0 B9R0.7 CC(=O)N(C)CCC(=O)O SC-21566 [0,0,0,0,0,0|3,0,0]=3 1 B9R0.7 CC(CCC(=O)Cl)C(=O)Cl SC-25336 [0,0,0,0,0,0|3,0,1]=4 2 B9R0.7 CC(Cl)C(=O)NCC(=O)O SC-73815 [0,0,0,0,0,0|3,0,1]=4 3 B9R0.7 CC(S)C(=O)NCC(=O)O SC-26620 [0,0,0,0,0,0|2,1,1]=4 4 B9R0.7 NC(=O)CCC(N)C(=O)O SC-09535 [0,0,0,0,0,0|2,0,1]=3 5 B9R0.7 NC(=O)SCC(N)C(=O)O SC-25048 [0,0,0,0,0,0|3,0,1]=4 6 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O SC-94352 [0,0,0,0,0,0|2,0,1]=3 7 B9R0.7 NC(CCC(=O)O)C(=O)O SC-05406 [0,0,0,0,0,0|1,0,1]=2 8 B9R0.7 NC(CCC(=O)O)C(=O)O SC-27100 [0,0,0,0,0,0|1,0,1]=2 9 B9R0.7 N[C@H](CCC(=O)O)C(=O)O SC-09473 [0,0,0,0,0,0|1,0,1]=2 10 B9R0.7 O=C([O-])CCC(O)C(=O)[O-] SC-20382 [0,0,0,0,0,0|0,0,4]=4 11 B9R0.7 O=C([O-])CCC(O)C(=O)[O-] SC-88740 [0,0,0,0,0,0|0,0,4]=4 12 B9R0.7 [C@@H](N)(CCC(N)=O)C(=O)O SC-05605 [0,0,0,0,0,0|2,0,1]=3 13 B8R0.8 CCCCC(=O)C(=O)[O-] SC-94857 [1,0,0,0,0,0|1,0,2]=4 14 B8R0.9 C=CC(N)CCC(=O)O SC-82297 [1,0,0,0,0,0|2,0,1]=4 15 B8R0.9 CCC(=O)CCC(=O)O SC-58454 [1,0,0,0,0,0|1,0,1]=3 16 B8R0.9 COC(=O)CCC(=O)Cl SC-13608 [1,0,0,0,0,0|3,0,0]=4 17 B8R0.9 COC(=O)CCC(C)=O SC-74448 [1,0,0,0,0,0|3,0,0]=4 18 B8R0.9 COC(=O)NCC(=O)O SC-01599 [1,0,0,0,0,0|3,0,0]=4 19 B8R0.9 NCC(=O)CCC(=O)O SC-15622 [1,0,0,0,0,0|1,0,1]=3 20 B8R0.9 NCC(=O)CCC(=O)O SC-18502 [1,0,0,0,0,0|1,0,1]=3 21 B8R0.28 O=C(O)CNCC(=O)O SC-79871 [1,0,0,0,0,0|1,0,1]=3 22 B8R0.28 O=C(O)COCC(=O)O SC-93218 [1,0,0,0,0,0|1,0,1]=3 23 B8R0.28 O=C(O)\C=C\CC(=O)O SC-37894 [1,0,0,0,0,0|0,0,1]=2 24 B10R0.82 COC(=O)CC[C@H](N)C(=O)O SC-09522 [0,1,0,0,0,0|1,0,1]=3 25 B10R0.92 CP(=O)(O)CCC(N)C(=O)O SC-46809 [0,1,0,0,0,0|2,0,1]=4 26 B10R1.13 O=C1CCC(C(=O)O)CN1 SC-91365 [0,0,0,1,0,0|2,0,1]=4 27 B8R0.23 C=C(CC(=O)O)C(=O)O SC-75279 [0,0,0,0,1,0|1,0,0]=2 28 B8R0.23 C=C(NC(C)=O)C(=O)O SC-48847 [0,0,0,0,1,0|3,0,0]=4 29 B8R0.23 CC(=O)C(C)CC(=O)O SC-21504 [0,0,0,0,1,0|2,0,1]=4 30 B8R0.23 CC(CC(=O)O)C(=O)O SC-51763 [0,0,0,0,1,0|1,0,1]=3 31 B8R0.23 C[C@@H](CC(=O)O)C(=O)O SC-08886 [0,0,0,0,1,0|1,0,1]=3 32 B8R0.23 C[C@H](CC(=O)O)C(=O)O SC-08885 [0,0,0,0,1,0|1,0,1]=3 33 B8R0.23 NC(=O)C[C@@H](N)C(=O)O SC-09347 [0,0,0,0,1,0|2,0,1]=4 34 B8R0.23 NC(=O)C[C@H](N)C(=O)O SC-09348 [0,0,0,0,1,0|2,0,1]=4 35 B8R0.23 NC(=O)C[C@H](N)C(=O)O SC-09349 [0,0,0,0,1,0|2,0,1]=4 36 B8R0.23 N[C@H](CC(=O)O)C(=O)O SC-01867 [0,0,0,0,1,0|1,0,1]=3 37 B8R0.23 O=C(O)C[C@@H](O)C(=O)O SC-05990 [0,0,0,0,1,0|0,0,2]=3 38 B10R0.98 NC(CCCC(=O)O)C(=O)O SC-20484 [0,0,0,0,0,1|1,0,1]=3 39 B10R0.98 NC(CSCC(=O)O)C(=O)O SC-19245 [0,0,0,0,0,1|1,0,1]=3 40 B7R0.3 COC(=O)CCC=O SC-47529 [2,0,0,0,0,0|2,0,0]=4 41 B7R0.4 C\C=C\CCC(=O)O SC-21245 [2,0,0,0,0,0|1,0,0]=3 42 B7R0.5 CCOC(=O)C(=O)O SC-26569 [2,0,0,0,0,0|1,0,1]=4 43 B7R0.5 NC(CCO)C(=O)O SC-10290 [2,0,0,0,0,0|1,0,1]=4 44 B7R0.5 N[C@@H](CCO)C(=O)O SC-10291 [2,0,0,0,0,0|1,0,1]=4 45 B7R0.5 N[C@H](CCO)C(=O)O SC-10292 [2,0,0,0,0,0|1,0,1]=4 46 B7R0.6 O=C(O)C#CC(=O)O SC-18919 [2,0,0,0,0,0|0,0,2]=4 47 B7R0.6 O=C(O)CCC(=O)O SC-47173 [2,0,0,0,0,0|0,0,0]=2 48 B9R0.23 COC(=O)[C@@H](N)CC(=O)O SC-24738 [1,1,0,0,0,0|2,0,0]=4 49 B9R0.24 COC(=O)CCC(=O)CN SC-01776 [1,1,0,0,0,0|1,0,1]=4 50 B9R0.24 COC(=O)CCC(=O)OC SC-78937 [1,1,0,0,0,0|2,0,0]=4 51 B9R0.48 CCOC(=O)CCC(=O)O SC-48671 [1,1,0,0,0,0|1,0,1]=4 52 B9R0.1 C=CC(=O)OCCC(=O)O SC-65069 [1,1,0,0,0,0|2,0,0]=4 53 B9R0.1 COC(=O)CCCC(=O)O SC-85837 [1,1,0,0,0,0|0,0,1]=3 54 B9R0.53 CC(CC(=O)O)CC(=O)O SC-15126 [1,1,0,0,0,0|0,0,1]=3 55 B9R0.53 CN(CC(=O)O)CC(=O)O SC-04506 [1,1,0,0,0,0|1,0,1]=4 56 B9R0.53 O=C(O)CC(=O)CC(=O)O SC-16413 [1,1,0,0,0,0|0,0,2]=4 57 B9R0.11 CC(C)(CC(=O)O)C(=O)O SC-26972 [0,1,0,0,1,0|1,0,1]=4 58 B9R0.79 N[C@@H](C(=O)O)[C@@H](O)C(=O)O SC-10302 [0,1,0,0,1,0|0,0,2]=4 59 B9R0.79 O=C(O)C(S)C(S)C(=O)O SC-16640 [0,1,0,0,1,0|0,1,1]=4 60 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O SC-08892 [0,1,0,0,1,0|0,0,2]=4 61 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O SC-44061 [0,1,0,0,1,0|0,0,2]=4 62 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O SC-08893 [0,1,0,0,1,0|0,0,2]=4 63 B11R0.120 COC(=O)CCC(=O)C(=O)OC SC-16687 [0,2,0,0,0,0|0,0,0]=2 64 B11R0.120 COC(=O)CC[C@H](N)C(=O)OC SC-02682 [0,2,0,0,0,0|1,0,1]=4 65 B9R1.35 O=C1CCC(C(=O)O)C1 SC-28724 [1,0,0,1,0,0|1,0,1]=4 66 B9R1.35 O=C1CCC(C(=O)O)N1 SC-01249 [1,0,0,1,0,0|1,0,1]=4 67 B9R1.35 O=C1CCC(C(=O)O)O1 SC-93768 [1,0,0,1,0,0|0,0,2]=4 68 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 SC-07520 [1,0,0,1,0,0|1,0,1]=4 69 B9R1.35 [C@@H]1(C(=O)O)CCC(=O)O1 SC-47439 [1,0,0,1,0,0|0,0,2]=4 70 B9R1.35 [C@H]1(C(=O)O)CCC(=O)N1 SC-04305 [1,0,0,1,0,0|1,0,1]=4 71 B9R1.35 [C@H]1(C(=O)O)CCC(=O)O1 SC-08888 [1,0,0,1,0,0|0,0,2]=4 72 B11R1.175 O=C(O)C1CCC(C(=O)O)C1 SC-04127 [0,0,0,1,0,1|1,0,1]=4 73 B11R1.853 COC(=O)C1CC(C(=O)O)C1 SC-A2802 [0,1,0,1,0,0|1,0,1]=4 74 B7R0.2 COC(=O)CC(=O)O SC-21351 [1,0,0,0,1,0|2,0,0]=4 75 B7R0.16 CC(C(=O)O)C(=O)O SC-16059 [0,0,0,0,2,0|1,0,1]=4 76 B7R0.16 NC(C(=O)O)C(=O)O SC-10105 [0,0,0,0,2,0|1,0,1]=4 77 B7R0.16 O=C(O)C(O)C(=O)O SC-70695 [0,0,0,0,2,0|0,0,2]=4 78 B9R0.55 CC(=O)NCCCC(=O)O SC-46117 [1,0,0,0,0,1|1,0,1]=4 79 B9R0.55 O=C(O)\C=C\CCC(=O)O SC-66378 [1,0,0,0,0,1|0,0,0]=2