0 B9R0.47 C#CCSC[C@H](N)C(=O)O HY-W001538 [0,0,0,0,0,0|0,0,2]=2 1 B9R0.47 C=CCSC[C@@H](N)C(=O)O HY-W048286 [0,0,0,0,0,0|0,0,0]=0 2 B9R0.47 C=CCSC[C@H](N)C(=O)O HY-W013573 [0,0,0,0,0,0|0,0,0]=0 3 B9R0.47 CNCCC[C@H](N)C(C)=O HY-126436C [0,0,0,0,0,0|3,0,1]=4 4 B9R0.47 NCCCCC(N)C(=O)O HY-B2236 [0,0,0,0,0,0|2,0,1]=3 5 B9R0.47 NCCCCC(N)C(=O)O HY-W027251 [0,0,0,0,0,0|2,0,1]=3 6 B9R0.47 NCCCC[C@@H](N)C(=O)O HY-Y1091 [0,0,0,0,0,0|2,0,1]=3 7 B9R0.47 NCCCC[C@H](N)C(=O)O HY-N0469 [0,0,0,0,0,0|2,0,1]=3 8 B9R0.47 NCCCC[C@H](N)C(=O)O HY-N0470 [0,0,0,0,0,0|2,0,1]=3 9 B9R0.47 NCCCC[C@H](N)C(=O)O HY-W009762 [0,0,0,0,0,0|2,0,1]=3 10 B9R0.47 NCCCC[C@H](N)C(=O)O HY-W015370 [0,0,0,0,0,0|2,0,1]=3 11 B9R0.47 NCCSC[C@H](N)C(=O)O HY-122526 [0,0,0,0,0,0|1,0,1]=2 12 B9R0.47 N[13CH2][13CH2][13CH2][13CH2][13C@H](N)[13C](=O)O HY-N0469S1 [0,0,0,0,0,0|2,0,1]=3 13 B9R0.47 [N-]=[N+]=NCC[C@H](N)C(=O)O HY-140346A [0,0,0,0,0,0|4,0,0]=4 14 B8R0.7 C#CCOCCC(=O)O HY-130504 [1,0,0,0,0,0|0,1,2]=4 15 B8R0.7 NCCOCCC(=O)O HY-140002 [1,0,0,0,0,0|1,1,1]=4 16 B8R0.7 O=C(O)CCOCCO HY-116655 [1,0,0,0,0,0|1,1,1]=4 17 B8R0.8 C#CCC[C@H](N)C(=O)O HY-140345 [1,0,0,0,0,0|0,0,2]=3 18 B8R0.8 CCCCC(C)C(=O)O HY-128371 [1,0,0,0,0,0|1,0,2]=4 19 B8R0.8 CCCCC(N)C(=O)O HY-W012709 [1,0,0,0,0,0|0,0,2]=3 20 B8R0.8 CCCCC(O)C(=O)O HY-75954 [1,0,0,0,0,0|1,0,2]=4 21 B8R0.8 CCCC[C@@H](N)C(=O)O HY-41912A [1,0,0,0,0,0|0,0,2]=3 22 B8R0.8 CCCC[C@H](N)C(=O)O HY-Y0017 [1,0,0,0,0,0|0,0,2]=3 23 B8R0.8 CSCCC(N)C(=O)O HY-N0325 [1,0,0,0,0,0|1,0,1]=3 24 B8R0.8 CSCCC(O)C(=O)O HY-116688 [1,0,0,0,0,0|2,0,1]=4 25 B8R0.8 CSCC[C@@H](N)C(=O)O HY-13694 [1,0,0,0,0,0|1,0,1]=3 26 B8R0.8 CSCC[C@H](N)C(=O)O HY-N0326 [1,0,0,0,0,0|1,0,1]=3 27 B8R0.8 CSCC[C@H](N)C(=O)O HY-N0326R [1,0,0,0,0,0|1,0,1]=3 28 B8R0.8 CSCC[C@H](N)C(N)=O HY-W016256 [1,0,0,0,0,0|2,0,1]=4 29 B8R0.8 CSCC[C@H](N)[13C](=O)O HY-N0326S4 [1,0,0,0,0,0|1,0,1]=3 30 B8R0.8 CSCC[C@H]([15NH2])C(=O)O HY-N0326S [1,0,0,0,0,0|1,0,1]=3 31 B8R0.8 C[Se]CCC(N)C(=O)O HY-B1000 [1,0,0,0,0,0|1,0,1]=3 32 B8R0.8 C[Se]CCC(N)C(=O)O HY-B1000R [1,0,0,0,0,0|1,0,1]=3 33 B8R0.8 C[Se]CC[C@H](N)C(=O)O HY-B1000A [1,0,0,0,0,0|1,0,1]=3 34 B8R0.8 NCCCC(N)C(=O)O HY-B1713A [1,0,0,0,0,0|1,0,1]=3 35 B8R0.8 NCCC[C@@H](N)C(=O)O HY-34516 [1,0,0,0,0,0|1,0,1]=3 36 B8R0.8 NCCC[C@H](N)C(=O)O HY-A0282 [1,0,0,0,0,0|1,0,1]=3 37 B8R0.8 NCCC[C@H](N)C(=O)O HY-B1352 [1,0,0,0,0,0|1,0,1]=3 38 B8R0.8 [C@H](N)(CCCN)C(=O)O HY-W017018 [1,0,0,0,0,0|1,0,1]=3 39 B8R0.8 [C@H](N)(CCCN)C(=O)O HY-W017018B [1,0,0,0,0,0|1,0,1]=3 40 B8R0.8 [C@H](N)(CCCN)C(=O)O HY-W017018R [1,0,0,0,0,0|1,0,1]=3 41 B8R0.8 [N-]=[N+]=NC[C@@H](N)C(=O)O HY-151642 [1,0,0,0,0,0|3,0,0]=4 42 B8R0.8 [N-]=[N+]=NC[C@@H](N)C(=O)O HY-151642A [1,0,0,0,0,0|3,0,0]=4 43 B8R0.8 [N-]=[N+]=NC[C@H](N)C(=O)O HY-W336328 [1,0,0,0,0,0|3,0,0]=4 44 B10R0.26 C=CCS(=O)C[C@H](N)C(=O)O HY-126085 [0,1,0,0,0,0|0,0,1]=2 45 B10R0.75 CCCCCCC(N)C(=O)O HY-W015461 [0,1,0,0,0,0|1,0,2]=4 46 B10R0.75 N[C@@H](CSCCCO)C(=O)O HY-B0393 [0,1,0,0,0,0|0,0,2]=3 47 B10R0.82 NCC(O)CCC(N)C(=O)O HY-W014930 [0,1,0,0,0,0|2,0,1]=4 48 B10R0.82 NCC(O)CCC(N)C(=O)O HY-W014930R [0,1,0,0,0,0|2,0,1]=4 49 B10R0.83 [C@H](N)(CCCCN)C(=O)OC HY-W009631 [0,1,0,0,0,0|2,0,1]=4 50 B10R0.98 NC(CCCC(=O)O)C(=O)O HY-113328 [0,1,0,0,0,0|2,0,0]=3 51 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O HY-D0205A [0,1,0,0,0,0|1,0,0]=2 52 B10R0.98 [C@H](N)(CCCC(=O)O)C(=O)O HY-W013665 [0,1,0,0,0,0|2,0,0]=3 53 B10R0.98 [C@H](N)(CCCC(=O)O)C(=O)O HY-W013665R [0,1,0,0,0,0|2,0,0]=3 54 B10R1.23 NC(C(=O)O)C1CCCC1 HY-W040803 [0,0,0,1,0,0|1,0,2]=4 55 B10R1.23 N[C@@H](C(=O)O)C1=CSC=C1 HY-W017254 [0,0,0,1,0,0|2,0,1]=4 56 B10R1.23 [C@H](N)(C(=O)O)C1=CC=CS1 HY-W017256 [0,0,0,1,0,0|0,0,2]=3 57 B10R1.113 CC1=NCC[C@@H](C(=O)O)N1 HY-107784 [0,0,0,1,0,0|2,0,1]=4 58 B10R1.113 CC1=NCC[C@@H](C(=O)O)N1 HY-107784R [0,0,0,1,0,0|2,0,1]=4 59 B10R1.113 O=C1CCC[C@@H](C(=O)O)N1 HY-W017542 [0,0,0,1,0,0|2,0,0]=3 60 B10R1.113 O=C1CCC[C@H](C(=O)O)N1 HY-W048995 [0,0,0,1,0,0|2,0,0]=3 61 B7R0.1 C=CCSSCC=C HY-W015635 [2,0,0,0,0,0|2,0,0]=4 62 B7R0.4 C#CCCCC(=O)O HY-Y0925 [2,0,0,0,0,0|0,0,2]=4 63 B7R0.4 NCCCCC(=O)O HY-W015878 [2,0,0,0,0,0|1,0,1]=4 64 B7R0.4 O=C(O)CCCCBr HY-W016456 [2,0,0,0,0,0|1,0,1]=4 65 B7R0.5 C#CCC(N)C(=O)O HY-W040124 [2,0,0,0,0,0|0,0,2]=4 66 B7R0.5 C=CCC(C)C(=O)O HY-W012922 [2,0,0,0,0,0|1,0,0]=3 67 B7R0.5 C=CC[C@H](N)C(=O)O HY-W015595 [2,0,0,0,0,0|0,0,0]=2 68 B7R0.5 CCCC(C)C(=O)O HY-W010516 [2,0,0,0,0,0|1,0,1]=4 69 B7R0.5 CCCC(N)C(=O)O HY-W010510 [2,0,0,0,0,0|0,0,1]=3 70 B7R0.5 CCC[C@@H](N)C(=O)O HY-41309 [2,0,0,0,0,0|0,0,1]=3 71 B7R0.5 CCC[C@H](N)C(=O)O HY-Y0399 [2,0,0,0,0,0|0,0,1]=3 72 B7R0.5 CNC[C@H](N)C(=O)O HY-W015546 [2,0,0,0,0,0|1,0,0]=3 73 B7R0.5 CSC[C@H](N)C(=O)O HY-B2188 [2,0,0,0,0,0|0,0,0]=2 74 B7R0.5 C[Se]C[C@H](N)C(=O)O HY-114245 [2,0,0,0,0,0|0,1,0]=3 75 B7R0.5 N#CC[C@H](N)C(=O)O HY-125773 [2,0,0,0,0,0|1,0,1]=4 76 B7R0.5 NC(CCO)C(=O)O HY-W012870 [2,0,0,0,0,0|1,0,0]=3 77 B7R0.5 NC(CCS)C(=O)O HY-W040821 [2,0,0,0,0,0|1,0,0]=3 78 B7R0.5 NCC[C@H](N)C(=O)O HY-101414 [2,0,0,0,0,0|1,0,0]=3 79 B7R0.5 NCC[C@H](N)C(=O)O HY-101414A [2,0,0,0,0,0|1,0,0]=3 80 B7R0.5 N[C@@H](CCO)C(=O)O HY-W002292 [2,0,0,0,0,0|1,0,0]=3 81 B7R0.5 N[C@@H](CCO)C(=O)O HY-W002292R [2,0,0,0,0,0|1,0,0]=3 82 B7R0.5 N[C@@H](CCS)C(=O)O HY-W010347 [2,0,0,0,0,0|1,0,0]=3 83 B7R0.5 N[C@@H](CCS)C(=O)O HY-W010347R [2,0,0,0,0,0|1,0,0]=3 84 B7R0.5 N[C@H](CCO)C(=O)O HY-W010499 [2,0,0,0,0,0|1,0,0]=3 85 B7R0.5 [C@@H](N)(CC=C)C(=O)O HY-W012907 [2,0,0,0,0,0|0,0,0]=2 86 B7R0.5 [C@H](N)(CCN)C(=O)O HY-W010018 [2,0,0,0,0,0|1,0,0]=3 87 B9R0.2 NCCSSCCC(=O)O HY-140096 [1,1,0,0,0,0|1,0,1]=4 88 B9R0.55 O=C(O)CCCCC(=O)O HY-B2186 [1,1,0,0,0,0|2,0,0]=4 89 B9R0.55 O=C(O)CCCCC(=O)O HY-W017522 [1,1,0,0,0,0|2,0,0]=4 90 B9R0.55 O=C(O)CCCCC(=O)O HY-W017522R [1,1,0,0,0,0|2,0,0]=4 91 B9R0.55 O=C(O)CCCC[13C](=O)O HY-W017522S3 [1,1,0,0,0,0|2,0,0]=4 92 B9R0.7 CC(=O)OC[C@H](N)C(=O)O HY-101409 [1,1,0,0,0,0|0,1,1]=4 93 B9R0.7 CC(=O)OC[C@H](N)C(=O)O HY-101409A [1,1,0,0,0,0|0,1,1]=4 94 B9R0.7 CC(=O)OC[C@H](N)C(=O)O HY-101409R [1,1,0,0,0,0|0,1,1]=4 95 B9R0.7 CC(CCC(=O)O)C(=O)O HY-W017524 [1,1,0,0,0,0|2,0,0]=4 96 B9R0.7 CS(=O)CCC(N)C(=O)O HY-W010104A [1,1,0,0,0,0|1,0,1]=4 97 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O HY-129770 [1,1,0,0,0,0|1,0,1]=4 98 B9R0.7 C[S+](C)CCC(N)C(=O)O HY-N6655 [1,1,0,0,0,0|1,0,1]=4 99 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O HY-N2551 [1,1,0,0,0,0|1,0,1]=4 100 B9R0.7 NC(=O)CCC(N)C(=O)O HY-B1346 [1,1,0,0,0,0|1,0,0]=3 101 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O HY-100587 [1,1,0,0,0,0|1,0,0]=3 102 B9R0.7 NC(=O)CC[C@H](N)C(=O)O HY-N0390 [1,1,0,0,0,0|1,0,0]=3 103 B9R0.7 NC(=O)CC[C@H](N)C(=O)O HY-N0390R [1,1,0,0,0,0|1,0,0]=3 104 B9R0.7 NC(=O)CC[C@H]([15NH2])C(=O)O HY-N0390S [1,1,0,0,0,0|1,0,0]=3 105 B9R0.7 NC(=O)NC[C@H](N)C(=O)O HY-121167 [1,1,0,0,0,0|2,0,0]=4 106 B9R0.7 NC(CCC(=O)O)C(=O)O HY-W010108 [1,1,0,0,0,0|1,0,0]=3 107 B9R0.7 NC(CCC(=O)O)C(=O)O HY-W041895 [1,1,0,0,0,0|1,0,0]=3 108 B9R0.7 N[13C@@H]([13CH2][13CH2][13C](=O)O)[13C](=O)O HY-14608S5 [1,1,0,0,0,0|1,0,0]=3 109 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O HY-112111 [1,1,0,0,0,0|1,0,0]=3 110 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O HY-14608 [1,1,0,0,0,0|1,0,0]=3 111 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O HY-14608R [1,1,0,0,0,0|1,0,0]=3 112 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O HY-W016319 [1,1,0,0,0,0|1,0,0]=3 113 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O HY-W419700 [1,1,0,0,0,0|1,0,0]=3 114 B9R0.7 N[C@@H](CCC(=O)O)[13C](=O)O HY-14608S1 [1,1,0,0,0,0|1,0,0]=3 115 B9R0.7 N[C@H](CCC(=O)O)C(=O)O HY-100805 [1,1,0,0,0,0|1,0,0]=3 116 B9R0.7 N[C@H](CCC(=O)O)C(=O)O HY-100805R [1,1,0,0,0,0|1,0,0]=3 117 B9R0.7 [15NH2][C@@H](CCC(=O)O)C(=O)O HY-14608S2 [1,1,0,0,0,0|1,0,0]=3 118 B11R0.29 CC(=N)NCCC[C@H](N)C(=O)O HY-100986 [0,2,0,0,0,0|1,0,1]=4 119 B11R0.29 N=C(N)NCCCC(N)C(=O)O HY-N0454 [0,2,0,0,0,0|2,0,0]=4 120 B11R0.29 N=C(N)NCCCC(N)C(=O)O HY-W014375 [0,2,0,0,0,0|2,0,0]=4 121 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)O HY-W016781 [0,2,0,0,0,0|2,0,0]=4 122 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O HY-N0455 [0,2,0,0,0,0|2,0,0]=4 123 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O HY-N0455A [0,2,0,0,0,0|2,0,0]=4 124 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O HY-N0455B [0,2,0,0,0,0|2,0,0]=4 125 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O HY-N0455R [0,2,0,0,0,0|2,0,0]=4 126 B11R0.29 N=C(O)NCCCC(N)C(=O)O HY-W016734 [0,2,0,0,0,0|2,0,0]=4 127 B11R0.29 N=[13C](N)NCCC[C@H](N)C(=O)O HY-N0455AS7 [0,2,0,0,0,0|2,0,0]=4 128 B11R0.29 NC(=O)NCCC[C@H](N)C(=O)O HY-N0391 [0,2,0,0,0,0|2,0,0]=4 129 B11R0.29 NC(=O)NCCC[C@H](N)C(=O)O HY-N0391A [0,2,0,0,0,0|2,0,0]=4 130 B11R0.29 NC(=O)NCCC[C@H](N)C(=O)O HY-N0391R [0,2,0,0,0,0|2,0,0]=4 131 B11R0.29 NC(CCCCC(=O)O)C(=O)O HY-W141876 [0,2,0,0,0,0|1,0,1]=4 132 B11R0.29 N[C@@H](CSCCB(O)O)C(=O)O HY-19548A [0,2,0,0,0,0|1,0,1]=4 133 B11R0.29 N[C@@H](CSCCC(=O)O)C(=O)O HY-W141774 [0,2,0,0,0,0|0,0,1]=3 134 B11R0.42 N[C@@H](CCCCNC=O)C(=O)O HY-W141975 [0,2,0,0,0,0|1,0,1]=4 135 B9R1.13 O=C(O)CC1=CC=CS1 HY-W001142 [1,0,0,1,0,0|0,0,2]=4 136 B9R1.35 O=C1CCC(C(=O)O)N1 HY-W012738 [1,0,0,1,0,0|1,0,0]=3 137 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 HY-76082 [1,0,0,1,0,0|1,0,0]=3 138 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 HY-76082R [1,0,0,1,0,0|1,0,0]=3 139 B9R1.35 O=C1CC[C@H](C(=O)O)N1 HY-W002304 [1,0,0,1,0,0|1,0,0]=3 140 B9R1.35 O=C1N[C@H](C(=O)O)CS1 HY-133105 [1,0,0,1,0,0|1,0,0]=3 141 B9R1.110 NC(C(=O)O)C1CCC1 HY-20834 [1,0,0,1,0,0|0,0,2]=4 142 B9R1.112 [C@H](N)(CC1CC1)C(=O)O HY-W008028 [1,0,0,1,0,0|0,0,2]=4 143 B9R1.163 NC1(C(=O)O)CCCC1 HY-30008 [1,0,0,1,0,0|0,0,2]=4 144 B11R1.35 NC(CC1=CC=CS1)C(=O)O HY-W141842 [0,1,0,1,0,0|0,0,1]=3 145 B11R1.35 NC(CC1=CN=CN1)C(=O)O HY-W010209 [0,1,0,1,0,0|2,0,0]=4 146 B11R1.35 N[C@@H](CC1=CC=CS1)C(=O)O HY-I0393 [0,1,0,1,0,0|0,0,1]=3 147 B11R1.35 N[C@@H](CC1=CNC=N1)C(=O)O HY-N0832 [0,1,0,1,0,0|2,0,0]=4 148 B11R1.35 N[C@@H](CC1=CNC=N1)C(=O)O HY-N0832R [0,1,0,1,0,0|2,0,0]=4 149 B11R1.35 N[C@@H](CC1=CNC=N1)C(=O)O HY-N0833 [0,1,0,1,0,0|2,0,0]=4 150 B11R1.35 N[C@H](CC1=CN=CN1)C(=O)O HY-W012572A [0,1,0,1,0,0|2,0,0]=4 151 B11R1.35 [C@H](N)(CC1=CN=CN1)C(=O)O HY-W014423 [0,1,0,1,0,0|2,0,0]=4 152 B11R1.175 O=C(O)C1CSC(C(=O)O)N1 HY-W024241 [0,1,0,1,0,0|1,0,0]=3