0 B9R0.39 CC(=O)NC(CO)C(=O)O HY-W142092 [0,0,0,0,0,0|0,1,0]=1 1 B9R0.39 CC(=O)N[C@@H](CO)C(=O)O HY-134222A [0,0,0,0,0,0|0,1,0]=1 2 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O HY-B0215 [0,0,0,0,0,0|0,0,0]=0 3 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O HY-B0215R [0,0,0,0,0,0|0,0,0]=0 4 B9R0.39 CNC(CC(=O)O)C(=O)O HY-W017500 [0,0,0,0,0,0|4,0,0]=4 5 B9R0.39 CN[C@H](CC(=O)O)C(=O)O HY-17551 [0,0,0,0,0,0|4,0,0]=4 6 B8R0.23 CC(=O)N[C@@H](C)C(=O)O HY-W004066 [1,0,0,0,0,0|0,0,0]=1 7 B8R0.23 CC(=O)N[C@@H](C)C(=O)O HY-W004066R [1,0,0,0,0,0|0,0,0]=1 8 B8R0.23 CC(CC(=O)O)C(=O)O HY-W010381 [1,0,0,0,0,0|2,0,0]=3 9 B8R0.23 CS(=O)C[C@H](N)C(=O)O HY-W017404 [1,0,0,0,0,0|3,0,0]=4 10 B8R0.23 C\C(=C/C(=O)O)C(=O)O HY-78036 [1,0,0,0,0,0|2,0,1]=4 11 B8R0.23 C\C(=C\C(=O)O)C(=O)O HY-113298 [1,0,0,0,0,0|2,0,1]=4 12 B8R0.23 NC(=O)CC(N)C(=O)O HY-W017442 [1,0,0,0,0,0|3,0,0]=4 13 B8R0.23 NC(=O)C[C@@H](N)C(=O)O HY-W010378 [1,0,0,0,0,0|3,0,0]=4 14 B8R0.23 NC(=O)C[C@H](N)C(=O)O HY-N0667R [1,0,0,0,0,0|3,0,0]=4 15 B8R0.23 NC(=O)C[C@H](N)C(=O)O HY-W017443 [1,0,0,0,0,0|3,0,0]=4 16 B8R0.23 NC(CC(=O)O)C(=O)O HY-W015824 [1,0,0,0,0,0|3,0,0]=4 17 B8R0.23 N[C@@H](CC(=O)O)C(=O)O HY-N0666R [1,0,0,0,0,0|3,0,0]=4 18 B8R0.23 O=C(O)CC(O)C(=O)O HY-Y1311 [1,0,0,0,0,0|2,1,0]=4 19 B8R0.23 O=C(O)CC(O)C(=O)O HY-Y1311R [1,0,0,0,0,0|2,1,0]=4 20 B8R0.23 O=C(O)CC(S)C(=O)O HY-106381 [1,0,0,0,0,0|2,0,0]=3 21 B8R0.23 O=C(O)C[C@@H](O)C(=O)O HY-20558 [1,0,0,0,0,0|2,1,0]=4 22 B8R0.23 O=C(O)C[C@@H](O)C(=O)O HY-20558R [1,0,0,0,0,0|2,1,0]=4 23 B8R0.23 O=C(O)C[C@H](O)C(=O)O HY-Y1069 [1,0,0,0,0,0|2,1,0]=4 24 B8R0.23 [15NH2]C(=O)C[C@H]([15NH2])C(=O)O HY-N0667S2 [1,0,0,0,0,0|3,0,0]=4 25 B8R0.23 [15NH2][13C@@H]([13CH2][13C](=O)O)[13C](=O)O HY-N0666S1 [1,0,0,0,0,0|3,0,0]=4 26 B10R0.54 COC(=O)[C@H](CS)NC(C)=O HY-23174 [0,1,0,0,0,0|0,0,0]=1 27 B10R0.162 CC(=O)N[C@H](C(=O)O)C(C)C HY-W015466 [0,1,0,0,0,0|1,0,0]=2 28 B10R1.64 CC(=O)NC1CCSC1=O HY-B0931 [0,0,0,1,0,0|1,1,0]=3 29 B10R1.64 CC(=O)N[C@H]1CCOC1=O HY-W243002 [0,0,0,1,0,0|1,0,0]=2 30 B10R1.113 CC1=NCC[C@@H](C(=O)O)N1 HY-107784 [0,0,0,1,0,0|2,0,0]=3 31 B10R1.113 CC1=NCC[C@@H](C(=O)O)N1 HY-107784R [0,0,0,1,0,0|2,0,0]=3 32 B10R1.113 O=C1CCC[C@@H](C(=O)O)N1 HY-W017542 [0,0,0,1,0,0|1,0,0]=2 33 B10R1.113 O=C1CCC[C@H](C(=O)O)N1 HY-W048995 [0,0,0,1,0,0|1,0,0]=2 34 B8R0.18 CCC(C(=O)O)C(=O)O HY-34740 [0,0,0,0,1,0|2,0,0]=3 35 B7R0.5 C=CCC(C)C(=O)O HY-W012922 [2,0,0,0,0,0|1,0,1]=4 36 B7R0.5 CCCC(C)C(=O)O HY-W010516 [2,0,0,0,0,0|1,0,1]=4 37 B7R0.15 CCC(CC)C(=O)O HY-W004154 [2,0,0,0,0,0|1,0,1]=4 38 B7R0.15 [C@@H](CO)(NC)C(=O)O HY-W012872 [2,0,0,0,0,0|0,1,0]=3 39 B7R0.6 CC(=O)CCC(=O)O HY-Y0839 [2,0,0,0,0,0|1,0,0]=3 40 B7R0.6 CC(=O)NCC(=O)O HY-Y0069 [2,0,0,0,0,0|0,0,0]=2 41 B7R0.6 CC(=O)NNC(C)=O HY-I0777 [2,0,0,0,0,0|2,0,0]=4 42 B7R0.6 N=C(N)NCC(=O)O HY-W021448 [2,0,0,0,0,0|2,0,0]=4 43 B7R0.6 O=C(O)CCC(=O)O HY-N0420 [2,0,0,0,0,0|2,0,0]=4 44 B7R0.6 O=C(O)CCC(=O)O HY-N0420R [2,0,0,0,0,0|2,0,0]=4 45 B7R0.6 O=[13C](O)CC[13C](=O)O HY-N0420S3 [2,0,0,0,0,0|2,0,0]=4 46 B9R0.11 CC(C)(CC(=O)O)C(=O)O HY-W015641 [1,1,0,0,0,0|2,0,0]=4 47 B9R0.11 CC(N)(CC(=O)O)C(=O)O HY-W142119 [1,1,0,0,0,0|2,0,0]=4 48 B9R0.42 COC(=O)C[C@H](N)C(=O)O HY-Y1801 [1,1,0,0,0,0|2,0,0]=4 49 B9R0.42 OCC(=O)OC(C)C(=O)O HY-B2247 [1,1,0,0,0,0|1,0,0]=3 50 B9R0.79 CC(C(=O)O)C(N)C(=O)O HY-W017501 [1,1,0,0,0,0|2,0,0]=4 51 B9R0.79 O=C(O)[C@H](S)[C@H](S)C(=O)O HY-B1768 [1,1,0,0,0,0|2,0,0]=4 52 B11R0.32 CC(=O)NC(CC(=O)O)C(=O)O HY-W016749 [0,1,0,0,0,1|0,1,1]=4 53 B11R0.32 CC(=O)N[C@@H](CC(=O)O)C(=O)O HY-113524 [0,1,0,0,0,1|0,1,1]=4 54 B11R0.32 CC(=O)N[C@@H](CC(=O)O)C(=O)O HY-113524R [0,1,0,0,0,1|0,1,1]=4 55 B11R0.115 CC[C@H](C)[C@H](NC(C)=O)C(=O)O HY-W016835 [0,2,0,0,0,0|1,0,0]=3 56 B11R0.160 CC(=O)N[C@@H](CCCN)C(=O)O HY-113080 [0,2,0,0,0,0|1,0,0]=3 57 B11R0.160 CC(=O)N[C@@H](CCCN)C(=O)O HY-113080R [0,2,0,0,0,0|1,0,0]=3 58 B11R0.160 CSCCC(NC(C)=O)C(=O)O HY-W019704 [0,2,0,0,0,0|0,0,0]=2 59 B11R0.160 CSCC[C@@H](NC(C)=O)C(=O)O HY-W012497 [0,2,0,0,0,0|0,0,0]=2 60 B11R0.160 CSCC[C@H](NC(C)=O)C(=O)O HY-W012499 [0,2,0,0,0,0|0,0,0]=2 61 B11R0.108 CC(C)[C@H](NC(=O)CN)C(=O)O HY-W016785 [0,2,0,0,0,0|1,0,0]=3 62 B11R0.108 COC(=O)N[C@H](C(=O)O)C(C)C HY-I1107 [0,2,0,0,0,0|1,0,0]=3 63 B11R0.56 CCOC(=O)[C@H](CS)NC(C)=O HY-134495 [0,2,0,0,0,0|0,0,0]=2 64 B9R1.6 O=C(O)C1CCCCN1 HY-Y0669R [1,0,0,1,0,0|1,0,1]=4 65 B9R1.6 O=C(O)[C@H]1CCCCN1 HY-Y0181 [1,0,0,1,0,0|1,0,1]=4 66 B9R1.6 [C@@H]1(C(=O)O)CCCCN1 HY-W012734 [1,0,0,1,0,0|1,0,1]=4 67 B9R1.35 O=C1CCC(C(=O)O)N1 HY-W012738 [1,0,0,1,0,0|1,0,0]=3 68 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 HY-76082 [1,0,0,1,0,0|1,0,0]=3 69 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 HY-76082R [1,0,0,1,0,0|1,0,0]=3 70 B9R1.35 O=C1CC[C@H](C(=O)O)N1 HY-W002304 [1,0,0,1,0,0|1,0,0]=3 71 B9R1.35 O=C1N[C@H](C(=O)O)CS1 HY-133105 [1,0,0,1,0,0|0,0,0]=2 72 B9R1.69 C[C@@H]1NC(=O)CNC1=O HY-75564 [1,0,0,1,0,0|1,0,0]=3 73 B11R1.175 O=C(O)C1CSC(C(=O)O)N1 HY-W024241 [0,0,0,1,0,1|1,0,0]=3 74 B11R1.74 O=C1C[C@@H](C(=O)O)NC(=O)N1 HY-W015495 [0,1,0,1,0,0|1,1,0]=4 75 B11R1.178 CC(=O)N1CCC[C@@H]1C(=O)O HY-W017258 [0,1,0,1,0,0|1,0,0]=3 76 B11R1.178 CC(=O)N1CSCC1C(=O)O HY-112107 [0,1,0,1,0,0|0,0,0]=2 77 B11R1.167 CC1=NC[C@H](O)[C@@H](C(=O)O)N1 HY-108032 [0,1,0,1,0,0|1,1,0]=4 78 B7R0.16 CC(C(=O)O)C(=O)O HY-103395 [1,0,0,0,1,0|1,0,0]=3 79 B7R0.16 NC(C(=O)O)C(=O)O HY-112052 [1,0,0,0,1,0|2,0,0]=4 80 B9R0.7 CC(=O)OC[C@H](N)C(=O)O HY-101409 [1,0,0,0,0,1|2,0,0]=4 81 B9R0.7 CC(=O)OC[C@H](N)C(=O)O HY-101409A [1,0,0,0,0,1|2,0,0]=4 82 B9R0.7 CC(=O)OC[C@H](N)C(=O)O HY-101409R [1,0,0,0,0,1|2,0,0]=4 83 B9R0.7 CC(CCC(=O)O)C(=O)O HY-W017524 [1,0,0,0,0,1|2,0,0]=4 84 B9R0.7 C[C@H](NCC(=O)O)C(=O)O HY-W105634 [1,0,0,0,0,1|1,0,0]=3 85 B9R0.7 NC(=O)NC[C@H](N)C(=O)O HY-121167 [1,0,0,0,0,1|2,0,0]=4 86 B9R0.53 CC(CC(=O)O)CC(=O)O HY-113410 [1,0,0,0,0,1|2,0,0]=4