0 B9R1.35 CC(C)[C@@H]1COC(=O)N1 HY-W002320 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.35 CC(C)[C@H]1COC(=O)N1 HY-W002062 [0,0,0,0,0,0|3,0,1]=4 2 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 HY-W061761 [0,0,0,0,0,0|2,0,1]=3 3 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 HY-W044620 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 HY-40135 [0,0,0,0,0,0|2,0,2]=4 5 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 HY-40135R [0,0,0,0,0,0|2,0,2]=4 6 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 HY-40136 [0,0,0,0,0,0|2,0,2]=4 7 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 HY-W019213 [0,0,0,0,0,0|2,0,2]=4 8 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 HY-76104 [0,0,0,0,0,0|2,0,2]=4 9 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 HY-34666 [0,0,0,0,0,0|2,0,2]=4 10 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 HY-W003511 [0,0,0,0,0,0|2,0,2]=4 11 B9R1.35 O=C1CCC(C(=O)O)N1 HY-W012738 [0,0,0,0,0,0|0,0,0]=0 12 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 HY-76082 [0,0,0,0,0,0|0,0,0]=0 13 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 HY-76082R [0,0,0,0,0,0|0,0,0]=0 14 B9R1.35 O=C1CC[C@H](C(=O)O)N1 HY-W002304 [0,0,0,0,0,0|0,0,0]=0 15 B9R1.35 O=C1N[C@H](C(=O)O)CS1 HY-133105 [0,0,0,0,0,0|1,0,0]=1 16 B9R1.35 [C@H]1(O)CN[C@@H](C(=O)O)C1 HY-W008129 [0,0,0,0,0,0|2,0,2]=4 17 B8R1.1 CCC1CCC(=O)O1 HY-W015892 [1,0,0,0,0,0|2,0,1]=4 18 B8R1.7 NC(=O)[C@@H]1CCCN1 HY-20582 [1,0,0,0,0,0|1,0,1]=3 19 B8R1.7 NC(=O)[C@@H]1CCCN1 HY-W017413 [1,0,0,0,0,0|1,0,1]=3 20 B8R1.7 NC(=O)[C@H]1CCCN1 HY-W012921 [1,0,0,0,0,0|1,0,1]=3 21 B8R1.7 O=C(O)C1=CCCC1 HY-W005540 [1,0,0,0,0,0|1,0,2]=4 22 B8R1.7 O=C(O)C1=CN=CN1 HY-W007695 [1,0,0,0,0,0|1,0,2]=4 23 B8R1.7 O=C(O)C1CCCN1 HY-W012908 [1,0,0,0,0,0|0,0,1]=2 24 B8R1.7 O=C(O)C1CSCN1 HY-B1169 [1,0,0,0,0,0|1,0,1]=3 25 B8R1.7 O=C(O)C1CSSC1 HY-50730 [1,0,0,0,0,0|3,0,0]=4 26 B8R1.7 O=C(O)[C@@H]1C=CCN1 HY-W015897 [1,0,0,0,0,0|2,0,0]=3 27 B8R1.7 O=C(O)[C@@H]1CCCN1 HY-WAA0253 [1,0,0,0,0,0|0,0,1]=2 28 B8R1.7 O=C(O)[C@@H]1CCCN1 HY-Y0252 [1,0,0,0,0,0|0,0,1]=2 29 B8R1.7 O=C(O)[C@@H]1CCCN1 HY-Y0252R [1,0,0,0,0,0|0,0,1]=2 30 B8R1.7 O=C(O)[C@@H]1CCNC1 HY-60256 [1,0,0,0,0,0|2,0,0]=3 31 B8R1.7 O=C(O)[C@@H]1CSCN1 HY-W012676 [1,0,0,0,0,0|1,0,1]=3 32 B8R1.7 O=C(O)[C@H]1CCCN1 HY-75087 [1,0,0,0,0,0|0,0,1]=2 33 B8R1.7 O=C(O)[C@H]1CCCO1 HY-W005223 [1,0,0,0,0,0|1,0,1]=3 34 B10R1.14 CC1=NC(C(=O)O[Na])CS1 HY-W140351 [0,1,0,0,0,0|2,0,1]=4 35 B10R1.14 COC(=O)[C@@H]1CCC(=O)C1 HY-W057459 [0,1,0,0,0,0|1,0,0]=2 36 B10R1.14 COC(=O)[C@@H]1COC(=O)N1 HY-Z0425 [0,1,0,0,0,0|1,0,0]=2 37 B8R0.8 C#CCC[C@H](N)C(=O)O HY-140345 [0,0,1,0,0,0|1,0,1]=3 38 B8R0.8 CCCCC(C)C(=O)O HY-128371 [0,0,1,0,0,0|2,0,1]=4 39 B8R0.8 CCCCC(N)C(=O)O HY-W012709 [0,0,1,0,0,0|1,0,1]=3 40 B8R0.8 CCCCC(O)C(=O)O HY-75954 [0,0,1,0,0,0|2,0,1]=4 41 B8R0.8 CCCC[C@@H](N)C(=O)O HY-41912A [0,0,1,0,0,0|1,0,1]=3 42 B8R0.8 CCCC[C@H](N)C(=O)O HY-Y0017 [0,0,1,0,0,0|1,0,1]=3 43 B8R0.8 CSCCC(N)C(=O)O HY-N0325 [0,0,1,0,0,0|2,0,0]=3 44 B8R0.8 CSCCC(O)C(=O)O HY-116688 [0,0,1,0,0,0|3,0,0]=4 45 B8R0.8 CSCC[C@@H](N)C(=O)O HY-13694 [0,0,1,0,0,0|2,0,0]=3 46 B8R0.8 CSCC[C@H](N)C(=O)O HY-N0326 [0,0,1,0,0,0|2,0,0]=3 47 B8R0.8 CSCC[C@H](N)C(=O)O HY-N0326R [0,0,1,0,0,0|2,0,0]=3 48 B8R0.8 CSCC[C@H](N)C(N)=O HY-W016256 [0,0,1,0,0,0|3,0,0]=4 49 B8R0.8 CSCC[C@H](N)[13C](=O)O HY-N0326S4 [0,0,1,0,0,0|2,0,0]=3 50 B8R0.8 CSCC[C@H]([15NH2])C(=O)O HY-N0326S [0,0,1,0,0,0|2,0,0]=3 51 B8R0.8 C[Se]CCC(N)C(=O)O HY-B1000 [0,0,1,0,0,0|2,0,0]=3 52 B8R0.8 C[Se]CCC(N)C(=O)O HY-B1000R [0,0,1,0,0,0|2,0,0]=3 53 B8R0.8 C[Se]CC[C@H](N)C(=O)O HY-B1000A [0,0,1,0,0,0|2,0,0]=3 54 B8R0.8 NCCCC(N)C(=O)O HY-B1713A [0,0,1,0,0,0|1,0,1]=3 55 B8R0.8 NCCC[C@@H](N)C(=O)O HY-34516 [0,0,1,0,0,0|1,0,1]=3 56 B8R0.8 NCCC[C@H](N)C(=O)O HY-A0282 [0,0,1,0,0,0|1,0,1]=3 57 B8R0.8 NCCC[C@H](N)C(=O)O HY-B1352 [0,0,1,0,0,0|1,0,1]=3 58 B8R0.8 [C@H](N)(CCCN)C(=O)O HY-W017018 [0,0,1,0,0,0|1,0,1]=3 59 B8R0.8 [C@H](N)(CCCN)C(=O)O HY-W017018B [0,0,1,0,0,0|1,0,1]=3 60 B8R0.8 [C@H](N)(CCCN)C(=O)O HY-W017018R [0,0,1,0,0,0|1,0,1]=3 61 B8R0.8 [N-]=[N+]=NC[C@@H](N)C(=O)O HY-151642 [0,0,1,0,0,0|3,0,0]=4 62 B8R0.8 [N-]=[N+]=NC[C@@H](N)C(=O)O HY-151642A [0,0,1,0,0,0|3,0,0]=4 63 B8R0.8 [N-]=[N+]=NC[C@H](N)C(=O)O HY-W336328 [0,0,1,0,0,0|3,0,0]=4 64 B8R0.9 CCC(=O)NCC(=O)O HY-W587803 [0,0,1,0,0,0|0,0,0]=1 65 B8R0.9 COC(=O)CCC(C)=O HY-N3272 [0,0,1,0,0,0|3,0,0]=4 66 B8R0.9 COC(=O)\C=C\C(=O)O HY-103252 [0,0,1,0,0,0|2,0,1]=4 67 B8R0.9 NCC(=O)CCC(=O)O HY-N0305 [0,0,1,0,0,0|2,0,0]=3 68 B8R0.9 NCC(=O)CCC(=O)O HY-N0305R [0,0,1,0,0,0|2,0,0]=3 69 B8R0.9 NCC(=O)NCC(=O)O HY-D0889R [0,0,1,0,0,0|1,0,0]=2 70 B8R0.23 CC(=O)N[C@@H](C)C(=O)O HY-W004066 [0,0,1,0,0,0|0,0,0]=1 71 B8R0.23 CC(=O)N[C@@H](C)C(=O)O HY-W004066R [0,0,1,0,0,0|0,0,0]=1 72 B8R0.23 CC(CC(=O)O)C(=O)O HY-W010381 [0,0,1,0,0,0|2,0,0]=3 73 B8R0.23 CS(=O)C[C@H](N)C(=O)O HY-W017404 [0,0,1,0,0,0|3,0,0]=4 74 B8R0.23 C\C(=C/C(=O)O)C(=O)O HY-78036 [0,0,1,0,0,0|2,0,1]=4 75 B8R0.23 C\C(=C\C(=O)O)C(=O)O HY-113298 [0,0,1,0,0,0|2,0,1]=4 76 B8R0.23 NC(=O)CC(N)C(=O)O HY-W017442 [0,0,1,0,0,0|3,0,0]=4 77 B8R0.23 NC(=O)C[C@@H](N)C(=O)O HY-W010378 [0,0,1,0,0,0|3,0,0]=4 78 B8R0.23 NC(=O)C[C@H](N)C(=O)O HY-N0667R [0,0,1,0,0,0|3,0,0]=4 79 B8R0.23 NC(=O)C[C@H](N)C(=O)O HY-W017443 [0,0,1,0,0,0|3,0,0]=4 80 B8R0.23 NC(CC(=O)O)C(=O)O HY-W015824 [0,0,1,0,0,0|3,0,0]=4 81 B8R0.23 N[C@@H](CC(=O)O)C(=O)O HY-N0666R [0,0,1,0,0,0|3,0,0]=4 82 B8R0.23 O=C(O)CC(O)C(=O)O HY-Y1311 [0,0,1,0,0,0|3,0,0]=4 83 B8R0.23 O=C(O)CC(O)C(=O)O HY-Y1311R [0,0,1,0,0,0|3,0,0]=4 84 B8R0.23 O=C(O)CC(S)C(=O)O HY-106381 [0,0,1,0,0,0|3,0,0]=4 85 B8R0.23 O=C(O)C[C@@H](O)C(=O)O HY-20558 [0,0,1,0,0,0|3,0,0]=4 86 B8R0.23 O=C(O)C[C@@H](O)C(=O)O HY-20558R [0,0,1,0,0,0|3,0,0]=4 87 B8R0.23 O=C(O)C[C@H](O)C(=O)O HY-Y1069 [0,0,1,0,0,0|3,0,0]=4 88 B8R0.23 [15NH2]C(=O)C[C@H]([15NH2])C(=O)O HY-N0667S2 [0,0,1,0,0,0|3,0,0]=4 89 B8R0.23 [15NH2][13C@@H]([13CH2][13C](=O)O)[13C](=O)O HY-N0666S1 [0,0,1,0,0,0|3,0,0]=4 90 B8R0.28 CC(=O)CCCC(=O)O HY-W001957 [0,0,1,0,0,0|1,0,0]=2 91 B8R0.28 CC(=O)NCCC(=O)O HY-66007 [0,0,1,0,0,0|2,0,0]=3 92 B8R0.28 N=C(N)NCCC(=O)O HY-W015828 [0,0,1,0,0,0|2,0,0]=3 93 B8R0.28 NC(=O)NCCC(=O)O HY-113285 [0,0,1,0,0,0|1,0,0]=2 94 B8R0.28 O=C(O)CCCC(=O)O HY-W008820 [0,0,1,0,0,0|1,0,0]=2 95 B8R0.28 O=C(O)CCCC(=O)O HY-W008820R [0,0,1,0,0,0|1,0,0]=2 96 B8R0.28 O=C(O)CNCC(=O)O HY-W012683 [0,0,1,0,0,0|2,0,0]=3 97 B8R0.28 O=C(O)\C=C\CC(=O)O HY-W073501 [0,0,1,0,0,0|1,0,2]=4 98 B8R0.28 O=C(O)\C=C\CC(=O)O HY-W073501A [0,0,1,0,0,0|1,0,2]=4 99 B10R1.13 NC1=NCC(C(=O)O)CN1 HY-124285 [0,0,0,0,0,1|2,0,0]=3 100 B10R1.13 O=C(O)C1CCC(O)CC1 HY-W015675 [0,0,0,0,0,1|1,0,2]=4 101 B10R1.13 O=C(O)[C@H]1CC[C@H](O)CC1 HY-76199 [0,0,0,0,0,1|1,0,2]=4 102 B10R1.113 CC1=NCC[C@@H](C(=O)O)N1 HY-107784 [0,0,0,0,0,1|1,0,0]=2 103 B10R1.113 CC1=NCC[C@@H](C(=O)O)N1 HY-107784R [0,0,0,0,0,1|1,0,0]=2 104 B10R1.113 O=C1CCC[C@@H](C(=O)O)N1 HY-W017542 [0,0,0,0,0,1|0,0,0]=1 105 B10R1.113 O=C1CCC[C@H](C(=O)O)N1 HY-W048995 [0,0,0,0,0,1|0,0,0]=1 106 B7R0.4 C#CCCCC(=O)O HY-Y0925 [1,0,1,0,0,0|1,0,1]=4 107 B7R0.4 CC\C=C\CC(=O)O HY-W010532 [1,0,1,0,0,0|1,0,0]=3 108 B7R0.4 NCCCCC(=O)O HY-W015878 [1,0,1,0,0,0|0,0,1]=3 109 B7R0.4 NCCOCC(=O)O HY-140643 [1,0,1,0,0,0|1,0,1]=4 110 B7R0.4 NCCOCC(=O)O HY-140644 [1,0,1,0,0,0|1,0,1]=4 111 B7R0.4 O=C(O)CCCCBr HY-W016456 [1,0,1,0,0,0|1,0,1]=4 112 B7R0.5 C#CCC(N)C(=O)O HY-W040124 [1,0,1,0,0,0|0,0,2]=4 113 B7R0.5 C=CCC(C)C(=O)O HY-W012922 [1,0,1,0,0,0|1,0,1]=4 114 B7R0.5 C=CC[C@H](N)C(=O)O HY-W015595 [1,0,1,0,0,0|0,0,1]=3 115 B7R0.5 CCCC(C)C(=O)O HY-W010516 [1,0,1,0,0,0|1,0,1]=4 116 B7R0.5 CCCC(N)C(=O)O HY-W010510 [1,0,1,0,0,0|0,0,1]=3 117 B7R0.5 CCC[C@@H](N)C(=O)O HY-41309 [1,0,1,0,0,0|0,0,1]=3 118 B7R0.5 CCC[C@H](N)C(=O)O HY-Y0399 [1,0,1,0,0,0|0,0,1]=3 119 B7R0.5 CNC[C@H](N)C(=O)O HY-W015546 [1,0,1,0,0,0|1,0,1]=4 120 B7R0.5 CSC[C@H](N)C(=O)O HY-B2188 [1,0,1,0,0,0|1,0,1]=4 121 B7R0.5 C[Se]C[C@H](N)C(=O)O HY-114245 [1,0,1,0,0,0|1,0,1]=4 122 B7R0.5 N#CC[C@H](N)C(=O)O HY-125773 [1,0,1,0,0,0|1,0,1]=4 123 B7R0.5 NC(CCO)C(=O)O HY-W012870 [1,0,1,0,0,0|0,0,1]=3 124 B7R0.5 NC(CCS)C(=O)O HY-W040821 [1,0,1,0,0,0|0,1,0]=3 125 B7R0.5 NCC[C@H](N)C(=O)O HY-101414 [1,0,1,0,0,0|1,0,0]=3 126 B7R0.5 NCC[C@H](N)C(=O)O HY-101414A [1,0,1,0,0,0|1,0,0]=3 127 B7R0.5 N[C@@H](CCO)C(=O)O HY-W002292 [1,0,1,0,0,0|0,0,1]=3 128 B7R0.5 N[C@@H](CCO)C(=O)O HY-W002292R [1,0,1,0,0,0|0,0,1]=3 129 B7R0.5 N[C@@H](CCS)C(=O)O HY-W010347 [1,0,1,0,0,0|0,1,0]=3 130 B7R0.5 N[C@@H](CCS)C(=O)O HY-W010347R [1,0,1,0,0,0|0,1,0]=3 131 B7R0.5 N[C@H](CCO)C(=O)O HY-W010499 [1,0,1,0,0,0|0,0,1]=3 132 B7R0.5 [C@@H](N)(CC=C)C(=O)O HY-W012907 [1,0,1,0,0,0|0,0,1]=3 133 B7R0.5 [C@H](N)(CCN)C(=O)O HY-W010018 [1,0,1,0,0,0|1,0,0]=3 134 B7R0.6 CC(=O)CCC(=O)O HY-Y0839 [1,0,1,0,0,0|1,0,0]=3 135 B7R0.6 CC(=O)NCC(=O)O HY-Y0069 [1,0,1,0,0,0|0,0,0]=2 136 B7R0.6 CC(=O)NNC(C)=O HY-I0777 [1,0,1,0,0,0|2,0,0]=4 137 B7R0.6 N=C(N)NCC(=O)O HY-W021448 [1,0,1,0,0,0|2,0,0]=4 138 B7R0.6 O=C(O)CCC(=O)O HY-N0420 [1,0,1,0,0,0|2,0,0]=4 139 B7R0.6 O=C(O)CCC(=O)O HY-N0420R [1,0,1,0,0,0|2,0,0]=4 140 B7R0.6 O=[13C](O)CC[13C](=O)O HY-N0420S3 [1,0,1,0,0,0|2,0,0]=4 141 B7R0.15 CCC(CC)C(=O)O HY-W004154 [1,0,1,0,0,0|1,0,1]=4 142 B7R0.15 [C@@H](CO)(NC)C(=O)O HY-W012872 [1,0,1,0,0,0|1,0,1]=4 143 B7R1.1 OC[C@@H]1CCCN1 HY-Y1126 [2,0,0,0,0,0|0,0,2]=4 144 B7R1.2 CC1CCC(=O)O1 HY-W015938 [2,0,0,0,0,0|1,0,1]=4 145 B7R1.2 O=C1CCC(=O)C1 HY-75355 [2,0,0,0,0,0|1,0,1]=4 146 B7R1.2 O=C1CCC(=O)N1 HY-41877 [2,0,0,0,0,0|0,0,1]=3 147 B7R1.2 O=C1CCC(=O)O1 HY-79369 [2,0,0,0,0,0|1,0,1]=4 148 B7R1.2 O=C1CSC(=O)N1 HY-59272 [2,0,0,0,0,0|1,0,1]=4 149 B7R1.2 O=C1C[C@H](O)CN1 HY-W002597 [2,0,0,0,0,0|2,0,0]=4 150 B9R0.7 CC(=O)OC[C@H](N)C(=O)O HY-101409 [0,1,1,0,0,0|1,0,0]=3 151 B9R0.7 CC(=O)OC[C@H](N)C(=O)O HY-101409A [0,1,1,0,0,0|1,0,0]=3 152 B9R0.7 CC(=O)OC[C@H](N)C(=O)O HY-101409R [0,1,1,0,0,0|1,0,0]=3 153 B9R0.7 CC(CCC(=O)O)C(=O)O HY-W017524 [0,1,1,0,0,0|1,0,0]=3 154 B9R0.7 CS(=O)CCC(N)C(=O)O HY-W010104A [0,1,1,0,0,0|1,0,0]=3 155 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O HY-129770 [0,1,1,0,0,0|1,0,0]=3 156 B9R0.7 C[C@H](NCC(=O)O)C(=O)O HY-W105634 [0,1,1,0,0,0|2,0,0]=4 157 B9R0.7 C[S+](C)CCC(N)C(=O)O HY-N6655 [0,1,1,0,0,0|2,0,0]=4 158 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O HY-N2551 [0,1,1,0,0,0|2,0,0]=4 159 B9R0.7 NC(=O)CCC(N)C(=O)O HY-B1346 [0,1,1,0,0,0|0,0,0]=2 160 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O HY-100587 [0,1,1,0,0,0|0,0,0]=2 161 B9R0.7 NC(=O)CC[C@H](N)C(=O)O HY-N0390 [0,1,1,0,0,0|0,0,0]=2 162 B9R0.7 NC(=O)CC[C@H](N)C(=O)O HY-N0390R [0,1,1,0,0,0|0,0,0]=2 163 B9R0.7 NC(=O)CC[C@H]([15NH2])C(=O)O HY-N0390S [0,1,1,0,0,0|0,0,0]=2 164 B9R0.7 NC(=O)NC[C@H](N)C(=O)O HY-121167 [0,1,1,0,0,0|1,0,0]=3 165 B9R0.7 NC(CCC(=O)O)C(=O)O HY-W010108 [0,1,1,0,0,0|0,0,0]=2 166 B9R0.7 NC(CCC(=O)O)C(=O)O HY-W041895 [0,1,1,0,0,0|0,0,0]=2 167 B9R0.7 N[13C@@H]([13CH2][13CH2][13C](=O)O)[13C](=O)O HY-14608S5 [0,1,1,0,0,0|0,0,0]=2 168 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O HY-112111 [0,1,1,0,0,0|0,0,0]=2 169 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O HY-14608 [0,1,1,0,0,0|0,0,0]=2 170 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O HY-14608R [0,1,1,0,0,0|0,0,0]=2 171 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O HY-W016319 [0,1,1,0,0,0|0,0,0]=2 172 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O HY-W419700 [0,1,1,0,0,0|0,0,0]=2 173 B9R0.7 N[C@@H](CCC(=O)O)[13C](=O)O HY-14608S1 [0,1,1,0,0,0|0,0,0]=2 174 B9R0.7 N[C@H](CCC(=O)O)C(=O)O HY-100805 [0,1,1,0,0,0|0,0,0]=2 175 B9R0.7 N[C@H](CCC(=O)O)C(=O)O HY-100805R [0,1,1,0,0,0|0,0,0]=2 176 B9R0.7 O=C(O)CCC(=O)C(=O)O HY-W013636 [0,1,1,0,0,0|1,0,1]=4 177 B9R0.7 O=C(O)CCC(=O)C(=O)O HY-W013636C [0,1,1,0,0,0|1,0,1]=4 178 B9R0.7 O=C(O)CCC(=O)C(=O)O HY-W013636R [0,1,1,0,0,0|1,0,1]=4 179 B9R0.7 O=[13C](O)[13CH2][13CH2][13C](=O)[13C](=O)O HY-W013636S [0,1,1,0,0,0|1,0,1]=4 180 B9R0.7 [15NH2][C@@H](CCC(=O)O)C(=O)O HY-14608S2 [0,1,1,0,0,0|0,0,0]=2 181 B9R0.8 COC(=O)[C@@H](N)CCSC HY-W014916 [0,1,1,0,0,0|2,0,0]=4 182 B9R0.8 COC(=O)[C@H](N)CCSC HY-W014917 [0,1,1,0,0,0|2,0,0]=4 183 B9R0.47 C#CCSC[C@H](N)C(=O)O HY-W001538 [0,1,1,0,0,0|1,0,1]=4 184 B9R0.47 C=CCSC[C@@H](N)C(=O)O HY-W048286 [0,1,1,0,0,0|1,0,0]=3 185 B9R0.47 C=CCSC[C@H](N)C(=O)O HY-W013573 [0,1,1,0,0,0|1,0,0]=3 186 B9R0.47 NCCCCC(N)C(=O)O HY-B2236 [0,1,1,0,0,0|1,0,1]=4 187 B9R0.47 NCCCCC(N)C(=O)O HY-W027251 [0,1,1,0,0,0|1,0,1]=4 188 B9R0.47 NCCCC[C@@H](N)C(=O)O HY-Y1091 [0,1,1,0,0,0|1,0,1]=4 189 B9R0.47 NCCCC[C@H](N)C(=O)O HY-N0469 [0,1,1,0,0,0|1,0,1]=4 190 B9R0.47 NCCCC[C@H](N)C(=O)O HY-N0470 [0,1,1,0,0,0|1,0,1]=4 191 B9R0.47 NCCCC[C@H](N)C(=O)O HY-W009762 [0,1,1,0,0,0|1,0,1]=4 192 B9R0.47 NCCCC[C@H](N)C(=O)O HY-W015370 [0,1,1,0,0,0|1,0,1]=4 193 B9R0.47 NCCSC[C@H](N)C(=O)O HY-122526 [0,1,1,0,0,0|1,0,1]=4 194 B9R0.47 N[13CH2][13CH2][13CH2][13CH2][13C@H](N)[13C](=O)O HY-N0469S1 [0,1,1,0,0,0|1,0,1]=4 195 B9R0.47 [N-]=[N+]=NCC[C@H](N)C(=O)O HY-140346A [0,1,1,0,0,0|2,0,0]=4 196 B9R0.23 CN(CC(=O)O)C(=O)CN HY-W010276 [0,1,1,0,0,0|1,0,0]=3 197 B9R0.24 COC(=O)CCC(=O)CN HY-A0169A [0,1,1,0,0,0|2,0,0]=4 198 B9R0.24 COC(=O)CCC(=O)OC HY-Y0808 [0,1,1,0,0,0|2,0,0]=4 199 B9R0.48 CCCC(=O)NCC(=O)O HY-113119 [0,1,1,0,0,0|0,0,0]=2 200 B9R0.48 CCOC(=O)\C=C\C(=O)O HY-W019696 [0,1,1,0,0,0|1,0,1]=4 201 B9R0.15 C=CCC(CCC)C(=O)O HY-124087 [0,1,1,0,0,0|2,0,0]=4 202 B9R0.39 CC(=O)NC(CO)C(=O)O HY-W142092 [0,1,1,0,0,0|1,0,0]=3 203 B9R0.39 CC(=O)N[C@@H](CO)C(=O)O HY-134222A [0,1,1,0,0,0|1,0,0]=3 204 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O HY-B0215 [0,1,1,0,0,0|1,0,0]=3 205 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O HY-B0215R [0,1,1,0,0,0|1,0,0]=3 206 B9R0.39 CNC(CC(=O)O)C(=O)O HY-W017500 [0,1,1,0,0,0|2,0,0]=4 207 B9R0.39 CN[C@H](CC(=O)O)C(=O)O HY-17551 [0,1,1,0,0,0|2,0,0]=4 208 B9R0.11 CC(C)(CC(=O)O)C(=O)O HY-W015641 [0,1,1,0,0,0|2,0,0]=4 209 B9R0.11 CC(N)(CC(=O)O)C(=O)O HY-W142119 [0,1,1,0,0,0|2,0,0]=4 210 B9R0.79 CC(C(=O)O)C(N)C(=O)O HY-W017501 [0,1,1,0,0,0|2,0,0]=4 211 B9R0.1 CN(CCCC(=O)O)N=O HY-W679891 [0,1,1,0,0,0|2,0,0]=4 212 B9R0.1 COC(=O)CCCC(=O)O HY-W017523 [0,1,1,0,0,0|1,0,0]=3 213 B9R0.53 CC(CC(=O)O)CC(=O)O HY-113410 [0,1,1,0,0,0|1,0,0]=3 214 B9R0.53 CN(CC(=O)O)CC(=O)O HY-W007872 [0,1,1,0,0,0|2,0,0]=4 215 B9R0.53 O=C(O)CC(=O)CC(=O)O HY-W007752 [0,1,1,0,0,0|1,0,1]=4 216 B9R1.11 COC(=O)[C@@H]1CCCN1 HY-76134 [1,1,0,0,0,0|0,0,1]=3 217 B9R1.41 CN1CCC[C@H]1C(=O)O HY-21754 [1,1,0,0,0,0|0,0,1]=3 218 B9R1.163 NC1(C(=O)O)CCCC1 HY-30008 [1,1,0,0,0,0|1,0,1]=4 219 B9R1.163 [2H]C1(C(=O)O)CCCN1 HY-W012908S1 [1,1,0,0,0,0|0,0,1]=3 220 B11R1.74 O=C1C[C@@H](C(=O)O)NC(=O)N1 HY-W015495 [0,1,0,0,0,1|0,0,1]=3 221 B11R1.167 CC1=NC[C@H](O)[C@@H](C(=O)O)N1 HY-108032 [0,1,0,0,0,1|1,0,0]=3 222 B11R1.175 O=C(O)C1CSC(C(=O)O)N1 HY-W024241 [0,2,0,0,0,0|1,0,1]=4 223 B9R1.6 O=C(O)C1CCCCN1 HY-Y0669R [0,0,1,1,0,0|1,0,1]=4 224 B9R1.6 O=C(O)[C@H]1CCCCN1 HY-Y0181 [0,0,1,1,0,0|1,0,1]=4 225 B9R1.6 [C@@H]1(C(=O)O)CCCCN1 HY-W012734 [0,0,1,1,0,0|1,0,1]=4 226 B9R1.110 NC(C(=O)O)C1CCC1 HY-20834 [0,0,1,1,0,0|1,0,1]=4 227 B9R1.112 [C@H](N)(CC1CC1)C(=O)O HY-W008028 [0,0,1,1,0,0|1,0,1]=4 228 B11R2.66 O=C1CN2C(=O)CCC2N1 HY-106856 [0,0,0,1,0,1|1,0,0]=3 229 B7R0.16 CC(C(=O)O)C(=O)O HY-103395 [0,0,1,0,1,0|1,0,0]=3 230 B7R0.16 NC(C(=O)O)C(=O)O HY-112052 [0,0,1,0,1,0|2,0,0]=4 231 B7R1.18 O=C(O)C1CNC1 HY-Y0530 [1,0,0,0,1,0|1,0,1]=4 232 B7R1.18 O=C(O)[C@@H]1CCN1 HY-W050044 [1,0,0,0,1,0|0,0,0]=2 233 B7R1.18 O=C(O)[C@H]1CCN1 HY-W017755 [1,0,0,0,1,0|0,0,0]=2 234 B9R0.55 CC(=O)NCCCC(=O)O HY-101411 [0,0,1,0,0,1|1,0,0]=3 235 B9R0.55 N=C(N)NCCCC(=O)O HY-113286 [0,0,1,0,0,1|1,0,0]=3 236 B9R0.55 O=C(O)CCCCC(=O)O HY-B2186 [0,0,1,0,0,1|1,0,0]=3 237 B9R0.55 O=C(O)CCCCC(=O)O HY-W017522 [0,0,1,0,0,1|1,0,0]=3 238 B9R0.55 O=C(O)CCCCC(=O)O HY-W017522R [0,0,1,0,0,1|1,0,0]=3 239 B9R0.55 O=C(O)CCCC[13C](=O)O HY-W017522S3 [0,0,1,0,0,1|1,0,0]=3 240 B9R0.55 O=C(O)C\C=C\CC(=O)O HY-128426 [0,0,1,0,0,1|1,0,1]=4