0 B8R0.23 CC(=O)N[C@@H](C)C(=O)O HY-W004066 [0,0,0,0,0,0|3,0,1]=4 1 B8R0.23 CC(=O)N[C@@H](C)C(=O)O HY-W004066R [0,0,0,0,0,0|3,0,1]=4 2 B8R0.23 CC(C)CC(=O)C(=O)O HY-W012722 [0,0,0,0,0,0|1,0,1]=2 3 B8R0.23 CC(C)CC(=O)C(=O)O HY-W012722R [0,0,0,0,0,0|1,0,1]=2 4 B8R0.23 CC(C)CC(N)C(=O)O HY-B1674 [0,0,0,0,0,0|0,0,0]=0 5 B8R0.23 CC(C)CC(O)C(=O)O HY-30216A [0,0,0,0,0,0|1,0,0]=1 6 B8R0.23 CC(C)CC(O)C(=O)O HY-30216AR [0,0,0,0,0,0|1,0,0]=1 7 B8R0.23 CC(C)C[C@@H](N)C(=O)O HY-Y0378 [0,0,0,0,0,0|0,0,0]=0 8 B8R0.23 CC(C)C[C@H](N)C(=O)O HY-N0486 [0,0,0,0,0,0|0,0,0]=0 9 B8R0.23 CC(C)C[C@H](N)C(=O)O HY-N0486R [0,0,0,0,0,0|0,0,0]=0 10 B8R0.23 CC(C)C[C@H](N)C(N)=O HY-W088014 [0,0,0,0,0,0|1,0,0]=1 11 B8R0.23 CC(C)C[C@H](N)[13C](=O)O HY-N0486S1 [0,0,0,0,0,0|0,0,0]=0 12 B8R0.23 CC(C)C[C@H](O)C(=O)O HY-30215 [0,0,0,0,0,0|1,0,0]=1 13 B8R0.23 CC(C)C[C@H](O)C(=O)O HY-30215R [0,0,0,0,0,0|1,0,0]=1 14 B8R0.23 CC(C)C[C@H]([15NH2])[13C](=O)O HY-N0486S7 [0,0,0,0,0,0|0,0,0]=0 15 B8R0.23 CC(CC(=O)O)C(=O)O HY-W010381 [0,0,0,0,0,0|3,0,1]=4 16 B8R0.23 CS(=O)C[C@H](N)C(=O)O HY-W017404 [0,0,0,0,0,0|2,0,0]=2 17 B8R0.23 NC(=O)CC(N)C(=O)O HY-W017442 [0,0,0,0,0,0|2,0,1]=3 18 B8R0.23 NC(=O)C[C@@H](N)C(=O)O HY-W010378 [0,0,0,0,0,0|2,0,1]=3 19 B8R0.23 NC(=O)C[C@H](N)C(=O)O HY-N0667R [0,0,0,0,0,0|2,0,1]=3 20 B8R0.23 NC(=O)C[C@H](N)C(=O)O HY-W017443 [0,0,0,0,0,0|2,0,1]=3 21 B8R0.23 NC(CC(=O)O)C(=O)O HY-W015824 [0,0,0,0,0,0|2,0,1]=3 22 B8R0.23 N[C@@H](CC(=O)O)C(=O)O HY-N0666R [0,0,0,0,0,0|2,0,1]=3 23 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] HY-N0666C [0,0,0,0,0,0|2,0,2]=4 24 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] HY-N0666B [0,0,0,0,0,0|2,0,2]=4 25 B8R0.23 N[C@@H](CS(=O)O)C(=O)O HY-100804 [0,0,0,0,0,0|3,0,0]=3 26 B8R0.23 N[C@@H](CS(=O)O)C(=O)O HY-W017230 [0,0,0,0,0,0|3,0,0]=3 27 B8R0.23 O=C(O)CC(O)C(=O)O HY-Y1311 [0,0,0,0,0,0|3,0,1]=4 28 B8R0.23 O=C(O)CC(O)C(=O)O HY-Y1311R [0,0,0,0,0,0|3,0,1]=4 29 B8R0.23 O=C(O)CC(S)C(=O)O HY-106381 [0,0,0,0,0,0|3,0,1]=4 30 B8R0.23 O=C(O)C[C@@H](O)C(=O)O HY-20558 [0,0,0,0,0,0|3,0,1]=4 31 B8R0.23 O=C(O)C[C@@H](O)C(=O)O HY-20558R [0,0,0,0,0,0|3,0,1]=4 32 B8R0.23 O=C(O)C[C@H](O)C(=O)O HY-Y1069 [0,0,0,0,0,0|3,0,1]=4 33 B8R0.23 [15NH2]C(=O)C[C@H]([15NH2])C(=O)O HY-N0667S2 [0,0,0,0,0,0|2,0,1]=3 34 B8R0.23 [15NH2][13C@@H]([13CH2][13C](=O)O)[13C](=O)O HY-N0666S1 [0,0,0,0,0,0|2,0,1]=3 35 B7R0.2 [C@H](N)(CO)CC(C)C HY-W012888 [1,0,0,0,0,0|0,0,1]=2 36 B7R0.5 C#CCC(N)C(=O)O HY-W040124 [1,0,0,0,0,0|0,0,2]=3 37 B7R0.5 C=CCC(C)C(=O)O HY-W012922 [1,0,0,0,0,0|1,0,2]=4 38 B7R0.5 C=CC[C@H](N)C(=O)O HY-W015595 [1,0,0,0,0,0|0,0,2]=3 39 B7R0.5 CCCC(=O)C(=O)O HY-113098 [1,0,0,0,0,0|1,0,1]=3 40 B7R0.5 CCCC(C)C(=O)O HY-W010516 [1,0,0,0,0,0|1,0,0]=2 41 B7R0.5 CCCC(N)C(=O)O HY-W010510 [1,0,0,0,0,0|0,0,0]=1 42 B7R0.5 CCC[C@@H](N)C(=O)O HY-41309 [1,0,0,0,0,0|0,0,0]=1 43 B7R0.5 CCC[C@H](N)C(=O)O HY-Y0399 [1,0,0,0,0,0|0,0,0]=1 44 B7R0.5 CC\C=C(/C)C(=O)O HY-W010533 [1,0,0,0,0,0|1,0,2]=4 45 B7R0.5 CNC[C@H](N)C(=O)O HY-W015546 [1,0,0,0,0,0|1,0,0]=2 46 B7R0.5 CSC[C@H](N)C(=O)O HY-B2188 [1,0,0,0,0,0|1,0,0]=2 47 B7R0.5 C[Se]C[C@H](N)C(=O)O HY-114245 [1,0,0,0,0,0|1,0,0]=2 48 B7R0.5 N#CC[C@H](N)C(=O)O HY-125773 [1,0,0,0,0,0|1,0,1]=3 49 B7R0.5 NC(CCO)C(=O)O HY-W012870 [1,0,0,0,0,0|1,0,0]=2 50 B7R0.5 NC(CCS)C(=O)O HY-W040821 [1,0,0,0,0,0|1,0,0]=2 51 B7R0.5 NCC[C@H](N)C(=O)O HY-101414 [1,0,0,0,0,0|1,0,0]=2 52 B7R0.5 NCC[C@H](N)C(=O)O HY-101414A [1,0,0,0,0,0|1,0,0]=2 53 B7R0.5 N[C@@H](CCO)C(=O)O HY-W002292 [1,0,0,0,0,0|1,0,0]=2 54 B7R0.5 N[C@@H](CCO)C(=O)O HY-W002292R [1,0,0,0,0,0|1,0,0]=2 55 B7R0.5 N[C@@H](CCS)C(=O)O HY-W010347 [1,0,0,0,0,0|1,0,0]=2 56 B7R0.5 N[C@@H](CCS)C(=O)O HY-W010347R [1,0,0,0,0,0|1,0,0]=2 57 B7R0.5 N[C@H](CCO)C(=O)O HY-W010499 [1,0,0,0,0,0|1,0,0]=2 58 B7R0.5 [C@@H](N)(CC=C)C(=O)O HY-W012907 [1,0,0,0,0,0|0,0,2]=3 59 B7R0.5 [C@H](N)(CCN)C(=O)O HY-W010018 [1,0,0,0,0,0|1,0,0]=2 60 B7R0.6 CC(=O)CCC(=O)O HY-Y0839 [1,0,0,0,0,0|1,0,1]=3 61 B7R0.6 CC(=O)NCC(=O)O HY-Y0069 [1,0,0,0,0,0|2,0,1]=4 62 B7R0.6 CC(C)CCC(=O)O HY-W015882 [1,0,0,0,0,0|0,0,0]=1 63 B7R0.6 CC(C)CCC(=O)O HY-W015882R [1,0,0,0,0,0|0,0,0]=1 64 B7R0.6 O=C(O)CCC(=O)O HY-N0420 [1,0,0,0,0,0|2,0,1]=4 65 B7R0.6 O=C(O)CCC(=O)O HY-N0420R [1,0,0,0,0,0|2,0,1]=4 66 B7R0.6 O=C(O)CC[N+](=O)[O-] HY-W012875 [1,0,0,0,0,0|3,0,0]=4 67 B7R0.6 O=[13C](O)CC[13C](=O)O HY-N0420S3 [1,0,0,0,0,0|2,0,1]=4 68 B9R0.11 CC(N)(CC(=O)O)C(=O)O HY-W142119 [0,1,0,0,0,0|2,0,1]=4 69 B9R0.23 CC(C)CC(=O)C(=O)O[Na] HY-W017387 [0,1,0,0,0,0|1,0,1]=3 70 B9R0.23 COC(=O)C(O)CC(C)C HY-22167 [0,1,0,0,0,0|1,0,0]=2 71 B9R0.23 COC(=O)[C@H](N)CC(C)C HY-W016425 [0,1,0,0,0,0|0,0,0]=1 72 B9R0.23 N[C@@H](CC(=O)O)C(=O)O[K] HY-N0666A [0,1,0,0,0,0|2,0,1]=4 73 B9R0.23 [C@H](N)(CC(C)C)C(=O)OC HY-W016427 [0,1,0,0,0,0|0,0,0]=1 74 B9R0.39 CNC(CC(=O)O)C(=O)O HY-W017500 [0,1,0,0,0,0|2,0,1]=4 75 B9R0.39 CN[C@H](CC(=O)O)C(=O)O HY-17551 [0,1,0,0,0,0|2,0,1]=4 76 B9R0.42 COC(=O)C[C@H](N)C(=O)O HY-Y1801 [0,1,0,0,0,0|1,0,1]=3 77 B9R0.42 N[C@@H](CC(=O)O[Na])C(=O)O HY-W140900 [0,1,0,0,0,0|2,0,1]=4 78 B9R0.57 CC(C)(C)C[C@H](N)C(=O)O HY-79415 [0,1,0,0,0,0|0,0,0]=1 79 B9R0.57 NC(CP(=O)(O)O)C(=O)O HY-100786 [0,1,0,0,0,0|3,0,0]=4 80 B9R0.57 N[C@@H](CS(=O)(=O)O)C(=O)O HY-124009A [0,1,0,0,0,0|3,0,0]=4 81 B9R0.79 CC(C(=O)O)C(N)C(=O)O HY-W017501 [0,1,0,0,0,0|2,0,1]=4 82 B9R0.79 CC(O)[C@H](C)[C@H](N)C(=O)O HY-N6858 [0,1,0,0,0,0|1,0,0]=2 83 B9R0.79 C[C@H](O)[C@H](C)[C@H](N)C(=O)O HY-W010271 [0,1,0,0,0,0|1,0,0]=2 84 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 HY-W061761 [0,0,0,1,0,0|2,0,0]=3 85 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 HY-W044620 [0,0,0,1,0,0|1,0,0]=2 86 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 HY-40135 [0,0,0,1,0,0|1,0,0]=2 87 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 HY-40135R [0,0,0,1,0,0|1,0,0]=2 88 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 HY-40136 [0,0,0,1,0,0|1,0,0]=2 89 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 HY-W019213 [0,0,0,1,0,0|1,0,0]=2 90 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 HY-76104 [0,0,0,1,0,0|1,0,0]=2 91 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 HY-34666 [0,0,0,1,0,0|1,0,0]=2 92 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 HY-W003511 [0,0,0,1,0,0|1,0,0]=2 93 B9R1.35 [C@H]1(O)CN[C@@H](C(=O)O)C1 HY-W008129 [0,0,0,1,0,0|1,0,0]=2 94 B9R1.69 CC1CN(C)CCC1=O HY-76718 [0,0,0,1,0,0|3,0,0]=4 95 B9R1.112 [C@H](N)(CC1CC1)C(=O)O HY-W008028 [0,0,0,1,0,0|0,0,0]=1 96 B7R0.16 CC(C)C(=O)C(=O)O HY-W006057 [0,0,0,0,1,0|1,0,1]=3 97 B7R0.16 CC(C)C(N)C(=O)O HY-W012889 [0,0,0,0,1,0|0,0,0]=1 98 B7R0.16 CC(C)C(O)C(=O)O HY-W008150 [0,0,0,0,1,0|1,0,0]=2 99 B7R0.16 CC(C)[C@@H](N)C(=O)O HY-N0717A [0,0,0,0,1,0|0,0,0]=1 100 B7R0.16 CC(C)[C@H](N)C(=O)O HY-N0717 [0,0,0,0,1,0|0,0,0]=1 101 B7R0.16 CC(C)[C@H](N)C(=O)O HY-N0717R [0,0,0,0,1,0|0,0,0]=1 102 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O HY-W001959 [0,0,0,0,1,0|1,0,0]=2 103 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O HY-N0658 [0,0,0,0,1,0|1,0,0]=2 104 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O HY-N0658A [0,0,0,0,1,0|1,0,0]=2 105 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O HY-N0658R [0,0,0,0,1,0|1,0,0]=2 106 B7R0.16 C[C@@H](O)[C@H]([15NH2])C(=O)O HY-N0658S [0,0,0,0,1,0|1,0,0]=2 107 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O HY-W012874 [0,0,0,0,1,0|1,0,0]=2 108 B7R0.16 NC(C(=O)O)C(=O)O HY-112052 [0,0,0,0,1,0|2,0,1]=4 109 B7R0.16 [C@@H](C)(O)[C@H](N)C(=O)O HY-W008315 [0,0,0,0,1,0|1,0,0]=2 110 B7R0.16 [C@@H](C)(O)[C@H](N)C(=O)O HY-W008315R [0,0,0,0,1,0|1,0,0]=2 111 B9R0.7 CC(=O)OC[C@H](N)C(=O)O HY-101409 [0,0,0,0,0,1|1,0,1]=3 112 B9R0.7 CC(=O)OC[C@H](N)C(=O)O HY-101409A [0,0,0,0,0,1|1,0,1]=3 113 B9R0.7 CC(=O)OC[C@H](N)C(=O)O HY-101409R [0,0,0,0,0,1|1,0,1]=3 114 B9R0.7 CS(=O)CCC(N)C(=O)O HY-W010104A [0,0,0,0,0,1|2,0,0]=3 115 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O HY-129770 [0,0,0,0,0,1|2,0,0]=3 116 B9R0.7 C[S+](C)CCC(N)C(=O)O HY-N6655 [0,0,0,0,0,1|1,0,0]=2 117 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O HY-N2551 [0,0,0,0,0,1|1,0,0]=2 118 B9R0.7 NC(=O)CCC(N)C(=O)O HY-B1346 [0,0,0,0,0,1|2,0,1]=4 119 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O HY-100587 [0,0,0,0,0,1|2,0,1]=4 120 B9R0.7 NC(=O)CC[C@H](N)C(=O)O HY-N0390 [0,0,0,0,0,1|2,0,1]=4 121 B9R0.7 NC(=O)CC[C@H](N)C(=O)O HY-N0390R [0,0,0,0,0,1|2,0,1]=4 122 B9R0.7 NC(=O)CC[C@H]([15NH2])C(=O)O HY-N0390S [0,0,0,0,0,1|2,0,1]=4 123 B9R0.7 NC(=O)NC[C@H](N)C(=O)O HY-121167 [0,0,0,0,0,1|2,0,1]=4 124 B9R0.7 NC(CCC(=O)O)C(=O)O HY-W010108 [0,0,0,0,0,1|2,0,1]=4 125 B9R0.7 NC(CCC(=O)O)C(=O)O HY-W041895 [0,0,0,0,0,1|2,0,1]=4 126 B9R0.7 N[13C@@H]([13CH2][13CH2][13C](=O)O)[13C](=O)O HY-14608S5 [0,0,0,0,0,1|2,0,1]=4 127 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O HY-112111 [0,0,0,0,0,1|2,0,1]=4 128 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O HY-14608 [0,0,0,0,0,1|2,0,1]=4 129 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O HY-14608R [0,0,0,0,0,1|2,0,1]=4 130 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O HY-W016319 [0,0,0,0,0,1|2,0,1]=4 131 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O HY-W419700 [0,0,0,0,0,1|2,0,1]=4 132 B9R0.7 N[C@@H](CCC(=O)O)[13C](=O)O HY-14608S1 [0,0,0,0,0,1|2,0,1]=4 133 B9R0.7 N[C@H](CCC(=O)O)C(=O)O HY-100805 [0,0,0,0,0,1|2,0,1]=4 134 B9R0.7 N[C@H](CCC(=O)O)C(=O)O HY-100805R [0,0,0,0,0,1|2,0,1]=4 135 B9R0.7 [15NH2][C@@H](CCC(=O)O)C(=O)O HY-14608S2 [0,0,0,0,0,1|2,0,1]=4 136 B6R0.2 CC(C)CB(O)O HY-W000978 [2,0,0,0,0,0|2,0,0]=4 137 B6R0.2 CC(C)CC(=O)O HY-W012980 [2,0,0,0,0,0|1,0,1]=4 138 B6R0.2 CC(C)CC(N)=O HY-B1229 [2,0,0,0,0,0|0,0,1]=3 139 B6R0.2 CC(C)C[13C](=O)O HY-W012980S1 [2,0,0,0,0,0|1,0,1]=4 140 B6R0.2 CC(N)CN(C)C HY-32007 [2,0,0,0,0,0|1,0,1]=4 141 B6R0.2 CC(N)CN(C)C HY-32007A [2,0,0,0,0,0|1,0,1]=4 142 B6R0.4 C=CCCC(=O)O HY-Y0624 [2,0,0,0,0,0|0,0,2]=4 143 B6R0.4 CC(C)CCCO HY-W007511 [2,0,0,0,0,0|0,0,1]=3 144 B6R0.4 CCCCB(O)O HY-W000932 [2,0,0,0,0,0|1,0,1]=4 145 B6R0.4 CCCCC(N)=O HY-W144037 [2,0,0,0,0,0|1,0,0]=3 146 B6R0.4 CCNCC(=O)O HY-W141879 [2,0,0,0,0,0|1,0,0]=3 147 B6R0.4 CCOCC(=O)O HY-W027555 [2,0,0,0,0,0|1,0,0]=3 148 B6R0.4 CC\C=C\C(=O)O HY-W061674 [2,0,0,0,0,0|0,0,2]=4 149 B6R0.4 CSCCC(=O)O HY-101401 [2,0,0,0,0,0|1,0,0]=3 150 B6R0.4 C\C=C\CC(=O)O HY-W088501 [2,0,0,0,0,0|0,0,2]=4 151 B6R0.4 NCCCC(=O)O HY-N0067 [2,0,0,0,0,0|1,0,0]=3 152 B6R0.4 NCCCC(=O)O HY-N0067R [2,0,0,0,0,0|1,0,0]=3 153 B6R0.3 CC(CBr)C(=O)O HY-W015332 [2,0,0,0,0,0|2,0,0]=4 154 B6R0.3 CC(CN)C(=O)O HY-W012974 [2,0,0,0,0,0|2,0,0]=4 155 B6R0.3 CC(CN)C(=O)O HY-W012974R [2,0,0,0,0,0|2,0,0]=4 156 B6R0.3 CC(CO)C(=O)O HY-113126 [2,0,0,0,0,0|2,0,0]=4 157 B6R0.3 CCC(=O)C(=O)O HY-W007926 [2,0,0,0,0,0|1,0,1]=4 158 B6R0.3 CCC(=O)C(=O)O HY-W007926R [2,0,0,0,0,0|1,0,1]=4 159 B6R0.3 CCC(N)C(=O)O HY-W010590 [2,0,0,0,0,0|0,0,0]=2 160 B6R0.3 CCC(O)C(=O)O HY-113381 [2,0,0,0,0,0|1,0,0]=3 161 B6R0.3 CC[C@@H](N)C(=O)O HY-Y0127 [2,0,0,0,0,0|0,0,0]=2 162 B6R0.3 CC[C@H](N)C(N)=O HY-79491 [2,0,0,0,0,0|1,0,0]=3 163 B6R0.3 CC[C@H](O)C(=O)O HY-W018499 [2,0,0,0,0,0|1,0,0]=3 164 B6R0.3 C[C@@H](CN)C(=O)O HY-113380 [2,0,0,0,0,0|2,0,0]=4 165 B6R0.3 C[C@@H](CN)C(=O)O HY-W023323 [2,0,0,0,0,0|2,0,0]=4 166 B6R0.3 NC(=O)[C@@H](N)CO HY-W008254 [2,0,0,0,0,0|2,0,0]=4 167 B6R0.3 NC(CO)C(=O)O HY-Y0507 [2,0,0,0,0,0|1,0,0]=3 168 B6R0.3 NC(CS)C(=O)O HY-W013651 [2,0,0,0,0,0|1,0,0]=3 169 B6R0.3 NC(CS)C(=O)O HY-W016716 [2,0,0,0,0,0|1,0,0]=3 170 B6R0.3 NCC(N)C(=O)O HY-W013674 [2,0,0,0,0,0|1,0,0]=3 171 B6R0.3 NC[C@@H](N)C(=O)O HY-W010312 [2,0,0,0,0,0|1,0,0]=3 172 B6R0.3 NC[C@H](N)C(=O)O HY-W013673 [2,0,0,0,0,0|1,0,0]=3 173 B6R0.3 N[13C@@H]([13CH2]O)[13C](=O)O HY-N0650S [2,0,0,0,0,0|1,0,0]=3 174 B6R0.3 N[C@@H](CCl)C(=O)O HY-107373 [2,0,0,0,0,0|1,0,0]=3 175 B6R0.3 N[C@@H](CO)C(=O)O HY-N0650 [2,0,0,0,0,0|1,0,0]=3 176 B6R0.3 N[C@@H](CO)C(=O)O HY-N0650R [2,0,0,0,0,0|1,0,0]=3 177 B6R0.3 N[C@@H](CO)[13C](=O)O HY-N0650S2 [2,0,0,0,0,0|1,0,0]=3 178 B6R0.3 N[C@@H](CS)C(=O)O HY-W016715 [2,0,0,0,0,0|1,0,0]=3 179 B6R0.3 N[C@@H](CS)C(=O)O HY-W016715R [2,0,0,0,0,0|1,0,0]=3 180 B6R0.3 N[C@@H](CS)C(=O)O HY-Y0337 [2,0,0,0,0,0|1,0,0]=3 181 B6R0.3 N[C@@H](CS)C(=O)O HY-Y0337A [2,0,0,0,0,0|1,0,0]=3 182 B6R0.3 N[C@@H](CS)C(=O)O HY-Y0337R [2,0,0,0,0,0|1,0,0]=3 183 B6R0.3 N[C@H](CCl)C(=O)O HY-W015457 [2,0,0,0,0,0|1,0,0]=3 184 B6R0.3 N[C@H](CO)C(=O)O HY-100808 [2,0,0,0,0,0|1,0,0]=3 185 B6R0.3 N[C@H](CS)C(=O)O HY-W002074 [2,0,0,0,0,0|1,0,0]=3 186 B6R0.3 N[C@H](CS)C(=O)O HY-W018555 [2,0,0,0,0,0|1,0,0]=3 187 B6R0.3 N[C@H](CS)C(=O)O HY-W055811 [2,0,0,0,0,0|1,0,0]=3 188 B6R0.3 O=C(O)C(O)CO HY-W018035 [2,0,0,0,0,0|2,0,0]=4 189 B6R0.3 [C@@H](C)(NC)C(=O)O HY-W015926 [2,0,0,0,0,0|2,0,0]=4 190 B6R0.3 [C@H](N)(CC)C(=O)O HY-W010589 [2,0,0,0,0,0|0,0,0]=2 191 B6R0.3 [C@H](O)(CN)C(=O)O HY-W012967 [2,0,0,0,0,0|2,0,0]=4 192 B8R0.3 CCCC(=O)C(=O)OC HY-W127546 [1,1,0,0,0,0|1,0,1]=4 193 B8R0.8 C#CCC[C@H](N)C(=O)O HY-140345 [1,1,0,0,0,0|0,0,1]=3 194 B8R0.8 CCCCC(C)C(=O)O HY-128371 [1,1,0,0,0,0|1,0,0]=3 195 B8R0.8 CCCCC(N)C(=O)O HY-W012709 [1,1,0,0,0,0|0,0,0]=2 196 B8R0.8 CCCCC(O)C(=O)O HY-75954 [1,1,0,0,0,0|1,0,0]=3 197 B8R0.8 CCCC[C@@H](N)C(=O)O HY-41912A [1,1,0,0,0,0|0,0,0]=2 198 B8R0.8 CCCC[C@H](N)C(=O)O HY-Y0017 [1,1,0,0,0,0|0,0,0]=2 199 B8R0.8 CSCCC(N)C(=O)O HY-N0325 [1,1,0,0,0,0|0,0,0]=2 200 B8R0.8 CSCCC(O)C(=O)O HY-116688 [1,1,0,0,0,0|1,0,0]=3 201 B8R0.8 CSCC[C@@H](N)C(=O)O HY-13694 [1,1,0,0,0,0|0,0,0]=2 202 B8R0.8 CSCC[C@H](N)C(=O)O HY-N0326 [1,1,0,0,0,0|0,0,0]=2 203 B8R0.8 CSCC[C@H](N)C(=O)O HY-N0326R [1,1,0,0,0,0|0,0,0]=2 204 B8R0.8 CSCC[C@H](N)C(N)=O HY-W016256 [1,1,0,0,0,0|1,0,0]=3 205 B8R0.8 CSCC[C@H](N)[13C](=O)O HY-N0326S4 [1,1,0,0,0,0|0,0,0]=2 206 B8R0.8 CSCC[C@H]([15NH2])C(=O)O HY-N0326S [1,1,0,0,0,0|0,0,0]=2 207 B8R0.8 C[Se]CCC(N)C(=O)O HY-B1000 [1,1,0,0,0,0|0,0,0]=2 208 B8R0.8 C[Se]CCC(N)C(=O)O HY-B1000R [1,1,0,0,0,0|0,0,0]=2 209 B8R0.8 C[Se]CC[C@H](N)C(=O)O HY-B1000A [1,1,0,0,0,0|0,0,0]=2 210 B8R0.8 NCCCC(N)C(=O)O HY-B1713A [1,1,0,0,0,0|0,0,0]=2 211 B8R0.8 NCCC[C@@H](N)C(=O)O HY-34516 [1,1,0,0,0,0|0,0,0]=2 212 B8R0.8 NCCC[C@H](N)C(=O)O HY-A0282 [1,1,0,0,0,0|0,0,0]=2 213 B8R0.8 NCCC[C@H](N)C(=O)O HY-B1352 [1,1,0,0,0,0|0,0,0]=2 214 B8R0.8 [C@H](N)(CCCN)C(=O)O HY-W017018 [1,1,0,0,0,0|0,0,0]=2 215 B8R0.8 [C@H](N)(CCCN)C(=O)O HY-W017018B [1,1,0,0,0,0|0,0,0]=2 216 B8R0.8 [C@H](N)(CCCN)C(=O)O HY-W017018R [1,1,0,0,0,0|0,0,0]=2 217 B8R0.8 [N-]=[N+]=NC[C@@H](N)C(=O)O HY-151642 [1,1,0,0,0,0|2,0,0]=4 218 B8R0.8 [N-]=[N+]=NC[C@@H](N)C(=O)O HY-151642A [1,1,0,0,0,0|2,0,0]=4 219 B8R0.8 [N-]=[N+]=NC[C@H](N)C(=O)O HY-W336328 [1,1,0,0,0,0|2,0,0]=4 220 B8R0.9 C#CC(N)CCC(=O)O HY-131693A [1,1,0,0,0,0|1,0,1]=4 221 B8R0.9 C=CC(N)CCC(=O)O HY-B0033 [1,1,0,0,0,0|1,0,1]=4 222 B8R0.9 COC(=O)CCC(C)=O HY-N3272 [1,1,0,0,0,0|1,0,1]=4 223 B8R0.9 NCC(=O)CCC(=O)O HY-N0305 [1,1,0,0,0,0|1,0,1]=4 224 B8R0.9 NCC(=O)CCC(=O)O HY-N0305R [1,1,0,0,0,0|1,0,1]=4 225 B8R0.29 CC(C)(C)NCC(=O)O HY-W040723 [1,1,0,0,0,0|1,0,0]=3 226 B8R0.18 CNC(C(=O)O)C(C)C HY-W142140A [0,1,0,0,1,0|0,0,0]=2 227 B8R0.18 CN[C@@H](C(=O)O)C(C)C HY-20561A [0,1,0,0,1,0|0,0,0]=2 228 B8R0.18 CN[C@H](C(=O)O)[C@@H](C)O HY-W010366 [0,1,0,0,1,0|1,0,0]=3 229 B8R0.27 CC(C)(C)C(N)C(=O)O HY-W002302 [0,1,0,0,1,0|0,0,0]=2 230 B8R0.27 CC(C)(C)[C@@H](N)C(=O)O HY-W001954 [0,1,0,0,1,0|0,0,0]=2 231 B8R0.27 CC(C)(C)[C@H](N)C(=O)O HY-59140 [0,1,0,0,1,0|0,0,0]=2 232 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O HY-B0300 [0,1,0,0,1,0|0,0,0]=2 233 B8R0.27 CC(C)(S)[C@H](N)C(=O)O HY-116073 [0,1,0,0,1,0|0,0,0]=2 234 B8R0.27 [2H]C([2H])([2H])[C@@H](N)C(=O)O HY-41700S [0,1,0,0,1,0|2,0,0]=4 235 B8R0.27 [2H]C([2H])([2H])[C@H](N)C(=O)O HY-N0229S12 [0,1,0,0,1,0|2,0,0]=4 236 B8R0.37 [2H]C([2H])(C(=O)O)C(C)C HY-W012980S2 [0,1,0,0,1,0|1,0,0]=3 237 B10R0.82 COC(=O)CC[C@@H](N)C(=O)O HY-W042000 [0,1,0,0,0,1|1,0,1]=4 238 B10R0.82 COC(=O)CC[C@H](N)C(=O)O HY-W013678 [0,1,0,0,0,1|1,0,1]=4 239 B10R0.82 NCC(O)CCC(N)C(=O)O HY-W014930 [0,1,0,0,0,1|1,0,0]=3 240 B10R0.82 NCC(O)CCC(N)C(=O)O HY-W014930R [0,1,0,0,0,1|1,0,0]=3 241 B10R0.92 CC(C)(C)OC[C@@H](N)C(=O)O HY-23053 [0,1,0,0,0,1|0,0,0]=2 242 B10R0.92 CC(C)(C)OC[C@H](N)C(=O)O HY-W010156 [0,1,0,0,0,1|0,0,0]=2 243 B10R0.92 CP(=O)(O)CCC(N)C(=O)O HY-W019870 [0,1,0,0,0,1|2,0,0]=4 244 B10R0.92 CS(=N)(=O)CCC(N)C(=O)O HY-W338140 [0,1,0,0,0,1|2,0,0]=4 245 B10R0.92 CS(=O)(=O)CC[C@H](N)C(=O)O HY-W097491 [0,1,0,0,0,1|2,0,0]=4 246 B10R0.31 C[N+](C)(C)CC(O)CC(=O)O HY-B1453 [0,1,0,0,0,1|2,0,0]=4 247 B10R0.31 C[N+](C)(C)C[C@H](O)CC(=O)O HY-B2246 [0,1,0,0,0,1|2,0,0]=4 248 B10R0.117 [2H]C([2H])(C(C)C)[C@H](N)C(=O)O HY-N0486S12 [0,2,0,0,0,0|0,0,0]=2 249 B10R0.32 CCOC(=O)C(O)CC(C)C HY-W114581 [0,2,0,0,0,0|1,0,0]=3 250 B10R0.32 [C@H](N)(CC(C)C)C(=O)OCC HY-W009892 [0,2,0,0,0,0|0,0,0]=2 251 B10R0.46 COC(=O)CC(N)C(=O)OC HY-W067478 [0,2,0,0,0,0|1,0,1]=4 252 B10R0.46 [C@H](N)(CC(=O)OC)C(=O)OC HY-W009840 [0,2,0,0,0,0|1,0,1]=4 253 B10R0.23 C(=O)N[C@H](CC(C)C)C(=O)O HY-I0630 [0,2,0,0,0,0|0,0,0]=2 254 B10R0.23 CC(C)C[C@H](NC=O)C(=O)O HY-I0591 [0,2,0,0,0,0|0,0,0]=2 255 B10R0.26 C=CCS(=O)C[C@H](N)C(=O)O HY-126085 [0,2,0,0,0,0|2,0,0]=4 256 B8R1.5 CC1CCCCC1=O HY-W010549 [1,0,0,1,0,0|2,0,0]=4 257 B8R1.5 NC1CCCNC1=O HY-21088 [1,0,0,1,0,0|1,0,0]=3 258 B8R1.5 N[C@H]1CCCNC1=O HY-W003592A [1,0,0,1,0,0|1,0,0]=3 259 B8R1.7 NC(=O)[C@@H]1CCCN1 HY-20582 [1,0,0,1,0,0|1,0,0]=3 260 B8R1.7 NC(=O)[C@@H]1CCCN1 HY-W017413 [1,0,0,1,0,0|1,0,0]=3 261 B8R1.7 NC(=O)[C@H]1CCCN1 HY-W012921 [1,0,0,1,0,0|1,0,0]=3 262 B8R1.7 O=C(O)C1=CCCC1 HY-W005540 [1,0,0,1,0,0|1,0,1]=4 263 B8R1.7 O=C(O)C1CCCN1 HY-W012908 [1,0,0,1,0,0|0,0,0]=2 264 B8R1.7 O=C(O)C1CSCN1 HY-B1169 [1,0,0,1,0,0|1,0,0]=3 265 B8R1.7 O=C(O)[C@@H]1C=CCN1 HY-W015897 [1,0,0,1,0,0|0,0,2]=4 266 B8R1.7 O=C(O)[C@@H]1CCCN1 HY-WAA0253 [1,0,0,1,0,0|0,0,0]=2 267 B8R1.7 O=C(O)[C@@H]1CCCN1 HY-Y0252 [1,0,0,1,0,0|0,0,0]=2 268 B8R1.7 O=C(O)[C@@H]1CCCN1 HY-Y0252R [1,0,0,1,0,0|0,0,0]=2 269 B8R1.7 O=C(O)[C@@H]1CCNC1 HY-60256 [1,0,0,1,0,0|2,0,0]=4 270 B8R1.7 O=C(O)[C@@H]1CSCN1 HY-W012676 [1,0,0,1,0,0|1,0,0]=3 271 B8R1.7 O=C(O)[C@H]1CCCN1 HY-75087 [1,0,0,1,0,0|0,0,0]=2 272 B8R1.7 O=C(O)[C@H]1CCCO1 HY-W005223 [1,0,0,1,0,0|1,0,0]=3 273 B8R1.78 NC1(C(=O)O)CCC1 HY-30006 [1,0,0,1,0,0|0,0,0]=2 274 B8R1.50 O=C1OCC(O)[C@@H]1O HY-W357137 [0,0,0,1,1,0|2,0,0]=4 275 B10R1.13 O=C(O)C1CCC(O)CC1 HY-W015675 [0,0,0,1,0,1|2,0,0]=4 276 B10R1.13 O=C(O)[C@H]1CC[C@H](O)CC1 HY-76199 [0,0,0,1,0,1|2,0,0]=4 277 B10R1.54 CC(C)C[C@@H]1CNC(=O)C1 HY-W038877 [0,0,0,1,0,1|2,0,0]=4 278 B10R1.14 COC(=O)[C@@H]1C[C@@H](O)CN1 HY-76043 [0,1,0,1,0,0|1,0,0]=3 279 B8R0.28 CC(=O)CCC=C(C)C HY-W010435 [1,0,0,0,0,1|1,0,1]=4 280 B8R0.28 CC(=O)CCCC(=O)O HY-W001957 [1,0,0,0,0,1|1,0,1]=4 281 B8R0.28 CC(=O)NCCC(=O)O HY-66007 [1,0,0,0,0,1|1,0,1]=4