0 B9R1.35 CC1CNC(C(=O)O)C1 M7325 [1,0,0,0,0,0|2,0,1]=4 1 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 H2190 [1,0,0,0,0,0|1,0,2]=4 2 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 H2190 [1,0,0,0,0,0|1,0,2]=4 3 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 H12478 [1,0,0,0,0,0|1,0,2]=4 4 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 H12478 [1,0,0,0,0,0|1,0,2]=4 5 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 H7112 [1,0,0,0,0,0|1,0,2]=4 6 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 A2497 [1,0,0,0,0,0|1,0,2]=4 7 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 A2497 [1,0,0,0,0,0|1,0,2]=4 8 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 H7114 [1,0,0,0,0,0|1,0,2]=4 9 B9R1.35 O=C1CCC(C(=O)O)N1 P19419 [1,0,0,0,0,0|1,0,0]=2 10 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 P2914 [1,0,0,0,0,0|1,0,0]=2 11 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 P2914 [1,0,0,0,0,0|1,0,0]=2 12 B9R1.35 O=C1N[C@H](C(=O)O)CS1 O5524 [1,0,0,0,0,0|2,0,0]=3 13 B9R1.41 CC1CNCC1C(=O)O M13281 [1,0,0,0,0,0|1,0,1]=3 14 B9R1.41 NC1CCCC1C(=O)O A14514 [1,0,0,0,0,0|1,0,1]=3 15 B9R1.41 NC1CNCC1C(=O)O A13448 [1,0,0,0,0,0|2,0,1]=4 16 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O A3768 [1,0,0,0,0,0|1,0,1]=3 17 B9R0.13 CCCCC(CC)C(=O)[O-] S7723 [0,0,1,0,0,0|1,0,2]=4 18 B9R0.23 COC(=O)[C@@H](N)CC(=O)O A6325 [0,0,1,0,0,0|2,0,0]=3 19 B9R0.79 O=C(O)C(O)C(O)C(=O)O D7389 [0,0,1,0,0,0|3,0,0]=4 20 B9R0.79 O=C(O)C(S)C(S)C(=O)O D1120 [0,0,1,0,0,0|3,0,0]=4 21 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O M5642 [0,0,1,0,0,0|3,0,0]=4 22 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O D5955 [0,0,1,0,0,0|3,0,0]=4 23 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O M11272 [0,0,1,0,0,0|3,0,0]=4 24 B9R0.79 O=C(O)[C@H](S)[C@H](S)C(=O)O D6020 [0,0,1,0,0,0|3,0,0]=4 25 B8R0.28 C=C(Cl)CCCC(=O)O C15670 [1,0,1,0,0,0|1,0,1]=4 26 B8R0.28 O=C(O)CCCC(=O)O G18793 [1,0,1,0,0,0|1,0,0]=3 27 B8R0.5 CCCC(N)CC(=O)O A14453 [1,0,1,0,0,0|1,0,1]=4 28 B8R0.9 NCC(=O)CCC(=O)O A4094 [1,0,1,0,0,0|1,0,0]=3 29 B8R0.9 NCC(=O)CCC(=O)O A4094 [1,0,1,0,0,0|1,0,0]=3 30 B8R0.9 NCC(=O)NCC(=O)O G0812 [1,0,1,0,0,0|2,0,0]=4 31 B8R0.23 C=C(C)C(N)CC(=O)O A14655 [1,0,1,0,0,0|2,0,0]=4 32 B8R0.23 CC(=O)C(N)CC(=O)O A14659 [1,0,1,0,0,0|1,0,0]=3 33 B8R0.23 CC(=O)O[C@@H](C)C(=O)O A18048 [1,0,1,0,0,0|1,0,0]=3 34 B8R0.23 NC(=O)C[C@H](N)C(=O)O A6288 [1,0,1,0,0,0|2,0,0]=4 35 B8R0.23 N[C@H](CC(=O)O)C(=O)O A6088 [1,0,1,0,0,0|2,0,0]=4 36 B8R0.23 O=C(O)C[C@@H](O)C(=O)O M11009 [1,0,1,0,0,0|2,0,0]=4 37 B8R0.23 O=C(O)C[C@H](Br)C(=O)O B8880 [1,0,1,0,0,0|2,0,0]=4 38 B8R0.23 O=C(O)C[C@H](Br)C(=O)O B8880 [1,0,1,0,0,0|2,0,0]=4 39 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O A6306 [1,0,1,0,0,0|1,0,1]=4 40 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O H12777 [1,0,1,0,0,0|1,0,1]=4 41 B8R1.1 O=C1CC[C@@H](CO)N1 H12661 [2,0,0,0,0,0|1,0,1]=4 42 B8R1.1 O=C1CC[C@@H](CO)N1 H12661 [2,0,0,0,0,0|1,0,1]=4 43 B8R1.7 O=C(O)C1CC=CC1 C3045 [2,0,0,0,0,0|0,0,1]=3 44 B8R1.7 O=C(O)C1CCCN1 P6294 [2,0,0,0,0,0|1,0,1]=4 45 B8R1.7 O=C(O)C1CCNC1 P12835 [2,0,0,0,0,0|1,0,0]=3 46 B8R1.7 O=C(O)C1CCOC1 T15197 [2,0,0,0,0,0|1,0,0]=3 47 B8R1.7 O=C(O)[C@@H]1CCCO1 T3062 [2,0,0,0,0,0|1,0,1]=4 48 B8R1.7 O=C(O)[C@@H]1CSCN1 T17736 [2,0,0,0,0,0|2,0,0]=4 49 B8R1.7 O=C(O)[C@H]1CCCN1 P0396 [2,0,0,0,0,0|1,0,1]=4 50 B8R1.7 O=C(O)[C@H]1CCCN1 P0396 [2,0,0,0,0,0|1,0,1]=4 51 B8R1.7 O=C(O)[C@H]1CCCO1 T6625 [2,0,0,0,0,0|1,0,1]=4 52 B8R1.7 O=C(O)[C@H]1CCCO1 T6625 [2,0,0,0,0,0|1,0,1]=4 53 B10R0.57 COC(=O)[C@@H](N)CCC(=O)O G6326 [0,1,1,0,0,0|1,0,0]=3 54 B10R0.57 COC(=O)[C@@H](N)CCC(N)=O G8874 [0,1,1,0,0,0|2,0,0]=4 55 B10R0.57 COC(=O)[C@H](N)CCC(N)=O G8875 [0,1,1,0,0,0|2,0,0]=4 56 B10R0.59 COC(=O)CNCC(=O)OC D8917 [0,1,1,0,0,0|2,0,0]=4 57 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 P6314 [1,1,0,0,0,0|1,0,0]=3 58 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 P6314 [1,1,0,0,0,0|1,0,0]=3 59 B10R1.14 COC(=O)[C@H]1CCC(=O)N1 P7358 [1,1,0,0,0,0|1,0,0]=3 60 B10R1.39 O=C(O)C1CNCC1CO H14025 [1,1,0,0,0,0|1,0,1]=4 61 B10R1.128 CC1(C)CNCC1C(=O)O D13757 [1,1,0,0,0,0|1,0,1]=4 62 B10R1.13 CN1CCC(C(=O)O)CC1 M5365 [0,0,1,1,0,0|2,0,0]=4 63 B10R1.13 NC1CCC(C(=O)O)CC1 A15458 [0,0,1,1,0,0|1,0,1]=4 64 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 A18113 [0,0,1,1,0,0|1,0,1]=4 65 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 A18113 [0,0,1,1,0,0|1,0,1]=4 66 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 A18114 [0,0,1,1,0,0|1,0,1]=4 67 B10R1.13 O=C(O)C1CCC(O)CC1 H0233 [0,0,1,1,0,0|0,0,2]=4 68 B10R1.54 O=C(O)CN1CCC(=O)C1 O15897 [0,0,1,1,0,0|1,0,0]=3 69 B10R1.61 CC1CNCCC1C(=O)O M12883 [0,0,1,1,0,0|2,0,0]=4 70 B10R1.64 CC1CCCC1CC(=O)O M13870 [0,0,1,1,0,0|1,0,1]=4 71 B10R1.64 NC1CCCC1CC(=O)O A12909 [0,0,1,1,0,0|1,0,1]=4 72 B8R1.23 O=C1CC(C(=O)O)C1 O11072 [1,0,0,0,1,0|0,0,0]=2 73 B10R1.113 O=C(O)C1CNCC(O)C1 H13087 [1,0,0,0,0,1|0,0,2]=4 74 B10R1.113 O=C1CCCC(C(=O)O)N1 O14392 [1,0,0,0,0,1|1,0,0]=3