0 B9R0.39 CC(C)C[C@@H](CN)C(=O)O A43933 [0,0,0,0,0,0|3,0,1]=4 1 B9R0.39 CC(C)C[C@H](CN)C(=O)O A43932 [0,0,0,0,0,0|3,0,1]=4 2 B9R0.39 CC[C@@H](NC(C)=O)C(=O)O A41513 [0,0,0,0,0,0|1,0,0]=1 3 B8R0.23 CC(=O)C[C@H](C)C(=O)O M14719 [1,0,0,0,0,0|1,0,0]=2 4 B8R0.23 CC(=O)N[C@H](C)C(=O)O A68583 [1,0,0,0,0,0|0,0,0]=1 5 B8R0.23 CC(=O)O[C@@H](C)C(=O)O A64092 [1,0,0,0,0,0|1,0,0]=2 6 B8R0.23 CC(=O)O[C@H](C)C(=O)O A64091 [1,0,0,0,0,0|1,0,0]=2 7 B8R0.23 C[C@@H](CC(=O)O)C(=O)O M41232 [1,0,0,0,0,0|2,0,0]=3 8 B8R0.23 N[C@@H](CC(=O)O)C(=O)O A68901 [1,0,0,0,0,0|3,0,0]=4 9 B10R0.23 CNC[C@H](NC(C)=O)C(=O)O A41539 [0,1,0,0,0,0|1,0,0]=2 10 B10R0.54 CC[C@@H](NC(C)C)C(=O)OC M47178 [0,1,0,0,0,0|2,0,1]=4 11 B10R0.54 COC(=O)[C@H](CS)NC(C)=O M61866 [0,1,0,0,0,0|0,0,0]=1 12 B10R0.162 CC(=O)NC(C(=O)[O-])C(=O)[O-] S66942 [0,1,0,0,0,0|0,1,2]=4 13 B10R0.162 CC(=O)N[C@@H](C(=O)O)C(C)C A43853 [0,1,0,0,0,0|1,0,0]=2 14 B10R0.162 CC(=O)N[C@H](C(=O)O)C(C)C A63079 [0,1,0,0,0,0|1,0,0]=2 15 B10R0.162 CC(=O)O[C@@H](C(=O)O)C(C)C A65560 [0,1,0,0,0,0|2,0,0]=3 16 B10R1.64 CC(=O)O[C@H]1CCNC1=O X43385 [0,0,0,1,0,0|3,0,0]=4 17 B10R1.113 CC1CCCC(C(=O)O)N1 M43847 [0,0,0,1,0,0|2,0,1]=4 18 B10R1.113 O=C1CCC[C@@H](C(=O)O)N1 P69097 [0,0,0,1,0,0|1,0,0]=2 19 B10R1.113 O=C1CCC[C@H](C(=O)O)C1 X43724 [0,0,0,1,0,0|2,0,0]=3 20 B10R1.113 O=C1CCC[C@H](C(=O)O)N1 X63709 [0,0,0,1,0,0|1,0,0]=2 21 B10R1.113 O=C1C[C@@H](C(=O)O)CCN1 X1724 [0,0,0,1,0,0|3,0,0]=4 22 B10R1.359 O=C(O)[C@@H]1CCS(=O)(=O)N1 D13170 [0,0,0,1,0,0|3,0,0]=4 23 B10R1.361 CC(C)N1CC[C@H]1C(=O)O I29786 [0,0,0,1,0,0|2,0,1]=4 24 B10R1.361 O=C(O)[C@H]1CC[C@@H]1C(=O)O C13294 [0,0,0,1,0,0|3,0,0]=4 25 B10R1.361 O=C(O)[C@H]1CC[C@H]1C(=O)O C19976 [0,0,0,1,0,0|3,0,0]=4 26 B10R1.442 CC(=O)NC1(C(=O)O)CC1 A69335 [0,0,0,1,0,0|1,0,0]=2 27 B8R0.18 CC(C)[C@@H](CN)C(=O)O A41589 [0,0,0,0,1,0|2,0,1]=4 28 B8R0.18 CC(C)[C@H](CN)C(=O)O A41588 [0,0,0,0,1,0|2,0,1]=4 29 B7R0.15 O=C(O)C(CS)CS M67176 [2,0,0,0,0,0|0,1,1]=4 30 B7R0.6 CC(=O)CCC(C)=O H64912 [2,0,0,0,0,0|2,0,0]=4 31 B7R0.6 CC(=O)CNC(C)=O X41261 [2,0,0,0,0,0|1,0,0]=3 32 B7R0.6 NC(=O)CCC(=O)O A63078 [2,0,0,0,0,0|2,0,0]=4 33 B9R0.11 CC(=O)OC(C)(C)C(=O)Cl C38568 [1,1,0,0,0,0|2,0,0]=4 34 B9R0.11 CC(C)(CC(=O)O)C(=O)O D68876 [1,1,0,0,0,0|2,0,0]=4 35 B9R0.23 COC(=O)[C@@H](C)NC(C)=O M41515 [1,1,0,0,0,0|0,0,0]=2 36 B9R0.42 COC(=O)C[C@@H](C)C(=O)O M41477 [1,1,0,0,0,0|1,0,0]=3 37 B9R0.42 COC(=O)C[C@@H](N)C(=O)O A61919 [1,1,0,0,0,0|2,0,0]=4 38 B9R0.42 COC(=O)C[C@H](N)C(=O)O M60837 [1,1,0,0,0,0|2,0,0]=4 39 B9R0.54 CC(C)C(C(=O)O)C(=O)O P41476 [0,1,0,0,1,0|2,0,0]=4 40 B11R0.160 CCCC[C@H](NC(C)=O)C(=O)O A47128 [0,2,0,0,0,0|1,0,0]=3 41 B11R0.108 CC(C)[C@H](NC(=O)CN)C(=O)O A37756 [0,2,0,0,0,0|1,0,0]=3 42 B11R0.108 COC(=O)N[C@@H](C(=O)O)C(C)C M43859 [0,2,0,0,0,0|1,0,0]=3 43 B11R0.108 COC(=O)N[C@H](C(=O)O)C(C)C M60688 [0,2,0,0,0,0|1,0,0]=3 44 B9R1.6 O=C(O)[C@@H]1CCCCN1 P43440 [1,0,0,1,0,0|1,0,1]=4 45 B9R1.6 O=C(O)[C@@H]1CCCCN1 P43443 [1,0,0,1,0,0|1,0,1]=4 46 B9R1.6 O=C(O)[C@@H]1CNCCN1 P10721 [1,0,0,1,0,0|1,0,1]=4 47 B9R1.6 O=C(O)[C@@H]1CNCCN1 P11877 [1,0,0,1,0,0|1,0,1]=4 48 B9R1.6 O=C(O)[C@@H]1CNCCN1 P13373 [1,0,0,1,0,0|1,0,1]=4 49 B9R1.6 O=C(O)[C@@H]1CNCCN1 P41382 [1,0,0,1,0,0|1,0,1]=4 50 B9R1.6 O=C(O)[C@@H]1COCCN1 M15337 [1,0,0,1,0,0|0,1,1]=4 51 B9R1.6 O=C(O)[C@@H]1COCCN1 M17082 [1,0,0,1,0,0|0,1,1]=4 52 B9R1.6 O=C(O)[C@@H]1COCCN1 M31616 [1,0,0,1,0,0|0,1,1]=4 53 B9R1.6 O=C(O)[C@H]1CCCCN1 P28251 [1,0,0,1,0,0|1,0,1]=4 54 B9R1.6 O=C(O)[C@H]1CCCSC1 T1163 [1,0,0,1,0,0|1,0,1]=4 55 B9R1.6 O=C(O)[C@H]1CNCCN1 P10722 [1,0,0,1,0,0|1,0,1]=4 56 B9R1.6 O=C(O)[C@H]1CNCCN1 P11878 [1,0,0,1,0,0|1,0,1]=4 57 B9R1.6 O=C(O)[C@H]1COCCN1 M15338 [1,0,0,1,0,0|0,1,1]=4 58 B9R1.6 O=C(O)[C@H]1COCCN1 M41376 [1,0,0,1,0,0|0,1,1]=4 59 B9R1.35 C[C@@H]1CC[C@@H](C(=O)O)N1 M60259 [1,0,0,1,0,0|1,0,1]=4 60 B9R1.35 C[C@H]1CC[C@H](C(=O)O)N1 M60278 [1,0,0,1,0,0|1,0,1]=4 61 B9R1.35 NC1=N[C@H](C(=O)O)CS1 A61601 [1,0,0,1,0,0|1,0,1]=4 62 B9R1.35 O=C1CC[C@@H](C(=O)O)C1 X15326 [1,0,0,1,0,0|2,0,0]=4 63 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 X22343 [1,0,0,1,0,0|2,0,0]=4 64 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 X38776 [1,0,0,1,0,0|2,0,0]=4 65 B9R1.35 O=C1CC[C@@H](C(=O)O)S1 X10747 [1,0,0,1,0,0|2,0,0]=4 66 B9R1.35 O=C1CC[C@H](C(=O)O)C1 O7893 [1,0,0,1,0,0|2,0,0]=4 67 B9R1.35 O=C1CC[C@H](C(=O)O)C1 X15325 [1,0,0,1,0,0|2,0,0]=4 68 B9R1.35 O=C1CC[C@H](C(=O)O)O1 X37943 [1,0,0,1,0,0|2,0,0]=4 69 B9R1.35 O=C1C[C@H](C(=O)O)CN1 X13558 [1,0,0,1,0,0|2,0,0]=4 70 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O H13252 [1,0,0,1,0,0|0,1,1]=4 71 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O H23787 [1,0,0,1,0,0|0,1,1]=4 72 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O H27028 [1,0,0,1,0,0|0,1,1]=4 73 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O H27029 [1,0,0,1,0,0|0,1,1]=4 74 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O H13665 [1,0,0,1,0,0|0,1,1]=4 75 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O H27030 [1,0,0,1,0,0|0,1,1]=4 76 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O H14383 [1,0,0,1,0,0|0,1,1]=4 77 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O H27031 [1,0,0,1,0,0|0,1,1]=4 78 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O H13249 [1,0,0,1,0,0|0,1,1]=4 79 B9R1.96 CCN1CC[C@H]1C(=O)O E29784 [1,0,0,1,0,0|1,0,1]=4 80 B9R1.2 O=C1COC[C@H](CO)N1 H37541 [1,0,0,1,0,0|0,1,1]=4 81 B9R1.69 C[C@@H]1NC(=O)CNC1=O M65174 [1,0,0,1,0,0|1,0,0]=3 82 B9R1.152 C=C1CC(C)(C(=O)O)C1 M15409 [1,0,0,1,0,0|2,0,0]=4 83 B9R1.152 CC1(C(=O)O)CC(=O)C1 M11657 [1,0,0,1,0,0|1,0,0]=3 84 B9R1.161 NC(=O)C1CC1C(=O)O C29921 [1,0,0,1,0,0|2,0,0]=4 85 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O C29917 [1,0,0,1,0,0|2,0,0]=4 86 B9R1.161 O=C(O)[C@H]1C[C@H]1C(=O)O C29916 [1,0,0,1,0,0|2,0,0]=4 87 B9R1.168 O=C(O)C1(C(=O)O)CC1 C67461 [0,0,0,1,1,0|2,0,0]=4 88 B11R1.166 C[C@@H]1CC(=O)CC[C@H]1C(=O)O M59967 [0,0,0,1,0,1|2,0,0]=4 89 B11R1.166 C[C@H]1CC(=O)CC[C@H]1C(=O)O M60235 [0,0,0,1,0,1|2,0,0]=4 90 B11R1.74 O=C1CC(=O)CC(C(=O)O)C1 D62166 [0,1,0,1,0,0|1,1,0]=4 91 B11R1.178 CC(=O)N1CCC[C@@H]1C(=O)O A69064 [0,1,0,1,0,0|1,0,0]=3 92 B11R1.178 CC(=O)N1CSC[C@H]1C(=O)O A43391 [0,1,0,1,0,0|0,0,0]=2 93 B11R1.21 CN1CC[C@H](C(=O)O)CC1=O M0207 [0,1,0,1,0,0|2,0,0]=4 94 B11R1.167 CC(C)[C@@H]1NC(=O)CNC1=O P43791 [0,1,0,1,0,0|2,0,0]=4 95 B11R1.167 CC(C)[C@H]1NC(=O)CNC1=O P43793 [0,1,0,1,0,0|2,0,0]=4 96 B11R1.870 COC(=O)C1CCC1C(=O)O M60475 [0,1,0,1,0,0|2,0,0]=4 97 B11R1.870 COC(=O)[C@H]1CC[C@H]1C(=O)O M10820 [0,1,0,1,0,0|2,0,0]=4 98 B11R1.23 COC(=O)[C@@H]1CNCC(=O)N1 M41440 [0,1,0,1,0,0|1,0,0]=3 99 B11R1.23 COC(=O)[C@H]1CCCC(=O)C1 M47023 [0,1,0,1,0,0|2,0,0]=4 100 B9R0.7 CC(=O)OC[C@H](N)C(=O)O A41380 [1,0,0,0,0,1|2,0,0]=4 101 B9R0.7 C[C@H](CCC(=O)O)C(=O)O M62172 [1,0,0,0,0,1|2,0,0]=4