0 B8R0.23 C(=O)([C@@H](NC(=O)C)C)O AK-44154 [0,0,0,0,0,0|2,0,0]=2 1 B8R0.23 C[C@@H](NC(C)=O)C(O)=O AK-80484 [0,0,0,0,0,0|2,0,0]=2 2 B8R0.23 NC(CC(N)=O)C(O)=O AK-44638 [0,0,0,0,0,0|4,0,0]=4 3 B8R0.23 N[C@@H](CC(O)=O)C(O)=O AK-81235 [0,0,0,0,0,0|4,0,0]=4 4 B8R0.23 N[C@H](CC(N)=O)C(=O)O AK-54079 [0,0,0,0,0,0|4,0,0]=4 5 B8R0.23 N[C@H](CC(O)=O)C(O)=O AK-47468 [0,0,0,0,0,0|4,0,0]=4 6 B8R0.23 O=C(O)C(C)CC(O)=O AK114636 [0,0,0,0,0,0|3,0,0]=3 7 B8R0.23 O=C(O)[C@@H](N)CC(N)=O AK143332 [0,0,0,0,0,0|4,0,0]=4 8 B8R0.23 O=C(O)[C@@H](O)CC(O)=O AK-77850 [0,0,0,0,0,0|4,0,0]=4 9 B8R0.23 O=C(O)[C@H](O)CC(O)=O AK-88657 [0,0,0,0,0,0|4,0,0]=4 10 B7R0.6 C(C(C)=O)CC(O)=O AK-73018 [1,0,0,0,0,0|2,0,0]=3 11 B7R0.6 CC(=O)NCC(O)=O AK-49883 [1,0,0,0,0,0|2,0,0]=3 12 B7R0.6 O=C([O-])CCC([O-])=O AK397848 [1,0,0,0,0,0|3,0,0]=4 13 B9R0.11 C(C(C(O)=O)(C)C)C(O)=O AK-47302 [0,1,0,0,0,0|3,0,0]=4 14 B9R0.11 CC(OC(C)(C)C(Cl)=O)=O AK109322 [0,1,0,0,0,0|1,0,0]=2 15 B9R0.23 CN(CC(C(CC)=O)C)C AK-35427 [0,1,0,0,0,0|3,0,0]=4 16 B9R0.23 C[C@@H](NC(C)=O)C(OC)=O AK-80485 [0,1,0,0,0,0|1,0,0]=2 17 B9R0.23 C[C@H](NC(C)=O)C(OC)=O AK-80482 [0,1,0,0,0,0|1,0,0]=2 18 B9R0.23 O=C(O)CC(N)C(OC)=O AK162672 [0,1,0,0,0,0|3,0,0]=4 19 B9R0.23 O=C(O)C[C@H](N)C(OC)=O AK-41500 [0,1,0,0,0,0|3,0,0]=4 20 B9R0.39 CCC(NC(C)=O)C(O)=O AK170144 [0,1,0,0,0,0|2,0,0]=3 21 B9R0.39 CC[C@@H](NC(C)=O)C(O)=O AK-87748 [0,1,0,0,0,0|2,0,0]=3 22 B9R0.39 N([C@H](CC(=O)O)C(=O)O)C AK-44365 [0,1,0,0,0,0|3,0,0]=4 23 B9R0.39 O=C(O)CC(C(O)=O)NC AK-47942 [0,1,0,0,0,0|3,0,0]=4 24 B9R0.39 SC[C@@H](C(O)=O)NC(C)=O AK-46577 [0,1,0,0,0,0|2,0,0]=3 25 B9R0.42 CCC(OC(Cl)C(C)C)=O AK-80455 [0,1,0,0,0,0|2,0,1]=4 26 B9R0.42 O=C(O)C(N)CC(OC)=O AK109363 [0,1,0,0,0,0|3,0,0]=4 27 B9R0.42 O=C(O)[C@@H](N)CC(OC)=O AK-48824 [0,1,0,0,0,0|3,0,0]=4 28 B9R0.42 O=C(O)[C@H](C)CC(OC)=O AK-93758 [0,1,0,0,0,0|2,0,0]=3 29 B9R0.42 O=C(O)[C@H](N)CC(OC)=O AK112678 [0,1,0,0,0,0|3,0,0]=4 30 B9R0.42 [C@@H](N)(CC(=O)OC)C(O)=O AK-43922 [0,1,0,0,0,0|3,0,0]=4 31 B9R1.35 CC(=O)C1=CC=C(C)O1 AK-77189 [0,0,0,1,0,0|1,0,2]=4 32 B9R1.35 O=C(C1CC(NC1)=O)N AK-42143 [0,0,0,1,0,0|3,0,0]=4 33 B9R1.35 O=C(C1CCC(N1)=O)O AK-41431 [0,0,0,1,0,0|2,0,0]=3 34 B9R1.35 O=C(C1CCC(O1)=O)O AK154758 [0,0,0,1,0,0|1,0,0]=2 35 B9R1.35 O=C([C@@H]1CC(CC1)=O)O AK100868 [0,0,0,1,0,0|2,0,0]=3 36 B9R1.35 O=C([C@@H]1CCC(N1)=O)O AK-61177 [0,0,0,1,0,0|2,0,0]=3 37 B9R1.35 O=C([C@H]1CC(CC1)=O)O AK-99964 [0,0,0,1,0,0|2,0,0]=3 38 B9R1.35 O=C([C@H]1CCC(N1)=O)O AK-46027 [0,0,0,1,0,0|2,0,0]=3 39 B9R1.35 O=C([C@H]1CCC(O1)=O)O AK-39191 [0,0,0,1,0,0|1,0,0]=2 40 B9R1.35 O=C([C@H]1NC(SC1)=O)O AK-30315 [0,0,0,1,0,0|3,0,0]=4 41 B9R1.35 O=C1CC(CC1)C(=O)O AK-31826 [0,0,0,1,0,0|2,0,0]=3 42 B9R1.35 O=C1CN(C(C)=O)CC1 AK159618 [0,0,0,1,0,0|2,0,0]=3 43 B9R1.69 O=C1C(C)CN(C)CC1 AK-31130 [0,0,0,1,0,0|3,0,0]=4 44 B7R0.16 CC(C)C(C)C(O)=O AK-78535 [0,0,0,0,1,0|2,0,1]=4 45 B7R0.16 C[C@H](N(C)C)C(O)=O AK130686 [0,0,0,0,1,0|3,0,0]=4 46 B7R0.16 NC(C(O)=O)C(O)=O AK-49231 [0,0,0,0,1,0|3,0,0]=4 47 B7R0.16 O=C(C(C(N)=O)N)N AK-48787 [0,0,0,0,1,0|3,0,0]=4 48 B9R0.7 C[C@H](NCC(O)=O)C(O)=O AK146172 [0,0,0,0,0,1|3,0,0]=4 49 B9R0.7 O=C(O)[C@@H](N)COC(C)=O AK124368 [0,0,0,0,0,1|2,0,0]=3 50 B6R0.2 CC(NC(C)C)=O AK-86542 [2,0,0,0,0,0|1,0,0]=3 51 B6R0.4 CC(OCCBr)=O AK165045 [2,0,0,0,0,0|1,0,1]=4 52 B6R0.4 NC(OCCC)=O AK116320 [2,0,0,0,0,0|1,0,1]=4 53 B6R0.3 CC(N(CC)C)=O AK149250 [2,0,0,0,0,0|1,0,1]=4 54 B6R0.3 CC[C@@H](C)C(O)=O AK-77439 [2,0,0,0,0,0|1,0,1]=4 55 B6R0.3 COC(C)C(O)=O AK-49797 [2,0,0,0,0,0|1,0,0]=3 56 B6R0.3 C[C@@H](NC)C(O)=O AK-81255 [2,0,0,0,0,0|2,0,0]=4 57 B6R0.3 C[C@H](NC)C(O)=O AK134597 [2,0,0,0,0,0|2,0,0]=4 58 B6R0.3 C[C@H](OC)C(O)=O AK167072 [2,0,0,0,0,0|1,0,0]=3 59 B8R0.9 C(C(OC)=O)CC(O)=O AK-47290 [1,1,0,0,0,0|2,0,0]=4 60 B8R0.9 O=C(O)CCC(CN)=O AK-30504 [1,1,0,0,0,0|2,0,0]=4 61 B8R0.9 O=C(O)CNC(CN)=O AK-46058 [1,1,0,0,0,0|2,0,0]=4 62 B8R0.9 O=C(O)CNC(OC)=O AK158445 [1,1,0,0,0,0|2,0,0]=4 63 B8R0.37 CC(C(O)=O)(C(O)=O)C AK-46713 [0,1,0,0,1,0|2,0,0]=4 64 B8R0.37 O=C(N)C(C)(C)C(N)=O AK554512 [0,1,0,0,1,0|2,0,0]=4 65 B10R0.13 C[C@@H](OC(C)=O)[C@H](N)C(O)=O AK-59968 [0,1,0,0,0,1|2,0,0]=4 66 B10R0.57 C=C(COC(C)=O)C(OC)=O AK-54587 [0,1,0,0,0,1|0,0,2]=4 67 B10R0.141 O=C(O)CC(C)(C)C(OC)=O AK-48155 [0,2,0,0,0,0|2,0,0]=4 68 B10R0.46 C([C@@H](O)CC(=O)OC)(=O)OC AK-50385 [0,2,0,0,0,0|2,0,0]=4 69 B10R0.46 N[C@@H](CC(OC)=O)C(OC)=O AK-41631 [0,2,0,0,0,0|2,0,0]=4 70 B10R0.46 O=C(OC)C(N)CC(OC)=O AK170024 [0,2,0,0,0,0|2,0,0]=4 71 B10R0.46 O=C(OC)[C@H](Br)CC(OC)=O AK-43703 [0,2,0,0,0,0|2,0,0]=4 72 B10R0.46 O=C(OC)[C@H](N)CC(OC)=O AK-50044 [0,2,0,0,0,0|2,0,0]=4 73 B10R0.54 O=C(OC)C(NC(C)=O)CCl AK-33852 [0,2,0,0,0,0|1,0,0]=3 74 B10R0.23 O=C(O)C(CNC)NC(C)=O AK434815 [0,2,0,0,0,0|2,0,0]=4 75 B10R0.162 [C@H](NC(C)=O)(C(C)C)C(=O)O AK-47407 [0,2,0,0,0,0|2,0,0]=4 76 B8R1.4 O=C1CC(C)NCC1 AK-45778 [1,0,0,1,0,0|2,0,0]=4 77 B8R1.18 CC1=C(OC(O1)=O)C AK-49114 [1,0,0,1,0,0|1,0,1]=4 78 B8R1.18 O=C1C(C)CC(O1)=O AK113612 [1,0,0,1,0,0|2,0,0]=4 79 B8R1.18 O=C1N[C@@H](C)C(O1)=O AK109319 [1,0,0,1,0,0|2,0,0]=4 80 B8R1.18 O=C1OC(O)C(C)=C1 AK-59834 [1,0,0,1,0,0|1,0,1]=4 81 B8R1.34 CC(OC1CNC1)=O AK-71497 [1,0,0,1,0,0|1,0,1]=4 82 B8R1.34 CC(OC1CNC1)=O AK208566 [1,0,0,1,0,0|1,0,1]=4 83 B8R1.5 O=C1C(C)CNCC1 AK-35717 [1,0,0,1,0,0|2,0,0]=4 84 B8R1.5 O=C1C(C)CNCC1 AK-44679 [1,0,0,1,0,0|2,0,0]=4 85 B8R1.7 O1CCC[C@@H]1C(=O)O AK-50525 [1,0,0,1,0,0|1,0,1]=4 86 B8R1.7 O1CCC[C@H]1C(=O)O AK-36642 [1,0,0,1,0,0|1,0,1]=4 87 B8R1.7 OC(=O)C1CCCO1 AK-60899 [1,0,0,1,0,0|1,0,1]=4 88 B8R1.23 O=C(C1CC(N1)=O)O AK-40842 [1,0,0,1,0,0|2,0,0]=4 89 B8R1.23 O=C1CC(C1)C(=O)O AK-25641 [1,0,0,1,0,0|2,0,0]=4 90 B8R1.78 CC(C1(C)COC1)=O AK136600 [1,0,0,1,0,0|2,0,0]=4 91 B8R1.3 O=C1CCC(=O)CC1 AK-47423 [1,0,0,1,0,0|1,0,0]=3 92 B8R1.50 CC1C(CCC1=O)=O AK-50538 [0,0,0,1,1,0|0,0,0]=2 93 B8R1.50 CN1C(=O)CSC1=O AK-63992 [0,0,0,1,1,0|2,0,0]=4 94 B8R1.50 O=C1CCC(N1I)=O AK-76663 [0,0,0,1,1,0|2,0,0]=4 95 B8R1.50 O=C1CCC(N1O)=O AK-94009 [0,0,0,1,1,0|2,0,0]=4 96 B10R1.13 CC(=O)N1CCC(=O)CC1 AK-34678 [0,0,0,1,0,1|2,0,0]=4 97 B10R1.13 CC1=CCC(C(C)=O)CC1 AK-49974 [0,0,0,1,0,1|2,0,0]=4 98 B10R1.13 NC(=O)C1CCC(=O)CC1 AK-89999 [0,0,0,1,0,1|2,0,0]=4 99 B10R1.13 O=C(C1CCC(CC1)=O)O AK107691 [0,0,0,1,0,1|2,0,0]=4 100 B10R1.349 O=C(C1CN(C(C)=O)C1)O AK209013 [0,0,0,1,0,1|2,0,0]=4 101 B10R1.14 COC(C1NC(=O)CC1)=O AK-46671 [0,1,0,1,0,0|1,0,0]=3 102 B10R1.14 O=C(C1CC(CC1)=O)OC AK-39983 [0,1,0,1,0,0|1,0,0]=3 103 B10R1.14 O=C(C1CC(NC1)=O)OC AK-27649 [0,1,0,1,0,0|2,0,0]=4 104 B10R1.14 O=C([C@@H]1NC(OC1)=O)OC AK117840 [0,1,0,1,0,0|2,0,0]=4 105 B10R1.14 O=C([C@H]1CCC(N1)=O)OC AK-41780 [0,1,0,1,0,0|1,0,0]=3 106 B10R1.14 O=C1N[C@H](C(OC)=O)CC1 AK-27009 [0,1,0,1,0,0|1,0,0]=3 107 B10R1.64 CC(OC1C(NCC1)=O)=O AK146052 [0,1,0,1,0,0|0,0,0]=2 108 B10R1.194 O=C(O)[C@H]1CCC(N1C)=O AK677593 [0,1,0,1,0,0|2,0,0]=4 109 B10R1.194 O=C([C@@H]1CCC(N1C)=O)O AK159732 [0,1,0,1,0,0|2,0,0]=4 110 B10R1.113 O=C(C1CC(NCC1)=O)O AK-51685 [0,1,0,1,0,0|2,0,0]=4 111 B10R1.113 O=C1N[C@H]([C@@](O)=O)CCC1 AK-44820 [0,1,0,1,0,0|2,0,0]=4 112 B10R1.113 OC(=O)C1CCCC(=O)C1 AK-64002 [0,1,0,1,0,0|2,0,0]=4 113 B10R1.118 O=C1[C@@H](C)OC([C@H](O1)C)=O AK-57455 [0,1,0,1,0,0|1,0,0]=3 114 B8R0.28 CC(OCOC(C)=O)=O AK112071 [1,0,0,0,0,1|0,0,0]=2