0 B11R0.29 CC(=CCSC[C@H](N)C(=O)O)C MCULE-5799863579 [0,0,0,0,0,0|4,0,0]=4 1 B11R0.29 CC(=N)NCCC[C@H](N)C(=O)O MCULE-5358658112 [0,0,0,0,0,0|1,0,0]=1 2 B11R0.29 CC(=N)NCCC[C@H](N)C(=O)O MCULE-5606810596 [0,0,0,0,0,0|1,0,0]=1 3 B11R0.29 CC(=N)NCCC[C@H](N)C(=O)O MCULE-7980342928 [0,0,0,0,0,0|1,0,0]=1 4 B11R0.29 CC(=N)NCCC[C@H](N)C(=O)O MCULE-8195408633 [0,0,0,0,0,0|1,0,0]=1 5 B11R0.29 CC(=N)NCCC[C@H](N)C(=O)O MCULE-8216004356 [0,0,0,0,0,0|1,0,0]=1 6 B11R0.29 CC(=O)NCCCC(N)C(=O)O MCULE-5671867593 [0,0,0,0,0,0|2,0,0]=2 7 B11R0.29 CC(=O)NCCC[C@H](N)C(=O)O MCULE-1987849167 [0,0,0,0,0,0|2,0,0]=2 8 B11R0.29 CC(=O)NCCC[C@H](N)C(=O)O MCULE-5655137268 [0,0,0,0,0,0|2,0,0]=2 9 B11R0.29 CC(=O)NCSCC(N)C(=O)N MCULE-1098301355 [0,0,0,0,0,0|4,0,0]=4 10 B11R0.29 CC(=O)NCSCC(N)C(=O)N MCULE-3518739302 [0,0,0,0,0,0|4,0,0]=4 11 B11R0.29 CC(=O)NCSCC(N)C(=O)O MCULE-1709640374 [0,0,0,0,0,0|3,0,0]=3 12 B11R0.29 CC(=O)NCSCC(N)C(=O)O MCULE-3550759506 [0,0,0,0,0,0|3,0,0]=3 13 B11R0.29 CC(=O)NCSC[C@@H](N)C(=O)O MCULE-6373295824 [0,0,0,0,0,0|3,0,0]=3 14 B11R0.29 CC(=O)NCSC[C@@H](N)C(=O)O MCULE-7013130042 [0,0,0,0,0,0|3,0,0]=3 15 B11R0.29 CC(=O)NCSC[C@@H](N)C(=O)O MCULE-7188611038 [0,0,0,0,0,0|3,0,0]=3 16 B11R0.29 CC(=O)NCSC[C@@H](N)C(=O)O MCULE-8606728410 [0,0,0,0,0,0|3,0,0]=3 17 B11R0.29 CC(=O)NCSC[C@H](N)C(=O)N MCULE-1846985795 [0,0,0,0,0,0|4,0,0]=4 18 B11R0.29 CC(=O)NCSC[C@H](N)C(=O)N MCULE-2934599717 [0,0,0,0,0,0|4,0,0]=4 19 B11R0.29 CC(=O)NCSC[C@H](N)C(=O)N MCULE-3474712900 [0,0,0,0,0,0|4,0,0]=4 20 B11R0.29 CC(=O)NCSC[C@H](N)C(=O)N MCULE-7235564115 [0,0,0,0,0,0|4,0,0]=4 21 B11R0.29 CC(=O)NCSC[C@H](N)C(=O)O MCULE-2695923449 [0,0,0,0,0,0|3,0,0]=3 22 B11R0.29 CC(C)OCCCC(N)C(=O)O MCULE-9893578582 [0,0,0,0,0,0|3,0,1]=4 23 B11R0.29 CN(C)CCCCC(N)C(=O)O MCULE-6147962384 [0,0,0,0,0,0|4,0,0]=4 24 B11R0.29 CN(C)CCCCC(N)C(=O)O MCULE-7967152551 [0,0,0,0,0,0|4,0,0]=4 25 B11R0.29 CN(C)CCCC[C@H](N)C(=O)O MCULE-3135800759 [0,0,0,0,0,0|4,0,0]=4 26 B11R0.29 CN(C)CCCC[C@H](N)C(=O)O MCULE-4133814403 [0,0,0,0,0,0|4,0,0]=4 27 B11R0.29 CN(C)CCCC[C@H](N)C(=O)O MCULE-7654882207 [0,0,0,0,0,0|4,0,0]=4 28 B11R0.29 CN(C)CCCC[C@H](N)C(=O)O MCULE-8592172298 [0,0,0,0,0,0|4,0,0]=4 29 B11R0.29 N=C(N)NCCCC(N)C(=O)O MCULE-3125760737 [0,0,0,0,0,0|0,0,0]=0 30 B11R0.29 N=C(N)NCCCC(N)C(=O)O MCULE-5122302808 [0,0,0,0,0,0|0,0,0]=0 31 B11R0.29 N=C(N)NCCCC(N)C(=O)O MCULE-6153263942 [0,0,0,0,0,0|0,0,0]=0 32 B11R0.29 N=C(N)NCCCC(N)C(=O)O MCULE-9072241723 [0,0,0,0,0,0|0,0,0]=0 33 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)N MCULE-2053250402 [0,0,0,0,0,0|1,0,0]=1 34 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)N MCULE-4188771186 [0,0,0,0,0,0|1,0,0]=1 35 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)N MCULE-8070047581 [0,0,0,0,0,0|1,0,0]=1 36 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)N MCULE-8751936684 [0,0,0,0,0,0|1,0,0]=1 37 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)O MCULE-1262352579 [0,0,0,0,0,0|0,0,0]=0 38 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)O MCULE-3838347198 [0,0,0,0,0,0|0,0,0]=0 39 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)O MCULE-8676148534 [0,0,0,0,0,0|0,0,0]=0 40 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)O MCULE-9872369459 [0,0,0,0,0,0|0,0,0]=0 41 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)N MCULE-2060853069 [0,0,0,0,0,0|1,0,0]=1 42 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)N MCULE-3460042117 [0,0,0,0,0,0|1,0,0]=1 43 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)N MCULE-5810103294 [0,0,0,0,0,0|1,0,0]=1 44 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)N MCULE-7789670505 [0,0,0,0,0,0|1,0,0]=1 45 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O MCULE-1290049418 [0,0,0,0,0,0|0,0,0]=0 46 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O MCULE-4214642097 [0,0,0,0,0,0|0,0,0]=0 47 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O MCULE-5108123240 [0,0,0,0,0,0|0,0,0]=0 48 B11R0.29 N=C(N)NCCC[C@H](O)C(=O)O MCULE-5530430751 [0,0,0,0,0,0|1,0,0]=1 49 B11R0.29 N=C(N)NOCCC(=O)C(=O)O MCULE-3913893109 [0,0,0,0,0,0|2,0,1]=3 50 B11R0.29 N=C(N)NOCCC(N)C(=O)O MCULE-4434498846 [0,0,0,0,0,0|1,0,0]=1 51 B11R0.29 N=C(N)NOCCC(N)C(=O)O MCULE-8379182275 [0,0,0,0,0,0|1,0,0]=1 52 B11R0.29 N=C(N)NOCC[C@H](N)C(=O)O MCULE-4133667223 [0,0,0,0,0,0|1,0,0]=1 53 B11R0.29 N=C(N)NOCC[C@H](N)C(=O)O MCULE-5293692556 [0,0,0,0,0,0|1,0,0]=1 54 B11R0.29 N=C(N)NOCC[C@H](N)C(=O)O MCULE-5682580831 [0,0,0,0,0,0|1,0,0]=1 55 B11R0.29 N=C(N)NOCC[C@H](N)C(=O)O MCULE-8698650428 [0,0,0,0,0,0|1,0,0]=1 56 B11R0.29 N=C(N)SCCC[C@H](N)C(=O)O MCULE-4923497703 [0,0,0,0,0,0|1,0,0]=1 57 B11R0.29 N=C(N)SCCC[C@H](N)C(=O)O MCULE-6690848404 [0,0,0,0,0,0|1,0,0]=1 58 B11R0.29 N=C(N)SCCC[C@H](N)C(=O)O MCULE-8512874772 [0,0,0,0,0,0|1,0,0]=1 59 B11R0.29 NC(=NCCC[C@H](N)C(=O)O)N MCULE-6159466147 [0,0,0,0,0,0|0,0,2]=2 60 B11R0.29 NC(=O)C(N)CCCN=C(N)N MCULE-5320558657 [0,0,0,0,0,0|1,0,2]=3 61 B11R0.29 NC(=O)C(N)CCCN=C(N)N MCULE-9567284529 [0,0,0,0,0,0|1,0,2]=3 62 B11R0.29 NC(=O)NCCCC(N)C(=O)O MCULE-3107139098 [0,0,0,0,0,0|1,0,0]=1 63 B11R0.29 NC(=O)NCCCC(N)C(=O)O MCULE-9077514633 [0,0,0,0,0,0|1,0,0]=1 64 B11R0.29 NC(=O)NCCCC(N)C(=O)O MCULE-9892421890 [0,0,0,0,0,0|1,0,0]=1 65 B11R0.29 NC(=O)NCCCC(N)C(=O)S MCULE-6427757419 [0,0,0,0,0,0|1,1,0]=2 66 B11R0.29 NC(=O)NCCC[C@@H](N)C(=O)O MCULE-7003128917 [0,0,0,0,0,0|1,0,0]=1 67 B11R0.29 NC(=O)NCCC[C@@H](N)C(=O)O MCULE-9135693560 [0,0,0,0,0,0|1,0,0]=1 68 B11R0.29 NC(=O)NCCC[C@H](N)C(=O)O MCULE-2081339988 [0,0,0,0,0,0|1,0,0]=1 69 B11R0.29 NC(=O)NCCC[C@H](N)C(=O)O MCULE-5380647071 [0,0,0,0,0,0|1,0,0]=1 70 B11R0.29 NC(=O)NCCC[C@H](N)C(=O)O MCULE-5746772887 [0,0,0,0,0,0|1,0,0]=1 71 B11R0.29 NC(=S)NCCC[C@H](N)C(=O)O MCULE-9458174752 [0,0,0,0,0,0|1,0,0]=1 72 B11R0.29 NC(CCCCC(=O)O)C(=O)O MCULE-2486712857 [0,0,0,0,0,0|3,0,0]=3 73 B11R0.29 NC(CSCCC(=O)O)C(=O)O MCULE-1817232859 [0,0,0,0,0,0|4,0,0]=4 74 B11R0.29 N[C@@H](CCCCB(O)O)C(=O)O MCULE-3187192569 [0,0,0,0,0,0|4,0,0]=4 75 B11R0.29 N[C@@H](CCCCB(O)O)C(=O)O MCULE-7635800556 [0,0,0,0,0,0|4,0,0]=4 76 B11R0.29 N[C@@H](CCCCB(O)O)C(=O)O MCULE-7716159403 [0,0,0,0,0,0|4,0,0]=4 77 B11R0.29 N[C@@H](CCCCB(O)O)C(=O)O MCULE-8309654000 [0,0,0,0,0,0|4,0,0]=4 78 B11R0.29 N[C@@H](CCCCC(=O)O)C(=O)O MCULE-3457014875 [0,0,0,0,0,0|3,0,0]=3 79 B11R0.29 N[C@@H](CCCCC(=O)O)C(=O)O MCULE-4557682979 [0,0,0,0,0,0|3,0,0]=3 80 B11R0.29 N[C@@H](CSCCC(=O)O)C(=O)O MCULE-2469874774 [0,0,0,0,0,0|4,0,0]=4 81 B11R0.29 N[C@@H](CSCCC(=O)O)C(=O)O MCULE-8976065741 [0,0,0,0,0,0|4,0,0]=4 82 B11R0.29 N[C@H](CCCCC(=O)O)C(=O)O MCULE-7148013181 [0,0,0,0,0,0|3,0,0]=3 83 B11R0.29 N[C@H](CCCCC(=O)O)C(=O)O MCULE-8965199592 [0,0,0,0,0,0|3,0,0]=3 84 B11R0.29 N[C@H](CSCCC(=O)O)C(=O)O MCULE-5217293992 [0,0,0,0,0,0|4,0,0]=4 85 B11R0.29 [C@H](N)(CCCNC(=N)N)C(=O)O MCULE-3794564775 [0,0,0,0,0,0|0,0,0]=0 86 B11R0.29 [C@H](N)(CSCNC(=O)C)C(=O)O MCULE-5543687296 [0,0,0,0,0,0|3,0,0]=3 87 B11R0.29 [C@H](N)(CSCNC(=O)C)C(=O)O MCULE-9668621656 [0,0,0,0,0,0|3,0,0]=3 88 B11R0.29 [C@H]([NH3+])(CSCNC(=O)C)C(=O)O MCULE-9323832704 [0,0,0,0,0,0|3,0,1]=4 89 B10R0.55 NC(=O)NCCC[C@H](N)CO MCULE-3843882509 [1,0,0,0,0,0|1,0,1]=3 90 B10R0.55 NC(=O)NCCC[C@H](N)CO MCULE-6658263929 [1,0,0,0,0,0|1,0,1]=3 91 B10R0.75 C=CCCCCC(N)C(=O)O MCULE-9003674294 [1,0,0,0,0,0|2,0,0]=3 92 B10R0.75 C=CCCCC[C@@H](N)C(=O)O MCULE-5424595854 [1,0,0,0,0,0|2,0,0]=3 93 B10R0.75 C=CCCCC[C@@H](N)C(=O)O MCULE-7894205841 [1,0,0,0,0,0|2,0,0]=3 94 B10R0.75 C=CCCCC[C@H](N)C(=O)O MCULE-6386840550 [1,0,0,0,0,0|2,0,0]=3 95 B10R0.75 C=CCCCC[C@H](N)C(=O)O MCULE-8206632491 [1,0,0,0,0,0|2,0,0]=3 96 B10R0.75 CCCCCCC(N)C(=O)O MCULE-2527731470 [1,0,0,0,0,0|2,0,1]=4 97 B10R0.75 CCCCCCC(N)C(=O)O MCULE-5498377990 [1,0,0,0,0,0|2,0,1]=4 98 B10R0.75 CCCCCC[C@@H](N)C(=O)O MCULE-9163680563 [1,0,0,0,0,0|2,0,1]=4 99 B10R0.75 CCCCCC[C@@H](N)C(=O)O MCULE-9959237270 [1,0,0,0,0,0|2,0,1]=4 100 B10R0.75 CCCCCC[C@H](N)C(=O)O MCULE-6660531044 [1,0,0,0,0,0|2,0,1]=4 101 B10R0.75 CCCCCC[C@H](N)C(=O)O MCULE-7151037911 [1,0,0,0,0,0|2,0,1]=4 102 B10R0.75 CNCCCCC(N)C(=O)O MCULE-5703952072 [1,0,0,0,0,0|3,0,0]=4 103 B10R0.75 CNCCCCC(N)C(=O)O MCULE-8267439974 [1,0,0,0,0,0|3,0,0]=4 104 B10R0.75 CNCCCC[C@H](N)C(=O)O MCULE-4130643324 [1,0,0,0,0,0|3,0,0]=4 105 B10R0.75 CNCCCC[C@H](N)C(=O)O MCULE-5394599260 [1,0,0,0,0,0|3,0,0]=4 106 B10R0.75 CNCCCC[C@H](N)C(=O)O MCULE-6328038825 [1,0,0,0,0,0|3,0,0]=4 107 B10R0.75 CNCCCC[C@H](N)C(=O)O MCULE-6736060504 [1,0,0,0,0,0|3,0,0]=4 108 B10R0.75 NC(CCNCC=O)C(=O)O MCULE-6659524915 [1,0,0,0,0,0|3,0,0]=4 109 B10R0.75 NCCCCC[C@@H](N)C(=O)O MCULE-7846811170 [1,0,0,0,0,0|1,0,1]=3 110 B10R0.75 NCCCCC[C@@H](N)C(=O)O MCULE-8562914837 [1,0,0,0,0,0|1,0,1]=3 111 B10R0.75 NCCCCC[C@H](N)C(=O)O MCULE-4522889843 [1,0,0,0,0,0|1,0,1]=3 112 B10R0.75 NCCCCC[C@H](N)C(=O)O MCULE-9026496023 [1,0,0,0,0,0|1,0,1]=3 113 B10R0.75 NCCCSC[C@H](N)C(=O)O MCULE-9670718396 [1,0,0,0,0,0|2,0,1]=4 114 B10R0.75 NCCC[Se]C[C@H](N)C(=O)O MCULE-4318104451 [1,0,0,0,0,0|2,0,1]=4 115 B10R0.75 [N-]=[N+]=NCCC[C@@H](N)C(=O)O MCULE-2902827107 [1,0,0,0,0,0|1,0,2]=4 116 B10R0.75 [N-]=[N+]=NCCC[C@H](N)C(=O)O MCULE-6058924639 [1,0,0,0,0,0|1,0,2]=4 117 B10R0.75 [N-]=[N+]=NCCC[C@H](N)C(=O)O MCULE-6632469133 [1,0,0,0,0,0|1,0,2]=4 118 B10R0.75 [N-]=[N+]=NCCC[C@H](N)C(=O)O MCULE-7192387796 [1,0,0,0,0,0|1,0,2]=4 119 B10R0.97 C=C(Br)CCCCCC(=O)O MCULE-1129581582 [1,0,0,0,0,0|3,0,0]=4 120 B10R0.97 C=C(C)CCCCCC(=O)O MCULE-6091105789 [1,0,0,0,0,0|3,0,0]=4 121 B10R0.97 C=C(Cl)CCCCCC(=O)O MCULE-6548751857 [1,0,0,0,0,0|3,0,0]=4 122 B10R0.97 CC(=CCCCCC(=O)O)C MCULE-6679290438 [1,0,0,0,0,0|3,0,0]=4 123 B10R0.97 CC(=O)CCCCCC(=O)O MCULE-4488400468 [1,0,0,0,0,0|3,0,0]=4 124 B10R0.97 CC(=O)NCCCCC(=O)O MCULE-6323800073 [1,0,0,0,0,0|2,0,0]=3 125 B10R0.97 CC(=O)NCCOCC(=O)O MCULE-8156973678 [1,0,0,0,0,0|3,0,0]=4 126 B10R0.97 CC(=O)NCSCCC(=O)O MCULE-1672994332 [1,0,0,0,0,0|3,0,0]=4 127 B10R0.97 N=C(N)CCCCCC(=N)N MCULE-7581700737 [1,0,0,0,0,0|3,0,0]=4 128 B10R0.97 N=C(N)NCCCCC(=O)O MCULE-2807872503 [1,0,0,0,0,0|0,0,0]=1 129 B10R0.97 N=C(N)SCCCCC(=O)O MCULE-6602460811 [1,0,0,0,0,0|1,0,0]=2 130 B10R0.97 NC(=O)NCCCCC(=O)O MCULE-1121500109 [1,0,0,0,0,0|1,0,0]=2 131 B10R0.97 NC(=[NH2+])SCCCCC(=O)O MCULE-4252972328 [1,0,0,0,0,0|1,0,1]=3 132 B10R0.97 O=C(O)CCCCCC(=O)O MCULE-9618389016 [1,0,0,0,0,0|3,0,0]=4 133 B12R0.86 COC(=O)C(N)CCCNC(=N)N MCULE-5000268586 [0,1,0,0,0,0|0,0,0]=1 134 B12R0.86 COC(=O)C(N)CCCNC(=O)N MCULE-3252838346 [0,1,0,0,0,0|1,0,0]=2 135 B12R0.86 COC(=O)C([NH3+])CCCNC(=N)[NH3+] MCULE-9392759361 [0,1,0,0,0,0|0,0,2]=3 136 B12R0.86 COC(=O)[C@@H](N)CCCNC(=N)N MCULE-2986619830 [0,1,0,0,0,0|0,0,0]=1 137 B12R0.86 COC(=O)[C@@H](N)CCCNC(=N)N MCULE-6061371144 [0,1,0,0,0,0|0,0,0]=1 138 B12R0.86 COC(=O)[C@@H](N)CCCNC(=N)N MCULE-7173257489 [0,1,0,0,0,0|0,0,0]=1 139 B12R0.86 COC(=O)[C@@H](N)CCCNC(=N)N MCULE-7536983454 [0,1,0,0,0,0|0,0,0]=1 140 B12R0.86 COC(=O)[C@@H](N)CCCNC(=N)N MCULE-7555090022 [0,1,0,0,0,0|0,0,0]=1 141 B12R0.86 COC(=O)[C@@H](N)CCCNC(=O)N MCULE-5249311648 [0,1,0,0,0,0|1,0,0]=2 142 B12R0.86 COC(=O)[C@@H](N)CCCNC(=O)N MCULE-6644204781 [0,1,0,0,0,0|1,0,0]=2 143 B12R0.86 COC(=O)[C@@H](N)CCONC(=N)N MCULE-1024230738 [0,1,0,0,0,0|1,0,0]=2 144 B12R0.86 COC(=O)[C@@H](N)CCONC(=N)N MCULE-8644239659 [0,1,0,0,0,0|1,0,0]=2 145 B12R0.86 COC(=O)[C@H](N)CCCNC(=N)N MCULE-4290297534 [0,1,0,0,0,0|0,0,0]=1 146 B12R0.86 COC(=O)[C@H](N)CCCNC(=N)N MCULE-4345388880 [0,1,0,0,0,0|0,0,0]=1 147 B12R0.86 COC(=O)[C@H](N)CCCNC(=N)N MCULE-5054794948 [0,1,0,0,0,0|0,0,0]=1 148 B12R0.86 COC(=O)[C@H](N)CCCNC(=N)N MCULE-8949099168 [0,1,0,0,0,0|0,0,0]=1 149 B12R0.86 CSC(=O)C(N)CCCNC(=N)N MCULE-4264441244 [0,1,0,0,0,0|0,1,0]=2 150 B12R0.86 CSC(=O)C(N)CCCNC(=N)N MCULE-4986536109 [0,1,0,0,0,0|0,1,0]=2 151 B12R0.86 CSC(=O)[C@@H](N)CCCNC(=O)N MCULE-3142055425 [0,1,0,0,0,0|1,1,0]=3 152 B12R0.86 CSC(=O)[C@@H](N)CCCNC(=O)N MCULE-6193058345 [0,1,0,0,0,0|1,1,0]=3 153 B12R0.86 CSC(=O)[C@@H](N)CCCNC(=O)N MCULE-6954166742 [0,1,0,0,0,0|1,1,0]=3 154 B12R0.86 CSC(=O)[C@@H](N)CCCNC(=O)N MCULE-7859691382 [0,1,0,0,0,0|1,1,0]=3 155 B12R0.186 C/N=C(\N)/NCCC[C@@H](N)C(=O)O MCULE-1121225078 [0,1,0,0,0,0|0,0,0]=1 156 B12R0.186 C/N=C(\N)/NCCC[C@@H](N)C(=O)O MCULE-2907641468 [0,1,0,0,0,0|0,0,0]=1 157 B12R0.186 C/N=C(\N)/NCCC[C@H](N)C(=O)O MCULE-2729068755 [0,1,0,0,0,0|0,0,0]=1 158 B12R0.186 C/N=C(\N)/NCCC[C@H](N)C(=O)O MCULE-7531846873 [0,1,0,0,0,0|0,0,0]=1 159 B12R0.186 CCC(=N)NCCC[C@H](N)C(=O)O MCULE-5572284521 [0,1,0,0,0,0|1,0,0]=2 160 B12R0.186 CCC(=N)NCCC[C@H](N)C(=O)O MCULE-9860243160 [0,1,0,0,0,0|1,0,0]=2 161 B12R0.186 CNC(=N)NCCCC(N)C(=O)O MCULE-3120898540 [0,1,0,0,0,0|0,0,0]=1 162 B12R0.186 CNC(=N)NCCCC(N)C(=O)O MCULE-3301375059 [0,1,0,0,0,0|0,0,0]=1 163 B12R0.186 CNC(=N)NCCC[C@H](N)C(=O)O MCULE-1797380040 [0,1,0,0,0,0|0,0,0]=1 164 B12R0.186 CNC(=N)NCCC[C@H](N)C(=O)O MCULE-2048487137 [0,1,0,0,0,0|0,0,0]=1 165 B12R0.186 CNC(=N)NCCC[C@H](N)C(=O)O MCULE-4043013639 [0,1,0,0,0,0|0,0,0]=1 166 B12R0.186 CNC(=N)NCCC[C@H](N)C(=O)O MCULE-7261766442 [0,1,0,0,0,0|0,0,0]=1 167 B12R0.186 CS/C(=N\CCC[C@H](N)C(=O)O)/N MCULE-7775622185 [0,1,0,0,0,0|1,0,1]=3 168 B12R0.186 CSC(=N)NCCC[C@H](N)C(=O)O MCULE-5223449899 [0,1,0,0,0,0|1,0,0]=2 169 B12R0.186 CSC(=N)NCCC[C@H](N)C(=O)O MCULE-7858319216 [0,1,0,0,0,0|1,0,0]=2 170 B12R0.186 N=C(NN)NCCC[C@H](N)C(=O)O MCULE-2418194249 [0,1,0,0,0,0|0,0,0]=1 171 B12R0.186 N=C(NN)NCCC[C@H](N)C(=O)O MCULE-6985568991 [0,1,0,0,0,0|0,0,0]=1 172 B12R0.186 N=C(NO)NCCC[C@H](N)C(=O)O MCULE-1051612567 [0,1,0,0,0,0|0,0,0]=1 173 B12R0.186 N=C(NO)NCCC[C@H](N)C(=O)O MCULE-1231852000 [0,1,0,0,0,0|0,0,0]=1 174 B12R0.238 CN[C@@H](CCCNC(=N)N)C(=O)O MCULE-1167157550 [0,1,0,0,0,0|0,0,0]=1 175 B12R0.238 CN[C@@H](CCCNC(=N)N)C(=O)O MCULE-2963335078 [0,1,0,0,0,0|0,0,0]=1 176 B12R0.238 CN[C@@H](CCCNC(=N)N)C(=O)O MCULE-5560203385 [0,1,0,0,0,0|0,0,0]=1 177 B12R0.238 CN[C@@H](CCCNC(=N)N)C(=O)O MCULE-8602495389 [0,1,0,0,0,0|0,0,0]=1 178 B12R0.238 NC(=NCCCC(CS)C(=O)O)N MCULE-8475208285 [0,1,0,0,0,0|1,0,2]=4 179 B12R0.627 NC(CCCC(N)C(=O)O)C(=O)O MCULE-5199298661 [0,1,0,0,0,0|3,0,0]=4 180 B12R0.627 N[C@@H](CCC[C@@H](N)C(=O)O)C(=O)O MCULE-5816483960 [0,1,0,0,0,0|3,0,0]=4 181 B12R0.627 N[C@@H](CCC[C@H](N)C(=O)O)C(=O)O MCULE-1778670578 [0,1,0,0,0,0|3,0,0]=4 182 B12R0.627 N[C@@H](CCC[C@H](N)C(=O)O)C(=O)O MCULE-9178941791 [0,1,0,0,0,0|3,0,0]=4 183 B12R0.687 CC(=O)NC(=O)CCC(N)C(=O)O MCULE-2604827857 [0,1,0,0,0,0|2,0,1]=4 184 B12R0.687 CC(=O)NC(=O)CC[C@H](N)C(=O)O MCULE-5226244303 [0,1,0,0,0,0|2,0,1]=4 185 B12R0.687 CC(=O)NC(=O)CC[C@H](N)C(=O)O MCULE-6434591285 [0,1,0,0,0,0|2,0,1]=4 186 B12R1.104 NC(CC1=CNC(=N1)S)C(=O)O MCULE-9465947211 [0,0,0,1,0,0|1,0,2]=4 187 B12R1.104 NC1=NC(=CN1)C[C@H](N)C(=O)O MCULE-6106532520 [0,0,0,1,0,0|0,0,2]=3 188 B12R1.104 N[C@@H](CC1=CNC(=N1)O)C(=O)O MCULE-9186293071 [0,0,0,1,0,0|1,0,2]=4 189 B12R1.104 N[C@@H](CC1=CNC(=N1)S)C(=O)O MCULE-9093847859 [0,0,0,1,0,0|1,0,2]=4 190 B12R1.104 N[C@@H](CC1=CNC(=S)N1)C(=O)O MCULE-3988472498 [0,0,0,1,0,0|1,0,2]=4 191 B12R1.258 CC(=O)N1CCCC(C1)C(=O)O MCULE-2326703264 [0,0,0,1,0,0|3,0,0]=4 192 B12R1.258 CC(=O)N1CCC[C@@H](C1)C(=O)O MCULE-2720998952 [0,0,0,1,0,0|3,0,0]=4 193 B12R1.258 CC(=O)N1CCC[C@@H](C1)C(=O)O MCULE-4356837818 [0,0,0,1,0,0|3,0,0]=4 194 B12R1.258 CC(=O)N1CCC[C@H](C1)C(=O)O MCULE-4379891928 [0,0,0,1,0,0|3,0,0]=4 195 B12R1.258 CC(=O)N1CCC[C@H](C1)C(=O)O MCULE-8013678613 [0,0,0,1,0,0|3,0,0]=4 196 B12R1.258 N=C(N)N1CCCC(C1)C(=O)O MCULE-9318604892 [0,0,0,1,0,0|1,0,0]=2 197 B12R1.258 NC(=O)C1CCCC(C1)C(=O)O MCULE-2730743019 [0,0,0,1,0,0|3,0,0]=4 198 B12R1.258 NC(=O)C1CCCN(C1)C(=O)N MCULE-8816717672 [0,0,0,1,0,0|3,0,0]=4 199 B12R1.258 NC(=O)C1CCC[C@@H](C1)C(=O)O MCULE-6377571763 [0,0,0,1,0,0|3,0,0]=4 200 B12R1.258 NC(=O)N1CCCC(C1)C(=O)O MCULE-6020689201 [0,0,0,1,0,0|2,0,0]=3 201 B12R1.258 NC(=O)N1CCCC(C1)C(=O)O MCULE-6379077809 [0,0,0,1,0,0|2,0,0]=3 202 B12R1.258 O=C(O)C1CCCC(N1)C(=O)O MCULE-1816268674 [0,0,0,1,0,0|3,0,0]=4 203 B12R1.258 O=C(O)[C@@H]1CCC[C@@H](N1)C(=O)O MCULE-3140137492 [0,0,0,1,0,0|3,0,0]=4 204 B12R1.1388 CC(=O)N1CCCC1(C)C(=O)O MCULE-1907207934 [0,0,0,1,0,0|3,0,0]=4 205 B12R1.1388 CC(=O)N1CCC[C@]1(C)C(=O)O MCULE-3679005256 [0,0,0,1,0,0|3,0,0]=4 206 B12R1.1388 CC(=O)N1CCC[C@]1(C)C(=O)O MCULE-5226979290 [0,0,0,1,0,0|3,0,0]=4 207 B12R1.2709 CC1(CCCCC(=O)N1)C(=O)O MCULE-4375736331 [0,0,0,1,0,0|3,0,0]=4 208 B10R0.98 CC(=O)CCCC(C)C(=O)O MCULE-5760169093 [0,0,0,0,1,0|3,0,0]=4 209 B10R0.98 CC(=O)NCC[C@H](N)C(=O)O MCULE-5384056558 [0,0,0,0,1,0|2,0,0]=3 210 B10R0.98 CC(=O)NCC[C@H](N)C(=O)O MCULE-9151560319 [0,0,0,0,1,0|2,0,0]=3 211 B10R0.98 CC(=O)OCCC(N)C(=O)O MCULE-7691334763 [0,0,0,0,1,0|3,0,0]=4 212 B10R0.98 CC(=O)OCCC(N)C(=O)O MCULE-9993433450 [0,0,0,0,1,0|3,0,0]=4 213 B10R0.98 CC(=O)OCC[C@H](N)C(=O)O MCULE-5425852779 [0,0,0,0,1,0|3,0,0]=4 214 B10R0.98 CC(=O)OCC[C@H](N)C(=O)O MCULE-6909234177 [0,0,0,0,1,0|3,0,0]=4 215 B10R0.98 CC(C)CCCC(N)C(=O)O MCULE-5699505174 [0,0,0,0,1,0|2,0,1]=4 216 B10R0.98 CC(C)CCCC(N)C(=O)O MCULE-8151358815 [0,0,0,0,1,0|2,0,1]=4 217 B10R0.98 CC(C)CCC[C@H](N)C(=O)O MCULE-3341158972 [0,0,0,0,1,0|2,0,1]=4 218 B10R0.98 CC(C)CCC[C@H](N)C(=O)O MCULE-6452147303 [0,0,0,0,1,0|2,0,1]=4 219 B10R0.98 CC(N)CCCC(C)C(=O)O MCULE-5130020295 [0,0,0,0,1,0|2,0,1]=4 220 B10R0.98 CC(N)CCCC(C)C(=O)O MCULE-6070288614 [0,0,0,0,1,0|2,0,1]=4 221 B10R0.98 CN(C)CCC[C@H](N)C(=O)O MCULE-9481059271 [0,0,0,0,1,0|3,0,0]=4 222 B10R0.98 N=C(N)NCCC(N)C(=O)O MCULE-2234773343 [0,0,0,0,1,0|0,0,0]=1 223 B10R0.98 N=C(N)NCCC(N)C(=O)O MCULE-9635728361 [0,0,0,0,1,0|0,0,0]=1 224 B10R0.98 N=C(N)NCC[C@H](N)C(=O)O MCULE-5360635274 [0,0,0,0,1,0|0,0,0]=1 225 B10R0.98 N=C(N)NCC[C@H](N)C(=O)O MCULE-7633853490 [0,0,0,0,1,0|0,0,0]=1 226 B10R0.98 NC(CCCC(=O)O)C(=O)O MCULE-3021567253 [0,0,0,0,1,0|2,0,0]=3 227 B10R0.98 NC(CCCC(=O)O)C(=O)O MCULE-7434229402 [0,0,0,0,1,0|2,0,0]=3 228 B10R0.98 NC(CCCC(=O)O)C(=O)O MCULE-8474963048 [0,0,0,0,1,0|2,0,0]=3 229 B10R0.98 NC(CSCC(=O)O)C(=O)O MCULE-1997609241 [0,0,0,0,1,0|3,0,0]=4 230 B10R0.98 N[C@@H](CCCC(=O)O)C(=O)O MCULE-1991686030 [0,0,0,0,1,0|2,0,0]=3 231 B10R0.98 N[C@@H](CCCC(=O)O)C(=O)O MCULE-6053925503 [0,0,0,0,1,0|2,0,0]=3 232 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O MCULE-3291004829 [0,0,0,0,1,0|3,0,0]=4 233 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O MCULE-3828091379 [0,0,0,0,1,0|3,0,0]=4 234 B10R0.98 N[C@H](CCCC(=O)O)C(=O)O MCULE-3179500404 [0,0,0,0,1,0|2,0,0]=3 235 B10R0.98 N[C@H](CCCC(=O)O)C(=O)O MCULE-9722366772 [0,0,0,0,1,0|2,0,0]=3 236 B10R0.98 O=C(O)CCCC(O)C(=O)O MCULE-5970708862 [0,0,0,0,1,0|3,0,0]=4 237 B10R0.98 O=C(O)CCC[C@H](O)C(=O)O MCULE-4157551693 [0,0,0,0,1,0|3,0,0]=4 238 B12R0.42 C/C(=N/CCCC[C@H](N)C(=O)O)/N MCULE-7878147954 [0,0,0,0,0,1|1,0,1]=3 239 B12R0.42 CC(=N)NCCCCC(N)C(=O)O MCULE-2748186789 [0,0,0,0,0,1|1,0,0]=2 240 B12R0.42 CC(=N)NCCCCC(N)C(=O)O MCULE-6164256302 [0,0,0,0,0,1|1,0,0]=2 241 B12R0.42 CC(=N)NCCCC[C@H](N)C(=O)O MCULE-2218386265 [0,0,0,0,0,1|1,0,0]=2 242 B12R0.42 CC(=N)NCCCC[C@H](N)C(=O)O MCULE-5581195825 [0,0,0,0,0,1|1,0,0]=2 243 B12R0.42 CC(=N)NCCCC[C@H](N)C(=O)O MCULE-8004298113 [0,0,0,0,0,1|1,0,0]=2 244 B12R0.42 CC(=O)CCCCCC(N)C(=O)O MCULE-8560922815 [0,0,0,0,0,1|3,0,0]=4 245 B12R0.42 CC(=O)CCCCCC(N)C(=O)O MCULE-9405826819 [0,0,0,0,0,1|3,0,0]=4 246 B12R0.42 CC(=O)NCCCCC(N)C(=O)O MCULE-4363164306 [0,0,0,0,0,1|2,0,0]=3 247 B12R0.42 CC(=O)NCCCCC(N)C(=O)O MCULE-7418953050 [0,0,0,0,0,1|2,0,0]=3 248 B12R0.42 CC(=O)NCCCC[C@@H](N)C(=O)O MCULE-2826730309 [0,0,0,0,0,1|2,0,0]=3 249 B12R0.42 CC(=O)NCCCC[C@H](N)C(=O)O MCULE-2500699001 [0,0,0,0,0,1|2,0,0]=3 250 B12R0.42 CC(=O)NCCCC[C@H](N)C(=O)O MCULE-2747158053 [0,0,0,0,0,1|2,0,0]=3 251 B12R0.42 CC(=O)NCCCC[C@H](N)C(=O)O MCULE-8086021811 [0,0,0,0,0,1|2,0,0]=3 252 B12R0.42 CC(=O)NCCCC[C@H](N)C(=O)O MCULE-9503615061 [0,0,0,0,0,1|2,0,0]=3 253 B12R0.42 CC(C)NCCCCC(N)C(=O)O MCULE-4725150112 [0,0,0,0,0,1|2,0,1]=4 254 B12R0.42 CC(C)NCCCC[C@H](N)C(=O)O MCULE-1146954302 [0,0,0,0,0,1|2,0,1]=4 255 B12R0.42 N=C(N)NCCCCC(N)C(=O)O MCULE-1114934644 [0,0,0,0,0,1|0,0,0]=1 256 B12R0.42 N=C(N)NCCCCC(N)C(=O)O MCULE-4078920174 [0,0,0,0,0,1|0,0,0]=1 257 B12R0.42 N=C(N)NCCCC[C@@H](N)C(=O)O MCULE-1049518743 [0,0,0,0,0,1|0,0,0]=1 258 B12R0.42 N=C(N)NCCCC[C@@H](N)C(=O)O MCULE-4108646118 [0,0,0,0,0,1|0,0,0]=1 259 B12R0.42 N=C(N)NCCCC[C@@H](N)C(=O)O MCULE-4835018951 [0,0,0,0,0,1|0,0,0]=1 260 B12R0.42 N=C(N)NCCCC[C@@H](N)C(=O)O MCULE-5471188514 [0,0,0,0,0,1|0,0,0]=1 261 B12R0.42 N=C(N)NCCCC[C@H](N)C(=O)O MCULE-1726271138 [0,0,0,0,0,1|0,0,0]=1 262 B12R0.42 N=C(N)NCCCC[C@H](N)C(=O)O MCULE-2352708400 [0,0,0,0,0,1|0,0,0]=1 263 B12R0.42 N=C(N)NCCCC[C@H](N)C(=O)O MCULE-6794898094 [0,0,0,0,0,1|0,0,0]=1 264 B12R0.42 N=C(N)NCCCC[C@H](N)C(=O)O MCULE-7371205614 [0,0,0,0,0,1|0,0,0]=1 265 B12R0.42 NC(=O)NCCCCC(N)C(=O)O MCULE-5422005056 [0,0,0,0,0,1|1,0,0]=2 266 B12R0.42 NC(=O)NCCCCC(N)C(=O)O MCULE-6598703304 [0,0,0,0,0,1|1,0,0]=2 267 B12R0.42 NC(=O)NCCCC[C@@H](N)C(=O)O MCULE-6382139330 [0,0,0,0,0,1|1,0,0]=2 268 B12R0.42 NC(=O)NCCCC[C@@H](N)C(=O)O MCULE-7025106309 [0,0,0,0,0,1|1,0,0]=2 269 B12R0.42 NC(=O)NCCCC[C@H](N)C(=O)O MCULE-7636320216 [0,0,0,0,0,1|1,0,0]=2 270 B12R0.42 NC(=O)NCCCC[C@H](N)C(=O)O MCULE-7719006708 [0,0,0,0,0,1|1,0,0]=2 271 B12R0.42 NC(CCCCCC(=O)O)C(=O)O MCULE-7949829956 [0,0,0,0,0,1|3,0,0]=4 272 B12R0.42 NC(CSCCCC(=O)O)C(=O)O MCULE-6552348472 [0,0,0,0,0,1|3,0,0]=4 273 B12R0.42 N[C@@H](CCCCCC(=O)O)C(=O)O MCULE-2069821066 [0,0,0,0,0,1|3,0,0]=4 274 B12R0.42 N[C@@H](CCCCCC(=O)O)C(=O)O MCULE-3495032122 [0,0,0,0,0,1|3,0,0]=4 275 B12R0.42 N[C@@H](CSCCCC(=O)O)C(=O)O MCULE-1221416102 [0,0,0,0,0,1|3,0,0]=4 276 B12R0.42 N[C@@H](CSCCCC(=O)O)C(=O)O MCULE-2038684739 [0,0,0,0,0,1|3,0,0]=4 277 B12R0.42 N[C@H](CCCCCC(=O)O)C(=O)O MCULE-2692259414 [0,0,0,0,0,1|3,0,0]=4 278 B12R0.42 N[C@H](CCCCCC(=O)O)C(=O)O MCULE-6806526657 [0,0,0,0,0,1|3,0,0]=4 279 B12R0.42 [C@@H](N)(CCCCNC(=O)C)C(=O)O MCULE-9387648281 [0,0,0,0,0,1|2,0,0]=3 280 B12R0.270 CC(=O)NCCC[C@@H](N)CC(=O)O MCULE-4886618146 [0,0,0,0,0,1|2,0,0]=3 281 B12R0.270 N=C(N)NCCC[C@@H](N)CC(=O)O MCULE-3804537269 [0,0,0,0,0,1|0,0,0]=1 282 B9R0.2 C=CCCCCCC(=O)O MCULE-6571932731 [2,0,0,0,0,0|2,0,0]=4 283 B9R0.2 CCNCCCCC(=O)O MCULE-1386195341 [2,0,0,0,0,0|1,0,1]=4 284 B9R0.2 CCNCCCCC(=O)O MCULE-1922836400 [2,0,0,0,0,0|1,0,1]=4 285 B9R0.2 NCCCCCCC(=O)O MCULE-6089872609 [2,0,0,0,0,0|1,0,1]=4 286 B9R0.2 NCCCCCCC(=O)O MCULE-7769232328 [2,0,0,0,0,0|1,0,1]=4 287 B9R0.2 NOCCCCCC(=O)O MCULE-3221083368 [2,0,0,0,0,0|2,0,0]=4 288 B9R0.2 NOCCCCCC(=O)O MCULE-6721085396 [2,0,0,0,0,0|2,0,0]=4 289 B9R0.2 NOCCCCCC(=O)O MCULE-7170875932 [2,0,0,0,0,0|2,0,0]=4 290 B9R0.2 O=CCCCCCC(=O)O MCULE-1442157793 [2,0,0,0,0,0|2,0,0]=4 291 B9R0.55 N=C(N)NCCCC(=O)O MCULE-6633038701 [2,0,0,0,0,0|1,0,1]=4 292 B9R0.47 C#CCCC[C@@H](N)C(=O)O MCULE-1522125822 [2,0,0,0,0,0|1,0,1]=4 293 B9R0.47 C#CCCC[C@@H](N)C(=O)O MCULE-2184948430 [2,0,0,0,0,0|1,0,1]=4 294 B9R0.47 C#CCCC[C@H](N)C(=O)O MCULE-3478575968 [2,0,0,0,0,0|1,0,1]=4 295 B9R0.47 C#CCCC[C@H](N)C(=O)O MCULE-5307313414 [2,0,0,0,0,0|1,0,1]=4 296 B9R0.47 C(N)(CCCCN)C(=O)O MCULE-7060791798 [2,0,0,0,0,0|0,0,1]=3 297 B9R0.47 C=CCCCC(N)C(=O)O MCULE-3707920281 [2,0,0,0,0,0|1,0,0]=3 298 B9R0.47 C=CCCCC(N)C(=O)O MCULE-5939027667 [2,0,0,0,0,0|1,0,0]=3 299 B9R0.47 C=CCCCC(N)C(=O)O MCULE-6095387409 [2,0,0,0,0,0|1,0,0]=3 300 B9R0.47 C=CCCC[C@@H](N)C(=O)O MCULE-2101628204 [2,0,0,0,0,0|1,0,0]=3 301 B9R0.47 C=CCCC[C@@H](N)C(=O)O MCULE-7328150693 [2,0,0,0,0,0|1,0,0]=3 302 B9R0.47 C=CCCC[C@H](N)C(=O)O MCULE-1162071877 [2,0,0,0,0,0|1,0,0]=3 303 B9R0.47 C=CCCC[C@H](N)C(=O)O MCULE-7245809917 [2,0,0,0,0,0|1,0,0]=3 304 B9R0.47 C=CCSCC(N)C(=O)O MCULE-6058548878 [2,0,0,0,0,0|2,0,0]=4 305 B9R0.47 C=CCSCC(N)C(=O)O MCULE-9209051108 [2,0,0,0,0,0|2,0,0]=4 306 B9R0.47 C=CCSC[C@@H](N)C(=O)O MCULE-8305031365 [2,0,0,0,0,0|2,0,0]=4 307 B9R0.47 C=CCSC[C@@H](N)C(=O)O MCULE-9911064679 [2,0,0,0,0,0|2,0,0]=4 308 B9R0.47 C=CCSC[C@H](N)C(=O)O MCULE-8106938913 [2,0,0,0,0,0|2,0,0]=4 309 B9R0.47 C=CCSC[C@H](N)C(=O)O MCULE-8215284816 [2,0,0,0,0,0|2,0,0]=4 310 B9R0.47 C=CCSC[C@H](N)C(=O)O MCULE-9415243514 [2,0,0,0,0,0|2,0,0]=4 311 B9R0.47 C=CSCC[C@H](N)C(=O)O MCULE-2736074137 [2,0,0,0,0,0|2,0,0]=4 312 B9R0.47 CCCCCC(N)C(=O)O MCULE-5558679374 [2,0,0,0,0,0|1,0,1]=4 313 B9R0.47 CCCCCC(N)C(=O)O MCULE-8607576790 [2,0,0,0,0,0|1,0,1]=4 314 B9R0.47 CCCCC[C@@H](N)C(=O)O MCULE-3981603450 [2,0,0,0,0,0|1,0,1]=4 315 B9R0.47 CCCCC[C@@H](N)C(=O)O MCULE-6090735433 [2,0,0,0,0,0|1,0,1]=4 316 B9R0.47 CCCCC[C@H](N)C(=O)O MCULE-8108024359 [2,0,0,0,0,0|1,0,1]=4 317 B9R0.47 CCCCC[C@H](N)C(=O)O MCULE-9961773652 [2,0,0,0,0,0|1,0,1]=4 318 B9R0.47 CCNCCC(N)C(=O)O MCULE-8873123795 [2,0,0,0,0,0|1,0,1]=4 319 B9R0.47 NC(CCCCO)C(=O)O MCULE-7372730935 [2,0,0,0,0,0|1,0,1]=4 320 B9R0.47 NCCCCC(N)C(=O)N MCULE-5695768231 [2,0,0,0,0,0|1,0,1]=4 321 B9R0.47 NCCCCC(N)C(=O)N MCULE-8502146041 [2,0,0,0,0,0|1,0,1]=4 322 B9R0.47 NCCCCC(N)C(=O)O MCULE-1411873021 [2,0,0,0,0,0|0,0,1]=3 323 B9R0.47 NCCCCC(N)C(=O)O MCULE-1436032977 [2,0,0,0,0,0|0,0,1]=3 324 B9R0.47 NCCCCC(N)C(=O)O MCULE-5737537430 [2,0,0,0,0,0|0,0,1]=3 325 B9R0.47 NCCCCC(N)C(=O)O MCULE-6537319758 [2,0,0,0,0,0|0,0,1]=3 326 B9R0.47 NCCCCC(N)C(=O)O MCULE-9665753367 [2,0,0,0,0,0|0,0,1]=3 327 B9R0.47 NCCCC[C@@H](N)C(=O)O MCULE-2051883110 [2,0,0,0,0,0|0,0,1]=3 328 B9R0.47 NCCCC[C@@H](N)C(=O)O MCULE-2174845427 [2,0,0,0,0,0|0,0,1]=3 329 B9R0.47 NCCCC[C@@H](N)C(=O)O MCULE-7229907816 [2,0,0,0,0,0|0,0,1]=3 330 B9R0.47 NCCCC[C@@H](N)C(=O)O MCULE-7646209988 [2,0,0,0,0,0|0,0,1]=3 331 B9R0.47 NCCCC[C@H](N)C(=O)N MCULE-2490465776 [2,0,0,0,0,0|1,0,1]=4 332 B9R0.47 NCCCC[C@H](N)C(=O)N MCULE-5523101334 [2,0,0,0,0,0|1,0,1]=4 333 B9R0.47 NCCCC[C@H](N)C(=O)N MCULE-7682920289 [2,0,0,0,0,0|1,0,1]=4 334 B9R0.47 NCCCC[C@H](N)C(=O)N MCULE-9381942600 [2,0,0,0,0,0|1,0,1]=4 335 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-1814780282 [2,0,0,0,0,0|0,0,1]=3 336 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-2585671029 [2,0,0,0,0,0|0,0,1]=3 337 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-2735109468 [2,0,0,0,0,0|0,0,1]=3 338 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-3226089160 [2,0,0,0,0,0|0,0,1]=3 339 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-4736099943 [2,0,0,0,0,0|0,0,1]=3 340 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-5602916309 [2,0,0,0,0,0|0,0,1]=3 341 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-5669080418 [2,0,0,0,0,0|0,0,1]=3 342 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-5771120494 [2,0,0,0,0,0|0,0,1]=3 343 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-6467055628 [2,0,0,0,0,0|0,0,1]=3 344 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-7268734331 [2,0,0,0,0,0|0,0,1]=3 345 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-7702716758 [2,0,0,0,0,0|0,0,1]=3 346 B9R0.47 NCCCC[C@H]([NH3+])C(=O)O MCULE-1421201563 [2,0,0,0,0,0|0,0,2]=4 347 B9R0.47 NCCOCC(N)C(=O)O MCULE-7224841130 [2,0,0,0,0,0|1,0,1]=4 348 B9R0.47 NCCOCC(N)C(=O)O MCULE-7654083918 [2,0,0,0,0,0|1,0,1]=4 349 B9R0.47 NCCOC[C@H](N)C(=O)O MCULE-4415047402 [2,0,0,0,0,0|1,0,1]=4 350 B9R0.47 NCCOC[C@H](N)C(=O)O MCULE-4663780920 [2,0,0,0,0,0|1,0,1]=4 351 B9R0.47 NCCOC[C@H](N)C(=O)O MCULE-4696145098 [2,0,0,0,0,0|1,0,1]=4 352 B9R0.47 NCCOC[C@H](N)C(=O)O MCULE-9286897415 [2,0,0,0,0,0|1,0,1]=4 353 B9R0.47 NCCSCC(N)C(=O)O MCULE-5256853681 [2,0,0,0,0,0|1,0,1]=4 354 B9R0.47 NCCSCC(N)C(=O)O MCULE-7420723141 [2,0,0,0,0,0|1,0,1]=4 355 B9R0.47 NCCSCC(N)C(=O)O MCULE-9409306380 [2,0,0,0,0,0|1,0,1]=4 356 B9R0.47 NCCSC[C@H](N)C(=O)O MCULE-3159724083 [2,0,0,0,0,0|1,0,1]=4 357 B9R0.47 NCCSC[C@H](N)C(=O)O MCULE-4836746198 [2,0,0,0,0,0|1,0,1]=4 358 B9R0.47 NCCSC[C@H](N)C(=O)O MCULE-6032940560 [2,0,0,0,0,0|1,0,1]=4 359 B9R0.47 NCCSC[C@H](N)C(=O)O MCULE-6994785146 [2,0,0,0,0,0|1,0,1]=4 360 B9R0.47 NCC[Se]C[C@H](N)C(=O)O MCULE-1630938680 [2,0,0,0,0,0|1,0,1]=4 361 B9R0.47 N[C@@H](CCCCO)C(=O)O MCULE-1855458643 [2,0,0,0,0,0|1,0,1]=4 362 B9R0.47 N[C@@H](CCCCO)C(=O)O MCULE-3280637244 [2,0,0,0,0,0|1,0,1]=4 363 B9R0.47 N[C@@H](CCCNO)C(=O)O MCULE-2690192301 [2,0,0,0,0,0|1,0,0]=3 364 B9R0.47 N[C@@H](CCCNO)C(=O)O MCULE-8331389811 [2,0,0,0,0,0|1,0,0]=3 365 B9R0.47 N[C@@H](CCCNO)C(=O)O MCULE-9071251692 [2,0,0,0,0,0|1,0,0]=3 366 B9R0.47 N[C@@H](CCCNO)C(=O)O MCULE-9613387165 [2,0,0,0,0,0|1,0,0]=3 367 B9R0.47 [C@@H](N)(CCCCN)C(=O)O MCULE-2676284364 [2,0,0,0,0,0|0,0,1]=3 368 B9R0.47 [C@@H](N)(CCCCN)C(=O)O MCULE-3536027321 [2,0,0,0,0,0|0,0,1]=3 369 B9R0.47 [C@H](N)(CCNCC)C(=O)O MCULE-8327043663 [2,0,0,0,0,0|1,0,1]=4 370 B11R0.42 C=CCCCCCC(N)C(=O)O MCULE-1162188913 [1,1,0,0,0,0|2,0,0]=4 371 B11R0.42 C=CCCCCCC(N)C(=O)O MCULE-3131667346 [1,1,0,0,0,0|2,0,0]=4 372 B11R0.42 C=CCCCCCC(N)C(=O)O MCULE-4888632865 [1,1,0,0,0,0|2,0,0]=4 373 B11R0.42 C=CCCCCC[C@@H](N)C(=O)O MCULE-5391769158 [1,1,0,0,0,0|2,0,0]=4 374 B11R0.42 C=CCCCCC[C@@H](N)C(=O)O MCULE-5861402789 [1,1,0,0,0,0|2,0,0]=4 375 B11R0.42 C=CCCCCC[C@@H](N)C(=O)O MCULE-8081984411 [1,1,0,0,0,0|2,0,0]=4 376 B11R0.42 C=CCCCCC[C@@H](N)C(=O)O MCULE-8137198974 [1,1,0,0,0,0|2,0,0]=4 377 B11R0.42 C=CCCCCC[C@H](N)C(=O)O MCULE-1233544353 [1,1,0,0,0,0|2,0,0]=4 378 B11R0.42 C=CCCCCC[C@H](N)C(=O)O MCULE-3790089576 [1,1,0,0,0,0|2,0,0]=4 379 B11R0.42 C=CCCCCC[C@H](N)C(=O)O MCULE-8748986273 [1,1,0,0,0,0|2,0,0]=4 380 B11R0.42 C=CCCCCC[C@H](N)C(=O)O MCULE-9105977293 [1,1,0,0,0,0|2,0,0]=4 381 B11R0.42 N/N=C/NCCCC(N)C(=O)N MCULE-5390375108 [1,1,0,0,0,0|1,0,0]=3 382 B11R0.42 N/N=C/NCCC[C@@H](N)C(=O)N MCULE-1451777480 [1,1,0,0,0,0|1,0,0]=3 383 B11R0.42 NC(CCCCNC=O)C(=O)O MCULE-1951015462 [1,1,0,0,0,0|1,0,0]=3 384 B11R0.42 N[C@@H](CCCCNC=O)C(=O)O MCULE-4391601903 [1,1,0,0,0,0|1,0,0]=3 385 B11R0.42 N[C@@H](CCCCNC=O)C(=O)O MCULE-4927440935 [1,1,0,0,0,0|1,0,0]=3 386 B11R0.125 C=CCCCC[C@@](C)(N)C(=O)O MCULE-6510689748 [1,1,0,0,0,0|2,0,0]=4 387 B11R0.125 C=CCCCC[C@](C)(N)C(=O)O MCULE-8447084960 [1,1,0,0,0,0|2,0,0]=4 388 B11R0.150 NC(CCC(N)C(=O)O)C(=O)O MCULE-3879325501 [0,1,0,0,1,0|2,0,0]=4 389 B11R0.150 NC(CCC(N)C(=O)O)C(=O)O MCULE-8835673266 [0,1,0,0,1,0|2,0,0]=4 390 B11R0.150 N[C@@H](CC[C@@H](N)C(=O)O)C(=O)O MCULE-1244462847 [0,1,0,0,1,0|2,0,0]=4 391 B11R0.150 N[C@@H](CC[C@@H](N)C(=O)O)C(=O)O MCULE-1836756247 [0,1,0,0,1,0|2,0,0]=4 392 B11R0.150 N[C@@H](CC[C@H](N)C(=O)O)C(=O)O MCULE-5252239426 [0,1,0,0,1,0|2,0,0]=4 393 B11R0.150 N[C@@H](CC[C@H](N)C(=O)O)C(=O)O MCULE-7091962514 [0,1,0,0,1,0|2,0,0]=4 394 B11R0.150 N[C@H](CC[C@@H](N)C(=O)O)C(=O)O MCULE-7748162622 [0,1,0,0,1,0|2,0,0]=4 395 B13R0.101 COC(=O)C(N)CCCCNC(=O)C MCULE-6685329240 [0,1,0,0,0,1|2,0,0]=4 396 B13R0.101 COC(=O)C(N)CCCCNC(=O)C MCULE-9146351607 [0,1,0,0,0,1|2,0,0]=4 397 B13R0.101 COC(=O)[C@@H](N)CCCCNC(=O)C MCULE-1952085059 [0,1,0,0,0,1|2,0,0]=4 398 B13R0.101 COC(=O)[C@@H](N)CCCCNC(=O)C MCULE-2631706513 [0,1,0,0,0,1|2,0,0]=4 399 B13R0.101 COC(=O)[C@@H](N)CCCCNC(=O)C MCULE-6706973771 [0,1,0,0,0,1|2,0,0]=4 400 B13R0.101 COC(=O)[C@@H](N)CCCCNC(=O)C MCULE-6778302428 [0,1,0,0,0,1|2,0,0]=4 401 B13R0.204 C=CC(=O)NCCCC[C@H](N)C(=O)O MCULE-2461366013 [0,1,0,0,0,1|2,0,0]=4 402 B13R0.204 C=CC(=O)NCCCC[C@H](N)C(=O)O MCULE-8091041228 [0,1,0,0,0,1|2,0,0]=4 403 B13R0.204 CCC(=O)NCCCCC(N)C(=O)O MCULE-1055431872 [0,1,0,0,0,1|2,0,0]=4 404 B13R0.204 CCC(=O)NCCCCC(N)C(=O)O MCULE-9001314161 [0,1,0,0,0,1|2,0,0]=4 405 B13R0.204 CCC(=O)NCCCC[C@H](N)C(=O)O MCULE-3127074319 [0,1,0,0,0,1|2,0,0]=4 406 B13R0.204 N[C@@H](CCCCNC(=O)CO)C(=O)O MCULE-6232083879 [0,1,0,0,0,1|2,0,0]=4 407 B13R0.1406 C/C(=N/CCSC[C@](C)(N)C(=O)O)/N MCULE-4372790310 [0,1,0,0,0,1|1,0,1]=4 408 B13R0.1406 C/C(=N/CCSC[C@](C)(N)C(=O)O)/N MCULE-7941504198 [0,1,0,0,0,1|1,0,1]=4 409 B13R0.261 CCOC(=O)C(N)CCCNC(=N)N MCULE-3597819106 [0,2,0,0,0,0|0,0,0]=2 410 B13R0.261 CCOC(=O)C(N)CCCNC(=N)N MCULE-4640909601 [0,2,0,0,0,0|0,0,0]=2 411 B13R0.261 CCOC(=O)C(N)CCCNC(=N)N MCULE-6928747390 [0,2,0,0,0,0|0,0,0]=2 412 B13R0.261 CCOC(=O)[C@@H](N)CCCNC(=N)N MCULE-3515414314 [0,2,0,0,0,0|0,0,0]=2 413 B13R0.261 CCOC(=O)[C@@H](N)CCCNC(=N)N MCULE-6624527926 [0,2,0,0,0,0|0,0,0]=2 414 B13R0.261 CCOC(=O)[C@@H](N)CCCNC(=N)N MCULE-7294596356 [0,2,0,0,0,0|0,0,0]=2 415 B13R0.261 CCOC(=O)[C@@H](N)CCCNC(=N)N MCULE-9921754152 [0,2,0,0,0,0|0,0,0]=2 416 B13R0.91 C=CCC(=N)NCCC[C@H](N)C(=O)O MCULE-1028443766 [0,2,0,0,0,0|1,0,0]=3 417 B13R0.91 C=CCC(=N)NCCC[C@H](N)C(=O)O MCULE-4666168187 [0,2,0,0,0,0|1,0,0]=3 418 B13R0.91 CCCC(=N)NCCC[C@H](N)C(=O)O MCULE-3925424238 [0,2,0,0,0,0|1,0,0]=3 419 B13R0.91 CCCC(=N)NCCC[C@H](N)C(=O)O MCULE-5887869461 [0,2,0,0,0,0|1,0,0]=3 420 B13R0.1121 C/N=C(\NC)/NCCC[C@H](N)C(=O)O MCULE-2043912759 [0,2,0,0,0,0|0,0,0]=2 421 B13R0.1121 CNC(=NCCCC(N)C(=O)O)NC MCULE-1257057066 [0,2,0,0,0,0|0,0,2]=4 422 B13R0.1121 CNC(=NCCC[C@@H](N)C(=O)O)NC MCULE-3053842404 [0,2,0,0,0,0|0,0,2]=4 423 B13R0.1121 CNC(=NCCC[C@H](N)C(=O)O)NC MCULE-4273417067 [0,2,0,0,0,0|0,0,2]=4 424 B13R0.329 [N-]=[N+]=N[C@@H](CCCNC(=O)N)C(=O)O MCULE-8828805511 [0,2,0,0,0,0|1,0,1]=4 425 B11R1.35 NC(CC1=CNC=N1)C(=O)O MCULE-2923626784 [1,0,0,1,0,0|0,0,2]=4 426 B11R1.35 NC(CC1=CNC=N1)C(=O)O MCULE-6787534916 [1,0,0,1,0,0|0,0,2]=4 427 B11R1.35 NC(CC1=CNC=N1)C(=O)O MCULE-7525765487 [1,0,0,1,0,0|0,0,2]=4 428 B11R1.35 NC(CC1=NNC=N1)C(=O)O MCULE-8826640392 [1,0,0,1,0,0|1,0,1]=4 429 B11R1.35 NC(CC1CCNC1)C(=O)O MCULE-9242342673 [1,0,0,1,0,0|1,0,1]=4 430 B11R1.35 N[C@@H](CC1=CNC=N1)C(=O)O MCULE-1155454458 [1,0,0,1,0,0|0,0,2]=4 431 B11R1.35 N[C@@H](CC1=CNC=N1)C(=O)O MCULE-4083000888 [1,0,0,1,0,0|0,0,2]=4 432 B11R1.35 N[C@@H](CC1=CNC=N1)C(=O)O MCULE-5599456266 [1,0,0,1,0,0|0,0,2]=4 433 B11R1.35 N[C@@H](CC1=CNC=N1)C(=O)O MCULE-7458236044 [1,0,0,1,0,0|0,0,2]=4 434 B11R1.35 N[C@@H](CC1=CNC=N1)C(=O)O MCULE-9282849595 [1,0,0,1,0,0|0,0,2]=4 435 B11R1.35 N[C@@H](CC1=CNC=N1)C(=O)O MCULE-9753735240 [1,0,0,1,0,0|0,0,2]=4 436 B11R1.35 N[C@@H](CC1CCNC1)C(=O)O MCULE-9017826833 [1,0,0,1,0,0|1,0,1]=4 437 B11R1.35 N[C@H](CC1=CNC=N1)C(=O)O MCULE-2877373266 [1,0,0,1,0,0|0,0,2]=4 438 B11R1.35 N[C@H](CC1=CNC=N1)C(=O)O MCULE-4994851602 [1,0,0,1,0,0|0,0,2]=4 439 B11R1.35 N[C@H](CC1=CNC=N1)C(=O)O MCULE-9609124805 [1,0,0,1,0,0|0,0,2]=4 440 B11R1.35 N[C@H](CC1=NNC=N1)C(=O)O MCULE-2637030444 [1,0,0,1,0,0|1,0,1]=4 441 B11R1.35 N[C@H](CC1CCNC1)C(=O)O MCULE-1596977678 [1,0,0,1,0,0|1,0,1]=4 442 B11R1.36 NC(C(=O)O)C1CC=CCC1 MCULE-8998480466 [1,0,0,1,0,0|2,0,0]=4 443 B11R1.36 NC(C(=O)O)C1CCCCN1 MCULE-4787612648 [1,0,0,1,0,0|1,0,1]=4 444 B11R1.36 NC(C(=O)O)C1CCCCN1 MCULE-7916436523 [1,0,0,1,0,0|1,0,1]=4 445 B11R1.36 N[C@H](C(=O)O)C1CCNCC1 MCULE-3998200055 [1,0,0,1,0,0|1,0,1]=4 446 B11R1.497 O=C1CCCCC(N1)C(=O)O MCULE-3462654668 [1,0,0,1,0,0|2,0,0]=4 447 B11R1.520 CC1(CCCNC1=O)C(=O)O MCULE-2127943120 [1,0,0,1,0,0|2,0,0]=4 448 B11R1.737 NC1(CCCNCC1)C(=O)O MCULE-7153988486 [1,0,0,1,0,0|1,0,1]=4 449 B11R1.157 O=C(O)CC1CCCC(=O)N1 MCULE-7470301343 [1,0,0,1,0,0|2,0,0]=4 450 B11R1.157 O=C(O)CC1CCNC(=O)C1 MCULE-3498688720 [1,0,0,1,0,0|2,0,0]=4 451 B11R1.157 O=C(O)CC1CCNC(=O)C1 MCULE-8598228573 [1,0,0,1,0,0|2,0,0]=4 452 B11R1.178 CC(=O)N1CCCC1C(=O)O MCULE-1813411528 [1,0,0,1,0,0|2,0,0]=4 453 B11R1.178 CC(=O)N1CCCC1C(=O)O MCULE-9022800854 [1,0,0,1,0,0|2,0,0]=4 454 B11R1.178 CC(=O)N1CCC[C@@H]1C(=O)O MCULE-1405603447 [1,0,0,1,0,0|2,0,0]=4 455 B11R1.178 CC(=O)N1CCC[C@@H]1C(=O)O MCULE-9216589773 [1,0,0,1,0,0|2,0,0]=4 456 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)O MCULE-1169221802 [1,0,0,1,0,0|2,0,0]=4 457 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)O MCULE-9915147289 [1,0,0,1,0,0|2,0,0]=4 458 B11R1.178 N=C(N)N1CCCC1C(=O)O MCULE-4919079296 [1,0,0,1,0,0|0,0,0]=2 459 B11R1.178 NC(=O)N1CCCC1C(=O)O MCULE-2099814008 [1,0,0,1,0,0|1,0,0]=3 460 B11R1.178 NC(=O)N1CCC[C@H]1C(=O)O MCULE-1581234645 [1,0,0,1,0,0|1,0,0]=3 461 B11R1.178 NC(=O)N1CCC[C@H]1C(=O)O MCULE-2695707693 [1,0,0,1,0,0|1,0,0]=3 462 B11R1.178 NC(=S)N1CCCC1C(=O)O MCULE-7138642484 [1,0,0,1,0,0|1,0,0]=3 463 B11R1.178 O=C(O)[C@@H]1CCCN1C(=O)O MCULE-1970767326 [1,0,0,1,0,0|2,0,0]=4 464 B11R1.175 NC(=O)C1CCC(C1)C(=O)O MCULE-6317737981 [0,0,0,1,1,0|2,0,0]=4 465 B11R1.175 NC(=O)[C@@H]1CC[C@@H](O1)C(=O)O MCULE-9051441174 [0,0,0,1,1,0|2,0,0]=4 466 B11R1.175 O=C(O)[C@@H]1CC[C@@H](N1)C(=O)O MCULE-3826760511 [0,0,0,1,1,0|2,0,0]=4 467 B11R1.314 CC(C(=O)O)C1CCC(=O)N1 MCULE-4842292622 [0,0,0,1,1,0|2,0,0]=4 468 B11R1.704 C1(CC1C(=O)O)C(N)C(=O)O MCULE-4575165023 [0,0,0,1,1,0|2,0,0]=4 469 B11R1.704 N[C@H](C(=O)O)[C@H]1C[C@H]1C(=O)O MCULE-2251690284 [0,0,0,1,1,0|2,0,0]=4 470 B11R1.704 [C@@H]1(C[C@@H]1C(=O)O)[C@H](N)C(=O)O MCULE-9452045165 [0,0,0,1,1,0|2,0,0]=4 471 B11R1.704 [C@H]1(C[C@@H]1C(=O)O)[C@H](N)C(=O)O MCULE-8026317060 [0,0,0,1,1,0|2,0,0]=4 472 B13R1.587 NC(=O)CN1CCCC(C1)C(=O)O MCULE-3824524610 [0,0,0,1,0,1|2,0,0]=4 473 B13R1.69 CCC1CC(OC1=O)CSC(=N)N MCULE-4725681998 [0,1,0,1,0,0|2,0,0]=4 474 B13R1.69 CCC1CC(OC1=O)CSC(=N)N MCULE-7843111042 [0,1,0,1,0,0|2,0,0]=4 475 B13R1.585 N=C(N)N[C@H]1CC[C@@H](CC1)C(=O)O MCULE-7259110805 [0,1,0,1,0,0|1,0,0]=3 476 B13R1.585 NC(=O)NC1CCC(CC1)C(=O)O MCULE-3801526350 [0,1,0,1,0,0|2,0,0]=4 477 B9R0.7 C(N)(CCC(=O)[O-])C(=O)O MCULE-5359010340 [0,0,0,0,2,0|2,0,0]=4 478 B9R0.7 CC(CNC(=O)N)C(=O)O MCULE-6367938073 [0,0,0,0,2,0|2,0,0]=4 479 B9R0.7 N=C(N)NCC(N)C(=O)O MCULE-1177262947 [0,0,0,0,2,0|0,0,0]=2 480 B9R0.7 N=C(N)NCC(N)C(=O)O MCULE-2474644851 [0,0,0,0,2,0|0,0,0]=2 481 B9R0.7 N=C(N)NCC(N)C(=O)O MCULE-5671557476 [0,0,0,0,2,0|0,0,0]=2 482 B9R0.7 N=C(N)NC[C@H](N)C(=O)O MCULE-3050097417 [0,0,0,0,2,0|0,0,0]=2 483 B9R0.7 N=C(N)NC[C@H](N)C(=O)O MCULE-3499032906 [0,0,0,0,2,0|0,0,0]=2 484 B9R0.7 N=C(N)NC[C@H](N)C(=O)O MCULE-4835798272 [0,0,0,0,2,0|0,0,0]=2 485 B9R0.7 N=C(N)NC[C@H](N)C(=O)O MCULE-8355456866 [0,0,0,0,2,0|0,0,0]=2 486 B9R0.7 N=C(N)NC[C@H](N)C(=O)O MCULE-8635327390 [0,0,0,0,2,0|0,0,0]=2 487 B9R0.7 NC(=O)CCC(N)C(=O)O MCULE-1418655814 [0,0,0,0,2,0|1,0,0]=3 488 B9R0.7 NC(=O)CC[C@@H](N)C(=O)N MCULE-3069717045 [0,0,0,0,2,0|2,0,0]=4 489 B9R0.7 NC(=O)CC[C@@H](N)C(=O)N MCULE-3964283106 [0,0,0,0,2,0|2,0,0]=4 490 B9R0.7 NC(=O)CC[C@@H](N)C(=O)N MCULE-8749190773 [0,0,0,0,2,0|2,0,0]=4 491 B9R0.7 NC(=O)CC[C@@H](N)C(=O)N MCULE-8900435477 [0,0,0,0,2,0|2,0,0]=4 492 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O MCULE-7870225738 [0,0,0,0,2,0|1,0,0]=3 493 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O MCULE-9711806580 [0,0,0,0,2,0|1,0,0]=3 494 B9R0.7 NC(=O)CC[C@H](N)C(=O)N MCULE-2293558876 [0,0,0,0,2,0|2,0,0]=4 495 B9R0.7 NC(=O)CC[C@H](N)C(=O)N MCULE-5457304555 [0,0,0,0,2,0|2,0,0]=4 496 B9R0.7 NC(=O)CC[C@H](N)C(=O)N MCULE-7482897734 [0,0,0,0,2,0|2,0,0]=4 497 B9R0.7 NC(=O)CC[C@H](N)C(=O)N MCULE-9074108708 [0,0,0,0,2,0|2,0,0]=4 498 B9R0.7 NC(=O)CC[C@H](N)C(=O)O MCULE-7234937947 [0,0,0,0,2,0|1,0,0]=3 499 B9R0.7 NC(=O)CC[C@H](N)C(=O)O MCULE-8718820108 [0,0,0,0,2,0|1,0,0]=3 500 B9R0.7 NC(=O)NCC(N)C(=O)O MCULE-4609961006 [0,0,0,0,2,0|1,0,0]=3 501 B9R0.7 NC(=O)NC[C@@H](N)C(=O)O MCULE-7506737023 [0,0,0,0,2,0|1,0,0]=3 502 B9R0.7 NC(=O)NC[C@H](N)C(=O)O MCULE-3123973606 [0,0,0,0,2,0|1,0,0]=3 503 B9R0.7 NC(=O)SCC(N)C(=O)O MCULE-7865241343 [0,0,0,0,2,0|2,0,0]=4 504 B9R0.7 NC(=O)SC[C@H](N)C(=O)O MCULE-6647567669 [0,0,0,0,2,0|2,0,0]=4 505 B9R0.7 NC(=O)SC[C@H](N)C(=O)O MCULE-7995535877 [0,0,0,0,2,0|2,0,0]=4 506 B9R0.7 NC(CCC(=O)O)C(=O)O MCULE-4203507491 [0,0,0,0,2,0|2,0,0]=4 507 B9R0.7 NC(CCC(=O)O)C(=O)O MCULE-4600207704 [0,0,0,0,2,0|2,0,0]=4 508 B9R0.7 NC(CCC(=O)O)C(=O)O MCULE-8107432729 [0,0,0,0,2,0|2,0,0]=4 509 B9R0.7 NC(CCC(=O)[O-])C(=O)O MCULE-5012956158 [0,0,0,0,2,0|2,0,0]=4 510 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-6077524166 [0,0,0,0,2,0|2,0,0]=4 511 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-7201150413 [0,0,0,0,2,0|2,0,0]=4 512 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-7328895736 [0,0,0,0,2,0|2,0,0]=4 513 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-7782530856 [0,0,0,0,2,0|2,0,0]=4 514 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-9447720868 [0,0,0,0,2,0|2,0,0]=4 515 B9R0.7 N[C@@H](CCC(=O)[O-])C(=O)O MCULE-2315425063 [0,0,0,0,2,0|2,0,0]=4 516 B9R0.7 N[C@@H](CCC(=O)[O-])C(=O)O MCULE-4367391999 [0,0,0,0,2,0|2,0,0]=4 517 B9R0.7 N[C@H](CCC(=O)O)C(=O)O MCULE-5884691541 [0,0,0,0,2,0|2,0,0]=4 518 B9R0.7 N[C@H](CCC(=O)O)C(=O)O MCULE-6647836957 [0,0,0,0,2,0|2,0,0]=4 519 B9R0.7 [C@H](N)(CCC(=O)O)C(=O)O MCULE-8526087521 [0,0,0,0,2,0|2,0,0]=4 520 B11R0.30 CC(=O)NCCCCCC(=O)O MCULE-2324288602 [1,0,0,0,0,1|2,0,0]=4 521 B11R0.30 N=C(N)NCCCCCC(=O)O MCULE-3719990664 [1,0,0,0,0,1|0,0,0]=2 522 B11R0.30 N=C(N)NCCCCCC(=O)O MCULE-6681139380 [1,0,0,0,0,1|0,0,0]=2 523 B11R0.30 N=C(N)NCCCCNC(=N)N MCULE-4666439610 [1,0,0,0,0,1|2,0,0]=4 524 B11R0.30 N=C(N)NCCCCNC(=N)N MCULE-5100782584 [1,0,0,0,0,1|2,0,0]=4 525 B11R0.30 NC(=O)NCCCCCC(=O)O MCULE-5723327422 [1,0,0,0,0,1|1,0,0]=3 526 B11R0.30 O=C(O)CCCCNCC(=O)O MCULE-2095125616 [1,0,0,0,0,1|2,0,0]=4 527 B11R0.30 O=C(O)CCCCNCC(=O)O MCULE-2375984351 [1,0,0,0,0,1|2,0,0]=4 528 B13R0.180 CC(=N)NCCSCC[C@H](N)C(=O)O MCULE-1504061521 [0,0,0,0,0,2|1,0,0]=3 529 B13R0.180 CC(=N)NCCSCC[C@H](N)C(=O)O MCULE-2897871968 [0,0,0,0,0,2|1,0,0]=3 530 B13R0.180 CC(=N)NCCSCC[C@H](N)C(=O)O MCULE-8651286367 [0,0,0,0,0,2|1,0,0]=3 531 B13R0.180 CC(=N)NCCSCC[C@H](N)C(=O)O MCULE-9288179859 [0,0,0,0,0,2|1,0,0]=3 532 B13R0.180 CC(=O)NCCSCCC(N)C(=O)O MCULE-8007592929 [0,0,0,0,0,2|2,0,0]=4 533 B13R0.180 N[C@@H](CCCCNCC(=O)O)C(=O)O MCULE-2990158071 [0,0,0,0,0,2|2,0,0]=4 534 B13R0.180 N[C@@H](CCCCNCC(=O)O)C(=O)O MCULE-8044893771 [0,0,0,0,0,2|2,0,0]=4