0 B11R0.29 CC(=N)NCCC[C@H](N)C(=O)O MCULE-5358658112 [1,0,0,0,0,0|1,0,0]=2 1 B11R0.29 CC(=N)NCCC[C@H](N)C(=O)O MCULE-5606810596 [1,0,0,0,0,0|1,0,0]=2 2 B11R0.29 CC(=N)NCCC[C@H](N)C(=O)O MCULE-7980342928 [1,0,0,0,0,0|1,0,0]=2 3 B11R0.29 CC(=N)NCCC[C@H](N)C(=O)O MCULE-8195408633 [1,0,0,0,0,0|1,0,0]=2 4 B11R0.29 CC(=N)NCCC[C@H](N)C(=O)O MCULE-8216004356 [1,0,0,0,0,0|1,0,0]=2 5 B11R0.29 CC(=O)NCCCC(N)C(=O)O MCULE-5671867593 [1,0,0,0,0,0|2,0,0]=3 6 B11R0.29 CC(=O)NCCC[C@H](N)C(=O)O MCULE-1987849167 [1,0,0,0,0,0|2,0,0]=3 7 B11R0.29 CC(=O)NCCC[C@H](N)C(=O)O MCULE-5655137268 [1,0,0,0,0,0|2,0,0]=3 8 B11R0.29 CC(=O)NCSCC(N)C(=O)O MCULE-1709640374 [1,0,0,0,0,0|3,0,0]=4 9 B11R0.29 CC(=O)NCSCC(N)C(=O)O MCULE-3550759506 [1,0,0,0,0,0|3,0,0]=4 10 B11R0.29 CC(=O)NCSC[C@@H](N)C(=O)O MCULE-6373295824 [1,0,0,0,0,0|3,0,0]=4 11 B11R0.29 CC(=O)NCSC[C@@H](N)C(=O)O MCULE-7013130042 [1,0,0,0,0,0|3,0,0]=4 12 B11R0.29 CC(=O)NCSC[C@@H](N)C(=O)O MCULE-7188611038 [1,0,0,0,0,0|3,0,0]=4 13 B11R0.29 CC(=O)NCSC[C@@H](N)C(=O)O MCULE-8606728410 [1,0,0,0,0,0|3,0,0]=4 14 B11R0.29 CC(=O)NCSC[C@H](N)C(=O)O MCULE-2695923449 [1,0,0,0,0,0|3,0,0]=4 15 B11R0.29 N=C(N)NCCCC(N)C(=O)O MCULE-3125760737 [1,0,0,0,0,0|0,0,0]=1 16 B11R0.29 N=C(N)NCCCC(N)C(=O)O MCULE-5122302808 [1,0,0,0,0,0|0,0,0]=1 17 B11R0.29 N=C(N)NCCCC(N)C(=O)O MCULE-6153263942 [1,0,0,0,0,0|0,0,0]=1 18 B11R0.29 N=C(N)NCCCC(N)C(=O)O MCULE-9072241723 [1,0,0,0,0,0|0,0,0]=1 19 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)N MCULE-2053250402 [1,0,0,0,0,0|1,0,0]=2 20 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)N MCULE-4188771186 [1,0,0,0,0,0|1,0,0]=2 21 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)N MCULE-8070047581 [1,0,0,0,0,0|1,0,0]=2 22 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)N MCULE-8751936684 [1,0,0,0,0,0|1,0,0]=2 23 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)O MCULE-1262352579 [1,0,0,0,0,0|0,0,0]=1 24 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)O MCULE-3838347198 [1,0,0,0,0,0|0,0,0]=1 25 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)O MCULE-8676148534 [1,0,0,0,0,0|0,0,0]=1 26 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)O MCULE-9872369459 [1,0,0,0,0,0|0,0,0]=1 27 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)N MCULE-2060853069 [1,0,0,0,0,0|1,0,0]=2 28 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)N MCULE-3460042117 [1,0,0,0,0,0|1,0,0]=2 29 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)N MCULE-5810103294 [1,0,0,0,0,0|1,0,0]=2 30 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)N MCULE-7789670505 [1,0,0,0,0,0|1,0,0]=2 31 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O MCULE-1290049418 [1,0,0,0,0,0|0,0,0]=1 32 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O MCULE-4214642097 [1,0,0,0,0,0|0,0,0]=1 33 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O MCULE-5108123240 [1,0,0,0,0,0|0,0,0]=1 34 B11R0.29 N=C(N)NCCC[C@H](O)C(=O)O MCULE-5530430751 [1,0,0,0,0,0|1,0,0]=2 35 B11R0.29 N=C(N)NOCCC(=O)C(=O)O MCULE-3913893109 [1,0,0,0,0,0|2,0,1]=4 36 B11R0.29 N=C(N)NOCCC(N)C(=O)O MCULE-4434498846 [1,0,0,0,0,0|1,0,0]=2 37 B11R0.29 N=C(N)NOCCC(N)C(=O)O MCULE-8379182275 [1,0,0,0,0,0|1,0,0]=2 38 B11R0.29 N=C(N)NOCC[C@H](N)C(=O)O MCULE-4133667223 [1,0,0,0,0,0|1,0,0]=2 39 B11R0.29 N=C(N)NOCC[C@H](N)C(=O)O MCULE-5293692556 [1,0,0,0,0,0|1,0,0]=2 40 B11R0.29 N=C(N)NOCC[C@H](N)C(=O)O MCULE-5682580831 [1,0,0,0,0,0|1,0,0]=2 41 B11R0.29 N=C(N)NOCC[C@H](N)C(=O)O MCULE-8698650428 [1,0,0,0,0,0|1,0,0]=2 42 B11R0.29 N=C(N)SCCC[C@H](N)C(=O)O MCULE-4923497703 [1,0,0,0,0,0|1,0,0]=2 43 B11R0.29 N=C(N)SCCC[C@H](N)C(=O)O MCULE-6690848404 [1,0,0,0,0,0|1,0,0]=2 44 B11R0.29 N=C(N)SCCC[C@H](N)C(=O)O MCULE-8512874772 [1,0,0,0,0,0|1,0,0]=2 45 B11R0.29 NC(=NCCC[C@H](N)C(=O)O)N MCULE-6159466147 [1,0,0,0,0,0|0,0,2]=3 46 B11R0.29 NC(=O)C(N)CCCN=C(N)N MCULE-5320558657 [1,0,0,0,0,0|1,0,2]=4 47 B11R0.29 NC(=O)C(N)CCCN=C(N)N MCULE-9567284529 [1,0,0,0,0,0|1,0,2]=4 48 B11R0.29 NC(=O)NCCCC(N)C(=O)O MCULE-3107139098 [1,0,0,0,0,0|1,0,0]=2 49 B11R0.29 NC(=O)NCCCC(N)C(=O)O MCULE-9077514633 [1,0,0,0,0,0|1,0,0]=2 50 B11R0.29 NC(=O)NCCCC(N)C(=O)O MCULE-9892421890 [1,0,0,0,0,0|1,0,0]=2 51 B11R0.29 NC(=O)NCCCC(N)C(=O)S MCULE-6427757419 [1,0,0,0,0,0|1,1,0]=3 52 B11R0.29 NC(=O)NCCC[C@@H](N)C(=O)O MCULE-7003128917 [1,0,0,0,0,0|1,0,0]=2 53 B11R0.29 NC(=O)NCCC[C@@H](N)C(=O)O MCULE-9135693560 [1,0,0,0,0,0|1,0,0]=2 54 B11R0.29 NC(=O)NCCC[C@H](N)C(=O)O MCULE-2081339988 [1,0,0,0,0,0|1,0,0]=2 55 B11R0.29 NC(=O)NCCC[C@H](N)C(=O)O MCULE-5380647071 [1,0,0,0,0,0|1,0,0]=2 56 B11R0.29 NC(=O)NCCC[C@H](N)C(=O)O MCULE-5746772887 [1,0,0,0,0,0|1,0,0]=2 57 B11R0.29 NC(=S)NCCC[C@H](N)C(=O)O MCULE-9458174752 [1,0,0,0,0,0|1,0,0]=2 58 B11R0.29 NC(CCCCC(=O)O)C(=O)O MCULE-2486712857 [1,0,0,0,0,0|3,0,0]=4 59 B11R0.29 N[C@@H](CCCCC(=O)O)C(=O)O MCULE-3457014875 [1,0,0,0,0,0|3,0,0]=4 60 B11R0.29 N[C@@H](CCCCC(=O)O)C(=O)O MCULE-4557682979 [1,0,0,0,0,0|3,0,0]=4 61 B11R0.29 N[C@H](CCCCC(=O)O)C(=O)O MCULE-7148013181 [1,0,0,0,0,0|3,0,0]=4 62 B11R0.29 N[C@H](CCCCC(=O)O)C(=O)O MCULE-8965199592 [1,0,0,0,0,0|3,0,0]=4 63 B11R0.29 [C@H](N)(CCCNC(=N)N)C(=O)O MCULE-3794564775 [1,0,0,0,0,0|0,0,0]=1 64 B11R0.29 [C@H](N)(CSCNC(=O)C)C(=O)O MCULE-5543687296 [1,0,0,0,0,0|3,0,0]=4 65 B11R0.29 [C@H](N)(CSCNC(=O)C)C(=O)O MCULE-9668621656 [1,0,0,0,0,0|3,0,0]=4 66 B13R1.126 NC(=O)C1CC(CC(N1)C(=O)N)O MCULE-2750240901 [0,0,0,1,0,0|3,0,0]=4 67 B10R0.55 NC(=O)NCCC[C@H](N)CO MCULE-3843882509 [2,0,0,0,0,0|1,0,1]=4 68 B10R0.55 NC(=O)NCCC[C@H](N)CO MCULE-6658263929 [2,0,0,0,0,0|1,0,1]=4 69 B10R0.75 C=CCCCCC(N)C(=O)O MCULE-9003674294 [2,0,0,0,0,0|2,0,0]=4 70 B10R0.75 C=CCCCC[C@@H](N)C(=O)O MCULE-5424595854 [2,0,0,0,0,0|2,0,0]=4 71 B10R0.75 C=CCCCC[C@@H](N)C(=O)O MCULE-7894205841 [2,0,0,0,0,0|2,0,0]=4 72 B10R0.75 C=CCCCC[C@H](N)C(=O)O MCULE-6386840550 [2,0,0,0,0,0|2,0,0]=4 73 B10R0.75 C=CCCCC[C@H](N)C(=O)O MCULE-8206632491 [2,0,0,0,0,0|2,0,0]=4 74 B10R0.75 NCCCCC[C@@H](N)C(=O)O MCULE-7846811170 [2,0,0,0,0,0|1,0,1]=4 75 B10R0.75 NCCCCC[C@@H](N)C(=O)O MCULE-8562914837 [2,0,0,0,0,0|1,0,1]=4 76 B10R0.75 NCCCCC[C@H](N)C(=O)O MCULE-4522889843 [2,0,0,0,0,0|1,0,1]=4 77 B10R0.75 NCCCCC[C@H](N)C(=O)O MCULE-9026496023 [2,0,0,0,0,0|1,0,1]=4 78 B10R0.97 CC(=O)NCCCCC(=O)O MCULE-6323800073 [2,0,0,0,0,0|2,0,0]=4 79 B10R0.97 N=C(N)NCCCCC(=O)O MCULE-2807872503 [2,0,0,0,0,0|0,0,0]=2 80 B10R0.97 N=C(N)SCCCCC(=O)O MCULE-6602460811 [2,0,0,0,0,0|1,0,0]=3 81 B10R0.97 NC(=O)NCCCCC(=O)O MCULE-1121500109 [2,0,0,0,0,0|1,0,0]=3 82 B10R0.97 NC(=[NH2+])SCCCCC(=O)O MCULE-4252972328 [2,0,0,0,0,0|1,0,1]=4 83 B12R0.86 COC(=O)C(N)CCCNC(=N)N MCULE-5000268586 [1,1,0,0,0,0|0,0,0]=2 84 B12R0.86 COC(=O)C(N)CCCNC(=O)N MCULE-3252838346 [1,1,0,0,0,0|1,0,0]=3 85 B12R0.86 COC(=O)C([NH3+])CCCNC(=N)[NH3+] MCULE-9392759361 [1,1,0,0,0,0|0,0,2]=4 86 B12R0.86 COC(=O)[C@@H](N)CCCNC(=N)N MCULE-2986619830 [1,1,0,0,0,0|0,0,0]=2 87 B12R0.86 COC(=O)[C@@H](N)CCCNC(=N)N MCULE-6061371144 [1,1,0,0,0,0|0,0,0]=2 88 B12R0.86 COC(=O)[C@@H](N)CCCNC(=N)N MCULE-7173257489 [1,1,0,0,0,0|0,0,0]=2 89 B12R0.86 COC(=O)[C@@H](N)CCCNC(=N)N MCULE-7536983454 [1,1,0,0,0,0|0,0,0]=2 90 B12R0.86 COC(=O)[C@@H](N)CCCNC(=N)N MCULE-7555090022 [1,1,0,0,0,0|0,0,0]=2 91 B12R0.86 COC(=O)[C@@H](N)CCCNC(=O)N MCULE-5249311648 [1,1,0,0,0,0|1,0,0]=3 92 B12R0.86 COC(=O)[C@@H](N)CCCNC(=O)N MCULE-6644204781 [1,1,0,0,0,0|1,0,0]=3 93 B12R0.86 COC(=O)[C@@H](N)CCONC(=N)N MCULE-1024230738 [1,1,0,0,0,0|1,0,0]=3 94 B12R0.86 COC(=O)[C@@H](N)CCONC(=N)N MCULE-8644239659 [1,1,0,0,0,0|1,0,0]=3 95 B12R0.86 COC(=O)[C@H](N)CCCNC(=N)N MCULE-4290297534 [1,1,0,0,0,0|0,0,0]=2 96 B12R0.86 COC(=O)[C@H](N)CCCNC(=N)N MCULE-4345388880 [1,1,0,0,0,0|0,0,0]=2 97 B12R0.86 COC(=O)[C@H](N)CCCNC(=N)N MCULE-5054794948 [1,1,0,0,0,0|0,0,0]=2 98 B12R0.86 COC(=O)[C@H](N)CCCNC(=N)N MCULE-8949099168 [1,1,0,0,0,0|0,0,0]=2 99 B12R0.86 CSC(=O)C(N)CCCNC(=N)N MCULE-4264441244 [1,1,0,0,0,0|0,1,0]=3 100 B12R0.86 CSC(=O)C(N)CCCNC(=N)N MCULE-4986536109 [1,1,0,0,0,0|0,1,0]=3 101 B12R0.86 CSC(=O)[C@@H](N)CCCNC(=O)N MCULE-3142055425 [1,1,0,0,0,0|1,1,0]=4 102 B12R0.86 CSC(=O)[C@@H](N)CCCNC(=O)N MCULE-6193058345 [1,1,0,0,0,0|1,1,0]=4 103 B12R0.86 CSC(=O)[C@@H](N)CCCNC(=O)N MCULE-6954166742 [1,1,0,0,0,0|1,1,0]=4 104 B12R0.86 CSC(=O)[C@@H](N)CCCNC(=O)N MCULE-7859691382 [1,1,0,0,0,0|1,1,0]=4 105 B12R0.186 C/N=C(\N)/NCCC[C@@H](N)C(=O)O MCULE-1121225078 [1,1,0,0,0,0|0,0,0]=2 106 B12R0.186 C/N=C(\N)/NCCC[C@@H](N)C(=O)O MCULE-2907641468 [1,1,0,0,0,0|0,0,0]=2 107 B12R0.186 C/N=C(\N)/NCCC[C@H](N)C(=O)O MCULE-2729068755 [1,1,0,0,0,0|0,0,0]=2 108 B12R0.186 C/N=C(\N)/NCCC[C@H](N)C(=O)O MCULE-7531846873 [1,1,0,0,0,0|0,0,0]=2 109 B12R0.186 CCC(=N)NCCC[C@H](N)C(=O)O MCULE-5572284521 [1,1,0,0,0,0|1,0,0]=3 110 B12R0.186 CCC(=N)NCCC[C@H](N)C(=O)O MCULE-9860243160 [1,1,0,0,0,0|1,0,0]=3 111 B12R0.186 CNC(=N)NCCCC(N)C(=O)O MCULE-3120898540 [1,1,0,0,0,0|0,0,0]=2 112 B12R0.186 CNC(=N)NCCCC(N)C(=O)O MCULE-3301375059 [1,1,0,0,0,0|0,0,0]=2 113 B12R0.186 CNC(=N)NCCC[C@H](N)C(=O)O MCULE-1797380040 [1,1,0,0,0,0|0,0,0]=2 114 B12R0.186 CNC(=N)NCCC[C@H](N)C(=O)O MCULE-2048487137 [1,1,0,0,0,0|0,0,0]=2 115 B12R0.186 CNC(=N)NCCC[C@H](N)C(=O)O MCULE-4043013639 [1,1,0,0,0,0|0,0,0]=2 116 B12R0.186 CNC(=N)NCCC[C@H](N)C(=O)O MCULE-7261766442 [1,1,0,0,0,0|0,0,0]=2 117 B12R0.186 CS/C(=N\CCC[C@H](N)C(=O)O)/N MCULE-7775622185 [1,1,0,0,0,0|1,0,1]=4 118 B12R0.186 CSC(=N)NCCC[C@H](N)C(=O)O MCULE-5223449899 [1,1,0,0,0,0|1,0,0]=3 119 B12R0.186 CSC(=N)NCCC[C@H](N)C(=O)O MCULE-7858319216 [1,1,0,0,0,0|1,0,0]=3 120 B12R0.186 N=C(NN)NCCC[C@H](N)C(=O)O MCULE-2418194249 [1,1,0,0,0,0|0,0,0]=2 121 B12R0.186 N=C(NN)NCCC[C@H](N)C(=O)O MCULE-6985568991 [1,1,0,0,0,0|0,0,0]=2 122 B12R0.186 N=C(NO)NCCC[C@H](N)C(=O)O MCULE-1051612567 [1,1,0,0,0,0|0,0,0]=2 123 B12R0.186 N=C(NO)NCCC[C@H](N)C(=O)O MCULE-1231852000 [1,1,0,0,0,0|0,0,0]=2 124 B12R0.238 CN[C@@H](CCCNC(=N)N)C(=O)O MCULE-1167157550 [1,1,0,0,0,0|0,0,0]=2 125 B12R0.238 CN[C@@H](CCCNC(=N)N)C(=O)O MCULE-2963335078 [1,1,0,0,0,0|0,0,0]=2 126 B12R0.238 CN[C@@H](CCCNC(=N)N)C(=O)O MCULE-5560203385 [1,1,0,0,0,0|0,0,0]=2 127 B12R0.238 CN[C@@H](CCCNC(=N)N)C(=O)O MCULE-8602495389 [1,1,0,0,0,0|0,0,0]=2 128 B12R1.104 NC1=NC(=CN1)C[C@H](N)C(=O)O MCULE-6106532520 [1,0,0,1,0,0|0,0,2]=4 129 B12R1.258 N=C(N)N1CCCC(C1)C(=O)O MCULE-9318604892 [1,0,0,1,0,0|1,0,0]=3 130 B12R1.258 NC(=O)N1CCCC(C1)C(=O)O MCULE-6020689201 [1,0,0,1,0,0|2,0,0]=4 131 B12R1.258 NC(=O)N1CCCC(C1)C(=O)O MCULE-6379077809 [1,0,0,1,0,0|2,0,0]=4 132 B12R1.850 CC(=O)N1CC(CC1C(=O)O)O MCULE-9681082607 [1,0,0,1,0,0|2,0,0]=4 133 B12R1.850 CC(=O)N1CC(C[C@H]1C(=O)O)O MCULE-5097508255 [1,0,0,1,0,0|2,0,0]=4 134 B12R1.850 CC(=O)N1C[C@@H](C[C@H]1C(=O)O)O MCULE-2576782102 [1,0,0,1,0,0|2,0,0]=4 135 B12R1.850 CC(=O)N1C[C@@H](C[C@H]1C(=O)O)O MCULE-5490909004 [1,0,0,1,0,0|2,0,0]=4 136 B12R1.850 NC(=O)N1CC(CC1C(=O)O)O MCULE-4811638403 [1,0,0,1,0,0|1,0,0]=3 137 B10R0.98 CC(=O)NCC[C@H](N)C(=O)O MCULE-5384056558 [1,0,0,0,1,0|2,0,0]=4 138 B10R0.98 CC(=O)NCC[C@H](N)C(=O)O MCULE-9151560319 [1,0,0,0,1,0|2,0,0]=4 139 B10R0.98 N=C(N)NCCC(N)C(=O)O MCULE-2234773343 [1,0,0,0,1,0|0,0,0]=2 140 B10R0.98 N=C(N)NCCC(N)C(=O)O MCULE-9635728361 [1,0,0,0,1,0|0,0,0]=2 141 B10R0.98 N=C(N)NCC[C@H](N)C(=O)O MCULE-5360635274 [1,0,0,0,1,0|0,0,0]=2 142 B10R0.98 N=C(N)NCC[C@H](N)C(=O)O MCULE-7633853490 [1,0,0,0,1,0|0,0,0]=2 143 B10R0.98 NC(CCCC(=O)O)C(=O)O MCULE-3021567253 [1,0,0,0,1,0|2,0,0]=4 144 B10R0.98 NC(CCCC(=O)O)C(=O)O MCULE-7434229402 [1,0,0,0,1,0|2,0,0]=4 145 B10R0.98 NC(CCCC(=O)O)C(=O)O MCULE-8474963048 [1,0,0,0,1,0|2,0,0]=4 146 B10R0.98 N[C@@H](CCCC(=O)O)C(=O)O MCULE-1991686030 [1,0,0,0,1,0|2,0,0]=4 147 B10R0.98 N[C@@H](CCCC(=O)O)C(=O)O MCULE-6053925503 [1,0,0,0,1,0|2,0,0]=4 148 B10R0.98 N[C@H](CCCC(=O)O)C(=O)O MCULE-3179500404 [1,0,0,0,1,0|2,0,0]=4 149 B10R0.98 N[C@H](CCCC(=O)O)C(=O)O MCULE-9722366772 [1,0,0,0,1,0|2,0,0]=4 150 B10R0.13 N[C@@H](C(=O)O)[C@H](O)CC(=O)O MCULE-6540374220 [0,0,0,0,2,0|2,0,0]=4 151 B10R0.93 NC(=O)[C@H](F)C[C@H](N)C(=O)O MCULE-6469307664 [0,0,0,0,2,0|2,0,0]=4 152 B10R0.93 NC(=O)[C@H](F)C[C@H](N)C(=O)O MCULE-6602424535 [0,0,0,0,2,0|2,0,0]=4 153 B10R0.93 NC(CC(O)C(=O)O)C(=O)O MCULE-2122152001 [0,0,0,0,2,0|2,0,0]=4 154 B10R0.93 N[C@@H](C[C@@H](O)C(=O)O)C(=O)O MCULE-2660596864 [0,0,0,0,2,0|2,0,0]=4 155 B10R0.93 N[C@@H](C[C@@H](O)C(=O)O)C(=O)O MCULE-6180379673 [0,0,0,0,2,0|2,0,0]=4 156 B10R0.93 N[C@@H](C[C@H](O)C(=O)O)C(=O)O MCULE-2217204949 [0,0,0,0,2,0|2,0,0]=4 157 B10R0.93 N[C@@H](C[C@H](O)C(=O)O)C(=O)O MCULE-8271752005 [0,0,0,0,2,0|2,0,0]=4 158 B10R0.93 N[C@H](C[C@H](O)C(=O)O)C(=O)O MCULE-8040485498 [0,0,0,0,2,0|2,0,0]=4 159 B12R0.42 C/C(=N/CCCC[C@H](N)C(=O)O)/N MCULE-7878147954 [1,0,0,0,0,1|1,0,1]=4 160 B12R0.42 CC(=N)NCCCCC(N)C(=O)O MCULE-2748186789 [1,0,0,0,0,1|1,0,0]=3 161 B12R0.42 CC(=N)NCCCCC(N)C(=O)O MCULE-6164256302 [1,0,0,0,0,1|1,0,0]=3 162 B12R0.42 CC(=N)NCCCC[C@H](N)C(=O)O MCULE-2218386265 [1,0,0,0,0,1|1,0,0]=3 163 B12R0.42 CC(=N)NCCCC[C@H](N)C(=O)O MCULE-5581195825 [1,0,0,0,0,1|1,0,0]=3 164 B12R0.42 CC(=N)NCCCC[C@H](N)C(=O)O MCULE-8004298113 [1,0,0,0,0,1|1,0,0]=3 165 B12R0.42 CC(=O)NCCCCC(N)C(=O)O MCULE-4363164306 [1,0,0,0,0,1|2,0,0]=4 166 B12R0.42 CC(=O)NCCCCC(N)C(=O)O MCULE-7418953050 [1,0,0,0,0,1|2,0,0]=4 167 B12R0.42 CC(=O)NCCCC[C@@H](N)C(=O)O MCULE-2826730309 [1,0,0,0,0,1|2,0,0]=4 168 B12R0.42 CC(=O)NCCCC[C@H](N)C(=O)O MCULE-2500699001 [1,0,0,0,0,1|2,0,0]=4 169 B12R0.42 CC(=O)NCCCC[C@H](N)C(=O)O MCULE-2747158053 [1,0,0,0,0,1|2,0,0]=4 170 B12R0.42 CC(=O)NCCCC[C@H](N)C(=O)O MCULE-8086021811 [1,0,0,0,0,1|2,0,0]=4 171 B12R0.42 CC(=O)NCCCC[C@H](N)C(=O)O MCULE-9503615061 [1,0,0,0,0,1|2,0,0]=4 172 B12R0.42 N=C(N)NCCCCC(N)C(=O)O MCULE-1114934644 [1,0,0,0,0,1|0,0,0]=2 173 B12R0.42 N=C(N)NCCCCC(N)C(=O)O MCULE-4078920174 [1,0,0,0,0,1|0,0,0]=2 174 B12R0.42 N=C(N)NCCCC[C@@H](N)C(=O)O MCULE-1049518743 [1,0,0,0,0,1|0,0,0]=2 175 B12R0.42 N=C(N)NCCCC[C@@H](N)C(=O)O MCULE-4108646118 [1,0,0,0,0,1|0,0,0]=2 176 B12R0.42 N=C(N)NCCCC[C@@H](N)C(=O)O MCULE-4835018951 [1,0,0,0,0,1|0,0,0]=2 177 B12R0.42 N=C(N)NCCCC[C@@H](N)C(=O)O MCULE-5471188514 [1,0,0,0,0,1|0,0,0]=2 178 B12R0.42 N=C(N)NCCCC[C@H](N)C(=O)O MCULE-1726271138 [1,0,0,0,0,1|0,0,0]=2 179 B12R0.42 N=C(N)NCCCC[C@H](N)C(=O)O MCULE-2352708400 [1,0,0,0,0,1|0,0,0]=2 180 B12R0.42 N=C(N)NCCCC[C@H](N)C(=O)O MCULE-6794898094 [1,0,0,0,0,1|0,0,0]=2 181 B12R0.42 N=C(N)NCCCC[C@H](N)C(=O)O MCULE-7371205614 [1,0,0,0,0,1|0,0,0]=2 182 B12R0.42 NC(=O)NCCCCC(N)C(=O)O MCULE-5422005056 [1,0,0,0,0,1|1,0,0]=3 183 B12R0.42 NC(=O)NCCCCC(N)C(=O)O MCULE-6598703304 [1,0,0,0,0,1|1,0,0]=3 184 B12R0.42 NC(=O)NCCCC[C@@H](N)C(=O)O MCULE-6382139330 [1,0,0,0,0,1|1,0,0]=3 185 B12R0.42 NC(=O)NCCCC[C@@H](N)C(=O)O MCULE-7025106309 [1,0,0,0,0,1|1,0,0]=3 186 B12R0.42 NC(=O)NCCCC[C@H](N)C(=O)O MCULE-7636320216 [1,0,0,0,0,1|1,0,0]=3 187 B12R0.42 NC(=O)NCCCC[C@H](N)C(=O)O MCULE-7719006708 [1,0,0,0,0,1|1,0,0]=3 188 B12R0.42 [C@@H](N)(CCCCNC(=O)C)C(=O)O MCULE-9387648281 [1,0,0,0,0,1|2,0,0]=4 189 B12R0.270 CC(=O)NCCC[C@@H](N)CC(=O)O MCULE-4886618146 [1,0,0,0,0,1|2,0,0]=4 190 B12R0.270 N=C(N)NCCC[C@@H](N)CC(=O)O MCULE-3804537269 [1,0,0,0,0,1|0,0,0]=2 191 B9R0.47 C(N)(CCCCN)C(=O)O MCULE-7060791798 [3,0,0,0,0,0|0,0,1]=4 192 B9R0.47 C=CCCCC(N)C(=O)O MCULE-3707920281 [3,0,0,0,0,0|1,0,0]=4 193 B9R0.47 C=CCCCC(N)C(=O)O MCULE-5939027667 [3,0,0,0,0,0|1,0,0]=4 194 B9R0.47 C=CCCCC(N)C(=O)O MCULE-6095387409 [3,0,0,0,0,0|1,0,0]=4 195 B9R0.47 C=CCCC[C@@H](N)C(=O)O MCULE-2101628204 [3,0,0,0,0,0|1,0,0]=4 196 B9R0.47 C=CCCC[C@@H](N)C(=O)O MCULE-7328150693 [3,0,0,0,0,0|1,0,0]=4 197 B9R0.47 C=CCCC[C@H](N)C(=O)O MCULE-1162071877 [3,0,0,0,0,0|1,0,0]=4 198 B9R0.47 C=CCCC[C@H](N)C(=O)O MCULE-7245809917 [3,0,0,0,0,0|1,0,0]=4 199 B9R0.47 NCCCCC(N)C(=O)O MCULE-1411873021 [3,0,0,0,0,0|0,0,1]=4 200 B9R0.47 NCCCCC(N)C(=O)O MCULE-1436032977 [3,0,0,0,0,0|0,0,1]=4 201 B9R0.47 NCCCCC(N)C(=O)O MCULE-5737537430 [3,0,0,0,0,0|0,0,1]=4 202 B9R0.47 NCCCCC(N)C(=O)O MCULE-6537319758 [3,0,0,0,0,0|0,0,1]=4 203 B9R0.47 NCCCCC(N)C(=O)O MCULE-9665753367 [3,0,0,0,0,0|0,0,1]=4 204 B9R0.47 NCCCC[C@@H](N)C(=O)O MCULE-2051883110 [3,0,0,0,0,0|0,0,1]=4 205 B9R0.47 NCCCC[C@@H](N)C(=O)O MCULE-2174845427 [3,0,0,0,0,0|0,0,1]=4 206 B9R0.47 NCCCC[C@@H](N)C(=O)O MCULE-7229907816 [3,0,0,0,0,0|0,0,1]=4 207 B9R0.47 NCCCC[C@@H](N)C(=O)O MCULE-7646209988 [3,0,0,0,0,0|0,0,1]=4 208 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-1814780282 [3,0,0,0,0,0|0,0,1]=4 209 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-2585671029 [3,0,0,0,0,0|0,0,1]=4 210 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-2735109468 [3,0,0,0,0,0|0,0,1]=4 211 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-3226089160 [3,0,0,0,0,0|0,0,1]=4 212 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-4736099943 [3,0,0,0,0,0|0,0,1]=4 213 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-5602916309 [3,0,0,0,0,0|0,0,1]=4 214 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-5669080418 [3,0,0,0,0,0|0,0,1]=4 215 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-5771120494 [3,0,0,0,0,0|0,0,1]=4 216 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-6467055628 [3,0,0,0,0,0|0,0,1]=4 217 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-7268734331 [3,0,0,0,0,0|0,0,1]=4 218 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-7702716758 [3,0,0,0,0,0|0,0,1]=4 219 B9R0.47 N[C@@H](CCCNO)C(=O)O MCULE-2690192301 [3,0,0,0,0,0|1,0,0]=4 220 B9R0.47 N[C@@H](CCCNO)C(=O)O MCULE-8331389811 [3,0,0,0,0,0|1,0,0]=4 221 B9R0.47 N[C@@H](CCCNO)C(=O)O MCULE-9071251692 [3,0,0,0,0,0|1,0,0]=4 222 B9R0.47 N[C@@H](CCCNO)C(=O)O MCULE-9613387165 [3,0,0,0,0,0|1,0,0]=4 223 B9R0.47 [C@@H](N)(CCCCN)C(=O)O MCULE-2676284364 [3,0,0,0,0,0|0,0,1]=4 224 B9R0.47 [C@@H](N)(CCCCN)C(=O)O MCULE-3536027321 [3,0,0,0,0,0|0,0,1]=4 225 B11R0.42 N/N=C/NCCCC(N)C(=O)N MCULE-5390375108 [2,1,0,0,0,0|1,0,0]=4 226 B11R0.42 N/N=C/NCCC[C@@H](N)C(=O)N MCULE-1451777480 [2,1,0,0,0,0|1,0,0]=4 227 B11R0.42 NC(CCCCNC=O)C(=O)O MCULE-1951015462 [2,1,0,0,0,0|1,0,0]=4 228 B11R0.42 N[C@@H](CCCCNC=O)C(=O)O MCULE-4391601903 [2,1,0,0,0,0|1,0,0]=4 229 B11R0.42 N[C@@H](CCCCNC=O)C(=O)O MCULE-4927440935 [2,1,0,0,0,0|1,0,0]=4 230 B13R0.261 CCOC(=O)C(N)CCCNC(=N)N MCULE-3597819106 [1,2,0,0,0,0|0,0,0]=3 231 B13R0.261 CCOC(=O)C(N)CCCNC(=N)N MCULE-4640909601 [1,2,0,0,0,0|0,0,0]=3 232 B13R0.261 CCOC(=O)C(N)CCCNC(=N)N MCULE-6928747390 [1,2,0,0,0,0|0,0,0]=3 233 B13R0.261 CCOC(=O)[C@@H](N)CCCNC(=N)N MCULE-3515414314 [1,2,0,0,0,0|0,0,0]=3 234 B13R0.261 CCOC(=O)[C@@H](N)CCCNC(=N)N MCULE-6624527926 [1,2,0,0,0,0|0,0,0]=3 235 B13R0.261 CCOC(=O)[C@@H](N)CCCNC(=N)N MCULE-7294596356 [1,2,0,0,0,0|0,0,0]=3 236 B13R0.261 CCOC(=O)[C@@H](N)CCCNC(=N)N MCULE-9921754152 [1,2,0,0,0,0|0,0,0]=3 237 B13R0.91 C=CCC(=N)NCCC[C@H](N)C(=O)O MCULE-1028443766 [1,2,0,0,0,0|1,0,0]=4 238 B13R0.91 C=CCC(=N)NCCC[C@H](N)C(=O)O MCULE-4666168187 [1,2,0,0,0,0|1,0,0]=4 239 B13R0.91 CCCC(=N)NCCC[C@H](N)C(=O)O MCULE-3925424238 [1,2,0,0,0,0|1,0,0]=4 240 B13R0.91 CCCC(=N)NCCC[C@H](N)C(=O)O MCULE-5887869461 [1,2,0,0,0,0|1,0,0]=4 241 B13R0.1121 C/N=C(\NC)/NCCC[C@H](N)C(=O)O MCULE-2043912759 [1,2,0,0,0,0|0,0,0]=3 242 B11R1.178 N=C(N)N1CCCC1C(=O)O MCULE-4919079296 [2,0,0,1,0,0|0,0,0]=3 243 B11R1.178 NC(=O)N1CCCC1C(=O)O MCULE-2099814008 [2,0,0,1,0,0|1,0,0]=4 244 B11R1.178 NC(=O)N1CCC[C@H]1C(=O)O MCULE-1581234645 [2,0,0,1,0,0|1,0,0]=4 245 B11R1.178 NC(=O)N1CCC[C@H]1C(=O)O MCULE-2695707693 [2,0,0,1,0,0|1,0,0]=4 246 B11R1.178 NC(=S)N1CCCC1C(=O)O MCULE-7138642484 [2,0,0,1,0,0|1,0,0]=4 247 B13R1.585 N=C(N)N[C@H]1CC[C@@H](CC1)C(=O)O MCULE-7259110805 [1,1,0,1,0,0|1,0,0]=4 248 B13R1.541 COC(=O)C1CC(CN1C(=O)N)O MCULE-9343339727 [1,1,0,1,0,0|1,0,0]=4 249 B13R1.541 NCC(=O)N1CC(CC1C(=O)O)O MCULE-7225342449 [1,1,0,1,0,0|1,0,0]=4 250 B13R1.541 NCC(=O)N1C[C@@H](C[C@H]1C(=O)O)O MCULE-2716710420 [1,1,0,1,0,0|1,0,0]=4 251 B13R1.541 NCC(=O)N1C[C@@H](C[C@H]1C(=O)O)O MCULE-6664284911 [1,1,0,1,0,0|1,0,0]=4 252 B11R0.30 N=C(N)NCCCCCC(=O)O MCULE-3719990664 [2,0,0,0,0,1|0,0,0]=3 253 B11R0.30 N=C(N)NCCCCCC(=O)O MCULE-6681139380 [2,0,0,0,0,1|0,0,0]=3 254 B11R0.30 NC(=O)NCCCCCC(=O)O MCULE-5723327422 [2,0,0,0,0,1|1,0,0]=4 255 B13R0.180 CC(=N)NCCSCC[C@H](N)C(=O)O MCULE-1504061521 [1,0,0,0,0,2|1,0,0]=4 256 B13R0.180 CC(=N)NCCSCC[C@H](N)C(=O)O MCULE-2897871968 [1,0,0,0,0,2|1,0,0]=4 257 B13R0.180 CC(=N)NCCSCC[C@H](N)C(=O)O MCULE-8651286367 [1,0,0,0,0,2|1,0,0]=4 258 B13R0.180 CC(=N)NCCSCC[C@H](N)C(=O)O MCULE-9288179859 [1,0,0,0,0,2|1,0,0]=4