0 B8R0.23 C=C(CC(=O)O)C(=O)O HY-Y0520 [0,0,0,0,0,0|1,0,1]=2 1 B8R0.23 C=C(CC(=O)O)C(=O)O HY-Y0520R [0,0,0,0,0,0|1,0,1]=2 2 B8R0.23 CC(=O)N[C@@H](C)C(=O)O HY-W004066 [0,0,0,0,0,0|3,0,0]=3 3 B8R0.23 CC(=O)N[C@@H](C)C(=O)O HY-W004066R [0,0,0,0,0,0|3,0,0]=3 4 B8R0.23 CC(C)CC(N)C(=O)O HY-B1674 [0,0,0,0,0,0|3,0,1]=4 5 B8R0.23 CC(C)CC(O)C(=O)O HY-30216A [0,0,0,0,0,0|2,0,1]=3 6 B8R0.23 CC(C)CC(O)C(=O)O HY-30216AR [0,0,0,0,0,0|2,0,1]=3 7 B8R0.23 CC(C)C[C@@H](N)C(=O)O HY-Y0378 [0,0,0,0,0,0|3,0,1]=4 8 B8R0.23 CC(C)C[C@H](N)C(=O)O HY-N0486 [0,0,0,0,0,0|3,0,1]=4 9 B8R0.23 CC(C)C[C@H](N)C(=O)O HY-N0486R [0,0,0,0,0,0|3,0,1]=4 10 B8R0.23 CC(C)C[C@H](N)[13C](=O)O HY-N0486S1 [0,0,0,0,0,0|3,0,1]=4 11 B8R0.23 CC(C)C[C@H](O)C(=O)O HY-30215 [0,0,0,0,0,0|2,0,1]=3 12 B8R0.23 CC(C)C[C@H](O)C(=O)O HY-30215R [0,0,0,0,0,0|2,0,1]=3 13 B8R0.23 CC(C)C[C@H]([15NH2])[13C](=O)O HY-N0486S7 [0,0,0,0,0,0|3,0,1]=4 14 B8R0.23 CC(CC(=O)O)C(=O)O HY-W010381 [0,0,0,0,0,0|1,0,0]=1 15 B8R0.23 CN(CC(=O)O)C(=N)N HY-W010388 [0,0,0,0,0,0|4,0,0]=4 16 B8R0.23 CN(CC(=O)O)C(=N)N HY-W010388R [0,0,0,0,0,0|4,0,0]=4 17 B8R0.23 CN(CC(=O)O)C(=N)N HY-W017462 [0,0,0,0,0,0|4,0,0]=4 18 B8R0.23 CS(=O)C[C@H](N)C(=O)O HY-W017404 [0,0,0,0,0,0|3,0,0]=3 19 B8R0.23 C\C(=C/C(=O)O)C(=O)O HY-78036 [0,0,0,0,0,0|1,0,2]=3 20 B8R0.23 C\C(=C\C(=O)O)C(=O)O HY-113298 [0,0,0,0,0,0|1,0,2]=3 21 B8R0.23 NC(=O)CC(N)C(=O)O HY-W017442 [0,0,0,0,0,0|2,0,0]=2 22 B8R0.23 NC(=O)C[C@@H](N)C(=O)O HY-W010378 [0,0,0,0,0,0|2,0,0]=2 23 B8R0.23 NC(=O)C[C@H](N)C(=O)O HY-N0667R [0,0,0,0,0,0|2,0,0]=2 24 B8R0.23 NC(=O)C[C@H](N)C(=O)O HY-W017443 [0,0,0,0,0,0|2,0,0]=2 25 B8R0.23 NC(CC(=O)O)C(=O)O HY-W015824 [0,0,0,0,0,0|1,0,0]=1 26 B8R0.23 N[C@@H](CC(=O)O)C(=O)O HY-N0666R [0,0,0,0,0,0|1,0,0]=1 27 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] HY-N0666C [0,0,0,0,0,0|1,0,1]=2 28 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] HY-N0666B [0,0,0,0,0,0|1,0,2]=3 29 B8R0.23 N[C@@H](CS(=O)O)C(=O)O HY-100804 [0,0,0,0,0,0|2,0,0]=2 30 B8R0.23 N[C@@H](CS(=O)O)C(=O)O HY-W017230 [0,0,0,0,0,0|2,0,0]=2 31 B8R0.23 O=C(O)CC(=O)C(=O)O HY-W010382 [0,0,0,0,0,0|0,0,2]=2 32 B8R0.23 O=C(O)CC(=O)C(=O)O HY-W010382R [0,0,0,0,0,0|0,0,2]=2 33 B8R0.23 O=C(O)CC(O)C(=O)O HY-Y1311 [0,0,0,0,0,0|0,0,0]=0 34 B8R0.23 O=C(O)CC(O)C(=O)O HY-Y1311R [0,0,0,0,0,0|0,0,0]=0 35 B8R0.23 O=C(O)CC(S)C(=O)O HY-106381 [0,0,0,0,0,0|0,1,0]=1 36 B8R0.23 O=C(O)C[C@@H](O)C(=O)O HY-20558 [0,0,0,0,0,0|0,0,0]=0 37 B8R0.23 O=C(O)C[C@@H](O)C(=O)O HY-20558R [0,0,0,0,0,0|0,0,0]=0 38 B8R0.23 O=C(O)C[C@H](O)C(=O)O HY-Y1069 [0,0,0,0,0,0|0,0,0]=0 39 B8R0.23 [15NH2]C(=O)C[C@H]([15NH2])C(=O)O HY-N0667S2 [0,0,0,0,0,0|2,0,0]=2 40 B8R0.23 [15NH2][13C@@H]([13CH2][13C](=O)O)[13C](=O)O HY-N0666S1 [0,0,0,0,0,0|1,0,0]=1 41 B7R0.2 CCC(C)CC(=O)O HY-W010513 [1,0,0,0,0,0|2,0,1]=4 42 B7R0.2 CCC(C)CC(=O)O HY-W010513R [1,0,0,0,0,0|2,0,1]=4 43 B7R0.2 CCC(O)CC(=O)O HY-113004 [1,0,0,0,0,0|1,0,1]=3 44 B7R0.2 CN(CC(=O)O)N=O HY-W188178 [1,0,0,0,0,0|3,0,0]=4 45 B7R0.2 NCC(O)CC(=O)O HY-B1427 [1,0,0,0,0,0|1,0,1]=3 46 B7R0.2 N[C@@H](CO)CC(=O)O HY-W006063 [1,0,0,0,0,0|1,0,1]=3 47 B7R0.5 C#CCC(N)C(=O)O HY-W040124 [1,0,0,0,0,0|2,0,1]=4 48 B7R0.5 C=CCC(C)C(=O)O HY-W012922 [1,0,0,0,0,0|2,0,0]=3 49 B7R0.5 C=CC[C@H](N)C(=O)O HY-W015595 [1,0,0,0,0,0|2,0,0]=3 50 B7R0.5 CCCC(C)C(=O)O HY-W010516 [1,0,0,0,0,0|2,0,1]=4 51 B7R0.5 CCCC(N)C(=O)O HY-W010510 [1,0,0,0,0,0|2,0,1]=4 52 B7R0.5 CCC[C@@H](N)C(=O)O HY-41309 [1,0,0,0,0,0|2,0,1]=4 53 B7R0.5 CCC[C@H](N)C(=O)O HY-Y0399 [1,0,0,0,0,0|2,0,1]=4 54 B7R0.5 CNC[C@H](N)C(=O)O HY-W015546 [1,0,0,0,0,0|3,0,0]=4 55 B7R0.5 CSC[C@H](N)C(=O)O HY-B2188 [1,0,0,0,0,0|3,0,0]=4 56 B7R0.5 C[Se]C[C@H](N)C(=O)O HY-114245 [1,0,0,0,0,0|3,0,0]=4 57 B7R0.5 N#CC[C@H](N)C(=O)O HY-125773 [1,0,0,0,0,0|2,0,1]=4 58 B7R0.5 NC(CCO)C(=O)O HY-W012870 [1,0,0,0,0,0|1,0,1]=3 59 B7R0.5 NC(CCS)C(=O)O HY-W040821 [1,0,0,0,0,0|1,1,1]=4 60 B7R0.5 NCC[C@H](N)C(=O)O HY-101414 [1,0,0,0,0,0|2,0,1]=4 61 B7R0.5 NCC[C@H](N)C(=O)O HY-101414A [1,0,0,0,0,0|2,0,1]=4 62 B7R0.5 N[C@@H](CCO)C(=O)O HY-W002292 [1,0,0,0,0,0|1,0,1]=3 63 B7R0.5 N[C@@H](CCO)C(=O)O HY-W002292R [1,0,0,0,0,0|1,0,1]=3 64 B7R0.5 N[C@@H](CCS)C(=O)O HY-W010347 [1,0,0,0,0,0|1,1,1]=4 65 B7R0.5 N[C@@H](CCS)C(=O)O HY-W010347R [1,0,0,0,0,0|1,1,1]=4 66 B7R0.5 N[C@H](CCO)C(=O)O HY-W010499 [1,0,0,0,0,0|1,0,1]=3 67 B7R0.5 [C@@H](N)(CC=C)C(=O)O HY-W012907 [1,0,0,0,0,0|2,0,0]=3 68 B7R0.5 [C@H](N)(CCN)C(=O)O HY-W010018 [1,0,0,0,0,0|2,0,1]=4 69 B7R0.6 C(C(=O)O)=CC(=O)O HY-W015883 [1,0,0,0,0,0|0,0,2]=3 70 B7R0.6 CC(=O)CCC(=O)O HY-Y0839 [1,0,0,0,0,0|1,0,0]=2 71 B7R0.6 CC(=O)NCC(=O)O HY-Y0069 [1,0,0,0,0,0|2,0,0]=3 72 B7R0.6 CC(C)CCC(=O)O HY-W015882 [1,0,0,0,0,0|2,0,1]=4 73 B7R0.6 CC(C)CCC(=O)O HY-W015882R [1,0,0,0,0,0|2,0,1]=4 74 B7R0.6 N=C(N)NCC(=O)O HY-W021448 [1,0,0,0,0,0|3,0,0]=4 75 B7R0.6 NC(=O)\C=C/C(=O)O HY-128750 [1,0,0,0,0,0|1,0,2]=4 76 B7R0.6 O=C(O)C#CC(=O)O HY-W094710 [1,0,0,0,0,0|0,0,2]=3 77 B7R0.6 O=C(O)CCC(=O)O HY-N0420 [1,0,0,0,0,0|0,0,0]=1 78 B7R0.6 O=C(O)CCC(=O)O HY-N0420R [1,0,0,0,0,0|0,0,0]=1 79 B7R0.6 O=C(O)CC[N+](=O)[O-] HY-W012875 [1,0,0,0,0,0|1,0,1]=3 80 B7R0.6 O=C(O)\C=C/C(=O)O HY-Y0367 [1,0,0,0,0,0|0,0,2]=3 81 B7R0.6 O=C(O)\C=C\C(=O)O HY-107829 [1,0,0,0,0,0|0,0,2]=3 82 B7R0.6 O=C(O)\C=C\C(=O)O HY-W015883R [1,0,0,0,0,0|0,0,2]=3 83 B7R0.6 O=C([O-])CCC(=O)[O-] HY-W105775 [1,0,0,0,0,0|0,0,2]=3 84 B7R0.6 O=[13C](O)CC[13C](=O)O HY-N0420S3 [1,0,0,0,0,0|0,0,0]=1 85 B9R0.11 CC(C)(CC(=O)O)C(=O)O HY-W015641 [0,1,0,0,0,0|1,0,0]=2 86 B9R0.11 CC(N)(CC(=O)O)C(=O)O HY-W142119 [0,1,0,0,0,0|1,0,0]=2 87 B9R0.11 CC(O)(CC(=O)[O-])C(=O)[O-] HY-23195 [0,1,0,0,0,0|0,0,2]=3 88 B9R0.23 CN(CC(=O)O)C(=O)CN HY-W010276 [0,1,0,0,0,0|3,0,0]=4 89 B9R0.23 COC(=O)C(O)CC(C)C HY-22167 [0,1,0,0,0,0|2,0,1]=4 90 B9R0.23 N[C@@H](CC(=O)O)C(=O)O[K] HY-N0666A [0,1,0,0,0,0|1,0,0]=2 91 B9R0.39 CC(=O)NC(CO)C(=O)O HY-W142092 [0,1,0,0,0,0|2,0,0]=3 92 B9R0.39 CC(=O)N[C@@H](CO)C(=O)O HY-134222A [0,1,0,0,0,0|2,0,0]=3 93 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O HY-B0215 [0,1,0,0,0,0|2,1,0]=4 94 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O HY-B0215R [0,1,0,0,0,0|2,1,0]=4 95 B9R0.39 CNC(CC(=O)O)C(=O)O HY-W017500 [0,1,0,0,0,0|1,0,0]=2 96 B9R0.39 CN[C@H](CC(=O)O)C(=O)O HY-17551 [0,1,0,0,0,0|1,0,0]=2 97 B9R0.42 C=C(CC(=O)OC)C(=O)O HY-W094214 [0,1,0,0,0,0|1,0,1]=3 98 B9R0.42 COC(=O)C[C@H](N)C(=O)O HY-Y1801 [0,1,0,0,0,0|1,0,0]=2 99 B9R0.42 N[C@@H](CC(=O)O[Na])C(=O)O HY-W140900 [0,1,0,0,0,0|1,0,0]=2 100 B9R0.42 OCC(=O)OC(C)C(=O)O HY-B2247 [0,1,0,0,0,0|2,0,0]=3 101 B9R0.57 NC(CP(=O)(O)O)C(=O)O HY-100786 [0,1,0,0,0,0|2,0,0]=3 102 B9R0.57 N[C@@H](CS(=O)(=O)O)C(=O)O HY-124009A [0,1,0,0,0,0|2,0,0]=3 103 B9R0.79 CC(C(=O)O)C(N)C(=O)O HY-W017501 [0,1,0,0,0,0|1,0,0]=2 104 B9R0.79 CC(O)[C@H](C)[C@H](N)C(=O)O HY-N6858 [0,1,0,0,0,0|2,0,1]=4 105 B9R0.79 C[C@H](O)[C@H](C)[C@H](N)C(=O)O HY-W010271 [0,1,0,0,0,0|2,0,1]=4 106 B9R0.79 O=C(O)C(Br)C(Br)C(=O)O HY-133681A [0,1,0,0,0,0|1,0,0]=2 107 B9R0.79 O=C(O)C(O)C(O)C(=O)O HY-N2436 [0,1,0,0,0,0|0,0,0]=1 108 B9R0.79 O=C(O)C(O)C(O)C(=O)O HY-N2436R [0,1,0,0,0,0|0,0,0]=1 109 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O HY-Y1134 [0,1,0,0,0,0|0,0,0]=1 110 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O HY-D0850 [0,1,0,0,0,0|0,0,0]=1 111 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O HY-Y1315 [0,1,0,0,0,0|0,0,0]=1 112 B9R0.79 O=C(O)[C@H](S)[C@H](S)C(=O)O HY-B1768 [0,1,0,0,0,0|0,1,0]=2 113 B9R0.79 O=C(O)\C(O)=C(/O)C(=O)O HY-128734 [0,1,0,0,0,0|0,0,2]=3 114 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)O HY-101036 [0,1,0,0,0,0|0,0,1]=2 115 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)O HY-101036R [0,1,0,0,0,0|0,0,1]=2 116 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)O HY-W127787 [0,1,0,0,0,0|0,0,1]=2 117 B9R0.79 [2H]\C(C(=O)O)=C(\[2H])C(=O)O HY-W015883S3 [0,1,0,0,0,0|1,0,2]=4 118 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 HY-40135 [0,0,0,1,0,0|2,0,1]=4 119 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 HY-40135R [0,0,0,1,0,0|2,0,1]=4 120 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 HY-40136 [0,0,0,1,0,0|2,0,1]=4 121 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 HY-W019213 [0,0,0,1,0,0|2,0,1]=4 122 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 HY-76104 [0,0,0,1,0,0|2,0,1]=4 123 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 HY-34666 [0,0,0,1,0,0|2,0,1]=4 124 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 HY-W003511 [0,0,0,1,0,0|2,0,1]=4 125 B9R1.35 O=C1CCC(C(=O)O)N1 HY-W012738 [0,0,0,1,0,0|3,0,0]=4 126 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 HY-76082 [0,0,0,1,0,0|3,0,0]=4 127 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 HY-76082R [0,0,0,1,0,0|3,0,0]=4 128 B9R1.35 O=C1CC[C@H](C(=O)O)N1 HY-W002304 [0,0,0,1,0,0|3,0,0]=4 129 B9R1.35 O=C1N[C@H](C(=O)O)CS1 HY-133105 [0,0,0,1,0,0|2,1,0]=4 130 B9R1.35 [C@H]1(O)CN[C@@H](C(=O)O)C1 HY-W008129 [0,0,0,1,0,0|2,0,1]=4 131 B9R1.161 O=C(O)[C@H]1O[C@H]1C(=O)O HY-125791 [0,0,0,1,0,0|0,0,0]=1 132 B7R0.16 CC(C(=O)O)C(=O)O HY-103395 [0,0,0,0,1,0|1,0,0]=2 133 B7R0.16 CC(C)C(O)C(=O)O HY-W008150 [0,0,0,0,1,0|2,0,1]=4 134 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O HY-W001959 [0,0,0,0,1,0|2,0,1]=4 135 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O HY-N0658 [0,0,0,0,1,0|2,0,1]=4 136 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O HY-N0658A [0,0,0,0,1,0|2,0,1]=4 137 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O HY-N0658R [0,0,0,0,1,0|2,0,1]=4 138 B7R0.16 C[C@@H](O)[C@H]([15NH2])C(=O)O HY-N0658S [0,0,0,0,1,0|2,0,1]=4 139 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O HY-W012874 [0,0,0,0,1,0|2,0,1]=4 140 B7R0.16 NC(C(=O)O)C(=O)O HY-112052 [0,0,0,0,1,0|1,0,0]=2 141 B7R0.16 [C@@H](C)(O)[C@H](N)C(=O)O HY-W008315 [0,0,0,0,1,0|2,0,1]=4 142 B7R0.16 [C@@H](C)(O)[C@H](N)C(=O)O HY-W008315R [0,0,0,0,1,0|2,0,1]=4 143 B9R0.7 CC(=O)OC[C@H](N)C(=O)O HY-101409 [0,0,0,0,0,1|2,0,0]=3 144 B9R0.7 CC(=O)OC[C@H](N)C(=O)O HY-101409A [0,0,0,0,0,1|2,0,0]=3 145 B9R0.7 CC(=O)OC[C@H](N)C(=O)O HY-101409R [0,0,0,0,0,1|2,0,0]=3 146 B9R0.7 CC(CCC(=O)O)C(=O)O HY-W017524 [0,0,0,0,0,1|1,0,0]=2 147 B9R0.7 CS(=O)CCC(N)C(=O)O HY-W010104A [0,0,0,0,0,1|3,0,0]=4 148 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O HY-129770 [0,0,0,0,0,1|3,0,0]=4 149 B9R0.7 C[C@H](NCC(=O)O)C(=O)O HY-W105634 [0,0,0,0,0,1|1,0,0]=2 150 B9R0.7 NC(=O)CCC(N)C(=O)O HY-B1346 [0,0,0,0,0,1|2,0,0]=3 151 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O HY-100587 [0,0,0,0,0,1|2,0,0]=3 152 B9R0.7 NC(=O)CC[C@H](N)C(=O)O HY-N0390 [0,0,0,0,0,1|2,0,0]=3 153 B9R0.7 NC(=O)CC[C@H](N)C(=O)O HY-N0390R [0,0,0,0,0,1|2,0,0]=3 154 B9R0.7 NC(=O)CC[C@H]([15NH2])C(=O)O HY-N0390S [0,0,0,0,0,1|2,0,0]=3 155 B9R0.7 NC(=O)NC[C@H](N)C(=O)O HY-121167 [0,0,0,0,0,1|2,0,0]=3 156 B9R0.7 NC(CCC(=O)O)C(=O)O HY-W010108 [0,0,0,0,0,1|1,0,0]=2 157 B9R0.7 NC(CCC(=O)O)C(=O)O HY-W041895 [0,0,0,0,0,1|1,0,0]=2 158 B9R0.7 N[13C@@H]([13CH2][13CH2][13C](=O)O)[13C](=O)O HY-14608S5 [0,0,0,0,0,1|1,0,0]=2 159 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O HY-112111 [0,0,0,0,0,1|1,0,0]=2 160 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O HY-14608 [0,0,0,0,0,1|1,0,0]=2 161 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O HY-14608R [0,0,0,0,0,1|1,0,0]=2 162 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O HY-W016319 [0,0,0,0,0,1|1,0,0]=2 163 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O HY-W419700 [0,0,0,0,0,1|1,0,0]=2 164 B9R0.7 N[C@@H](CCC(=O)O)[13C](=O)O HY-14608S1 [0,0,0,0,0,1|1,0,0]=2 165 B9R0.7 N[C@H](CCC(=O)O)C(=O)O HY-100805 [0,0,0,0,0,1|1,0,0]=2 166 B9R0.7 N[C@H](CCC(=O)O)C(=O)O HY-100805R [0,0,0,0,0,1|1,0,0]=2 167 B9R0.7 O=C(O)CCC(=O)C(=O)O HY-W013636 [0,0,0,0,0,1|0,0,2]=3 168 B9R0.7 O=C(O)CCC(=O)C(=O)O HY-W013636C [0,0,0,0,0,1|0,0,2]=3 169 B9R0.7 O=C(O)CCC(=O)C(=O)O HY-W013636R [0,0,0,0,0,1|0,0,2]=3 170 B9R0.7 O=C(O)CNC(=O)C(=O)O HY-12315 [0,0,0,0,0,1|0,0,2]=3 171 B9R0.7 O=[13C](O)[13CH2][13CH2][13C](=O)[13C](=O)O HY-W013636S [0,0,0,0,0,1|0,0,2]=3 172 B9R0.7 [15NH2][C@@H](CCC(=O)O)C(=O)O HY-14608S2 [0,0,0,0,0,1|1,0,0]=2 173 B9R0.53 CC(CC(=O)O)CC(=O)O HY-113410 [0,0,0,0,0,1|1,0,0]=2 174 B9R0.53 CN(CC(=O)O)CC(=O)O HY-W007872 [0,0,0,0,0,1|2,0,0]=3 175 B9R0.53 C\C(=C/C(=O)O)CC(=O)O HY-139427 [0,0,0,0,0,1|1,0,1]=3 176 B9R0.53 O=C(O)CC(=O)CC(=O)O HY-W007752 [0,0,0,0,0,1|0,0,2]=3 177 B6R0.2 CC(C)CC(=O)O HY-W012980 [2,0,0,0,0,0|1,0,1]=4 178 B6R0.2 CC(C)C[13C](=O)O HY-W012980S1 [2,0,0,0,0,0|1,0,1]=4 179 B6R0.2 CC(N)CC(=O)O HY-W008833 [2,0,0,0,0,0|1,0,1]=4 180 B6R0.2 CC(O)CC(=O)O HY-113378 [2,0,0,0,0,0|0,0,1]=3 181 B6R0.2 C[C@@H](O)CC(=O)O HY-W051723 [2,0,0,0,0,0|0,0,1]=3 182 B6R0.2 C[C@H](N)CC(=O)O HY-W001210 [2,0,0,0,0,0|1,0,1]=4 183 B6R0.2 C[C@H](O)CC(=O)O HY-W050031 [2,0,0,0,0,0|0,0,1]=3 184 B6R0.2 O=C(O)[Ca]C(=O)O HY-Y0262D [2,0,0,0,0,0|1,0,1]=4 185 B6R0.2 O=C(O)[SnH2]C(=O)O HY-W105856 [2,0,0,0,0,0|1,0,1]=4 186 B6R0.4 C=CCCC(=O)O HY-Y0624 [2,0,0,0,0,0|1,0,0]=3 187 B6R0.4 CSCCC(=O)O HY-101401 [2,0,0,0,0,0|2,0,0]=4 188 B6R0.4 C\C=C\CC(=O)O HY-W088501 [2,0,0,0,0,0|1,0,1]=4 189 B6R0.4 NCCCC(=O)O HY-N0067 [2,0,0,0,0,0|1,0,1]=4 190 B6R0.4 NCCCC(=O)O HY-N0067R [2,0,0,0,0,0|1,0,1]=4 191 B6R0.4 O=CNCC(=O)O HY-128735 [2,0,0,0,0,0|1,0,0]=3 192 B6R0.3 CC(CBr)C(=O)O HY-W015332 [2,0,0,0,0,0|2,0,0]=4 193 B6R0.3 CC(CN)C(=O)O HY-W012974 [2,0,0,0,0,0|2,0,0]=4 194 B6R0.3 CC(CN)C(=O)O HY-W012974R [2,0,0,0,0,0|2,0,0]=4 195 B6R0.3 CC(CO)C(=O)O HY-113126 [2,0,0,0,0,0|1,0,0]=3 196 B6R0.3 CCC(N)C(=O)O HY-W010590 [2,0,0,0,0,0|1,0,1]=4 197 B6R0.3 CCC(O)C(=O)O HY-113381 [2,0,0,0,0,0|0,0,1]=3 198 B6R0.3 CC[C@@H](N)C(=O)O HY-Y0127 [2,0,0,0,0,0|1,0,1]=4 199 B6R0.3 CC[C@H](O)C(=O)O HY-W018499 [2,0,0,0,0,0|0,0,1]=3 200 B6R0.3 C[C@@H](CN)C(=O)O HY-113380 [2,0,0,0,0,0|2,0,0]=4 201 B6R0.3 C[C@@H](CN)C(=O)O HY-W023323 [2,0,0,0,0,0|2,0,0]=4 202 B6R0.3 NC(=O)[C@@H](N)CO HY-W008254 [2,0,0,0,0,0|2,0,0]=4 203 B6R0.3 NC(CO)C(=O)O HY-Y0507 [2,0,0,0,0,0|1,0,0]=3 204 B6R0.3 NC(CS)C(=O)O HY-W013651 [2,0,0,0,0,0|1,1,0]=4 205 B6R0.3 NC(CS)C(=O)O HY-W016716 [2,0,0,0,0,0|1,1,0]=4 206 B6R0.3 NCC(N)C(=O)O HY-W013674 [2,0,0,0,0,0|2,0,0]=4 207 B6R0.3 NC[C@@H](N)C(=O)O HY-W010312 [2,0,0,0,0,0|2,0,0]=4 208 B6R0.3 NC[C@H](N)C(=O)O HY-W013673 [2,0,0,0,0,0|2,0,0]=4 209 B6R0.3 N[13C@@H]([13CH2]O)[13C](=O)O HY-N0650S [2,0,0,0,0,0|1,0,0]=3 210 B6R0.3 N[C@@H](CCl)C(=O)O HY-107373 [2,0,0,0,0,0|2,0,0]=4 211 B6R0.3 N[C@@H](CO)C(=O)O HY-N0650 [2,0,0,0,0,0|1,0,0]=3 212 B6R0.3 N[C@@H](CO)C(=O)O HY-N0650R [2,0,0,0,0,0|1,0,0]=3 213 B6R0.3 N[C@@H](CO)[13C](=O)O HY-N0650S2 [2,0,0,0,0,0|1,0,0]=3 214 B6R0.3 N[C@@H](CS)C(=O)O HY-W016715 [2,0,0,0,0,0|1,1,0]=4 215 B6R0.3 N[C@@H](CS)C(=O)O HY-W016715R [2,0,0,0,0,0|1,1,0]=4 216 B6R0.3 N[C@@H](CS)C(=O)O HY-Y0337 [2,0,0,0,0,0|1,1,0]=4 217 B6R0.3 N[C@@H](CS)C(=O)O HY-Y0337A [2,0,0,0,0,0|1,1,0]=4 218 B6R0.3 N[C@@H](CS)C(=O)O HY-Y0337R [2,0,0,0,0,0|1,1,0]=4 219 B6R0.3 N[C@H](CCl)C(=O)O HY-W015457 [2,0,0,0,0,0|2,0,0]=4 220 B6R0.3 N[C@H](CO)C(=O)O HY-100808 [2,0,0,0,0,0|1,0,0]=3 221 B6R0.3 N[C@H](CS)C(=O)O HY-W002074 [2,0,0,0,0,0|1,1,0]=4 222 B6R0.3 N[C@H](CS)C(=O)O HY-W018555 [2,0,0,0,0,0|1,1,0]=4 223 B6R0.3 N[C@H](CS)C(=O)O HY-W055811 [2,0,0,0,0,0|1,1,0]=4 224 B6R0.3 O=C(O)C(O)CO HY-W018035 [2,0,0,0,0,0|0,0,0]=2 225 B6R0.3 [C@H](N)(CC)C(=O)O HY-W010589 [2,0,0,0,0,0|1,0,1]=4 226 B6R0.3 [C@H](O)(CN)C(=O)O HY-W012967 [2,0,0,0,0,0|1,0,0]=3 227 B8R0.2 O=C(O)[C@H](O)[C@@H](O)CO HY-134240 [1,1,0,0,0,0|0,0,1]=3 228 B8R0.2 O=C(O)[C@H](O)[C@@H](O)CO HY-W009208 [1,1,0,0,0,0|0,0,1]=3 229 B8R0.5 CCCC(O)CC(=O)O HY-113836 [1,1,0,0,0,0|1,0,1]=4 230 B8R0.3 O=CC[C@H](O)[C@H](O)CO HY-77956 [1,1,0,0,0,0|0,0,2]=4 231 B8R0.8 CCCCC(O)C(=O)O HY-75954 [1,1,0,0,0,0|1,0,1]=4 232 B8R0.8 CSCCC(O)C(=O)O HY-116688 [1,1,0,0,0,0|0,1,1]=4 233 B8R0.9 CCC(=O)NCC(=O)O HY-W587803 [1,1,0,0,0,0|2,0,0]=4 234 B8R0.9 COC(=O)CCC(C)=O HY-N3272 [1,1,0,0,0,0|1,0,0]=3 235 B8R0.9 COC(=O)\C=C\C(=O)O HY-103252 [1,1,0,0,0,0|0,0,2]=4 236 B8R0.9 NCC(=O)CCC(=O)O HY-N0305 [1,1,0,0,0,0|1,0,0]=3 237 B8R0.9 NCC(=O)CCC(=O)O HY-N0305R [1,1,0,0,0,0|1,0,0]=3 238 B8R0.9 NCC(=O)NCC(=O)O HY-D0889R [1,1,0,0,0,0|2,0,0]=4 239 B8R0.29 O=C(O)CCS(=O)(=O)O HY-W251779 [1,1,0,0,0,0|1,0,0]=3 240 B8R0.29 O=C(O)COP(=O)(O)O HY-138877A [1,1,0,0,0,0|2,0,0]=4 241 B8R0.18 CCC(C(=O)O)C(=O)O HY-34740 [0,1,0,0,1,0|1,0,0]=3 242 B8R0.37 CC(C)(C(=O)O)C(=O)O HY-W007894 [0,1,0,0,1,0|1,0,0]=3 243 B8R0.37 O=C([O-])C(O)(O)C(=O)[O-] HY-128740 [0,1,0,0,1,0|0,0,2]=4 244 B10R0.57 COC(=O)[C@@H](N)CCC(=O)O HY-W015425 [0,1,0,0,0,1|1,0,0]=3 245 B10R0.57 N[C@@H](CCC(=O)O)C(=O)O[Na] HY-W016145 [0,1,0,0,0,1|1,0,0]=3 246 B10R0.57 O=C(O)CCC(=O)C(=O)O[Na] HY-W013636A [0,1,0,0,0,1|0,0,2]=4 247 B10R0.82 COC(=O)CC[C@@H](N)C(=O)O HY-W042000 [0,1,0,0,0,1|1,0,0]=3 248 B10R0.82 COC(=O)CC[C@H](N)C(=O)O HY-W013678 [0,1,0,0,0,1|1,0,0]=3 249 B10R0.82 NC(CCC(=O)O[Na])C(=O)O HY-W250122 [0,1,0,0,0,1|1,0,0]=3 250 B10R0.82 N[C@@H](CCC(=O)NO)C(=O)O HY-137874 [0,1,0,0,0,1|1,0,0]=3 251 B10R0.82 N[C@@H](CCC(=O)O[K])C(=O)O HY-W141949 [0,1,0,0,0,1|1,0,0]=3 252 B10R0.82 N[C@@H](CCC(=O)O[K])C(=O)O HY-W337739 [0,1,0,0,0,1|1,0,0]=3 253 B10R0.82 N[C@@H](CCC(=O)O[Na])C(=O)O HY-14608A [0,1,0,0,0,1|1,0,0]=3 254 B10R0.84 CNC(CCC(=O)O)C(=O)O HY-W015424 [0,1,0,0,0,1|1,0,0]=3 255 B10R0.92 CP(=O)(O)CCC(N)C(=O)O HY-W019870 [0,1,0,0,0,1|2,0,0]=4 256 B10R0.92 NC(CCP(=O)(O)O)C(=O)O HY-100743 [0,1,0,0,0,1|2,0,0]=4 257 B10R0.92 NC(CCS(=O)(=O)O)C(=O)O HY-W016342 [0,1,0,0,0,1|2,0,0]=4 258 B10R0.92 NC(COP(=O)(O)O)C(=O)O HY-15130 [0,1,0,0,0,1|2,0,0]=4 259 B10R0.92 NC(COP(=O)(O)O)C(=O)O HY-15130R [0,1,0,0,0,1|2,0,0]=4 260 B10R0.92 N[C@@H](CCS(=O)(=O)O)C(=O)O HY-138903 [0,1,0,0,0,1|2,0,0]=4 261 B10R0.92 N[C@@H](COP(=O)(O)O)C(=O)O HY-15129 [0,1,0,0,0,1|2,0,0]=4 262 B10R0.92 N[C@@H](COP(=O)(O)O)C(=O)O HY-15129R [0,1,0,0,0,1|2,0,0]=4 263 B10R0.165 CC(C)(CC(=O)O)CC(=O)O HY-W008097 [0,1,0,0,0,1|1,0,0]=3 264 B10R0.165 CC(O)(CC(=O)O)CC(=O)O HY-B1189 [0,1,0,0,0,1|0,0,0]=2 265 B10R0.46 C=C(CC(=O)OC)C(=O)OC HY-W041892 [0,2,0,0,0,0|1,0,1]=4 266 B10R0.46 COC(=O)CC(N)C(=O)OC HY-W067478 [0,2,0,0,0,0|1,0,0]=3 267 B10R0.46 N[C@@H](CC(=O)O[Na])C(=O)O[Na] HY-N0666D [0,2,0,0,0,0|1,0,0]=3 268 B10R0.46 O=C(CC(O)C(=O)O[Na])O[Na] HY-W250303 [0,2,0,0,0,0|0,0,0]=2 269 B10R0.46 O=C(CC(O)C(=O)O[Na])O[Na] HY-W250303A [0,2,0,0,0,0|0,0,0]=2 270 B10R0.46 [C@H](N)(CC(=O)OC)C(=O)OC HY-W009840 [0,2,0,0,0,0|1,0,0]=3 271 B10R0.26 C=C(CC(=O)OCC)C(=O)O HY-W076778 [0,2,0,0,0,0|1,0,1]=4 272 B8R1.18 CC1CC(=O)OC1=O HY-Z0059 [1,0,0,1,0,0|1,0,0]=3 273 B8R1.7 O=C(O)[C@H]1CCCO1 HY-W005223 [1,0,0,1,0,0|1,0,1]=4 274 B8R1.3 O=C1CCC(=O)CC1 HY-W010554 [1,0,0,1,0,0|2,0,0]=4 275 B8R1.50 O=C1OCC(O)[C@@H]1O HY-W357137 [0,0,0,1,1,0|1,0,1]=4 276 B10R1.14 COC(=O)[C@@H]1CCC(=O)C1 HY-W057459 [0,1,0,1,0,0|2,0,0]=4 277 B10R1.14 COC(=O)[C@@H]1COC(=O)N1 HY-Z0425 [0,1,0,1,0,0|2,0,0]=4 278 B8R0.28 CC(=O)CCCC(=O)O HY-W001957 [1,0,0,0,0,1|1,0,0]=3 279 B8R0.28 CC(=O)NCCC(=O)O HY-66007 [1,0,0,0,0,1|1,0,0]=3 280 B8R0.28 N=C(N)NCCC(=O)O HY-W015828 [1,0,0,0,0,1|2,0,0]=4 281 B8R0.28 NC(=O)NCCC(=O)O HY-113285 [1,0,0,0,0,1|1,0,0]=3 282 B8R0.28 O=C(O)CCCC(=O)O HY-W008820 [1,0,0,0,0,1|0,0,0]=2 283 B8R0.28 O=C(O)CCCC(=O)O HY-W008820R [1,0,0,0,0,1|0,0,0]=2 284 B8R0.28 O=C(O)CNCC(=O)O HY-W012683 [1,0,0,0,0,1|0,0,0]=2 285 B8R0.28 O=C(O)\C=C\CC(=O)O HY-W073501 [1,0,0,0,0,1|0,0,1]=3 286 B8R0.28 O=C(O)\C=C\CC(=O)O HY-W073501A [1,0,0,0,0,1|0,0,1]=3 287 B10R0.96 CC(CCC(=O)O)CC(=O)O HY-113277 [0,0,0,0,0,2|1,0,0]=3 288 B10R0.98 NC(CCCC(=O)O)C(=O)O HY-113328 [0,0,0,0,0,2|1,0,0]=3 289 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O HY-D0205A [0,0,0,0,0,2|1,0,0]=3 290 B10R0.98 O=C(O)CCCC(=O)C(=O)O HY-113227 [0,0,0,0,0,2|0,0,2]=4 291 B10R0.98 [C@H](N)(CCCC(=O)O)C(=O)O HY-W013665 [0,0,0,0,0,2|1,0,0]=3 292 B10R0.98 [C@H](N)(CCCC(=O)O)C(=O)O HY-W013665R [0,0,0,0,0,2|1,0,0]=3