0 B14R0.1418 CC(Cl)C(=O)NC(CCC(=O)N)C(=O)O MCULE-3687386644 [0,0,0,0,0,0|1,0,0]=1 1 B14R0.1418 CC(N)C(=O)NC(CCC(=O)N)C(=O)O MCULE-2362267167 [0,0,0,0,0,0|0,0,0]=0 2 B14R0.1418 CC(N)C(=O)NC(CCC(=O)O)C(=O)O MCULE-1123261561 [0,0,0,0,0,0|1,0,0]=1 3 B14R0.1418 C[C@@H](Cl)C(=O)N[C@@H](CCC(=O)N)C(=O)O MCULE-5149818881 [0,0,0,0,0,0|1,0,0]=1 4 B14R0.1418 C[C@@H](Cl)C(=O)N[C@@H](CCC(=O)N)C(=O)O MCULE-9043468513 [0,0,0,0,0,0|1,0,0]=1 5 B14R0.1418 C[C@@H](N)C(=O)N[C@@H](CCC(=O)N)C(=O)O MCULE-7598160962 [0,0,0,0,0,0|0,0,0]=0 6 B14R0.1418 C[C@H](N)C(=O)N[C@@H](CCC(=O)N)C(=O)O MCULE-4659818528 [0,0,0,0,0,0|0,0,0]=0 7 B14R0.1418 C[C@H](N)C(=O)N[C@@H](CCC(=O)N)C(=O)O MCULE-6729074661 [0,0,0,0,0,0|0,0,0]=0 8 B14R0.1418 C[C@H](N)C(=O)N[C@@H](CCC(=O)N)C(=O)O MCULE-7443573771 [0,0,0,0,0,0|0,0,0]=0 9 B14R0.1418 C[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-2057854789 [0,0,0,0,0,0|1,0,0]=1 10 B14R0.1418 C[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-2895373925 [0,0,0,0,0,0|1,0,0]=1 11 B14R0.1418 C[C@H](N)C(=O)N[C@H](CCC(=O)N)C(=O)O MCULE-5407627581 [0,0,0,0,0,0|0,0,0]=0 12 B14R0.1418 C[C@H](N)C(=O)N[C@H](CCC(=O)O)C(=O)N MCULE-3247042529 [0,0,0,0,0,0|2,0,0]=2 13 B13R0.160 CCCC[C@H](NC(=O)[C@H](C)N)C(=O)N MCULE-7844788263 [1,0,0,0,0,0|2,0,1]=4 14 B13R0.160 CCCC[C@H](NC(=O)[C@H](C)N)C(=O)O MCULE-8573086859 [1,0,0,0,0,0|1,0,1]=3 15 B13R0.160 CSCCC(NC(=O)C(C)N)C(=O)O MCULE-8637859348 [1,0,0,0,0,0|2,0,0]=3 16 B13R0.160 C[C@H](N)C(=O)N[C@@H](CCCN)C(=O)O MCULE-3529323883 [1,0,0,0,0,0|0,0,1]=2 17 B13R0.160 [C@@H](C)(N)C(=O)N[C@@H](CCSC)C(=O)O MCULE-9563309371 [1,0,0,0,0,0|2,0,0]=3 18 B13R0.256 C(CCC(=O)O)(NC(=O)CN)C(=O)O MCULE-8962658243 [1,0,0,0,0,0|1,0,0]=2 19 B13R0.256 NCC(=O)NC(CCC(=O)N)C(=O)O MCULE-3110531396 [1,0,0,0,0,0|0,0,0]=1 20 B13R0.256 NCC(=O)NC(CCC(=O)N)C(=O)O MCULE-6671616669 [1,0,0,0,0,0|0,0,0]=1 21 B13R0.256 NCC(=O)N[C@@H](CCC(=O)N)C(=O)O MCULE-1244645338 [1,0,0,0,0,0|0,0,0]=1 22 B13R0.256 NCC(=O)N[C@@H](CCC(=O)N)C(=O)O MCULE-2949815729 [1,0,0,0,0,0|0,0,0]=1 23 B13R0.256 NCC(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-5199747095 [1,0,0,0,0,0|1,0,0]=2 24 B13R0.256 NCC(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-6881676270 [1,0,0,0,0,0|1,0,0]=2 25 B13R0.256 NCC(=O)N[C@H](CCC(=O)N)C(=O)O MCULE-5116782906 [1,0,0,0,0,0|0,0,0]=1 26 B13R0.256 NCC(=O)N[C@H](CCC(=O)N)C(=O)O MCULE-6536814106 [1,0,0,0,0,0|0,0,0]=1 27 B13R0.613 CC(C)CC(NC(=O)C(C)N)C(=O)O MCULE-6436919328 [0,0,0,0,1,0|2,0,1]=4 28 B13R0.613 CC(C)C[C@@H](NC(=O)[C@@H](C)N)C(=O)O MCULE-4952589512 [0,0,0,0,1,0|2,0,1]=4 29 B13R0.613 CC(C)C[C@@H](NC(=O)[C@@H](C)N)C(=O)O MCULE-5867923331 [0,0,0,0,1,0|2,0,1]=4 30 B13R0.613 CC(C)C[C@@H](NC(=O)[C@@H](C)N)C(=O)O MCULE-6488083997 [0,0,0,0,1,0|2,0,1]=4 31 B13R0.613 CC(C)C[C@@H](NC(=O)[C@@H](C)N)C(=O)O MCULE-8082892291 [0,0,0,0,1,0|2,0,1]=4 32 B13R0.613 CC(C)C[C@H](NC(=O)[C@@H](C)N)C(=O)O MCULE-3599972274 [0,0,0,0,1,0|2,0,1]=4 33 B13R0.613 CC(C)C[C@H](NC(=O)[C@@H](C)N)C(=O)O MCULE-4590411212 [0,0,0,0,1,0|2,0,1]=4 34 B13R0.613 CC(C)C[C@H](NC(=O)[C@H](C)N)C(=O)O MCULE-1380277035 [0,0,0,0,1,0|2,0,1]=4 35 B13R0.613 CC(C)C[C@H](NC(=O)[C@H](C)N)C(=O)O MCULE-4549020826 [0,0,0,0,1,0|2,0,1]=4 36 B13R0.613 CC(C)C[C@H](NC(=O)[C@H](C)N)C(=O)O MCULE-8842647497 [0,0,0,0,1,0|2,0,1]=4 37 B13R0.613 CC(N)C(=O)NC(CC(=O)N)C(=O)O MCULE-9995535308 [0,0,0,0,1,0|0,0,0]=1 38 B13R0.613 C[C@H](N)C(=O)N[C@@H](CC(=O)O)C(=O)O MCULE-7158725000 [0,0,0,0,1,0|1,0,0]=2 39 B15R0.5154 CC(=O)CC(=O)NC(CCC(=O)N)C(=O)O MCULE-3533089125 [0,0,0,0,0,1|1,0,1]=3 40 B15R0.5154 CC(C)CC(=O)NC(CCC(=O)O)C(=O)O MCULE-1313024191 [0,0,0,0,0,1|2,0,0]=3 41 B15R0.5154 CC(C)CC(=O)NC(CCC(=O)O)C(=O)O MCULE-2794235152 [0,0,0,0,0,1|2,0,0]=3 42 B15R0.5154 CC(C)CC(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-5552528071 [0,0,0,0,0,1|2,0,0]=3 43 B15R0.5154 CC(C)CC(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-7844534282 [0,0,0,0,0,1|2,0,0]=3 44 B12R0.55 N/N=C/N[C@@H](CCC(=O)O)C(=O)O MCULE-2421282450 [2,0,0,0,0,0|2,0,0]=4 45 B12R0.129 CCC(=O)NC(CCSC)C(=O)O MCULE-3106840396 [2,0,0,0,0,0|2,0,0]=4 46 B12R0.129 CCCCC(NC(=O)CN)C(=O)O MCULE-1003008344 [2,0,0,0,0,0|1,0,1]=4 47 B12R0.129 CSCCC(NC(=O)CN)C(=O)O MCULE-4509739617 [2,0,0,0,0,0|2,0,0]=4 48 B12R0.129 CSCC[C@H](NC(=O)CN)C(=O)O MCULE-1237894856 [2,0,0,0,0,0|2,0,0]=4 49 B12R0.129 CSCC[C@H](NC(=O)CN)C(=O)O MCULE-9573195638 [2,0,0,0,0,0|2,0,0]=4 50 B12R0.129 [C@@H](CCCC)(NC(=O)CN)C(=O)O MCULE-9428552827 [2,0,0,0,0,0|1,0,1]=4 51 B12R0.400 CCCC(NC(=O)C(C)Br)C(=O)O MCULE-5347231839 [2,0,0,0,0,0|1,0,1]=4 52 B12R0.400 CCCC(NC(=O)C(C)N)C(=O)O MCULE-4668902120 [2,0,0,0,0,0|0,0,1]=3 53 B12R0.400 CCC[C@H](NC(=O)[C@H](C)N)C(=O)N MCULE-9935499740 [2,0,0,0,0,0|1,0,1]=4 54 B12R0.138 CC(=O)NC(CCC(=O)N)C(=O)O MCULE-1934887222 [2,0,0,0,0,0|0,0,0]=2 55 B12R0.138 CC(=O)NC(CCC(=O)O)C(=O)O MCULE-4246221126 [2,0,0,0,0,0|1,0,0]=3 56 B12R0.138 CC(=O)NC(CCC(=O)O)C(=O)[O-] MCULE-6926285845 [2,0,0,0,0,0|1,0,1]=4 57 B12R0.138 CC(=O)NC(CCS(=O)C)C(=O)O MCULE-2443247166 [2,0,0,0,0,0|2,0,0]=4 58 B12R0.138 CC(=O)NC(CSC(=O)C)C(=O)O MCULE-1484830678 [2,0,0,0,0,0|2,0,0]=4 59 B12R0.138 CC(=O)N[C@@H](CCC(=O)N)C(=O)N MCULE-5557467298 [2,0,0,0,0,0|1,0,0]=3 60 B12R0.138 CC(=O)N[C@@H](CCC(=O)N)C(=O)O MCULE-6381531194 [2,0,0,0,0,0|0,0,0]=2 61 B12R0.138 CC(=O)N[C@@H](CCC(=O)N)C(=O)O MCULE-7631228514 [2,0,0,0,0,0|0,0,0]=2 62 B12R0.138 CC(=O)N[C@@H](CCC(=O)O)C(=O)N MCULE-8357951336 [2,0,0,0,0,0|2,0,0]=4 63 B12R0.138 CC(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-2229199971 [2,0,0,0,0,0|1,0,0]=3 64 B12R0.138 CC(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-6828522418 [2,0,0,0,0,0|1,0,0]=3 65 B12R0.138 CC(=O)N[C@@H](CCS(=O)C)C(=O)O MCULE-3134653535 [2,0,0,0,0,0|2,0,0]=4 66 B12R0.138 CC(=O)N[C@@H](CCS(=O)C)C(=O)O MCULE-6666697387 [2,0,0,0,0,0|2,0,0]=4 67 B12R0.138 CC(=O)N[C@@H](CSC(=O)C)C(=O)O MCULE-3391917785 [2,0,0,0,0,0|2,0,0]=4 68 B12R0.138 CC(=O)N[C@@H](CSC(=O)C)C(=O)O MCULE-5905408007 [2,0,0,0,0,0|2,0,0]=4 69 B12R0.138 CC(=O)N[C@H](CCC(=O)O)C(=O)O MCULE-5623672193 [2,0,0,0,0,0|1,0,0]=3 70 B12R0.138 CC(=O)N[C@H](CCC(=O)O)C(=O)O MCULE-6007670614 [2,0,0,0,0,0|1,0,0]=3 71 B12R0.138 N=C(N)NC(CCC(=O)O)C(=O)O MCULE-3525474442 [2,0,0,0,0,0|2,0,0]=4 72 B12R0.138 N=C(N)N[C@@H](CCC(=O)O)C(=O)O MCULE-2134783627 [2,0,0,0,0,0|2,0,0]=4 73 B12R0.138 N=C(N)N[C@@H](CCC(=O)O)C(=O)O MCULE-2158448069 [2,0,0,0,0,0|2,0,0]=4 74 B12R0.138 NC(=O)CCC(NC(=O)N)C(=O)O MCULE-8108551403 [2,0,0,0,0,0|0,0,0]=2 75 B12R0.138 NC(=O)NC(CCC(=O)O)C(=O)O MCULE-3205173370 [2,0,0,0,0,0|1,0,0]=3 76 B12R0.138 NC(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-6817913906 [2,0,0,0,0,0|1,0,0]=3 77 B12R0.138 NC(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-8310604508 [2,0,0,0,0,0|1,0,0]=3 78 B12R0.138 [C@@H](CCC(=O)O)(NC(=O)C)C(=O)O MCULE-7234857249 [2,0,0,0,0,0|1,0,0]=3 79 B14R0.259 C[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)O MCULE-5317367912 [1,1,0,0,0,0|0,0,1]=3 80 B14R0.259 C[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)O MCULE-6436776397 [1,1,0,0,0,0|0,0,1]=3 81 B14R0.259 C[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)O MCULE-6689154415 [1,1,0,0,0,0|0,0,1]=3 82 B14R0.259 C[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)O MCULE-8600763721 [1,1,0,0,0,0|0,0,1]=3 83 B14R0.2466 CSCC[C@H](NC(=O)[C@@H](N)CO)C(=O)O MCULE-8743929855 [1,1,0,0,0,0|2,0,0]=4 84 B16R0.6865 CC(=O)CCC(NC(=O)OC(C)(C)C)C(=O)O MCULE-1633888057 [0,1,0,0,0,1|2,0,0]=4 85 B16R0.6865 CC(C)(C)OC(=O)NC(CCC(=O)N)C(=O)O MCULE-1862179925 [0,1,0,0,0,1|1,0,0]=3 86 B16R0.6865 CC(C)(C)OC(=O)NC(CCC(=O)N)C(=O)O MCULE-9335868339 [0,1,0,0,0,1|1,0,0]=3 87 B16R0.6865 CC(C)(C)OC(=O)NC(CCC(=O)O)C(=O)O MCULE-7075827600 [0,1,0,0,0,1|2,0,0]=4 88 B16R0.6865 CC(C)(C)OC(=O)NC(CCC(=O)O)C(=O)O MCULE-9531648877 [0,1,0,0,0,1|2,0,0]=4 89 B16R0.6865 CC(C)(C)OC(=O)N[C@@H](CCC(=O)N)C(=O)O MCULE-6032069870 [0,1,0,0,0,1|1,0,0]=3 90 B16R0.6865 CC(C)(C)OC(=O)N[C@@H](CCC(=O)N)C(=O)O MCULE-9927005840 [0,1,0,0,0,1|1,0,0]=3 91 B16R0.6865 CC(C)(C)OC(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-4059216684 [0,1,0,0,0,1|2,0,0]=4 92 B16R0.6865 CC(C)(C)OC(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-4562570474 [0,1,0,0,0,1|2,0,0]=4 93 B16R0.6865 CC(C)(C)OC(=O)N[C@@H](CNC(=O)N)C(=O)O MCULE-8029250246 [0,1,0,0,0,1|2,0,0]=4 94 B16R0.6865 CC(C)(C)OC(=O)N[C@@H](CNC(=O)N)C(=O)O MCULE-9461456580 [0,1,0,0,0,1|2,0,0]=4 95 B16R0.6865 CC(C)(C)OC(=O)N[C@@H](CSC(=O)N)C(=O)O MCULE-1747002939 [0,1,0,0,0,1|2,0,0]=4 96 B16R0.6865 CC(C)(C)OC(=O)N[C@H](CCC(=O)N)C(=O)O MCULE-5718101075 [0,1,0,0,0,1|1,0,0]=3 97 B16R0.6865 CC(C)(C)OC(=O)N[C@H](CCC(=O)N)C(=O)O MCULE-8112072710 [0,1,0,0,0,1|1,0,0]=3 98 B16R0.6865 CC(C)(C)OC(=O)N[C@H](CCC(=O)O)C(=O)O MCULE-1162510621 [0,1,0,0,0,1|2,0,0]=4 99 B16R0.6865 CC(C)(C)OC(=O)N[C@H](CCC(=O)O)C(=O)O MCULE-7622478658 [0,1,0,0,0,1|2,0,0]=4 100 B16R0.6865 CC(C)(C)OC(=O)N[C@H](CNC(=O)N)C(=O)O MCULE-9728903813 [0,1,0,0,0,1|2,0,0]=4 101 B14R1.6036 C[C@@H]1NC(=O)[C@@H](NC1=O)CCC(=O)O MCULE-1593404321 [1,0,0,1,0,0|2,0,0]=4 102 B14R1.6036 C[C@@H]1NC(=O)[C@@H](NC1=O)CCC(=O)O MCULE-3263103016 [1,0,0,1,0,0|2,0,0]=4 103 B14R1.16457 NC(=O)CC[C@H](NC1(CC1)O)C(=O)O MCULE-2669703032 [1,0,0,1,0,0|0,0,2]=4 104 B12R0.151 NC(=O)CC(NC(=O)C[NH3+])C(=O)[O-] MCULE-8282734679 [1,0,0,0,1,0|0,0,2]=4 105 B12R0.151 NCC(=O)NC(CC(=O)O)C(=O)O MCULE-1425948003 [1,0,0,0,1,0|1,0,0]=3 106 B12R0.151 NCC(=O)N[C@@H](CC(=O)N)C(=O)O MCULE-4287075958 [1,0,0,0,1,0|0,0,0]=2 107 B12R0.151 NCC(=O)N[C@@H](CC(=O)N)C(=O)O MCULE-9105280006 [1,0,0,0,1,0|0,0,0]=2 108 B12R0.151 NCC(=O)N[C@@H](CC(=O)O)C(=O)O MCULE-4535987354 [1,0,0,0,1,0|1,0,0]=3 109 B12R0.151 NCC(=O)N[C@@H](CC(=O)O)C(=O)O MCULE-6987619517 [1,0,0,0,1,0|1,0,0]=3 110 B12R0.151 NCC(=O)N[C@H](CC(=O)N)C(=O)O MCULE-2556251281 [1,0,0,0,1,0|0,0,0]=2 111 B12R0.151 NCC(=O)N[C@H](CC(=O)N)C(=O)O MCULE-7730971504 [1,0,0,0,1,0|0,0,0]=2 112 B12R0.151 O=C(O)CC(NC(=O)CCl)C(=O)O MCULE-3415784989 [1,0,0,0,1,0|2,0,0]=4 113 B14R0.505 CC(=O)CC(=O)NC(CC(=O)N)C(=O)O MCULE-5670325086 [0,0,0,0,1,1|1,0,1]=4 114 B16R0.2270 C[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O MCULE-3065601775 [0,0,0,0,0,2|1,0,0]=3