0 B12R0.41 CC(C)CC(CC(=O)N)CC(=O)O MCULE-4379796345 [0,0,0,0,0,0|3,0,1]=4 1 B12R0.41 CC(C)CC(CC(=O)N)CC(=O)O MCULE-6251806077 [0,0,0,0,0,0|3,0,1]=4 2 B12R0.41 CC(C)CC(CC(=O)O)CC(=O)O MCULE-7888882967 [0,0,0,0,0,0|3,0,1]=4 3 B12R0.41 CC(C)C[C@@H](CC(=O)N)CC(=O)O MCULE-6717622510 [0,0,0,0,0,0|3,0,1]=4 4 B12R0.41 CC(C)C[C@@H](CC(=O)N)CC(=O)O MCULE-7836724145 [0,0,0,0,0,0|3,0,1]=4 5 B12R0.41 CC(C)C[C@H](CC(=O)N)CC(=O)O MCULE-2691588542 [0,0,0,0,0,0|3,0,1]=4 6 B12R0.41 CC(C)C[C@H](CC(=O)N)CC(=O)O MCULE-6532551802 [0,0,0,0,0,0|3,0,1]=4 7 B12R0.41 NC(=O)CN(CC(=O)O)CC(=O)O MCULE-7776883622 [0,0,0,0,0,0|0,0,0]=0 8 B12R0.41 NC(=O)CN(CC(=O)[O-])CC(=O)O MCULE-4041620421 [0,0,0,0,0,0|0,0,1]=1 9 B12R0.41 NC(=O)CN(CC(=O)[O-])CC(=O)[O-] MCULE-3533253529 [0,0,0,0,0,0|0,0,2]=2 10 B12R0.41 NC(=O)NN(CC(=O)O)CC(=O)O MCULE-1023550972 [0,0,0,0,0,0|1,0,0]=1 11 B12R0.41 NC(=S)NN(CC(=O)O)CC(=O)O MCULE-6440234250 [0,0,0,0,0,0|1,1,0]=2 12 B12R0.41 O=C(O)CN(CC(=O)O)CC(=O)O MCULE-5696288379 [0,0,0,0,0,0|1,0,0]=1 13 B12R0.41 O=C([O-])CN(CC(=O)[O-])CC(=O)O MCULE-6965600824 [0,0,0,0,0,0|1,0,1]=2 14 B12R0.41 O=C([O-])CN(CC(=O)[O-])CC(=O)[O-] MCULE-3351977320 [0,0,0,0,0,0|1,0,2]=3 15 B11R0.35 C/C=C/C(CC(=O)O)CC(=O)O MCULE-7652192547 [1,0,0,0,0,0|2,0,1]=4 16 B11R0.35 CCCC(CC(=O)O)CC(=O)O MCULE-6540318880 [1,0,0,0,0,0|2,0,1]=4 17 B11R0.35 NCCN(CC(=O)O)CC(=O)O MCULE-4683503349 [1,0,0,0,0,0|0,0,1]=2 18 B11R0.35 NCCN(CC(=O)O)CC(=O)O MCULE-8211206299 [1,0,0,0,0,0|0,0,1]=2 19 B11R0.35 O=C(O)CN(CCO)CC(=O)O MCULE-4207926497 [1,0,0,0,0,0|0,0,2]=3 20 B13R0.52 CC(C(=O)O)N(CC(=O)O)CC(=O)O MCULE-7799248197 [0,1,0,0,0,0|1,0,0]=2 21 B13R0.52 CC(C(=O)[O-])N(CC(=O)[O-])CC(=O)[O-] MCULE-4944651362 [0,1,0,0,0,0|1,0,2]=4 22 B13R0.612 O=C(O)CN(CC(=O)O)CP(=O)(O)O MCULE-3594785583 [0,1,0,0,0,0|2,0,0]=3 23 B13R1.3487 NC1=NN(C(=N1)C(=O)O)CC(=O)O MCULE-1927501814 [0,0,0,1,0,0|2,0,1]=4 24 B13R1.3487 NC1=NN(C(=N1)C(=O)O)CC(=O)O MCULE-4021774189 [0,0,0,1,0,0|2,0,1]=4 25 B11R0.32 CC(=O)NC(CC(=O)N)C(=O)O MCULE-4878635005 [0,0,0,0,1,0|3,0,0]=4 26 B11R0.32 CC(=O)NC(CC(=O)O)C(=O)N MCULE-5157971327 [0,0,0,0,1,0|3,0,0]=4 27 B11R0.32 CC(=O)NC(CC(=O)O)C(=O)O MCULE-8912395007 [0,0,0,0,1,0|3,0,0]=4 28 B11R0.32 CC(=O)N[C@@H](CC(=O)N)C(=O)O MCULE-4594531393 [0,0,0,0,1,0|3,0,0]=4 29 B11R0.32 CC(=O)N[C@@H](CC(=O)O)C(=O)N MCULE-2089104598 [0,0,0,0,1,0|3,0,0]=4 30 B11R0.32 CC(=O)N[C@@H](CC(=O)O)C(=O)N MCULE-2463301038 [0,0,0,0,1,0|3,0,0]=4 31 B11R0.32 CC(=O)N[C@@H](CC(=O)O)C(=O)O MCULE-2346017798 [0,0,0,0,1,0|3,0,0]=4 32 B11R0.32 CC(=O)N[C@@H](CC(=O)O)C(=O)O MCULE-5208660790 [0,0,0,0,1,0|3,0,0]=4 33 B11R0.32 CC(=O)N[C@H](CC(=O)N)C(=O)O MCULE-2258546008 [0,0,0,0,1,0|3,0,0]=4 34 B11R0.32 CC(=O)N[C@H](CC(=O)N)C(=O)O MCULE-5563097482 [0,0,0,0,1,0|3,0,0]=4 35 B11R0.32 N=C(N)NC(CC(=O)O)C(=O)O MCULE-4241233413 [0,0,0,0,1,0|3,0,0]=4 36 B11R0.32 N=C(N)N[C@@H](CC(=O)O)C(=O)O MCULE-5013210070 [0,0,0,0,1,0|3,0,0]=4 37 B11R0.32 N=C(N)N[C@@H](CC(=O)O)C(=O)O MCULE-9253749740 [0,0,0,0,1,0|3,0,0]=4 38 B11R0.32 NC(=O)CC(CC(=O)N)C(=O)N MCULE-2785332198 [0,0,0,0,1,0|3,0,0]=4 39 B11R0.32 NC(=O)CC(NC(=O)N)C(=O)O MCULE-1904738893 [0,0,0,0,1,0|3,0,0]=4 40 B11R0.32 NC(=O)N(CC(=O)O)CC(=O)O MCULE-6956304715 [0,0,0,0,1,0|0,0,0]=1 41 B11R0.32 NC(=O)NC(CC(=O)O)C(=O)O MCULE-1014975815 [0,0,0,0,1,0|2,0,0]=3 42 B11R0.32 NC(=O)N[C@@H](CC(=O)O)C(=O)O MCULE-2523426634 [0,0,0,0,1,0|2,0,0]=3 43 B11R0.32 NC(=O)N[C@@H](CC(=O)O)C(=O)O MCULE-3753948535 [0,0,0,0,1,0|2,0,0]=3 44 B11R0.32 NC(=S)NC(CC(=O)O)C(=O)O MCULE-3942512238 [0,0,0,0,1,0|2,1,0]=4 45 B11R0.32 O=C(O)/C=C(/CC(=O)O)\C(=O)O MCULE-4820808264 [0,0,0,0,1,0|2,0,1]=4 46 B11R0.32 O=C(O)/C=C(\CC(=O)O)/C(=O)O MCULE-8825041724 [0,0,0,0,1,0|2,0,1]=4 47 B11R0.32 O=C(O)C=C(CC(=O)O)C(=O)O MCULE-2952775308 [0,0,0,0,1,0|2,0,1]=4 48 B11R0.32 O=C(O)CC(CC(=O)O)C(=O)O MCULE-6198986604 [0,0,0,0,1,0|2,0,0]=3 49 B11R0.32 O=C(O)CN(CC(=O)O)N(=O)=O MCULE-8303732787 [0,0,0,0,1,0|2,0,0]=3 50 B11R0.32 [C@@H](CC(=O)N)(NC(=O)C)C(=O)O MCULE-3763271453 [0,0,0,0,1,0|3,0,0]=4 51 B13R0.177 O=C(O)CCN(CC(=O)O)CC(=O)O MCULE-8704112308 [0,0,0,0,0,1|1,0,0]=2 52 B12R0.242 C#CCCN(CC(=O)O)CC(=O)O MCULE-1971358229 [1,1,0,0,0,0|1,0,1]=4 53 B12R0.242 NOCCN(CC(=O)O)CC(=O)O MCULE-7586416914 [1,1,0,0,0,0|0,0,1]=3 54 B12R0.242 NOCCN(CC(=O)O)CC(=O)O MCULE-8985054350 [1,1,0,0,0,0|0,0,1]=3 55 B12R0.43 O=C(O)CC(C(=O)O)C(O)C(=O)O MCULE-1207186330 [0,1,0,0,1,0|2,0,0]=4 56 B12R0.43 O=C(O)CC(C(=O)O)C(O)C(=O)[O-] MCULE-3358127861 [0,1,0,0,1,0|2,0,0]=4 57 B12R0.43 O=C(O)C[C@@H](C(=O)[O-])[C@@H](O)C(=O)O MCULE-6280875375 [0,1,0,0,1,0|2,0,0]=4 58 B12R0.43 O=C(O)C[C@@H](C(=O)[O-])[C@@H](O)C(=O)O MCULE-9197214556 [0,1,0,0,1,0|2,0,0]=4 59 B12R0.151 NCC(=O)NC(CC(=O)O)C(=O)O MCULE-1425948003 [0,1,0,0,1,0|2,0,0]=4 60 B12R0.151 NCC(=O)N[C@@H](CC(=O)O)C(=O)O MCULE-4535987354 [0,1,0,0,1,0|2,0,0]=4 61 B12R0.151 NCC(=O)N[C@@H](CC(=O)O)C(=O)O MCULE-6987619517 [0,1,0,0,1,0|2,0,0]=4 62 B12R0.393 CC(=O)N(CC(=O)O)CP(=O)(O)O MCULE-5056027748 [0,1,0,0,1,0|2,0,0]=4 63 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O MCULE-2660877701 [0,1,0,0,1,0|2,0,0]=4 64 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O MCULE-2931604113 [0,1,0,0,1,0|2,0,0]=4 65 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O MCULE-3614590728 [0,1,0,0,1,0|2,0,0]=4 66 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O MCULE-3854575300 [0,1,0,0,1,0|2,0,0]=4 67 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O MCULE-3884812253 [0,1,0,0,1,0|2,0,0]=4 68 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O MCULE-5083901722 [0,1,0,0,1,0|2,0,0]=4 69 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O MCULE-5494663375 [0,1,0,0,1,0|2,0,0]=4 70 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O MCULE-6168221722 [0,1,0,0,1,0|2,0,0]=4 71 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O MCULE-7286832107 [0,1,0,0,1,0|2,0,0]=4 72 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O MCULE-7461989018 [0,1,0,0,1,0|2,0,0]=4 73 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O MCULE-7981253226 [0,1,0,0,1,0|2,0,0]=4 74 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O MCULE-8070167250 [0,1,0,0,1,0|2,0,0]=4 75 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O MCULE-8474985285 [0,1,0,0,1,0|2,0,0]=4 76 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O MCULE-9281390239 [0,1,0,0,1,0|2,0,0]=4 77 B12R0.694 O=C([O-])CC(O)(CC(=O)O)C(=O)O MCULE-3431792506 [0,1,0,0,1,0|2,0,0]=4 78 B14R0.1458 COC(=O)CN(CC(=O)OC)NC(=O)N MCULE-7803427329 [0,2,0,0,0,0|1,0,0]=3 79 B12R1.101 NC(=O)CN1CC(=O)NC(=O)C1 MCULE-1096711529 [1,0,0,1,0,0|1,0,0]=3 80 B12R1.101 O=C(Cl)CC1CC(=O)NC(=O)C1 MCULE-5090456153 [1,0,0,1,0,0|2,0,0]=4 81 B12R1.101 O=C(O)CC1CC(=O)NC(=O)C1 MCULE-1687956782 [1,0,0,1,0,0|1,0,0]=3 82 B12R1.101 O=C(O)CC1CC(=O)NC(=O)N1 MCULE-6179754914 [1,0,0,1,0,0|2,0,0]=4 83 B12R1.101 O=C(O)CN1CC(=O)NC(=O)C1 MCULE-6478189605 [1,0,0,1,0,0|0,0,0]=2 84 B12R1.101 O=C(O)CN1CC(=O)OC(=O)C1 MCULE-6278404161 [1,0,0,1,0,0|0,0,0]=2 85 B12R1.392 O=C(O)CN1CCCC1C(=O)O MCULE-3986378820 [1,0,0,1,0,0|1,0,1]=4 86 B12R1.850 NC(=O)N1CC(CC1C(=O)O)O MCULE-4811638403 [0,0,0,1,1,0|1,0,1]=4 87 B12R1.850 O=C1CC(C(C1)C(=O)O)C(=O)O MCULE-4393869476 [0,0,0,1,1,0|2,0,0]=4 88 B12R1.850 O=C1CC(C(O1)C(=O)O)C(=O)O MCULE-6848457652 [0,0,0,1,1,0|2,0,0]=4 89 B12R1.850 O=C1CC([C@@H](C1)C(=O)O)C(=O)O MCULE-9478964359 [0,0,0,1,1,0|2,0,0]=4 90 B14R1.16679 N[C@H](C(=O)O)C1[C@H]([C@@H]1C(=O)O)C(=O)O MCULE-7992438283 [0,1,0,1,0,0|2,0,0]=4 91 B10R0.23 O=CNC(CC(=O)O)C(=O)O MCULE-1319737382 [1,0,0,0,1,0|2,0,0]=4 92 B12R0.138 NC(=O)NC(CCC(=O)O)C(=O)O MCULE-3205173370 [0,0,0,0,1,1|2,0,0]=4 93 B12R0.138 NC(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-6817913906 [0,0,0,0,1,1|2,0,0]=4 94 B12R0.138 NC(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-8310604508 [0,0,0,0,1,1|2,0,0]=4 95 B12R0.138 O=C(O)C/C=C(\CC(=O)O)/C(=O)O MCULE-2192027081 [0,0,0,0,1,1|2,0,0]=4 96 B12R0.138 O=C(O)CC=C(CC(=O)O)C(=O)O MCULE-5009214475 [0,0,0,0,1,1|2,0,0]=4 97 B12R0.138 O=C(O)CCC(CC(=O)O)C(=O)O MCULE-2741994268 [0,0,0,0,1,1|2,0,0]=4 98 B12R0.138 O=C(O)CSC(CC(=O)O)C(=O)O MCULE-6689291865 [0,0,0,0,1,1|2,0,0]=4