0 B12R0.41 CC(C)CC(CC(=O)O)CC(=O)O MCULE-7888882967 [0,0,0,0,0,0|3,0,1]=4 1 B12R0.41 NC(=O)CN(CC(=O)O)CC(=O)O MCULE-7776883622 [0,0,0,0,0,0|1,0,0]=1 2 B12R0.41 NC(=O)CN(CC(=O)[O-])CC(=O)O MCULE-4041620421 [0,0,0,0,0,0|1,0,1]=2 3 B12R0.41 NC(=O)CN(CC(=O)[O-])CC(=O)[O-] MCULE-3533253529 [0,0,0,0,0,0|1,0,2]=3 4 B12R0.41 NC(=O)NN(CC(=O)O)CC(=O)O MCULE-1023550972 [0,0,0,0,0,0|2,0,0]=2 5 B12R0.41 NC(=S)NN(CC(=O)O)CC(=O)O MCULE-6440234250 [0,0,0,0,0,0|2,1,0]=3 6 B12R0.41 O=C(O)CN(CC(=O)O)CC(=O)O MCULE-5696288379 [0,0,0,0,0,0|0,0,0]=0 7 B12R0.41 O=C([O-])CN(CC(=O)[O-])CC(=O)O MCULE-6965600824 [0,0,0,0,0,0|0,0,2]=2 8 B12R0.41 O=C([O-])CN(CC(=O)[O-])CC(=O)[O-] MCULE-3351977320 [0,0,0,0,0,0|0,0,3]=3 9 B11R0.35 C/C=C/C(CC(=O)O)CC(=O)O MCULE-7652192547 [1,0,0,0,0,0|2,0,1]=4 10 B11R0.35 CCCC(CC(=O)O)CC(=O)O MCULE-6540318880 [1,0,0,0,0,0|2,0,1]=4 11 B11R0.35 NCCN(CC(=O)O)CC(=O)O MCULE-4683503349 [1,0,0,0,0,0|1,0,1]=3 12 B11R0.35 NCCN(CC(=O)O)CC(=O)O MCULE-8211206299 [1,0,0,0,0,0|1,0,1]=3 13 B11R0.35 O=C(O)CN(CCO)CC(=O)O MCULE-4207926497 [1,0,0,0,0,0|0,0,1]=2 14 B13R0.52 CC(C(=O)O)N(CC(=O)O)CC(=O)O MCULE-7799248197 [0,1,0,0,0,0|0,0,0]=1 15 B13R0.52 CC(C(=O)[O-])N(CC(=O)[O-])CC(=O)[O-] MCULE-4944651362 [0,1,0,0,0,0|0,0,3]=4 16 B13R0.612 O=C(O)CN(CC(=O)O)CP(=O)(O)O MCULE-3594785583 [0,1,0,0,0,0|1,0,0]=2 17 B11R0.32 CC(=O)NC(CC(=O)O)C(=O)O MCULE-8912395007 [0,0,0,0,1,0|3,0,0]=4 18 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 19 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 20 B11R0.32 NC(=O)N(CC(=O)O)CC(=O)O MCULE-6956304715 [0,0,0,0,1,0|1,0,0]=2 21 B11R0.32 NC(=O)NC(CC(=O)O)C(=O)O MCULE-1014975815 [0,0,0,0,1,0|3,0,0]=4 22 B11R0.32 NC(=O)N[C@@H](CC(=O)O)C(=O)O MCULE-2523426634 [0,0,0,0,1,0|3,0,0]=4 23 B11R0.32 NC(=O)N[C@@H](CC(=O)O)C(=O)O MCULE-3753948535 [0,0,0,0,1,0|3,0,0]=4 24 B11R0.32 O=C(O)/C=C(/CC(=O)O)\C(=O)O MCULE-4820808264 [0,0,0,0,1,0|1,0,1]=3 25 B11R0.32 O=C(O)/C=C(\CC(=O)O)/C(=O)O MCULE-8825041724 [0,0,0,0,1,0|1,0,1]=3 26 B11R0.32 O=C(O)C=C(CC(=O)O)C(=O)O MCULE-2952775308 [0,0,0,0,1,0|1,0,1]=3 27 B11R0.32 O=C(O)CC(CC(=O)O)C(=O)O MCULE-6198986604 [0,0,0,0,1,0|1,0,0]=2 28 B11R0.32 O=C(O)CN(CC(=O)O)N(=O)=O MCULE-8303732787 [0,0,0,0,1,0|1,0,1]=3 29 B13R0.177 O=C(O)CCN(CC(=O)O)CC(=O)O MCULE-8704112308 [0,0,0,0,0,1|0,0,0]=1 30 B10R0.79 O=C(O)CN(CCO)CCO MCULE-4763691774 [2,0,0,0,0,0|0,0,2]=4 31 B12R0.242 C#CCCN(CC(=O)O)CC(=O)O MCULE-1971358229 [1,1,0,0,0,0|1,0,1]=4 32 B12R0.242 NOCCN(CC(=O)O)CC(=O)O MCULE-7586416914 [1,1,0,0,0,0|0,0,1]=3 33 B12R0.242 NOCCN(CC(=O)O)CC(=O)O MCULE-8985054350 [1,1,0,0,0,0|0,0,1]=3 34 B12R0.43 C=C(C(=O)O)C(CC(=O)O)C(=O)O MCULE-2499412105 [0,1,0,0,1,0|1,0,1]=4 35 B12R0.43 O=C(O)CC(C(=O)O)C(O)C(=O)O MCULE-1207186330 [0,1,0,0,1,0|1,0,0]=3 36 B12R0.43 O=C(O)CC(C(=O)O)C(O)C(=O)[O-] MCULE-3358127861 [0,1,0,0,1,0|1,0,1]=4 37 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|1,0,1]=4 38 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|1,0,1]=4 39 B12R0.393 CC(=O)N(CC(=O)O)CP(=O)(O)O MCULE-5056027748 [0,1,0,0,1,0|2,0,0]=4 40 B12R0.393 O=C(O)CC(CP(=O)(O)O)C(=O)O MCULE-7584369439 [0,1,0,0,1,0|2,0,0]=4 41 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O MCULE-2660877701 [0,1,0,0,1,0|1,0,0]=3 42 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O MCULE-2931604113 [0,1,0,0,1,0|1,0,0]=3 43 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O MCULE-3614590728 [0,1,0,0,1,0|1,0,0]=3 44 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O MCULE-3854575300 [0,1,0,0,1,0|1,0,0]=3 45 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O MCULE-3884812253 [0,1,0,0,1,0|1,0,0]=3 46 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O MCULE-5083901722 [0,1,0,0,1,0|1,0,0]=3 47 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O MCULE-5494663375 [0,1,0,0,1,0|1,0,0]=3 48 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O MCULE-6168221722 [0,1,0,0,1,0|1,0,0]=3 49 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O MCULE-7286832107 [0,1,0,0,1,0|1,0,0]=3 50 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O MCULE-7461989018 [0,1,0,0,1,0|1,0,0]=3 51 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O MCULE-7981253226 [0,1,0,0,1,0|1,0,0]=3 52 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O MCULE-8070167250 [0,1,0,0,1,0|1,0,0]=3 53 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O MCULE-8474985285 [0,1,0,0,1,0|1,0,0]=3 54 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O MCULE-9281390239 [0,1,0,0,1,0|1,0,0]=3 55 B12R0.694 O=C([O-])CC(O)(CC(=O)O)C(=O)O MCULE-3431792506 [0,1,0,0,1,0|1,0,1]=4 56 B14R0.1458 COC(=O)CN(CC(=O)OC)NC(=O)N MCULE-7803427329 [0,2,0,0,0,0|2,0,0]=4 57 B12R1.101 NC(=O)CN1CC(=O)NC(=O)C1 MCULE-1096711529 [1,0,0,1,0,0|2,0,0]=4 58 B12R1.101 O=C(O)CC1CC(=O)NC(=O)C1 MCULE-1687956782 [1,0,0,1,0,0|2,0,0]=4 59 B12R1.101 O=C(O)CN1CC(=O)NC(=O)C1 MCULE-6478189605 [1,0,0,1,0,0|1,0,0]=3 60 B12R1.101 O=C(O)CN1CC(=O)OC(=O)C1 MCULE-6278404161 [1,0,0,1,0,0|0,0,0]=2 61 B12R1.392 O=C(O)CN1CCCC1C(=O)O MCULE-3986378820 [1,0,0,1,0,0|1,0,1]=4 62 B12R1.850 O=C1CC(C(C1)C(=O)O)C(=O)O MCULE-4393869476 [0,0,0,1,1,0|2,0,0]=4 63 B12R1.850 O=C1CC(C(O1)C(=O)O)C(=O)O MCULE-6848457652 [0,0,0,1,1,0|1,0,0]=3 64 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 65 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|1,0,0]=3 66 B10R0.23 O=CNC(CC(=O)O)C(=O)O MCULE-1319737382 [1,0,0,0,1,0|2,0,0]=4 67 B12R0.138 O=C(O)C/C=C(\CC(=O)O)/C(=O)O MCULE-2192027081 [0,0,0,0,1,1|1,0,0]=3 68 B12R0.138 O=C(O)CC=C(CC(=O)O)C(=O)O MCULE-5009214475 [0,0,0,0,1,1|1,0,0]=3 69 B12R0.138 O=C(O)CCC(CC(=O)O)C(=O)O MCULE-2741994268 [0,0,0,0,1,1|1,0,0]=3 70 B12R0.138 O=C(O)CSC(CC(=O)O)C(=O)O MCULE-6689291865 [0,0,0,0,1,1|1,0,0]=3