0 B7R0.2 CCC(N)CC(O)=O AK-45971 [1,0,0,0,0,0|3,0,0]=4 1 B7R0.2 CC[C@@H](N)CC(O)=O AK131267 [1,0,0,0,0,0|3,0,0]=4 2 B7R0.2 CC[C@H](N)CC(O)=O AK548217 [1,0,0,0,0,0|3,0,0]=4 3 B7R0.2 O=C(O)CC(OC)=O AK-77136 [1,0,0,0,0,0|1,0,2]=4 4 B7R0.2 O=C(OC)CC(N)=O AK127795 [1,0,0,0,0,0|1,0,2]=4 5 B9R0.26 O=C(OC)CC(OC)OC AK116970 [0,1,0,0,0,0|0,0,0]=1 6 B9R0.63 COP(=O)(CC(C)=O)OC AK101149 [0,1,0,0,0,0|1,0,0]=2 7 B9R1.13 O=C(O)CC1CCCC1 AK-44360 [0,0,0,1,0,0|3,0,0]=4 8 B9R1.13 O=C(O)C[C@@H]1NCCC1 AK-80502 [0,0,0,1,0,0|3,0,0]=4 9 B9R1.13 O=C(O)C[C@H]1NCCC1 AK-80500 [0,0,0,1,0,0|3,0,0]=4 10 B9R1.13 [C@@H]1(CC(O)=O)CCCN1 AK-68480 [0,0,0,1,0,0|3,0,0]=4 11 B7R0.15 CC(N(CC)CC)=O AK105973 [0,0,0,0,1,0|3,0,0]=4 12 B7R0.15 CCC(CC)C([O-])=O AK161891 [0,0,0,0,1,0|3,0,0]=4 13 B6R0.2 C(C(=O)O)N(C)C AK-41194 [2,0,0,0,0,0|2,0,0]=4 14 B6R0.2 CC(NC(C)C)=O AK-86542 [2,0,0,0,0,0|1,0,0]=3 15 B6R0.2 C[C@@H](N)CC(O)=O AK-44656 [2,0,0,0,0,0|2,0,0]=4 16 B6R0.2 C[C@@H](N)CC(O)=O AK112818 [2,0,0,0,0,0|2,0,0]=4 17 B6R0.2 C[C@@H](O)CC(O)=O AK-89074 [2,0,0,0,0,0|1,0,0]=3 18 B6R0.2 C[C@@H](O)CC([O-])=O AK-51650 [2,0,0,0,0,0|1,0,0]=3 19 B6R0.2 C[C@H](N)CC(O)=O AK-34921 [2,0,0,0,0,0|2,0,0]=4 20 B6R0.2 C[C@H](N)CC(O)=O AK-75919 [2,0,0,0,0,0|2,0,0]=4 21 B6R0.2 NC(C)CC(C)C AK205814 [2,0,0,0,0,0|1,0,1]=4 22 B6R0.2 O=C([O-])C[S+](C)C AK543883 [2,0,0,0,0,0|2,0,0]=4 23 B6R0.4 CC(CCCCl)=O AK-48368 [2,0,0,0,0,0|2,0,0]=4 24 B6R0.4 CCCCC([O-])=O AK163205 [2,0,0,0,0,0|2,0,0]=4 25 B6R0.4 O=C(O)CCNC AK155866 [2,0,0,0,0,0|2,0,0]=4 26 B6R0.4 O=C(O)CCOC AK-88477 [2,0,0,0,0,0|1,0,0]=3 27 B6R0.9 COC(OC)C=O AK-65152 [2,0,0,0,0,0|0,0,0]=2 28 B8R0.2 CC(C(N)C(OC)=O)=O AK100204 [1,1,0,0,0,0|0,0,2]=4 29 B8R0.2 CC[C@H](C)[C@@H](N)C(O)=O AK-72869 [1,1,0,0,0,0|2,0,0]=4 30 B8R0.2 CC[C@H](C)[C@H](N)C(N)=O AK-41239 [1,1,0,0,0,0|2,0,0]=4 31 B8R0.2 N[C@@H]([C@@H](C)CC)C(O)=O AK-50075 [1,1,0,0,0,0|2,0,0]=4 32 B8R0.2 N[C@@H]([C@H](OC)C)C(O)=O AK-41699 [1,1,0,0,0,0|1,0,0]=3 33 B8R0.19 CCC(=O)CC(=O)OC AK-53853 [1,1,0,0,0,0|0,0,2]=4 34 B8R0.19 CC[C@H](N)CC(OC)=O AK608037 [1,1,0,0,0,0|2,0,0]=4 35 B8R0.11 COC(OC)CCCCl AK106086 [1,1,0,0,0,0|0,0,1]=3 36 B8R0.11 N#CCCC(OC)OC AK-44411 [1,1,0,0,0,0|0,0,2]=4 37 B8R0.20 O=C(OC)C(OC)OC AK-47134 [1,1,0,0,0,0|1,0,1]=4 38 B10R0.79 CCOC(OCC)CN(C)C AK-64470 [0,2,0,0,0,0|2,0,0]=4 39 B10R0.134 O=C(OC)CP(OC)(OC)=O AK-91621 [0,2,0,0,0,0|1,0,0]=3 40 B8R1.4 O=C1CC(C)NCC1 AK-45778 [1,0,0,1,0,0|1,0,0]=3 41 B8R1.4 O=C1NCCC(O)C1 AK-27778 [1,0,0,1,0,0|2,0,0]=4 42 B8R1.4 O=C1NCC[C@H](O)C1 AK-86160 [1,0,0,1,0,0|2,0,0]=4 43 B8R1.34 O=C(O)CC1CCC1 AK-76669 [1,0,0,1,0,0|2,0,0]=4 44 B8R1.2 C1C(OCCC1)ON AK-26246 [1,0,0,1,0,0|1,0,1]=4 45 B8R1.8 C(C1OCCO1)CBr AK-46571 [1,0,0,1,0,0|1,0,1]=4 46 B8R1.7 CC(C1SCCN1)=O AK163728 [0,0,0,1,1,0|1,1,0]=4 47 B8R1.7 O1CCC[C@@H]1C(=O)O AK-50525 [0,0,0,1,1,0|2,0,0]=4 48 B8R1.7 O1CCC[C@H]1C(=O)O AK-36642 [0,0,0,1,1,0|2,0,0]=4 49 B8R1.7 OC(=O)C1CCCO1 AK-60899 [0,0,0,1,1,0|2,0,0]=4 50 B10R1.66 O=C(O)CCC1OCCO1 AK122521 [0,0,0,1,0,1|1,0,0]=3 51 B10R1.10 O=C1CC(CCC)NCC1 AK129486 [0,1,0,1,0,0|2,0,0]=4 52 B10R1.18 O=C(O)CC1NCCOC1 AK-65808 [0,1,0,1,0,0|2,0,0]=4 53 B10R1.18 O=C(O)CC1OCCOC1 AK141848 [0,1,0,1,0,0|1,0,0]=3 54 B10R1.18 O=C(O)C[C@@H]1CNCCO1 AK146348 [0,1,0,1,0,0|2,0,0]=4 55 B10R1.18 O=C(O)C[C@H]1CNCCO1 AK142872 [0,1,0,1,0,0|2,0,0]=4 56 B10R1.27 O=C(OC)C[C@@H]1NCCC1 AK144146 [0,1,0,1,0,0|2,0,0]=4 57 B10R1.27 O=C(OC)C[C@H]1NCCC1 AK-86767 [0,1,0,1,0,0|2,0,0]=4 58 B10R1.491 ICC1CC(C1)(OC)OC AK-37794 [0,1,0,1,0,0|1,0,1]=4 59 B10R2.62 O=C1C2CCC(CC2)C1 AK144709 [0,0,0,2,0,0|2,0,0]=4 60 B10R2.71 O=C1CC2CC(CC2)C1 AK165360 [0,0,0,2,0,0|2,0,0]=4 61 B10R2.71 O=C1CC2NC(CC2)C1 AK-44611 [0,0,0,2,0,0|2,0,0]=4 62 B6R0.3 CC(N(CC)C)=O AK149250 [1,0,0,0,1,0|2,0,0]=4 63 B6R0.3 CC[C@@H](C)C(O)=O AK-77439 [1,0,0,0,1,0|2,0,0]=4 64 B6R0.3 CC[C@H](O)C(O)=O AK-34732 [1,0,0,0,1,0|2,0,0]=4 65 B6R0.3 COC(C)C(O)=O AK-49797 [1,0,0,0,1,0|1,0,0]=3 66 B6R0.3 C[C@@H](NC)C(O)=O AK-81255 [1,0,0,0,1,0|2,0,0]=4 67 B6R0.3 C[C@H](NC)C(O)=O AK134597 [1,0,0,0,1,0|2,0,0]=4 68 B6R0.3 C[C@H](OC)C(O)=O AK167072 [1,0,0,0,1,0|1,0,0]=3