0 B7R0.16 CC(N)C(N)C(=O)O 2357AB [0,0,0,0,0,0|2,0,1]=3 1 B7R0.16 C[C@@H](N)[C@@H](N)C(=O)O 5485AC [0,0,0,0,0,0|2,0,1]=3 2 B7R0.16 C[C@@H](N)[C@H](N)C(=O)O 0965AB [0,0,0,0,0,0|2,0,1]=3 3 B7R0.16 C[C@H](N)[C@@H](N)C(=O)O 9929AB [0,0,0,0,0,0|2,0,1]=3 4 B7R0.16 C[C@H](N)[C@H](N)C(=O)O 3674AA [0,0,0,0,0,0|2,0,1]=3 5 B6R0.2 CC(=O)\C=C(\C)[O-] 7375AF [1,0,0,0,0,0|2,0,1]=4 6 B6R0.2 CC(C)CC(=O)Cl V2138 [1,0,0,0,0,0|1,0,1]=3 7 B6R0.2 CC(C)CC(=O)[O-] 7399AF [1,0,0,0,0,0|0,0,2]=3 8 B6R0.2 CC(C)CC(=O)[O-] 7400AF [1,0,0,0,0,0|0,0,2]=3 9 B6R0.2 CC(C)C[C@@H](C)O 7431AJ [1,0,0,0,0,0|1,0,2]=4 10 B6R0.2 CC(C)SC(=N)N 2036AH [1,0,0,0,0,0|3,0,0]=4 11 B6R0.2 C[C@H](O)CC(=O)O Z4946 [1,0,0,0,0,0|1,0,1]=3 12 B6R0.2 C\C(N)=C\C(N)=O 7954AA [1,0,0,0,0,0|2,0,1]=4 13 B6R0.3 C=C(C)C(=O)OC P536 [1,0,0,0,0,0|3,0,0]=4 14 B6R0.3 CC(C)C(Br)C=O 9932AB [1,0,0,0,0,0|1,0,1]=3 15 B6R0.3 CC(O)C(=O)O[Ag] 7026AF [1,0,0,0,0,0|3,0,0]=4 16 B6R0.3 CC(O)C(=O)O[Ag] 7027AF [1,0,0,0,0,0|3,0,0]=4 17 B6R0.3 CC[C@H](C)C(=O)O Z9667 [1,0,0,0,0,0|1,0,1]=3 18 B6R0.3 COC(=O)C(C)N X3707 [1,0,0,0,0,0|3,0,0]=4 19 B6R0.3 COC(=O)C(N)=O L906 [1,0,0,0,0,0|2,0,0]=3 20 B6R0.3 O=C(O)C(Br)CF 5339AD [1,0,0,0,0,0|2,0,1]=4 21 B8R0.2 CCC(C)[C@H](Cl)C(=O)O Z6070 [0,1,0,0,0,0|1,0,1]=3 22 B8R0.2 N[C@H](C(=O)O)[C@H](O)CF 7595AC [0,1,0,0,0,0|2,0,1]=4 23 B8R0.18 CC(C)[C@@H](CN)C(=O)O 0446AB [0,1,0,0,0,0|1,0,1]=3 24 B8R0.27 NC(=O)C(=O)C(F)(F)F 1595AF [0,1,0,0,0,0|3,0,0]=4 25 B8R0.37 CN(C)C(C)(C)C(=O)O 7357AE [0,1,0,0,0,0|2,0,1]=4 26 B8R1.50 CC1=C(O)C(=O)CC1 5650AL [0,0,0,1,0,0|1,0,2]=4 27 B8R1.50 CC1CCC(=O)N1C 0337AQ [0,0,0,1,0,0|3,0,0]=4 28 B8R0.23 C=C(CN(C)C)C(C)=O 9427AJ [0,0,0,0,0,1|3,0,0]=4 29 B8R0.23 CC(C)CC(=O)C(=O)[O-] 9511AJ [0,0,0,0,0,1|0,0,1]=2 30 B5R0.1 CC(O)CC=O 7261AF [2,0,0,0,0,0|1,0,1]=4 31 B5R0.1 CCCC(=O)[O-] M135 [2,0,0,0,0,0|0,0,2]=4 32 B5R0.1 CN(C)NC=O 3893AH [2,0,0,0,0,0|2,0,0]=4 33 B5R0.3 C=CC(=O)CBr V2439 [2,0,0,0,0,0|2,0,0]=4 34 B5R0.3 C=CC(=O)CCl 0235AP [2,0,0,0,0,0|2,0,0]=4 35 B5R0.3 CCC(=O)CN 2095AC [2,0,0,0,0,0|1,0,1]=4 36 B5R0.3 COC(=O)C=O Y1686 [2,0,0,0,0,0|1,0,0]=3 37 B5R0.3 O=C(CO)CBr 0236AP [2,0,0,0,0,0|1,0,1]=4 38 B5R0.5 CC(=O)C(C)Br V0402 [2,0,0,0,0,0|1,0,1]=4 39 B5R0.5 CC(O)C(=O)[O-] P973 [2,0,0,0,0,0|1,0,1]=4 40 B5R0.5 CC(O)C(=O)[O-] Z1915 [2,0,0,0,0,0|1,0,1]=4 41 B5R0.5 CC(O)C(=O)[O-] Z1916 [2,0,0,0,0,0|1,0,1]=4 42 B5R0.5 CC(O)C(N)=O 7066AF [2,0,0,0,0,0|2,0,0]=4 43 B5R0.5 C[C@H](O)C(N)=O 4862AC [2,0,0,0,0,0|2,0,0]=4 44 B5R0.5 O=C(O)C(=O)O 6148AH [2,0,0,0,0,0|1,0,0]=3 45 B5R0.5 O=C(O)C(=O)O 9022AJ [2,0,0,0,0,0|1,0,0]=3 46 B5R0.5 O=C(O)C(Cl)Br R838 [2,0,0,0,0,0|2,0,0]=4 47 B5R0.5 O=C([O-])C(=O)O 6896AF [2,0,0,0,0,0|1,0,0]=3 48 B5R0.5 O=C([O-])C(=O)O 6897AF [2,0,0,0,0,0|1,0,0]=3 49 B5R0.5 O=C([O-])C(=O)[O-] 6911AF [2,0,0,0,0,0|1,0,1]=4 50 B5R0.5 O=C([O-])C(=O)[O-] 6912AF [2,0,0,0,0,0|1,0,1]=4 51 B5R0.5 O=C([O-])C(=O)[O-] 6914AF [2,0,0,0,0,0|1,0,1]=4 52 B5R0.5 O=C([O-])C(=O)[O-] 9972AL [2,0,0,0,0,0|1,0,1]=4 53 B5R0.5 O=C([O-])C(=O)[O-] L963 [2,0,0,0,0,0|1,0,1]=4 54 B5R0.5 O=C([O-])C(=O)[O-] X6823 [2,0,0,0,0,0|1,0,1]=4 55 B5R0.5 O=C([O-])C(=O)[O-] Z1768 [2,0,0,0,0,0|1,0,1]=4 56 B7R0.2 C=CC(=O)C=C(C)C 5582AA [1,1,0,0,0,0|1,0,1]=4 57 B7R0.2 CC(C)CC(=O)CBr Y8593 [1,1,0,0,0,0|1,0,1]=4 58 B7R0.2 COC(=O)\C=C(\C)F 4465AA [1,1,0,0,0,0|1,0,1]=4 59 B7R0.2 N[C@@H](CO)CC(=O)O 4626AA [1,1,0,0,0,0|1,0,1]=4 60 B7R0.9 CC(=O)CC(C)(C)N 7543AF [1,1,0,0,0,0|1,0,1]=4 61 B7R0.5 C=C(Cl)C(=O)OCC 7371AF [1,1,0,0,0,0|2,0,0]=4 62 B7R0.5 CCCC(=O)C(=O)[O-] 7377AF [1,1,0,0,0,0|0,0,1]=3 63 B7R0.5 CNC[C@H](N)C(=O)O Q369 [1,1,0,0,0,0|1,0,1]=4 64 B7R0.5 C[Se]C[C@H](N)C(=O)O 2218AB [1,1,0,0,0,0|1,0,1]=4 65 B7R0.5 NC(CCBr)C(=O)O 0872AA [1,1,0,0,0,0|1,0,1]=4 66 B7R0.5 N[C@@H](CCO)C(=O)O 0148AB [1,1,0,0,0,0|1,0,1]=4 67 B7R0.10 CCC(C)C(=O)SC U625 [1,1,0,0,0,0|2,0,0]=4 68 B7R0.10 COC(=O)C(C)CN X3684 [1,1,0,0,0,0|2,0,0]=4 69 B7R0.10 O=C(O[Hg])C(=O)O[Hg] 6890AF [1,1,0,0,0,0|2,0,0]=4 70 B7R0.10 O=C(O[Tl])C(=O)O[Tl] 6918AF [1,1,0,0,0,0|2,0,0]=4 71 B7R0.14 C=C(C=O)[Si](C)(C)C 6006AE [1,1,0,0,0,0|1,1,0]=4 72 B7R0.14 CC(C)(C)C(=O)C#N X6716 [1,1,0,0,0,0|1,0,1]=4 73 B7R0.15 CCN(N=O)C(N)=O 9828AF [1,1,0,0,0,0|2,0,0]=4 74 B7R0.15 CC[C@H](CO)C(=O)O 1257AC [1,1,0,0,0,0|0,0,2]=4 75 B9R0.10 CC(C)(C)[C@@H](N)CC(=O)O W5787 [0,1,0,0,0,1|1,0,1]=4 76 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O Z5970 [0,1,0,0,0,1|1,0,1]=4 77 B9R0.79 CC(C)[C@H](O)[C@@H](N)C(=O)O Q390 [0,1,0,0,0,1|0,0,2]=4 78 B9R0.6 CCOC(=O)C(C)C(C)C 5234AE [0,2,0,0,0,0|1,0,1]=4 79 B7R1.2 CC1CCC(=O)C1 7470AF [1,0,0,1,0,0|1,0,1]=4 80 B7R1.4 CC1=C(S)CCO1 R544 [1,0,0,1,0,0|1,1,0]=4 81 B7R1.4 NC1=CCOC1=O 3957AB [1,0,0,1,0,0|1,0,1]=4 82 B7R1.4 O=C1OCC=C1Br 1872AC [1,0,0,1,0,0|1,0,1]=4 83 B7R1.4 O=C1O[Ba]OC1=O 6788AF [1,0,0,1,0,0|2,0,0]=4 84 B7R1.4 O=C1O[Ca]OC1=O 6793AF [1,0,0,1,0,0|2,0,0]=4 85 B7R1.4 O=C1O[Cu]OC1=O 6805AF [1,0,0,1,0,0|2,0,0]=4 86 B7R1.4 O=C1O[Mn]OC1=O 6901AF [1,0,0,1,0,0|2,0,0]=4 87 B7R1.4 O=C1O[PbH2]OC1=O Z1767 [1,0,0,1,0,0|2,0,0]=4 88 B7R1.4 O=C1O[Sr]OC1=O 6917AF [1,0,0,1,0,0|2,0,0]=4 89 B7R1.4 O=C1O[Zn]OC1=O 6920AF [1,0,0,1,0,0|2,0,0]=4 90 B7R1.18 O=C(O)[C@@H]1CCN1 5483AB [1,0,0,1,0,0|1,0,1]=4 91 B9R1.69 CC1CNC(=O)CC1=O X9250 [0,0,0,1,0,1|1,0,0]=3 92 B9R1.69 CC1CNC(=O)NC1=O K164 [0,0,0,1,0,1|1,0,0]=3 93 B9R1.69 NC1CCC(=O)NC1=O 9455AJ [0,0,0,1,0,1|2,0,0]=4 94 B9R1.69 N[C@@H]1CCC(=O)NC1=O 8996AH [0,0,0,1,0,1|2,0,0]=4 95 B9R1.37 CC1OC(=O)C(O)=C1O 1519AE [0,1,0,1,0,0|1,0,1]=4 96 B9R1.37 C[C@H]1CN(O)C(=O)[C@H]1N 4755AJ [0,1,0,1,0,0|1,0,1]=4 97 B9R1.41 C[C@H]1CCN[C@@H]1C(=O)O 7397AJ [0,1,0,1,0,0|1,0,1]=4 98 B9R0.7 CC(C)C(=O)CCC(=O)O 2968AE [0,0,0,0,0,2|0,0,0]=2 99 B9R0.7 CC(C)COC(=O)C(C)O R139 [0,0,0,0,0,2|1,0,1]=4 100 B9R0.7 C[C@H](N)C(=O)NCC(=O)O 0620AC [0,0,0,0,0,2|1,0,0]=3