1,0,0,0,0|1,0,1]=3 51 B8R0.23 CC(C)C[C@H](N)C(N)=O HY-W088014 [0,1,0,0,0,0|2,0,1]=4 52 B8R0.23 CC(C)C[C@H](N)[13C](=O)O HY-N0486S1 [0,1,0,0,0,0|1,0,1]=3 53 B8R0.23 CC(C)C[C@H](O)C(=O)O HY-30215 [0,1,0,0,0,0|1,0,1]=3 54 B8R0.23 CC(C)C[C@H](O)C(=O)O HY-30215R [0,1,0,0,0,0|1,0,1]=3 55 B8R0.23 CC(C)C[C@H]([15NH2])[13C](=O)O HY-N0486S7 [0,1,0,0,0,0|1,0,1]=3 56 B8R0.23 CC(CC(=O)O)C(=O)O HY-W010381 [0,1,0,0,0,0|1,0,0]=2 57 B8R0.23 CN(CC(=O)O)C(=N)N HY-W010388 [0,1,0,0,0,0|3,0,0]=4 58 B8R0.23 CN(CC(=O)O)C(=N)N HY-W010388R [0,1,0,0,0,0|3,0,0]=4 59 B8R0.23 CN(CC(=O)O)C(=N)N HY-W017462 [0,1,0,0,0,0|3,0,0]=4 60 B8R0.23 CS(=O)C[C@H](N)C(=O)O HY-W017404 [0,1,0,0,0,0|1,0,0]=2 61 B8R0.23 C\C(=C/C(=O)O)C(=O)O HY-78036 [0,1,0,0,0,0|1,0,2]=4 62 B8R0.23 C\C(=C\C(=O)O)C(=O)O HY-113298 [0,1,0,0,0,0|1,0,2]=4 63 B8R0.23 NC(=O)CC(N)C(=O)O HY-W017442 [0,1,0,0,0,0|1,0,0]=2 64 B8R0.23 NC(=O)C[C@@H](N)C(=O)O HY-W010378 [0,1,0,0,0,0|1,0,0]=2 65 B8R0.23 NC(=O)C[C@H](N)C(=O)O HY-N0667R [0,1,0,0,0,0|1,0,0]=2 66 B8R0.23 NC(=O)C[C@H](N)C(=O)O HY-W017443 [0,1,0,0,0,0|1,0,0]=2 67 B8R0.23 NC(CC(=O)O)C(=O)O HY-W015824 [0,1,0,0,0,0|1,0,0]=2 68 B8R0.23 N[C@@H](CC(=O)O)C(=O)O HY-N0666R [0,1,0,0,0,0|1,0,0]=2 69 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] HY-N0666C [0,1,0,0,0,0|1,0,0]=2 70 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] HY-N0666B [0,1,0,0,0,0|1,0,1]=3 71 B8R0.23 N[C@@H](CS(=O)O)C(=O)O HY-100804 [0,1,0,0,0,0|2,0,0]=3 72 B8R0.23 N[C@@H](CS(=O)O)C(=O)O HY-W017230 [0,1,0,0,0,0|2,0,0]=3 73 B8R0.23 O=C(O)CC(=O)C(=O)O HY-W010382 [0,1,0,0,0,0|1,0,1]=3 74 B8R0.23 O=C(O)CC(=O)C(=O)O HY-W010382R [0,1,0,0,0,0|1,0,1]=3 75 B8R0.23 O=C(O)CC(O)C(=O)O HY-Y1311 [0,1,0,0,0,0|1,0,0]=2 76 B8R0.23 O=C(O)CC(O)C(=O)O HY-Y1311R [0,1,0,0,0,0|1,0,0]=2 77 B8R0.23 O=C(O)CC(S)C(=O)O HY-106381 [0,1,0,0,0,0|1,0,0]=2 78 B8R0.23 O=C(O)C[C@@H](O)C(=O)O HY-20558 [0,1,0,0,0,0|1,0,0]=2 79 B8R0.23 O=C(O)C[C@@H](O)C(=O)O HY-20558R [0,1,0,0,0,0|1,0,0]=2 80 B8R0.23 O=C(O)C[C@H](O)C(=O)O HY-Y1069 [0,1,0,0,0,0|1,0,0]=2 81 B8R0.23 [15NH2]C(=O)C[C@H]([15NH2])C(=O)O HY-N0667S2 [0,1,0,0,0,0|1,0,0]=2 82 B8R0.23 [15NH2][13C@@H]([13CH2][13C](=O)O)[13C](=O)O HY-N0666S1 [0,1,0,0,0,0|1,0,0]=2 83 B8R0.29 CC(C)(C)NCC(=O)O HY-W040723 [0,1,0,0,0,0|2,0,1]=4 84 B8R0.29 O=C(O)CCS(=O)(=O)O HY-W251779 [0,1,0,0,0,0|2,0,0]=3 85 B8R0.29 O=C(O)COP(=O)(O)O HY-138877A [0,1,0,0,0,0|3,0,0]=4 86 B8R1.3 O=C1CCC(=O)CC1 HY-W010554 [0,0,0,1,0,0|1,0,0]=2 87 B6R0.2 CC(=O)\C=C(\C)[O-] HY-W020952 [0,0,0,0,1,0|1,0,2]=4 88 B6R0.2 CC(C)CC(=O)O HY-W012980 [0,0,0,0,1,0|1,0,1]=3 89 B6R0.2 CC(C)CC(N)=O HY-B1229 [0,0,0,0,1,0|2,0,1]=4 90 B6R0.2 CC(C)C[13C](=O)O HY-W012980S1 [0,0,0,0,1,0|1,0,1]=3 91 B6R0.2 CC(N)CC(=O)O HY-W008833 [0,0,0,0,1,0|1,0,1]=3 92 B6R0.2 CC(O)CC(=O)O HY-113378 [0,0,0,0,1,0|0,0,2]=3 93 B6R0.2 CN(C)CC(=O)O HY-W001158 [0,0,0,0,1,0|2,0,0]=3 94 B6R0.2 CN(C)CC(=O)O HY-Y0511 [0,0,0,0,1,0|2,0,0]=3 95 B6R0.2 CN(C)CC(=O)O HY-Y0511R [0,0,0,0,1,0|2,0,0]=3 96 B6R0.2 C[C@@H](O)CC(=O)O HY-W051723 [0,0,0,0,1,0|0,0,2]=3 97 B6R0.2 C[C@H](N)CC(=O)O HY-W001210 [0,0,0,0,1,0|1,0,1]=3 98 B6R0.2 C[C@H](O)CC(=O)O HY-W050031 [0,0,0,0,1,0|0,0,2]=3 99 B6R0.2 O=C(O)[Ca]C(=O)O HY-Y0262D [0,0,0,0,1,0|2,0,0]=3 100 B6R0.2 O=C(O)[SnH2]C(=O)O HY-W105856 [0,0,0,0,1,0|2,0,0]=3 101 B6R0.2 O=C([O-])CC(=O)[O-] HY-W283726 [0,0,0,0,1,0|1,0,1]=3 102 B8R0.28 CC(=O)CCC=C(C)C HY-W010435 [0,0,0,0,0,1|2,0,0]=3 103 B8R0.28 CC(=O)CCCC(=O)O HY-W001957 [0,0,0,0,0,1|0,0,0]=1 104 B8R0.28 CC(=O)NCCC(=O)O HY-66007 [0,0,0,0,0,1|0,0,0]=1 105 B8R0.28 CC(=O)O[PbH2]OC(C)=O HY-W115728 [0,0,0,0,0,1|3,0,0]=4 106 B8R0.28 N=C(N)NCCC(=O)O HY-W015828 [0,0,0,0,0,1|2,0,0]=3 107 B8R0.28 NC(=O)NCCC(=O)O HY-113285 [0,0,0,0,0,1|1,0,0]=2 108 B8R0.28 O=C(O)CCCC(=O)O HY-W008820 [0,0,0,0,0,1|1,0,0]=2 109 B8R0.28 O=C(O)CCCC(=O)O HY-W008820R [0,0,0,0,0,1|1,0,0]=2 110 B8R0.28 O=C(O)CNCC(=O)O HY-W012683 [0,0,0,0,0,1|1,0,0]=2 111 B8R0.28 O=C(O)\C=C\CC(=O)O HY-W073501 [0,0,0,0,0,1|1,0,1]=3 112 B8R0.28 O=C(O)\C=C\CC(=O)O HY-W073501A [0,0,0,0,0,1|1,0,1]=3 113 B5R0.1 C#CCC(=O)O HY-W004784 [2,0,0,0,0,0|0,0,2]=4 114 B5R0.1 C=CCC(=O)O HY-W068697 [2,0,0,0,0,0|0,0,1]=3 115 B5R0.1 CC(=O)CCO HY-W051287 [2,0,0,0,0,0|0,0,0]=2 116 B5R0.1 CC(=O)NCO HY-W024564 [2,0,0,0,0,0|1,0,0]=3 117 B5R0.1 CC(C)=CC=O HY-34409 [2,0,0,0,0,0|1,0,1]=4 118 B5R0.1 CC(C)=CCO HY-W013035 [2,0,0,0,0,0|1,0,1]=4 119 B5R0.1 CC(O)CCO HY-77490A [2,0,0,0,0,0|0,0,2]=4 120 B5R0.1 CCCB(O)O HY-W007470 [2,0,0,0,0,0|1,0,1]=4 121 B5R0.1 CCCC(N)=O HY-W088319 [2,0,0,0,0,0|1,0,0]=3 122 B5R0.1 CCOC(N)=O HY-B1207 [2,0,0,0,0,0|2,0,0]=4 123 B5R0.1 CCOC(N)=O HY-B1207R [2,0,0,0,0,0|2,0,0]=4 124 B5R0.1 CN(C)CC=O HY-100061A [2,0,0,0,0,0|2,0,0]=4 125 B5R0.1 CNCC(=O)O HY-101037 [2,0,0,0,0,0|1,0,0]=3 126 B5R0.1 CNCC(=O)O HY-101037R [2,0,0,0,0,0|1,0,0]=3 127 B5R0.1 COCC(=O)O HY-Y1009 [2,0,0,0,0,0|1,0,0]=3 128 B5R0.1 C[C@@H](O)CCO HY-77490 [2,0,0,0,0,0|0,0,2]=4 129 B5R0.1 C\C=C\C(=O)O HY-Y1644 [2,0,0,0,0,0|0,0,1]=3 130 B5R0.1 NCCC(=O)O HY-N0230 [2,0,0,0,0,0|1,0,0]=3 131 B5R0.1 NCCS(=O)O HY-100803 [2,0,0,0,0,0|2,0,0]=4 132 B5R0.1 NOCC(=O)O HY-107994 [2,0,0,0,0,0|2,0,0]=4 133 B7R0.2 CCC(C)CC(=O)O HY-W010513 [1,1,0,0,0,0|0,0,1]=3 134 B7R0.2 CCC(C)CC(=O)O HY-W010513R [1,1,0,0,0,0|0,0,1]=3 135 B7R0.2 CCC(O)CC(=O)O HY-113004 [1,1,0,0,0,0|0,0,1]=3 136 B7R0.2 CN(CC(=O)O)N=O HY-W188178 [1,1,0,0,0,0|2,0,0]=4 137 B7R0.2 NCC(O)CC(=O)O HY-B1427 [1,1,0,0,0,0|1,0,1]=4 138 B7R0.2 N[C@@H](CO)CC(=O)O HY-W006063 [1,1,0,0,0,0|0,0,2]=4 139 B7R0.3 CCCCC(=O)NN HY-W012890 [1,1,0,0,0,0|1,0,1]=4 140 B7R0.3 COC(=O)CCCBr HY-W004701 [1,1,0,0,0,0|1,0,1]=4 141 B7R0.3 COC(=O)CCCN HY-79594 [1,1,0,0,0,0|1,0,1]=4 142 B7R0.4 C#CCCCC(=O)O HY-Y0925 [1,1,0,0,0,0|0,0,2]=4 143 B7R0.4 C#CCNCC(=O)O HY-142035 [1,1,0,0,0,0|0,0,2]=4 144 B7R0.4 CCC\C=C\C(=O)O HY-W010531 [1,1,0,0,0,0|0,0,2]=4 145 B7R0.4 CC\C=C\CC(=O)O HY-W010532 [1,1,0,0,0,0|0,0,1]=3 146 B7R0.4 C\C=C\C=C\C(=O)O HY-N0626 [1,1,0,0,0,0|0,0,2]=4 147 B7R0.4 C\C=C\C=C\C(=O)O HY-N0626R [1,1,0,0,0,0|0,0,2]=4 148 B7R0.4 NCCCCC(=O)O HY-W015878 [1,1,0,0,0,0|0,0,1]=3 149 B7R0.4 NCCOCC(=O)O HY-140643 [1,1,0,0,0,0|1,0,1]=4 150 B7R0.4 NCCOCC(=O)O HY-140644 [1,1,0,0,0,0|1,0,1]=4 151 B7R0.4 O=C(Cl)CCCCBr HY-43538 [1,1,0,0,0,0|1,0,1]=4 152 B7R0.4 O=C(O)CCCCBr HY-W016456 [1,1,0,0,0,0|0,0,1]=3 153 B7R0.4 O=C(O)COCCBr HY-130163 [1,1,0,0,0,0|1,0,1]=4 154 B7R0.4 O=C(O)COCCS HY-140730 [1,1,0,0,0,0|0,1,1]=4 155 B7R0.5 C#CCC(N)C(=O)O HY-W040124 [1,1,0,0,0,0|0,0,2]=4 156 B7R0.5 C=CCC(C)C(=O)O HY-W012922 [1,1,0,0,0,0|0,0,1]=3 157 B7R0.5 C=CC[C@H](N)C(=O)O HY-W015595 [1,1,0,0,0,0|0,0,1]=3 158 B7R0.5 CCCC(=O)C(=O)O HY-113098 [1,1,0,0,0,0|0,0,2]=4 159 B7R0.5 CCCC(C)C(=O)O HY-W010516 [1,1,0,0,0,0|0,0,1]=3 160 B7R0.5 CCCC(N)C(=O)O HY-W010510 [1,1,0,0,0,0|0,0,1]=3 161 B7R0.5 CCC[C@@H](N)C(=O)O HY-41309 [1,1,0,0,0,0|0,0,1]=3 162 B7R0.5 CCC[C@H](N)C(=O)O HY-Y0399 [1,1,0,0,0,0|0,0,1]=3 163 B7R0.5 CNC[C@H](N)C(=O)O HY-W015546 [1,1,0,0,0,0|1,0,0]=3 164 B7R0.5 CSC[C@H](N)C(=O)O HY-B2188 [1,1,0,0,0,0|1,0,0]=3 165 B7R0.5 C[Se]C[C@H](N)C(=O)O HY-114245 [1,1,0,0,0,0|1,0,0]=3 166 B7R0.5 N#CC[C@H](N)C(=O)O HY-125773 [1,1,0,0,0,0|1,0,1]=4 167 B7R0.5 NC(CCO)C(=O)O HY-W012870 [1,1,0,0,0,0|0,0,2]=4 168 B7R0.5 NC(CCS)C(=O)O HY-W040821 [1,1,0,0,0,0|0,1,1]=4 169 B7R0.5 NCC[C@H](N)C(=O)O HY-101414 [1,1,0,0,0,0|1,0,1]=4 170 B7R0.5 NCC[C@H](N)C(=O)O HY-101414A [1,1,0,0,0,0|1,0,1]=4 171 B7R0.5 N[C@@H](CCO)C(=O)O HY-W002292 [1,1,0,0,0,0|0,0,2]=4 172 B7R0.5 N[C@@H](CCO)C(=O)O HY-W002292R [1,1,0,0,0,0|0,0,2]=4 173 B7R0.5 N[C@@H](CCS)C(=O)O HY-W010347 [1,1,0,0,0,0|0,1,1]=4 174 B7R0.5 N[C@@H](CCS)C(=O)O HY-W010347R [1,1,0,0,0,0|0,1,1]=4 175 B7R0.5 N[C@H](CCO)C(=O)O HY-W010499 [1,1,0,0,0,0|0,0,2]=4 176 B7R0.5 [C@@H](N)(CC=C)C(=O)O HY-W012907 [1,1,0,0,0,0|0,0,1]=3 177 B7R0.5 [C@H](N)(CCN)C(=O)O HY-W010018 [1,1,0,0,0,0|1,0,1]=4 178 B7R0.8 CNCCS(=O)(=O)O HY-W098348 [1,1,0,0,0,0|2,0,0]=4 179 B7R0.9 CC(C)(O)CC(=O)O HY-113409R [0,1,0,0,1,0|0,0,2]=4 180 B7R0.9 C[N+](C)(C)CC(=O)O HY-N0739 [0,1,0,0,1,0|2,0,0]=4 181 B7R0.9 O=C(O)CP(=O)(O)O HY-128744 [0,1,0,0,1,0|2,0,0]=4 182 B7R0.16 CC(C(=O)O)C(=O)O HY-103395 [0,1,0,0,1,0|1,0,0]=3 183 B7R0.16 CC(C)C(N)C(=O)O HY-W012889 [0,1,0,0,1,0|1,0,1]=4 184 B7R0.16 CC(C)C(O)C(=O)O HY-W008150 [0,1,0,0,1,0|1,0,1]=4 185 B7R0.16 CC(C)[C@@H](N)C(=O)O HY-N0717A [0,1,0,0,1,0|1,0,1]=4 186 B7R0.16 CC(C)[C@H](N)C(=O)O HY-N0717 [0,1,0,0,1,0|1,0,1]=4 187 B7R0.16 CC(C)[C@H](N)C(=O)O HY-N0717R [0,1,0,0,1,0|1,0,1]=4 188 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O HY-W001959 [0,1,0,0,1,0|0,0,2]=4 189 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O HY-N0658 [0,1,0,0,1,0|0,0,2]=4 190 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O HY-N0658A [0,1,0,0,1,0|0,0,2]=4 191 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O HY-N0658R [0,1,0,0,1,0|0,0,2]=4 192 B7R0.16 C[C@@H](O)[C@H]([15NH2])C(=O)O HY-N0658S [0,1,0,0,1,0|0,0,2]=4 193 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O HY-W012874 [0,1,0,0,1,0|0,0,2]=4 194 B7R0.16 NC(C(=O)O)C(=O)O HY-112052 [0,1,0,0,1,0|1,0,0]=3 195 B7R0.16 [C@@H](C)(O)[C@H](N)C(=O)O HY-W008315 [0,1,0,0,1,0|0,0,2]=4 196 B7R0.16 [C@@H](C)(O)[C@H](N)C(=O)O HY-W008315R [0,1,0,0,1,0|0,0,2]=4 197 B9R0.1 CN(CCCC(=O)O)N=O HY-W679891 [0,1,0,0,0,1|1,0,0]=3 198 B9R0.1 COC(=O)CCCC(=O)O HY-W017523 [0,1,0,0,0,1|0,0,0]=2 199 B9R0.7 CC(=O)OC[C@H](N)C(=O)O HY-101409 [0,1,0,0,0,1|0,0,0]=2 200 B9R0.7 CC(=O)OC[C@H](N)C(=O)O HY-101409A [0,1,0,0,0,1|0,0,0]=2 201 B9R0.7 CC(=O)OC[C@H](N)C(=O)O HY-101409R [0,1,0,0,0,1|0,0,0]=2 202 B9R0.7 CC(CCC(=O)O)C(=O)O HY-W017524 [0,1,0,0,0,1|1,0,0]=3 203 B9R0.7 CS(=O)CCC(N)C(=O)O HY-W010104A [0,1,0,0,0,1|1,0,0]=3 204 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O HY-129770 [0,1,0,0,0,1|1,0,0]=3 205 B9R0.7 C[C@H](NCC(=O)O)C(=O)O HY-W105634 [0,1,0,0,0,1|1,0,0]=3 206 B9R0.7 C[S+](C)CCC(N)C(=O)O HY-N6655 [0,1,0,0,0,1|2,0,0]=4 207 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O HY-N2551 [0,1,0,0,0,1|2,0,0]=4 208 B9R0.7 NC(=O)CCC(N)C(=O)O HY-B1346 [0,1,0,0,0,1|1,0,0]=3 209 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O HY-100587 [0,1,0,0,0,1|1,0,0]=3 210 B9R0.7 NC(=O)CC[C@H](N)C(=O)O HY-N0390 [0,1,0,0,0,1|1,0,0]=3 211 B9R0.7 NC(=O)CC[C@H](N)C(=O)O HY-N0390R [0,1,0,0,0,1|1,0,0]=3 212 B9R0.7 NC(=O)CC[C@H]([15NH2])C(=O)O HY-N0390S [0,1,0,0,0,1|1,0,0]=3 213 B9R0.7 NC(=O)NC[C@H](N)C(=O)O HY-121167 [0,1,0,0,0,1|1,0,0]=3 214 B9R0.7 NC(CCC(=O)O)C(=O)O HY-W010108 [0,1,0,0,0,1|1,0,0]=3 215 B9R0.7 NC(CCC(=O)O)C(=O)O HY-W041895 [0,1,0,0,0,1|1,0,0]=3 216 B9R0.7 N[13C@@H]([13CH2][13CH2][13C](=O)O)[13C](=O)O HY-14608S5 [0,1,0,0,0,1|1,0,0]=3 217 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O HY-112111 [0,1,0,0,0,1|1,0,0]=3 218 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O HY-14608 [0,1,0,0,0,1|1,0,0]=3 219 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O HY-14608R [0,1,0,0,0,1|1,0,0]=3 220 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O HY-W016319 [0,1,0,0,0,1|1,0,0]=3 221 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O HY-W419700 [0,1,0,0,0,1|1,0,0]=3 222 B9R0.7 N[C@@H](CCC(=O)O)[13C](=O)O HY-14608S1 [0,1,0,0,0,1|1,0,0]=3 223 B9R0.7 N[C@H](CCC(=O)O)C(=O)O HY-100805 [0,1,0,0,0,1|1,0,0]=3 224 B9R0.7 N[C@H](CCC(=O)O)C(=O)O HY-100805R [0,1,0,0,0,1|1,0,0]=3 225 B9R0.7 O=C(O)CCC(=O)C(=O)O HY-W013636 [0,1,0,0,0,1|1,0,0]=3 226 B9R0.7 O=C(O)CCC(=O)C(=O)O HY-W013636C [0,1,0,0,0,1|1,0,0]=3 227 B9R0.7 O=C(O)CCC(=O)C(=O)O HY-W013636R [0,1,0,0,0,1|1,0,0]=3 228 B9R0.7 O=C(O)CNC(=O)C(=O)O HY-12315 [0,1,0,0,0,1|1,0,1]=4 229 B9R0.7 O=C([O-])CCC(=O)C(=O)[O-] HY-W013636B [0,1,0,0,0,1|1,0,1]=4 230 B9R0.7 O=[13C](O)[13CH2][13CH2][13C](=O)[13C](=O)O HY-W013636S [0,1,0,0,0,1|1,0,0]=3 231 B9R0.7 [15NH2][C@@H](CCC(=O)O)C(=O)O HY-14608S2 [0,1,0,0,0,1|1,0,0]=3 232 B9R0.53 CC(CC(=O)O)CC(=O)O HY-113410 [0,1,0,0,0,1|1,0,0]=3 233 B9R0.53 CN(CC(=O)O)CC(=O)O HY-W007872 [0,1,0,0,0,1|1,0,0]=3 234 B9R0.53 C\C(=C/C(=O)O)CC(=O)O HY-139427 [0,1,0,0,0,1|1,0,1]=4 235 B9R0.53 O=C(O)CC(=O)CC(=O)O HY-W007752 [0,1,0,0,0,1|1,0,0]=3 236 B9R0.56 CC(=O)NCCS(=O)(=O)O HY-W587486 [0,1,0,0,0,1|1,0,0]=3 237 B9R0.56 C[N+](C)(C)CCCC(=O)O HY-113270A [0,1,0,0,0,1|2,0,0]=4 238 B9R0.56 O=C(O)CNCP(=O)(O)O HY-B0863 [0,1,0,0,0,1|2,0,0]=4 239 B9R0.56 O=C(O)CNCP(=O)(O)O HY-B0863R [0,1,0,0,0,1|2,0,0]=4 240 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O HY-W016424 [0,2,0,0,0,0|1,0,1]=4 241 B9R0.23 CN(CC(=O)O)C(=O)CN HY-W010276 [0,2,0,0,0,0|1,0,0]=3 242 B9R0.23 COC(=O)C(O)CC(C)C HY-22167 [0,2,0,0,0,0|1,0,1]=4 243 B9R0.23 COC(=O)[C@H](N)CC(C)C HY-W016425 [0,2,0,0,0,0|1,0,1]=4 244 B9R0.23 N[C@@H](CC(=O)O)C(=O)O[K] HY-N0666A [0,2,0,0,0,0|1,0,0]=3 245 B9R0.23 [C@H](N)(CC(C)C)C(=O)OC HY-W016427 [0,2,0,0,0,0|1,0,1]=4 246 B9R0.24 COC(=O)CCC(=O)CN HY-A0169A [0,2,0,0,0,0|0,0,0]=2 247 B9R0.24 COC(=O)CCC(=O)OC HY-Y0808 [0,2,0,0,0,0|0,0,0]=2 248 B9R0.24 COC(=O)\C=C\C(=O)OC HY-17363 [0,2,0,0,0,0|0,0,2]=4 249 B9R0.24 COC(=O)\C=C\C(=O)OC HY-17363R [0,2,0,0,0,0|0,0,2]=4 250 B9R0.24 O=C(CCC(=O)O[Na])O[Na] HY-W015410 [0,2,0,0,0,0|1,0,0]=3 251 B9R0.24 O=C(CCC(=O)O[Na])O[Na] HY-W094516 [0,2,0,0,0,0|1,0,0]=3 252 B9R0.42 C=C(CC(=O)OC)C(=O)O HY-W094214 [0,2,0,0,0,0|0,0,1]=3 253 B9R0.42 COC(=O)C[C@H](N)C(=O)O HY-Y1801 [0,2,0,0,0,0|0,0,0]=2 254 B9R0.42 N[C@@H](CC(=O)O[Na])C(=O)O HY-W140900 [0,2,0,0,0,0|1,0,0]=3 255 B9R0.42 OCC(=O)OC(C)C(=O)O HY-B2247 [0,2,0,0,0,0|1,0,0]=3 256 B9R0.48 CCCC(=O)NCC(=O)O HY-113119 [0,2,0,0,0,0|1,0,0]=3 257 B9R0.48 CCOC(=O)CNC(C)=O HY-W015651 [0,2,0,0,0,0|1,0,0]=3 258 B9R0.48 CCOC(=O)\C=C\C(=O)O HY-W019696 [0,2,0,0,0,0|0,0,2]=4 259 B9R0.11 CC(C)(CC(=O)O)C(=O)O HY-W015641 [0,2,0,0,0,0|1,0,0]=3 260 B9R0.11 CC(N)(CC(=O)O)C(=O)O HY-W142119 [0,2,0,0,0,0|1,0,0]=3 261 B9R0.11 CC(O)(CC(=O)[O-])C(=O)[O-] HY-23195 [0,2,0,0,0,0|1,0,1]=4 262 B9R0.39 CC(=O)NC(CO)C(=O)O HY-W142092 [0,2,0,0,0,0|1,0,0]=3 263 B9R0.39 CC(=O)N[C@@H](CO)C(=O)O HY-134222A [0,2,0,0,0,0|1,0,0]=3 264 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O HY-B0215 [0,2,0,0,0,0|1,0,0]=3 265 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O HY-B0215R [0,2,0,0,0,0|1,0,0]=3 266 B9R0.39 CNC(CC(=O)O)C(=O)O HY-W017500 [0,2,0,0,0,0|1,0,0]=3 267 B9R0.39 CN[C@H](CC(=O)O)C(=O)O HY-17551 [0,2,0,0,0,0|1,0,0]=3 268 B9R0.57 CC(C)(C)C[C@H](N)C(=O)O HY-79415 [0,2,0,0,0,0|1,0,1]=4 269 B9R0.57 NC(CP(=O)(O)O)C(=O)O HY-100786 [0,2,0,0,0,0|2,0,0]=4 270 B9R0.57 N[C@@H](CS(=O)(=O)O)C(=O)O HY-124009A [0,2,0,0,0,0|2,0,0]=4 271 B9R0.79 CC(C(=O)O)C(N)C(=O)O HY-W017501 [0,2,0,0,0,0|1,0,0]=3 272 B9R0.79 CC(O)[C@H](C)[C@H](N)C(=O)O HY-N6858 [0,2,0,0,0,0|0,0,2]=4 273 B9R0.79 C[C@H](O)[C@H](C)[C@H](N)C(=O)O HY-W010271 [0,2,0,0,0,0|0,0,2]=4 274 B9R0.79 O=C(O)C(Br)C(Br)C(=O)O HY-133681A [0,2,0,0,0,0|1,0,0]=3 275 B9R0.79 O=C(O)C(O)C(O)C(=O)O HY-N2436 [0,2,0,0,0,0|1,0,0]=3 276 B9R0.79 O=C(O)C(O)C(O)C(=O)O HY-N2436R [0,2,0,0,0,0|1,0,0]=3 277 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O HY-Y1134 [0,2,0,0,0,0|1,0,0]=3 278 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O HY-D0850 [0,2,0,0,0,0|1,0,0]=3 279 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O HY-Y1315 [0,2,0,0,0,0|1,0,0]=3 280 B9R0.79 O=C(O)[C@H](S)[C@H](S)C(=O)O HY-B1768 [0,2,0,0,0,0|1,0,0]=3 281 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)O HY-101036 [0,2,0,0,0,0|1,0,0]=3 282 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)O HY-101036R [0,2,0,0,0,0|1,0,0]=3 283 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)O HY-W127787 [0,2,0,0,0,0|1,0,0]=3 284 B7R1.2 CC1=CC(=O)CC1 HY-W013014 [1,0,0,1,0,0|1,0,0]=3 285 B7R1.2 CC1=CCC(=O)O1 HY-N0548 [1,0,0,1,0,0|0,0,1]=3 286 B7R1.2 CC1CCC(=O)O1 HY-W015938 [1,0,0,1,0,0|0,0,1]=3 287 B7R1.2 O=C1CCC(=O)C1 HY-75355 [1,0,0,1,0,0|0,0,0]=2 288 B7R1.2 O=C1CCC(=O)N1 HY-41877 [1,0,0,1,0,0|1,0,0]=3 289 B7R1.2 O=C1CCC(=O)O1 HY-79369 [1,0,0,1,0,0|0,0,0]=2 290 B7R1.2 O=C1CSC(=O)N1 HY-59272 [1,0,0,1,0,0|2,0,0]=4 291 B7R1.2 O=C1C[C@H](O)CN1 HY-W002597 [1,0,0,1,0,0|1,0,1]=4 292 B7R1.3 O=C1CCCCN1 HY-W042193 [1,0,0,1,0,0|1,0,1]=4 293 B7R1.3 O=C1CCCCO1 HY-W012997 [1,0,0,1,0,0|0,0,1]=3 294 B7R1.3 O=C1CCOCC1 HY-76487 [1,0,0,1,0,0|2,0,0]=4 295 B7R1.3 O=C1CCSCC1 HY-W002007 [1,0,0,1,0,0|2,0,0]=4 296 B7R1.18 O=C(O)C1CNC1 HY-Y0530 [1,0,0,1,0,0|1,0,0]=3 297 B7R1.18 O=C(O)[C@@H]1CCN1 HY-W050044 [1,0,0,1,0,0|1,0,1]=4 298 B7R1.18 O=C(O)[C@H]1CCN1 HY-W017755 [1,0,0,1,0,0|1,0,1]=4 299 B7R1.20 O=C(O)CC1CC1 HY-W010610 [1,0,0,1,0,0|0,0,1]=3 300 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 HY-W061761 [0,0,0,1,0,1|1,0,1]=4 301 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 HY-W044620 [0,0,0,1,0,1|1,0,1]=4 302 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 HY-40135 [0,0,0,1,0,1|0,0,2]=4 303 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 HY-40135R [0,0,0,1,0,1|0,0,2]=4 304 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 HY-40136 [0,0,0,1,0,1|0,0,2]=4 305 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 HY-W019213 [0,0,0,1,0,1|0,0,2]=4 306 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 HY-76104 [0,0,0,1,0,1|0,0,2]=4 307 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 HY-34666 [0,0,0,1,0,1|0,0,2]=4 308 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 HY-W003511 [0,0,0,1,0,1|0,0,2]=4 309 B9R1.35 O=C1CCC(C(=O)O)N1 HY-W012738 [0,0,0,1,0,1|1,0,0]=3 310 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 HY-76082 [0,0,0,1,0,1|1,0,0]=3 311 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 HY-76082R [0,0,0,1,0,1|1,0,0]=3 312 B9R1.35 O=C1CC[C@H](C(=O)O)N1 HY-W002304 [0,0,0,1,0,1|1,0,0]=3 313 B9R1.35 O=C1N[C@H](C(=O)O)CS1 HY-133105 [0,0,0,1,0,1|1,0,0]=3 314 B9R1.35 [C@H]1(O)CN[C@@H](C(=O)O)C1 HY-W008129 [0,0,0,1,0,1|0,0,2]=4 315 B9R1.66 CC1(O)CCOC(=O)C1 HY-107855 [0,0,0,1,0,1|1,0,1]=4 316 B9R1.66 C[C@@]1(O)CCOC(=O)C1 HY-135700 [0,0,0,1,0,1|1,0,1]=4 317 B9R1.161 O=C(O)[C@H]1O[C@H]1C(=O)O HY-125791 [0,0,0,1,0,1|1,0,0]=3 318 B9R1.10 CC1(O)CCC(=O)CC1 HY-W036733 [0,1,0,1,0,0|1,0,1]=4 319 B9R1.69 C[C@@H]1NC(=O)CNC1=O HY-75564 [0,1,0,1,0,0|2,0,0]=4 320 B9R1.112 [C@H](N)(CC1CC1)C(=O)O HY-W008028 [0,1,0,1,0,0|1,0,1]=4 321 B5R0.5 C=C(C)C(N)=O HY-W020027 [0,0,0,0,2,0|2,0,0]=4 322 B5R0.5 CC(=O)C(=O)O HY-Y0781 [0,0,0,0,2,0|0,0,0]=2 323 B5R0.5 CC(=O)C(=O)O HY-Y0781R [0,0,0,0,2,0|0,0,0]=2 324 B5R0.5 CC(=O)[13C](=O)O HY-Y0781S1 [0,0,0,0,2,0|0,0,0]=2 325 B5R0.5 CC(N)C(=O)O HY-N2362 [0,0,0,0,2,0|1,0,1]=4 326 B5R0.5 CC(O)C(=O)O HY-B1530 [0,0,0,0,2,0|0,0,2]=4 327 B5R0.5 CC(O)C(=O)O HY-B2227 [0,0,0,0,2,0|0,0,2]=4 328 B5R0.5 CC(O)C(=O)O HY-B2227D [0,0,0,0,2,0|0,0,2]=4 329 B5R0.5 CC(O)C(=O)O HY-B2227R [0,0,0,0,2,0|0,0,2]=4 330 B5R0.5 CC(O)C(=O)O HY-W250313 [0,0,0,0,2,0|0,0,2]=4 331 B5R0.5 C[C@H](N)C(=O)O HY-N0229 [0,0,0,0,2,0|1,0,1]=4 332 B5R0.5 C[C@H](N)C(=O)O HY-N0229R [0,0,0,0,2,0|1,0,1]=4 333 B5R0.5 C[C@H](O)C(=O)O HY-Y0479 [0,0,0,0,2,0|0,0,2]=4 334 B5R0.5 NC(=O)C(=O)O HY-W013032 [0,0,0,0,2,0|1,0,0]=3 335 B5R0.5 O=C(O)C(=O)O HY-W041831 [0,0,0,0,2,0|1,0,0]=3 336 B5R0.5 O=C(O)C(=O)O HY-Y0262 [0,0,0,0,2,0|1,0,0]=3 337 B5R0.5 O=C(O)C(=O)O HY-Y0262A [0,0,0,0,2,0|1,0,0]=3 338 B5R0.5 O=C(O)C(=O)O HY-Y1297 [0,0,0,0,2,0|1,0,0]=3 339 B9R0.55 CC(=O)NCCCC(=O)O HY-101411 [0,0,0,0,0,2|0,0,0]=2 340 B9R0.55 CC(C)CCCCC(=O)O HY-W101588 [0,0,0,0,0,2|1,0,1]=4 341 B9R0.55 N=C(N)NCCCC(=O)O HY-113286 [0,0,0,0,0,2|2,0,0]=4 342 B9R0.55 O=C(O)CCCCC(=O)O HY-B2186 [0,0,0,0,0,2|1,0,0]=3 343 B9R0.55 O=C(O)CCCCC(=O)O HY-W017522 [0,0,0,0,0,2|1,0,0]=3 344 B9R0.55 O=C(O)CCCCC(=O)O HY-W017522R [0,0,0,0,0,2|1,0,0]=3 345 B9R0.55 O=C(O)CCCC[13C](=O)O HY-W017522S3 [0,0,0,0,0,2|1,0,0]=3 346 B9R0.55 O=C(O)C\C=C\CC(=O)O HY-128426 [0,0,0,0,0,2|1,0,0]=3