0 B17R1.7954 NCC(=O)NC(CC1=CC=C(C=C1)O)C(=O)O MCULE-6628542658 [0,0,0,0,0,0|0,0,0]=0 1 B17R1.7954 NCC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)O MCULE-6329282595 [0,0,0,0,0,0|0,0,0]=0 2 B17R1.7954 NCC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)O MCULE-8379516554 [0,0,0,0,0,0|0,0,0]=0 3 B17R1.7954 O=C(CCl)NC(CC1=CC=C(C=C1)O)C(=O)O MCULE-6074252538 [0,0,0,0,0,0|1,0,0]=1 4 B17R1.7954 O=C(CCl)N[C@@H](CC1=CC=C(C=C1)O)C(=O)O MCULE-3371076085 [0,0,0,0,0,0|1,0,0]=1 5 B17R1.7954 O=C(CCl)N[C@@H](CC1=CC=C(C=C1)O)C(=O)O MCULE-7374982427 [0,0,0,0,0,0|1,0,0]=1 6 B16R1.6729 CC(=O)C(CC1=CC=CC=C1)NC(=O)CCl MCULE-7822706860 [1,0,0,0,0,0|2,0,0]=3 7 B16R1.6729 COC(=O)NC(CC1=CC=CC=C1)C(=O)N MCULE-8544440951 [1,0,0,0,0,0|3,0,0]=4 8 B16R1.6729 COC(=O)NC(CC1=CC=CC=C1)C(=O)O MCULE-4943020961 [1,0,0,0,0,0|2,0,0]=3 9 B16R1.6729 COC(=O)NC(CC1=CC=CC=C1)C(=O)O MCULE-6508396673 [1,0,0,0,0,0|2,0,0]=3 10 B16R1.6729 COC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O MCULE-3444582739 [1,0,0,0,0,0|2,0,0]=3 11 B16R1.6729 COC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O MCULE-6037843909 [1,0,0,0,0,0|2,0,0]=3 12 B16R1.6729 COC(=O)N[C@H](CC1=CC=CC=C1)C(=O)O MCULE-4492216945 [1,0,0,0,0,0|2,0,0]=3 13 B16R1.6729 COC(=O)N[C@H](CC1=CC=CC=C1)C(=O)O MCULE-5221161339 [1,0,0,0,0,0|2,0,0]=3 14 B16R1.6729 NCC(=O)NC(CC1=CC=CC=C1)C(=O)O MCULE-3792651282 [1,0,0,0,0,0|0,0,0]=1 15 B16R1.6729 NCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O MCULE-1865746021 [1,0,0,0,0,0|0,0,0]=1 16 B16R1.6729 O=C(CCl)NC(CC1=CC=CC=C1)C(=O)O MCULE-4273763339 [1,0,0,0,0,0|1,0,0]=2 17 B16R1.6729 O=C(CCl)N[C@@H](CC1=CC=CC=C1)C(=O)O MCULE-2179824638 [1,0,0,0,0,0|1,0,0]=2 18 B16R1.6729 O=C(CCl)N[C@@H](CC1=CC=CC=C1)C(=O)O MCULE-5089412814 [1,0,0,0,0,0|1,0,0]=2 19 B16R1.6729 O=C(CCl)N[C@H](CC1=CC=CC=C1)C(=O)O MCULE-3735985993 [1,0,0,0,0,0|1,0,0]=2 20 B16R1.6729 O=C(CCl)N[C@H](CC1=CC=CC=C1)C(=O)O MCULE-5386800217 [1,0,0,0,0,0|1,0,0]=2 21 B16R1.6729 [C@@H](CC1=CC=CC=C1)(NC(=O)CN)C(=O)O MCULE-3602330243 [1,0,0,0,0,0|0,0,0]=1 22 B16R1.6927 CC(=O)N/C(=C\C1=CC=C(C=C1)Cl)/C(=O)O MCULE-9438358904 [1,0,0,0,0,0|1,0,2]=4 23 B16R1.6927 CC(=O)NC(=CC1=CC=C(C=C1)Br)C(=O)O MCULE-4445529718 [1,0,0,0,0,0|1,0,2]=4 24 B16R1.6927 CC(=O)NC(=CC1=CC=C(C=C1)C)C(=O)O MCULE-7350003526 [1,0,0,0,0,0|1,0,2]=4 25 B16R1.6927 CC(=O)NC(=CC1=CC=C(C=C1)Cl)C(=O)O MCULE-6987554613 [1,0,0,0,0,0|1,0,2]=4 26 B16R1.6927 CC(=O)NC(=CC1=CC=C(C=C1)F)C(=O)O MCULE-7217689865 [1,0,0,0,0,0|1,0,2]=4 27 B16R1.6927 CC(=O)NC(CC1=CC=C(C=C1)Br)C(=O)O MCULE-5216736769 [1,0,0,0,0,0|1,0,0]=2 28 B16R1.6927 CC(=O)NC(CC1=CC=C(C=C1)Cl)C(=O)O MCULE-2518070213 [1,0,0,0,0,0|1,0,0]=2 29 B16R1.6927 CC(=O)NC(CC1=CC=C(C=C1)F)C(=O)O MCULE-1596649664 [1,0,0,0,0,0|1,0,0]=2 30 B16R1.6927 CC(=O)NC(CC1=CC=C(C=C1)I)C(=O)O MCULE-8475341249 [1,0,0,0,0,0|1,0,0]=2 31 B16R1.6927 CC(=O)NC(CC1=CC=C(C=C1)O)C(=O)C MCULE-8845886523 [1,0,0,0,0,0|1,0,0]=2 32 B16R1.6927 CC(=O)NC(CC1=CC=C(C=C1)O)C(=O)N MCULE-7080407463 [1,0,0,0,0,0|1,0,0]=2 33 B16R1.6927 CC(=O)NC(CC1=CC=C(C=C1)O)C(=O)O MCULE-3253015023 [1,0,0,0,0,0|0,0,0]=1 34 B16R1.6927 CC(=O)N[C@@H](CC1=CC=C(C=C1)Br)C(=O)O MCULE-2362672524 [1,0,0,0,0,0|1,0,0]=2 35 B16R1.6927 CC(=O)N[C@@H](CC1=CC=C(C=C1)Br)C(=O)O MCULE-5006749935 [1,0,0,0,0,0|1,0,0]=2 36 B16R1.6927 CC(=O)N[C@@H](CC1=CC=C(C=C1)Cl)C(=O)O MCULE-6535308054 [1,0,0,0,0,0|1,0,0]=2 37 B16R1.6927 CC(=O)N[C@@H](CC1=CC=C(C=C1)Cl)C(=O)O MCULE-9517456648 [1,0,0,0,0,0|1,0,0]=2 38 B16R1.6927 CC(=O)N[C@@H](CC1=CC=C(C=C1)F)C(=O)O MCULE-5438320865 [1,0,0,0,0,0|1,0,0]=2 39 B16R1.6927 CC(=O)N[C@@H](CC1=CC=C(C=C1)N)C(=O)O MCULE-5111775698 [1,0,0,0,0,0|1,0,0]=2 40 B16R1.6927 CC(=O)N[C@@H](CC1=CC=C(C=C1)N)C(=O)O MCULE-7324042763 [1,0,0,0,0,0|1,0,0]=2 41 B16R1.6927 CC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N MCULE-3056014953 [1,0,0,0,0,0|1,0,0]=2 42 B16R1.6927 CC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N MCULE-4748033966 [1,0,0,0,0,0|1,0,0]=2 43 B16R1.6927 CC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)O MCULE-5263649721 [1,0,0,0,0,0|0,0,0]=1 44 B16R1.6927 CC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)O MCULE-5682450841 [1,0,0,0,0,0|0,0,0]=1 45 B16R1.6927 CC(=O)N[C@H](CC1=CC=C(C=C1)Cl)C(=O)O MCULE-3605735817 [1,0,0,0,0,0|1,0,0]=2 46 B16R1.6927 CC(=O)N[C@H](CC1=CC=C(C=C1)Cl)C(=O)O MCULE-5734890580 [1,0,0,0,0,0|1,0,0]=2 47 B16R1.6927 CC(=O)N[C@H](CC1=CC=C(C=C1)I)C(=O)O MCULE-2019559496 [1,0,0,0,0,0|1,0,0]=2 48 B16R1.6927 CC(=O)N[C@H](CC1=CC=C(C=C1)I)C(=O)O MCULE-4489716775 [1,0,0,0,0,0|1,0,0]=2 49 B16R1.6927 CC(=O)N[C@H](CC1=CC=C(C=C1)O)C(=O)O MCULE-4675268813 [1,0,0,0,0,0|0,0,0]=1 50 B16R1.6927 CC(=O)N[C@H](CC1=CC=C(C=C1)O)C(=O)O MCULE-6575205127 [1,0,0,0,0,0|0,0,0]=1 51 B16R1.6927 CC(C)N[C@@H](CC1=CC=C(C=C1)O)C(=O)O MCULE-3016985444 [1,0,0,0,0,0|1,0,1]=3 52 B16R1.6927 CC1=CC=C(C=C1)CC(CC(=O)O)C(=O)O MCULE-7766497242 [1,0,0,0,0,0|3,0,0]=4 53 B16R1.6927 NC(=O)NC(CC1=CC=C(C=C1)O)C(=O)O MCULE-5904856946 [1,0,0,0,0,0|0,0,0]=1 54 B16R1.6927 NC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)O MCULE-1964152581 [1,0,0,0,0,0|0,0,0]=1 55 B16R1.6927 O=C(O)CC(CC1=CC=C(C=C1)Br)C(=O)O MCULE-6159636257 [1,0,0,0,0,0|3,0,0]=4 56 B16R1.6927 O=C(O)CC(CC1=CC=C(C=C1)Cl)C(=O)O MCULE-7084831539 [1,0,0,0,0,0|3,0,0]=4 57 B16R1.6927 O=C(O)CC(CC1=CC=C(C=C1)F)C(=O)O MCULE-1896847321 [1,0,0,0,0,0|3,0,0]=4 58 B16R1.6927 [C@H](CC1=CC=C(C=C1)O)(NC(=O)C)C(=O)N MCULE-3164881513 [1,0,0,0,0,0|1,0,0]=2 59 B18R1.32738 CC(N)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)O MCULE-5850552261 [0,1,0,0,0,0|0,0,0]=1 60 B18R1.32738 CC(N)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)O MCULE-6778899056 [0,1,0,0,0,0|0,0,0]=1 61 B18R1.32738 C[C@H](N)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)O MCULE-2353320167 [0,1,0,0,0,0|0,0,0]=1 62 B18R1.32738 C[C@H](N)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)O MCULE-6079820570 [0,1,0,0,0,0|0,0,0]=1 63 B18R2.29863 CC1NC(=O)C(NC1=O)CC2=CC=C(C=C2)O MCULE-5606835394 [0,0,0,1,0,0|2,0,0]=3 64 B16R1.17392 C=CC(=O)NC(C(=O)O)C1=CC=C(C=C1)O MCULE-7740512059 [0,0,0,0,1,0|1,0,1]=3 65 B15R1.3565 C(CC1=CC=CC=C1)(NC(=O)C)C(=O)N MCULE-8359058396 [2,0,0,0,0,0|1,0,0]=3 66 B15R1.3565 CC(=O)N/C(=C/C1=CC=CC=C1)/C(=O)O MCULE-6676210219 [2,0,0,0,0,0|0,0,2]=4 67 B15R1.3565 CC(=O)N/C(=C\C1=CC=CC=C1)/C(=O)O MCULE-8035335415 [2,0,0,0,0,0|0,0,2]=4 68 B15R1.3565 CC(=O)N=C(CC1=CC=CC=C1)C(=O)O MCULE-2563279561 [2,0,0,0,0,0|0,0,2]=4 69 B15R1.3565 CC(=O)NC(=CC1=CC=CC=C1)C(=O)O MCULE-9383114460 [2,0,0,0,0,0|0,0,2]=4 70 B15R1.3565 CC(=O)NC(CC1=CC=CC=C1)C(=O)C MCULE-9665159049 [2,0,0,0,0,0|1,0,0]=3 71 B15R1.3565 CC(=O)NC(CC1=CC=CC=C1)C(=O)O MCULE-3015745479 [2,0,0,0,0,0|0,0,0]=2 72 B15R1.3565 CC(=O)NC(CC1=CC=CC=C1)C(=O)O MCULE-4519106346 [2,0,0,0,0,0|0,0,0]=2 73 B15R1.3565 CC(=O)NC(CC1=CC=CC=C1)C(=O)[O-] MCULE-3735592766 [2,0,0,0,0,0|0,0,1]=3 74 B15R1.3565 CC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N MCULE-1772721505 [2,0,0,0,0,0|1,0,0]=3 75 B15R1.3565 CC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N MCULE-2850585620 [2,0,0,0,0,0|1,0,0]=3 76 B15R1.3565 CC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O MCULE-1736282363 [2,0,0,0,0,0|0,0,0]=2 77 B15R1.3565 CC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O MCULE-7198989567 [2,0,0,0,0,0|0,0,0]=2 78 B15R1.3565 CC(=O)N[C@@H](CC1=NC=CC=C1)C(=O)O MCULE-9086623913 [2,0,0,0,0,0|1,0,0]=3 79 B15R1.3565 CC(=O)N[C@H](CC1=CC=CC=C1)C(=O)O MCULE-5026728797 [2,0,0,0,0,0|0,0,0]=2 80 B15R1.3565 CC(=O)N[C@H](CC1=CC=CC=C1)C(=O)O MCULE-6833489242 [2,0,0,0,0,0|0,0,0]=2 81 B15R1.3565 CC(=O)OC(CC1=CC=CC=C1)C(=O)O MCULE-9069065686 [2,0,0,0,0,0|1,0,0]=3 82 B15R1.3565 CC(=O)O[C@@H](CC1=CC=CC=C1)C(=O)O MCULE-2682510340 [2,0,0,0,0,0|1,0,0]=3 83 B15R1.3565 CC(=O)O[C@@H](CC1=CC=CC=C1)C(=O)O MCULE-6624411562 [2,0,0,0,0,0|1,0,0]=3 84 B15R1.3565 CC(=O)S[C@H](CC1=CC=CC=C1)C(=O)O MCULE-1977160569 [2,0,0,0,0,0|1,0,0]=3 85 B15R1.3565 CC(C)NC(CC1=CC=CC=C1)C(=O)O MCULE-4307970938 [2,0,0,0,0,0|1,0,1]=4 86 B15R1.3565 CC(C)NC(CC1=CC=CC=C1)C(=O)O MCULE-5854878082 [2,0,0,0,0,0|1,0,1]=4 87 B15R1.3565 N=C(N)NC(CC1=CC=CC=C1)C(=O)O MCULE-7855175830 [2,0,0,0,0,0|1,0,0]=3 88 B15R1.3565 N=C(N)N[C@@H](CC1=CC=CC=C1)C(=O)O MCULE-9192601189 [2,0,0,0,0,0|1,0,0]=3 89 B15R1.3565 NC(=O)NC(CC1=CC=CC=C1)C(=O)O MCULE-8566868807 [2,0,0,0,0,0|0,0,0]=2 90 B15R1.3565 NC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O MCULE-4234577728 [2,0,0,0,0,0|0,0,0]=2 91 B15R1.3565 NC(=S)NC(CC1=CC=CC=C1)C(=O)O MCULE-9663132720 [2,0,0,0,0,0|0,1,0]=3 92 B15R1.3565 O=C(O)CC(CC1=CC=CC=C1)C(=O)O MCULE-2903742079 [2,0,0,0,0,0|2,0,0]=4 93 B15R1.3565 O=C(O)CC(CC1=CC=CC=C1)C(=O)O MCULE-7998258381 [2,0,0,0,0,0|2,0,0]=4 94 B15R1.3565 O=C(O)C[C@@H](CC1=CC=CC=C1)C(=O)O MCULE-5379915894 [2,0,0,0,0,0|2,0,0]=4 95 B15R1.3565 O=C(O)C[C@H](CC1=CC=CC=C1)C(=O)O MCULE-2870209733 [2,0,0,0,0,0|2,0,0]=4 96 B15R1.3565 O=C(O)C[C@H](CC1=CC=CC=C1)C(=O)O MCULE-5007075982 [2,0,0,0,0,0|2,0,0]=4 97 B15R1.3565 [C@H](CC(=O)O)(CC1=CC=CC=C1)C(=O)O MCULE-9882574781 [2,0,0,0,0,0|2,0,0]=4 98 B15R1.3922 NCCCC(CC1=CC=CC=C1)C(=O)O MCULE-2663141103 [2,0,0,0,0,0|1,0,1]=4 99 B15R1.3922 NCCCC(CC1=CC=CC=C1)C(=O)O MCULE-5076292787 [2,0,0,0,0,0|1,0,1]=4 100 B15R1.1295 CCOC(CC1=CC=C(C=C1)O)C(=O)O MCULE-7919063826 [2,0,0,0,0,0|1,0,1]=4 101 B15R1.1295 CCO[C@@H](CC1=CC=C(C=C1)O)C(=O)O MCULE-5269695503 [2,0,0,0,0,0|1,0,1]=4 102 B15R1.1295 CCO[C@@H](CC1=CC=C(C=C1)O)C(=O)O MCULE-9829756291 [2,0,0,0,0,0|1,0,1]=4 103 B15R1.1295 O=CNC(CC1=CC=C(C=C1)I)C(=O)O MCULE-2685509238 [2,0,0,0,0,0|1,0,0]=3 104 B15R1.1295 O=CNC(CC1=CC=C(C=C1)O)C(=O)O MCULE-1101349598 [2,0,0,0,0,0|0,0,0]=2 105 B15R1.1295 O=CN[C@@H](CC1=CC=C(C=C1)I)C(=O)O MCULE-7482714239 [2,0,0,0,0,0|1,0,0]=3 106 B15R1.1295 O=CN[C@@H](CC1=CC=C(C=C1)I)C(=O)O MCULE-8750794144 [2,0,0,0,0,0|1,0,0]=3 107 B15R1.1295 O=CN[C@@H](CC1=CC=C(C=C1)O)C(=O)O MCULE-4274998340 [2,0,0,0,0,0|0,0,0]=2 108 B15R1.1295 O=CN[C@@H](CC1=CC=C(C=C1)O)C(=O)O MCULE-5381941789 [2,0,0,0,0,0|0,0,0]=2 109 B17R1.5389 C(CC1=CC=CC=C1)(NC(=O)OCC)C(=O)O MCULE-4881906194 [1,1,0,0,0,0|1,0,0]=3 110 B17R1.5389 CCOC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O MCULE-2018360017 [1,1,0,0,0,0|1,0,0]=3 111 B17R1.5389 CCOC(=O)N[C@H](CC1=CC=CC=C1)C(=O)O MCULE-1071593042 [1,1,0,0,0,0|1,0,0]=3 112 B17R1.5389 [C@@H](CC1=CC=CC=C1)(NC(=O)OCC)C(=O)O MCULE-1640476510 [1,1,0,0,0,0|1,0,0]=3 113 B17R1.7966 CCC(=O)NC(CC1=CC=CC=C1)C(=O)NN MCULE-7763261101 [1,1,0,0,0,0|2,0,0]=4 114 B17R1.7966 COC(=O)C(CC1=CC=CC=C1)NC(=O)CCl MCULE-6369774088 [1,1,0,0,0,0|1,0,0]=3 115 B17R1.7966 COC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)OC MCULE-9112725270 [1,1,0,0,0,0|2,0,0]=4 116 B17R1.7966 COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CCl MCULE-2903162342 [1,1,0,0,0,0|1,0,0]=3 117 B17R1.25004 CCC(=O)NC(C(=O)O)C(O)C1=CC=CC=C1 MCULE-5115218416 [1,1,0,0,0,0|1,0,0]=3 118 B17R1.36429 CC(Br)C(=O)NC(CC1=CC=CC=C1)C(=O)O MCULE-1454635888 [1,1,0,0,0,0|1,0,0]=3 119 B17R1.36429 CC(N)C(=O)NC(CC1=CC=CC=C1)C(=O)O MCULE-6186580574 [1,1,0,0,0,0|0,0,0]=2 120 B17R1.36429 CC(O)C(=O)NC(CC1=CC=CC=C1)C(=O)O MCULE-6344096141 [1,1,0,0,0,0|1,0,0]=3 121 B17R1.36429 C[C@@H](N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O MCULE-2304095533 [1,1,0,0,0,0|0,0,0]=2 122 B17R1.36429 C[C@@H](N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O MCULE-6183682368 [1,1,0,0,0,0|0,0,0]=2 123 B17R1.36429 C[C@H](N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N MCULE-2681891729 [1,1,0,0,0,0|1,0,0]=3 124 B17R1.36429 C[C@H](N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N MCULE-3682862988 [1,1,0,0,0,0|1,0,0]=3 125 B17R1.36429 C[C@H](N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O MCULE-3186024561 [1,1,0,0,0,0|0,0,0]=2 126 B17R1.36429 C[C@H](N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O MCULE-8864814338 [1,1,0,0,0,0|0,0,0]=2 127 B17R1.36429 C[C@H](N)C(=O)N[C@H](CC1=CC=CC=C1)C(=O)O MCULE-5859953995 [1,1,0,0,0,0|0,0,0]=2 128 B17R1.36429 C[C@H](O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O MCULE-9480800652 [1,1,0,0,0,0|1,0,0]=3 129 B17R1.36429 O=C(O)C(=O)NC(CC1=CC=CC=C1)C(=O)O MCULE-9730119787 [1,1,0,0,0,0|1,0,1]=4 130 B17R1.36429 [C@@H](C)(N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O MCULE-6213421613 [1,1,0,0,0,0|0,0,0]=2 131 B17R1.268 CC(=O)NC(CC1=CC=C(C=C1)C#N)C(=O)O MCULE-1832196553 [1,1,0,0,0,0|1,0,0]=3 132 B17R1.268 COC1=CC=C(C=C1)/C=C(/NC(=O)C)\C(=O)O MCULE-4241199616 [1,1,0,0,0,0|0,0,2]=4 133 B17R1.268 COC1=CC=C(C=C1)C=C(NC(=O)C)C(=O)O MCULE-6670190563 [1,1,0,0,0,0|0,0,2]=4 134 B17R1.268 COC1=CC=C(C=C1)CC(CC(=O)O)C(=O)O MCULE-3627564279 [1,1,0,0,0,0|2,0,0]=4 135 B17R1.268 COC1=CC=C(C=C1)CC(NC(=O)C)C(=O)O MCULE-4309352441 [1,1,0,0,0,0|0,0,0]=2 136 B17R1.268 COC1=CC=C(C=C1)C[C@H](NC(=O)C)C(=O)O MCULE-3276180237 [1,1,0,0,0,0|0,0,0]=2 137 B17R1.268 COC1=CC=C(C=C1)C[C@H](NC(=O)C)C(=O)O MCULE-6719665060 [1,1,0,0,0,0|0,0,0]=2 138 B17R1.23636 CC(=O)NC(CC1=CC(=C(C=C1)F)F)C(=O)O MCULE-2635856924 [1,1,0,0,0,0|1,0,0]=3 139 B17R1.23636 CC(=O)NC(CC1=CC(=C(C=C1)O)I)C(=O)N MCULE-2655068574 [1,1,0,0,0,0|1,0,0]=3 140 B17R1.23636 CC(=O)NC(CC1=CC=C(C(=C1)C)C)C(=O)O MCULE-7801069925 [1,1,0,0,0,0|1,0,0]=3 141 B17R1.23636 CC(=O)NC(CC1=CC=C(C(=C1)F)O)C(=O)O MCULE-2159892212 [1,1,0,0,0,0|0,0,0]=2 142 B17R1.23636 CC(=O)N[C@@H](CC1=CC=C(C(=C1)F)O)C(=O)O MCULE-8012445661 [1,1,0,0,0,0|0,0,0]=2 143 B17R1.23636 CC(=O)N[C@@H](CC1=CC=C(C(=C1)I)O)C(=O)N MCULE-5350072621 [1,1,0,0,0,0|1,0,0]=3 144 B17R1.23636 NC(=O)NC(CC1=CC=C(C(=C1)O)O)C(=O)O MCULE-7003161482 [1,1,0,0,0,0|0,0,0]=2 145 B17R1.23636 NC(=S)NC(CC1=CC=C(C(=C1)O)O)C(=O)O MCULE-3859619342 [1,1,0,0,0,0|0,1,0]=3 146 B17R1.23809 CC(=O)NC(CC1=CC=C(C=C1)O)C(=O)NN MCULE-9231164432 [1,1,0,0,0,0|1,0,0]=3 147 B17R1.23809 CC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)NN MCULE-2287188057 [1,1,0,0,0,0|1,0,0]=3 148 B17R1.23809 CC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)NN MCULE-9379557362 [1,1,0,0,0,0|1,0,0]=3 149 B17R1.23809 CNC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C MCULE-8164204599 [1,1,0,0,0,0|1,0,0]=3 150 B17R1.23809 CNC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)C MCULE-1582840447 [1,1,0,0,0,0|1,0,0]=3 151 B17R1.23809 CNC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)C MCULE-2044390724 [1,1,0,0,0,0|1,0,0]=3 152 B17R1.23809 COC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C MCULE-2636294772 [1,1,0,0,0,0|0,0,0]=2 153 B17R1.23809 COC(=O)[C@@H](CC1=CC=C(C=C1)O)NC(=O)C MCULE-3506672244 [1,1,0,0,0,0|0,0,0]=2 154 B17R1.23809 COC(=O)[C@@H](CC1=CC=C(C=C1)O)NC(=O)C MCULE-5307815180 [1,1,0,0,0,0|0,0,0]=2 155 B17R1.23809 COC(=O)[C@H](CC1=CC=C(C=C1)N)NC(=O)C MCULE-2928128386 [1,1,0,0,0,0|1,0,0]=3 156 B17R1.23809 COC(=O)[C@H](CC1=CC=C(C=C1)N)NC(=O)C MCULE-4148632893 [1,1,0,0,0,0|1,0,0]=3 157 B17R1.23809 COC(=O)[C@H](CC1=CC=C(C=C1)N)NC(=O)C MCULE-5523065662 [1,1,0,0,0,0|1,0,0]=3 158 B17R1.23809 COC(=O)[C@H](CC1=CC=C(C=C1)N)NC(=O)C MCULE-9217171407 [1,1,0,0,0,0|1,0,0]=3 159 B17R1.23809 COC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)C MCULE-3011069516 [1,1,0,0,0,0|0,0,0]=2 160 B17R1.23809 COC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)C MCULE-7697558792 [1,1,0,0,0,0|0,0,0]=2 161 B17R1.4958 CCCN[C@@H](CC1=CC=C(C=C1)O)C(=O)OC MCULE-3743275830 [1,1,0,0,0,0|1,0,1]=4 162 B19R1.146657 O=C(O)C(CC1=CC=C(C=C1)O)NC(=O)C(F)(F)F MCULE-3984117799 [0,2,0,0,0,0|1,0,0]=3 163 B19R1.27652 C=CCOC(=O)N[C@@H](CC1=CC=C(C=C1)Br)C(=O)O MCULE-7723665887 [0,2,0,0,0,0|2,0,0]=4 164 B19R1.27652 C=CCOC(=O)N[C@@H](CC1=CC=C(C=C1)F)C(=O)O MCULE-1680965472 [0,2,0,0,0,0|2,0,0]=4 165 B19R1.43201 CC(=O)CC(=O)NC(CC1=CC=C(C=C1)O)C(=O)O MCULE-9425195775 [0,2,0,0,0,0|1,0,0]=3 166 B17R2.467 O=C1CNC(=O)C(N1)CC2=CC=C(C=C2)O MCULE-3428896162 [1,0,0,1,0,0|0,0,0]=2 167 B17R2.467 O=C1CNC(=O)[C@@H](N1)CC2=CC=C(C=C2)O MCULE-4294748073 [1,0,0,1,0,0|0,0,0]=2 168 B17R2.5352 CC1NC(=O)C(NC1=O)CC2=CC=CC=C2 MCULE-4521818975 [1,0,0,1,0,0|2,0,0]=4 169 B17R2.3280 O=C1CC(C(C1)C2=CC=C(C=C2)F)C(=O)O MCULE-3455444364 [1,0,0,1,0,0|2,0,0]=4 170 B17R2.3280 O=C1CC(C(N1)C(=O)O)C2=CC=C(C=C2)Cl MCULE-2342831978 [1,0,0,1,0,0|1,0,0]=3 171 B17R2.3280 O=C1CC(C(N1)C(=O)O)C2=CC=C(C=C2)F MCULE-6953781677 [1,0,0,1,0,0|1,0,0]=3 172 B17R2.3280 O=C1C[C@H]([C@@H](C1)C2=CC=C(C=C2)F)C(=O)O MCULE-4928987944 [1,0,0,1,0,0|2,0,0]=4 173 B17R2.3280 O=C1C[C@H]([C@@H](C1)C2=CC=C(C=C2)F)C(=O)O MCULE-7346219294 [1,0,0,1,0,0|2,0,0]=4 174 B17R2.3280 O=C1C[C@H]([C@@H](C1)C2=CC=C(C=C2)F)C(=O)O MCULE-9405620612 [1,0,0,1,0,0|2,0,0]=4 175 B17R2.38552 CC(=O)NC1=CC2=C(C=C(C=C2)O)OC1=O MCULE-9978157792 [1,0,0,1,0,0|0,0,2]=4 176 B19R2.5050 COC1=CC=C(C=C1)C[C@@H]2NC(=O)[C@@H](NC2=O)C MCULE-2786363553 [0,1,0,1,0,0|2,0,0]=4 177 B19R2.193899 O=C1N[C@H](C(=O)N[C@H]1CO)CC2=CC=C(C=C2)O MCULE-1034337738 [0,1,0,1,0,0|2,0,0]=4 178 B19R2.193899 O=C1N[C@H](C(=O)N[C@H]1CO)CC2=CC=C(C=C2)O MCULE-6333510188 [0,1,0,1,0,0|2,0,0]=4 179 B15R1.5390 NCC(=O)NC(CC1=CN=CN1)C(=O)O MCULE-6717568372 [1,0,0,0,1,0|2,0,0]=4 180 B15R1.5390 NCC(=O)NC(CC1=CNC=N1)C(=O)O MCULE-9824153492 [1,0,0,0,1,0|2,0,0]=4 181 B15R1.5390 NCC(=O)N[C@@H](CC1=CNC=N1)C(=O)O MCULE-4346760160 [1,0,0,0,1,0|2,0,0]=4 182 B15R1.11817 CCC(=O)NC(C(=O)O)C1=CC=CC=C1 MCULE-6106074292 [1,0,0,0,1,0|1,0,0]=3 183 B15R1.11817 COC(=O)NC(C(=O)O)C1=CC=CC=C1 MCULE-1670354720 [1,0,0,0,1,0|2,0,0]=4 184 B15R1.11817 COC(=O)NC(C(=O)O)C1=CC=CC=C1 MCULE-4196482002 [1,0,0,0,1,0|2,0,0]=4 185 B15R1.11817 COC(=O)N[C@@H](C(=O)O)C1=CC=CC=C1 MCULE-7663772984 [1,0,0,0,1,0|2,0,0]=4 186 B15R1.11817 COC(=O)N[C@@H](C(=O)O)C1=CC=CC=C1 MCULE-8979024790 [1,0,0,0,1,0|2,0,0]=4 187 B15R1.11817 COC(=O)N[C@H](C(=O)O)C1=CC=CC=C1 MCULE-2736172379 [1,0,0,0,1,0|2,0,0]=4 188 B15R1.11817 COC(=O)N[C@H](C(=O)O)C1=CC=CC=C1 MCULE-8919054720 [1,0,0,0,1,0|2,0,0]=4 189 B15R1.11817 O=C(CCl)NC(C(=O)O)C1=CC=CC=C1 MCULE-4430276075 [1,0,0,0,1,0|1,0,0]=3 190 B15R1.11817 O=C(CCl)N[C@H](C(=O)O)C1=CC=CC=C1 MCULE-8967929714 [1,0,0,0,1,0|1,0,0]=3 191 B15R1.922 CC(=O)NC(C(=O)O)C1=CC=C(C=C1)F MCULE-5652370857 [1,0,0,0,1,0|1,0,0]=3 192 B15R1.922 CC(=O)NC(C(=O)O)C1=CC=C(C=C1)O MCULE-4977031558 [1,0,0,0,1,0|0,0,0]=2 193 B15R1.922 CC(=O)N[C@@H](C(=O)O)C1=CC=C(C=C1)F MCULE-2385998955 [1,0,0,0,1,0|1,0,0]=3 194 B15R1.922 CC(=O)N[C@@H](C(=O)O)C1=CC=C(C=C1)F MCULE-6332508966 [1,0,0,0,1,0|1,0,0]=3 195 B15R1.922 CC(=O)N[C@H](C(=O)O)C1=CC=C(C=C1)F MCULE-4958843201 [1,0,0,0,1,0|1,0,0]=3 196 B15R1.922 CC(=O)N[C@H](C(=O)O)C1=CC=C(C=C1)F MCULE-9520599949 [1,0,0,0,1,0|1,0,0]=3 197 B15R1.922 CC(=O)OC(C(=O)O)C1=CC=C(C=C1)Cl MCULE-2208396091 [1,0,0,0,1,0|2,0,0]=4 198 B15R1.11335 CC(=O)C(CC1=CC=C(C=C1)O)C(=O)C MCULE-7932523086 [1,0,0,0,1,0|1,0,0]=3 199 B15R1.11335 CN(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)O MCULE-5346987925 [1,0,0,0,1,0|2,0,0]=4 200 B15R1.11335 CN(C)[C@H](CC1=CC=C(C=C1)O)C(=O)O MCULE-1017016325 [1,0,0,0,1,0|2,0,0]=4 201 B15R1.11335 O=C(O)C(CC1=CC=C(C=C1)Br)C(=O)O MCULE-6363357139 [1,0,0,0,1,0|2,0,0]=4 202 B15R1.11335 O=C(O)C(CC1=CC=C(C=C1)Cl)C(=O)O MCULE-3208860243 [1,0,0,0,1,0|2,0,0]=4 203 B15R1.11335 O=C(O)C(CC1=CC=C(C=C1)O)C(=O)O MCULE-5923382507 [1,0,0,0,1,0|1,0,0]=3 204 B17R1.23826 COC(=O)NC(CCC1=CC=CC=C1)C(=O)O MCULE-5865923241 [1,0,0,0,0,1|2,0,0]=4 205 B17R1.23553 CC(=O)NC(CSC1=CC=C(C=C1)Br)C(=O)O MCULE-1280747732 [1,0,0,0,0,1|1,0,0]=3 206 B17R1.23553 CC(=O)NC(CSC1=CC=C(C=C1)Cl)C(=O)O MCULE-1783218093 [1,0,0,0,0,1|1,0,0]=3