0 B8R0.23 CC(CC(=O)Cl)C(=O)Cl E091 [0,0,0,0,0,0|3,0,0]=3 1 B8R0.23 NC(CC(=O)[O-])C(=O)[O-] U199 [0,0,0,0,0,0|1,0,1]=2 2 B8R0.23 NC(CC(=O)[O-])C(=O)[O-] V1608 [0,0,0,0,0,0|1,0,1]=2 3 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] R742 [0,0,0,0,0,0|1,0,1]=2 4 B8R0.23 O=C([O-])CC(O)C(=O)[O-] 7157AF [0,0,0,0,0,0|2,0,1]=3 5 B7R0.2 N[C@@H](CO)CC(=O)O 4626AA [1,0,0,0,0,0|1,0,1]=3 6 B7R0.5 CNC[C@H](N)C(=O)O Q369 [1,0,0,0,0,0|2,0,0]=3 7 B7R0.5 C[Se]C[C@H](N)C(=O)O 2218AB [1,0,0,0,0,0|2,0,0]=3 8 B7R0.5 NC(CCBr)C(=O)O 0872AA [1,0,0,0,0,0|1,0,1]=3 9 B7R0.5 N[C@@H](CCO)C(=O)O 0148AB [1,0,0,0,0,0|0,0,2]=3 10 B7R0.6 NC(=O)\C=C/C(N)=O 8173AL [1,0,0,0,0,0|1,0,2]=4 11 B7R0.6 O=C(O)CCC(=O)O 9603AL [1,0,0,0,0,0|1,0,0]=2 12 B7R0.6 O=C(O)\C=C/C(=O)O O758 [1,0,0,0,0,0|1,0,2]=4 13 B7R0.6 O=C(O)\N=N\C(=O)O 0987AP [1,0,0,0,0,0|3,0,0]=4 14 B7R0.6 O=C([O-])CCC(=O)O 7180AF [1,0,0,0,0,0|1,0,0]=2 15 B7R0.6 O=C([O-])CCC(=O)O V1664 [1,0,0,0,0,0|1,0,0]=2 16 B7R0.6 O=C([O-])CCC(=O)[O-] 7155AF [1,0,0,0,0,0|1,0,1]=3 17 B7R0.6 O=C([O-])CCC(=O)[O-] V1658 [1,0,0,0,0,0|1,0,1]=3 18 B7R0.6 O=C([O-])\C=C\C(=O)O O999 [1,0,0,0,0,0|1,0,2]=4 19 B9R0.11 C[C@@](N)(CC(=O)O)C(=O)O 0587AP [0,1,0,0,0,0|1,0,0]=2 20 B9R0.11 C[C@](N)(CC(=O)O)C(=O)O 0584AP [0,1,0,0,0,0|1,0,0]=2 21 B9R0.11 C[C@](O)(CC(=O)O)C(=O)O 9397AB [0,1,0,0,0,0|2,0,0]=3 22 B9R0.39 CN[C@H](CC(=O)O)C(=O)O 2589AH [0,1,0,0,0,0|1,0,0]=2 23 B9R0.79 CC(C(=O)O)[C@@H](N)C(=O)O 5973AB [0,1,0,0,0,0|1,0,0]=2 24 B9R0.79 CC(C)[C@H](O)[C@@H](N)C(=O)O Q390 [0,1,0,0,0,0|2,0,1]=4 25 B9R0.79 NC(C(=O)O)C(N)C(=O)O E645 [0,1,0,0,0,0|1,0,0]=2 26 B9R0.79 NC(C(=O)O)C(N)C(=O)O Z5348 [0,1,0,0,0,0|1,0,0]=2 27 B9R0.79 N[C@H](C(=O)O)[C@@H](N)C(=O)O 1525AB [0,1,0,0,0,0|1,0,0]=2 28 B9R0.79 O=C(O)C(O)C(O)C(=O)O V0484 [0,1,0,0,0,0|2,0,0]=3 29 B9R0.79 O=C(O)C(S)C(S)C(=O)O 9660AJ [0,1,0,0,0,0|2,0,0]=3 30 B9R0.79 O=C(O)[C@@H](O)[C@@H](O)C(=O)O 7225AF [0,1,0,0,0,0|2,0,0]=3 31 B9R0.79 O=C(O)[C@H](Br)[C@H](Br)C(=O)O 9097AB [0,1,0,0,0,0|2,0,0]=3 32 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O 5598AL [0,1,0,0,0,0|2,0,0]=3 33 B9R0.79 O=C([O-])C(O)C(O)C(=O)[O-] 5404AF [0,1,0,0,0,0|2,0,1]=4 34 B9R0.79 O=C([O-])C(O)C(O)C(=O)[O-] 7162AF [0,1,0,0,0,0|2,0,1]=4 35 B9R0.79 O=C([O-])C(O)C(O)C(=O)[O-] 7164AF [0,1,0,0,0,0|2,0,1]=4 36 B9R0.79 O=C([O-])C(O)C(O)C(=O)[O-] F399 [0,1,0,0,0,0|2,0,1]=4 37 B9R0.79 O=C([O-])C(O)C(O)C(=O)[O-] G403 [0,1,0,0,0,0|2,0,1]=4 38 B9R0.79 O=C([O-])C(O)C(O)C(=O)[O-] X6815 [0,1,0,0,0,0|2,0,1]=4 39 B9R0.79 O=C([O-])C(O)C(O)C(=O)[O-] X6975 [0,1,0,0,0,0|2,0,1]=4 40 B9R0.79 O=C([O-])C(O)C(O)C(=O)[O-] X6977 [0,1,0,0,0,0|2,0,1]=4 41 B9R0.79 O=C([O-])C(O)C(O)C(=O)[O-] Z3635 [0,1,0,0,0,0|2,0,1]=4 42 B9R1.35 N[C@H]1C=C[C@@H](C(=O)O)C1 Z2011 [0,0,0,1,0,0|2,0,1]=4 43 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 4247AH [0,0,0,1,0,0|1,0,2]=4 44 B9R1.35 O=C1CN[C@H](C(=O)O)C1 6009AB [0,0,0,1,0,0|1,0,0]=2 45 B9R1.35 O=C1CN[C@H](C(=O)O)C1 8316AF [0,0,0,1,0,0|1,0,0]=2 46 B9R1.161 O=C(O)[C@H]1C[C@H]1C(=O)O 0769AC [0,0,0,1,0,0|2,0,0]=3 47 B7R0.16 CC(N)C(N)C(=O)O 2357AB [0,0,0,0,1,0|1,0,1]=3 48 B7R0.16 C[C@@H](N)[C@@H](N)C(=O)O 5485AC [0,0,0,0,1,0|1,0,1]=3 49 B7R0.16 C[C@@H](N)[C@H](N)C(=O)O 0965AB [0,0,0,0,1,0|1,0,1]=3 50 B7R0.16 C[C@H](N)[C@@H](N)C(=O)O 9929AB [0,0,0,0,1,0|1,0,1]=3 51 B7R0.16 C[C@H](N)[C@H](N)C(=O)O 3674AA [0,0,0,0,1,0|1,0,1]=3 52 B7R0.16 O=C(O)C(Cl)C(=O)O 8949AB [0,0,0,0,1,0|2,0,0]=3 53 B9R0.7 CC(CCC(=O)O)C(=O)O 0280AP [0,0,0,0,0,1|2,0,0]=3 54 B9R0.7 C[C@H](CC[N+](=O)[O-])C(=O)O 1751AF [0,0,0,0,0,1|3,0,0]=4 55 B9R0.7 C[S+](C)CCC(N)C(=O)O 8997AD [0,0,0,0,0,1|3,0,0]=4 56 B9R0.7 NC(=O)C(N)CCC(=O)O Y1588 [0,0,0,0,0,1|2,0,0]=3 57 B9R0.7 O=C(O)CCC(=O)C(=O)O F772 [0,0,0,0,0,1|2,0,1]=4 58 B6R0.2 C[C@H](O)CC(=O)O Z4946 [2,0,0,0,0,0|2,0,0]=4 59 B6R0.4 O=CNCC(=O)O Y4936 [2,0,0,0,0,0|1,0,0]=3 60 B6R0.3 C=CC(N)C(=O)O 7462AB [2,0,0,0,0,0|0,0,1]=3 61 B6R0.3 C=C[C@H](N)C(=O)O 1008AC [2,0,0,0,0,0|0,0,1]=3 62 B6R0.3 CC[C@H](C)C(=O)O Z9667 [2,0,0,0,0,0|1,0,1]=4 63 B6R0.3 O=C(O)C(Br)CF 5339AD [2,0,0,0,0,0|2,0,0]=4 64 B8R0.3 C=CC[C@@H](N)C(=O)OC 8970AH [1,1,0,0,0,0|1,0,0]=3 65 B8R0.8 C#CCC[C@@H](N)C(=O)O 0448AP [1,1,0,0,0,0|1,0,1]=4 66 B8R0.8 NC(CCCO)C(=O)O 7586AB [1,1,0,0,0,0|0,0,2]=4 67 B8R0.8 NCCCC(N)C(=O)O 7335AF [1,1,0,0,0,0|0,0,1]=3 68 B8R0.8 NCCCC(N)C(=O)O U283 [1,1,0,0,0,0|0,0,1]=3 69 B8R0.8 NCCC[C@@H](N)C(=O)O 7336AF [1,1,0,0,0,0|0,0,1]=3 70 B8R0.8 NCCC[C@H](N)C(=O)O O422 [1,1,0,0,0,0|0,0,1]=3 71 B8R0.8 NOCCC(N)C(=O)O 0044AC [1,1,0,0,0,0|0,0,1]=3 72 B8R0.12 C#CC[C@@](C)(N)C(=O)O 0593AP [1,1,0,0,0,0|1,0,1]=4 73 B8R0.12 NCCC(F)(F)C(=O)O 3596AD [1,1,0,0,0,0|1,0,1]=4 74 B8R0.15 CCCC(NC)C(=O)O 0624AP [1,1,0,0,0,0|1,0,1]=4 75 B8R0.9 NCC(=O)CCC(=O)O 1451AA [1,1,0,0,0,0|0,0,0]=2 76 B8R0.9 NCC(=O)NCC(=O)O 7998AL [1,1,0,0,0,0|1,0,0]=3 77 B10R0.43 CC(N)(CCC(=O)O)C(=O)O 6626AH [0,1,0,0,0,1|1,0,0]=3 78 B10R0.93 NC(CC(N)C(=O)O)C(=O)O 6930AA [0,1,0,0,0,1|1,0,0]=3 79 B10R0.93 N[C@@H](C[C@@H](F)C(=O)O)C(=O)O 2979AF [0,1,0,0,0,1|1,0,0]=3 80 B10R0.119 CCC(C)(CC(=O)O)C(=O)O 9593AB [0,2,0,0,0,0|2,0,0]=4 81 B10R0.23 O=CN[C@@H](CC(=O)O)C(=O)O Y4928 [0,2,0,0,0,0|1,0,0]=3 82 B10R0.162 CC(O)C(NC(N)=O)C(=O)O 2488AD [0,2,0,0,0,0|2,0,0]=4 83 B8R1.4 NC1CCNC(=O)C1 V1291 [1,0,0,1,0,0|1,0,1]=4 84 B8R1.18 C[C@H]1NC(=O)NC1=O 2120AH [1,0,0,1,0,0|2,0,0]=4 85 B8R1.23 C=C1CC(C(=O)O)C1 Y3148 [1,0,0,1,0,0|2,0,0]=4 86 B10R1.349 CC(=O)N1CC(C(=O)O)C1 4571AF [0,0,0,1,0,1|2,0,0]=4 87 B10R1.470 O=C1CC(O)(C(=O)O)CO1 0234AP [0,0,0,1,0,1|2,0,0]=4 88 B10R1.277 N[C@H]1CC(=O)O[Ca]OC1=O B533 [0,1,0,1,0,0|1,0,0]=3 89 B10R1.408 COC(=O)[C@H]1O[C@@H]1C(=O)O 9814AJ [0,1,0,1,0,0|2,0,0]=4 90 B10R1.113 O=C1CCN[C@H](C(=O)O)C1 9958AB [0,1,0,1,0,0|1,0,0]=3 91 B10R1.361 O=C(O)[C@H]1CC[C@H]1C(=O)O 7241AA [0,1,0,1,0,0|2,0,0]=4 92 B8R0.28 N=C(N)SCCC(=O)O M147 [1,0,0,0,0,1|1,0,0]=3 93 B8R0.28 O=C([O-])CNCC(=O)[O-] 7178AF [1,0,0,0,0,1|1,0,1]=4 94 B8R0.28 O=C([O-])COCC(=O)O 7181AF [1,0,0,0,0,1|1,0,0]=3 95 B10R0.96 N[C@@H](CCC(=O)O)CC(=O)O 9290AB [0,0,0,0,0,2|1,0,0]=3 96 B10R0.98 N=C(N)NCCC(N)C(=O)O X3143 [0,0,0,0,0,2|1,0,0]=3 97 B10R0.98 O=C(O)CCCC(O)C(=O)O 9582AA [0,0,0,0,0,2|2,0,0]=4 98 B10R0.98 [C@H](O)(CCCC(=O)O)C(=O)O 9874AL [0,0,0,0,0,2|2,0,0]=4