0 B11R0.29 CC(=CCSC[C@H](N)C(=O)O)C MCULE-5799863579 [0,0,0,0,0,0|3,0,0]=3 1 B11R0.29 CC(=N)NCCC[C@H](N)C(=O)O MCULE-5358658112 [0,0,0,0,0,0|0,0,0]=0 2 B11R0.29 CC(=N)NCCC[C@H](N)C(=O)O MCULE-5606810596 [0,0,0,0,0,0|0,0,0]=0 3 B11R0.29 CC(=N)NCCC[C@H](N)C(=O)O MCULE-7980342928 [0,0,0,0,0,0|0,0,0]=0 4 B11R0.29 CC(=N)NCCC[C@H](N)C(=O)O MCULE-8195408633 [0,0,0,0,0,0|0,0,0]=0 5 B11R0.29 CC(=N)NCCC[C@H](N)C(=O)O MCULE-8216004356 [0,0,0,0,0,0|0,0,0]=0 6 B11R0.29 CC(=O)NCCCC(N)C(=O)O MCULE-5671867593 [0,0,0,0,0,0|1,0,0]=1 7 B11R0.29 CC(=O)NCCCN(O)C(=O)C MCULE-1526287189 [0,0,0,0,0,0|4,0,0]=4 8 B11R0.29 CC(=O)NCCC[C@H](N)C(=O)O MCULE-1987849167 [0,0,0,0,0,0|1,0,0]=1 9 B11R0.29 CC(=O)NCCC[C@H](N)C(=O)O MCULE-5655137268 [0,0,0,0,0,0|1,0,0]=1 10 B11R0.29 CC(=O)NCSCC(N)C(=O)N MCULE-1098301355 [0,0,0,0,0,0|3,0,0]=3 11 B11R0.29 CC(=O)NCSCC(N)C(=O)N MCULE-3518739302 [0,0,0,0,0,0|3,0,0]=3 12 B11R0.29 CC(=O)NCSCC(N)C(=O)O MCULE-1709640374 [0,0,0,0,0,0|2,0,0]=2 13 B11R0.29 CC(=O)NCSCC(N)C(=O)O MCULE-3550759506 [0,0,0,0,0,0|2,0,0]=2 14 B11R0.29 CC(=O)NCSC[C@@H](N)C(=O)O MCULE-6373295824 [0,0,0,0,0,0|2,0,0]=2 15 B11R0.29 CC(=O)NCSC[C@@H](N)C(=O)O MCULE-7013130042 [0,0,0,0,0,0|2,0,0]=2 16 B11R0.29 CC(=O)NCSC[C@@H](N)C(=O)O MCULE-7188611038 [0,0,0,0,0,0|2,0,0]=2 17 B11R0.29 CC(=O)NCSC[C@@H](N)C(=O)O MCULE-8606728410 [0,0,0,0,0,0|2,0,0]=2 18 B11R0.29 CC(=O)NCSC[C@H](N)C(=O)N MCULE-1846985795 [0,0,0,0,0,0|3,0,0]=3 19 B11R0.29 CC(=O)NCSC[C@H](N)C(=O)N MCULE-2934599717 [0,0,0,0,0,0|3,0,0]=3 20 B11R0.29 CC(=O)NCSC[C@H](N)C(=O)N MCULE-3474712900 [0,0,0,0,0,0|3,0,0]=3 21 B11R0.29 CC(=O)NCSC[C@H](N)C(=O)N MCULE-7235564115 [0,0,0,0,0,0|3,0,0]=3 22 B11R0.29 CC(=O)NCSC[C@H](N)C(=O)O MCULE-2695923449 [0,0,0,0,0,0|2,0,0]=2 23 B11R0.29 CC(C)CCSC[C@@H](N)C(=O)O MCULE-5853886859 [0,0,0,0,0,0|3,0,1]=4 24 B11R0.29 CC(C)CCSC[C@H](N)C(=O)O MCULE-3979333384 [0,0,0,0,0,0|3,0,1]=4 25 B11R0.29 CC(C)CCSC[C@H](N)C(=O)O MCULE-8382723630 [0,0,0,0,0,0|3,0,1]=4 26 B11R0.29 CC(C)OCCCC(N)C(=O)O MCULE-9893578582 [0,0,0,0,0,0|2,0,1]=3 27 B11R0.29 CN(C)CCCCC(N)C(=O)O MCULE-6147962384 [0,0,0,0,0,0|3,0,0]=3 28 B11R0.29 CN(C)CCCCC(N)C(=O)O MCULE-7967152551 [0,0,0,0,0,0|3,0,0]=3 29 B11R0.29 CN(C)CCCC[C@H](N)C(=O)O MCULE-3135800759 [0,0,0,0,0,0|3,0,0]=3 30 B11R0.29 CN(C)CCCC[C@H](N)C(=O)O MCULE-4133814403 [0,0,0,0,0,0|3,0,0]=3 31 B11R0.29 CN(C)CCCC[C@H](N)C(=O)O MCULE-7654882207 [0,0,0,0,0,0|3,0,0]=3 32 B11R0.29 CN(C)CCCC[C@H](N)C(=O)O MCULE-8592172298 [0,0,0,0,0,0|3,0,0]=3 33 B11R0.29 N=C(N)NCCCC(N)C(=O)O MCULE-3125760737 [0,0,0,0,0,0|1,0,0]=1 34 B11R0.29 N=C(N)NCCCC(N)C(=O)O MCULE-5122302808 [0,0,0,0,0,0|1,0,0]=1 35 B11R0.29 N=C(N)NCCCC(N)C(=O)O MCULE-6153263942 [0,0,0,0,0,0|1,0,0]=1 36 B11R0.29 N=C(N)NCCCC(N)C(=O)O MCULE-9072241723 [0,0,0,0,0,0|1,0,0]=1 37 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)N MCULE-2053250402 [0,0,0,0,0,0|2,0,0]=2 38 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)N MCULE-4188771186 [0,0,0,0,0,0|2,0,0]=2 39 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)N MCULE-8070047581 [0,0,0,0,0,0|2,0,0]=2 40 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)N MCULE-8751936684 [0,0,0,0,0,0|2,0,0]=2 41 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)O MCULE-1262352579 [0,0,0,0,0,0|1,0,0]=1 42 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)O MCULE-3838347198 [0,0,0,0,0,0|1,0,0]=1 43 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)O MCULE-8676148534 [0,0,0,0,0,0|1,0,0]=1 44 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)O MCULE-9872369459 [0,0,0,0,0,0|1,0,0]=1 45 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)N MCULE-2060853069 [0,0,0,0,0,0|2,0,0]=2 46 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)N MCULE-3460042117 [0,0,0,0,0,0|2,0,0]=2 47 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)N MCULE-5810103294 [0,0,0,0,0,0|2,0,0]=2 48 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)N MCULE-7789670505 [0,0,0,0,0,0|2,0,0]=2 49 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O MCULE-1290049418 [0,0,0,0,0,0|1,0,0]=1 50 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O MCULE-4214642097 [0,0,0,0,0,0|1,0,0]=1 51 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O MCULE-5108123240 [0,0,0,0,0,0|1,0,0]=1 52 B11R0.29 N=C(N)NCCC[C@H](O)C(=O)O MCULE-5530430751 [0,0,0,0,0,0|2,0,0]=2 53 B11R0.29 N=C(N)NOCCC(=O)C(=O)O MCULE-3913893109 [0,0,0,0,0,0|3,0,1]=4 54 B11R0.29 N=C(N)NOCCC(N)C(=O)O MCULE-4434498846 [0,0,0,0,0,0|2,0,0]=2 55 B11R0.29 N=C(N)NOCCC(N)C(=O)O MCULE-8379182275 [0,0,0,0,0,0|2,0,0]=2 56 B11R0.29 N=C(N)NOCC[C@H](N)C(=O)O MCULE-4133667223 [0,0,0,0,0,0|2,0,0]=2 57 B11R0.29 N=C(N)NOCC[C@H](N)C(=O)O MCULE-5293692556 [0,0,0,0,0,0|2,0,0]=2 58 B11R0.29 N=C(N)NOCC[C@H](N)C(=O)O MCULE-5682580831 [0,0,0,0,0,0|2,0,0]=2 59 B11R0.29 N=C(N)NOCC[C@H](N)C(=O)O MCULE-8698650428 [0,0,0,0,0,0|2,0,0]=2 60 B11R0.29 N=C(N)SCCC[C@H](N)C(=O)O MCULE-4923497703 [0,0,0,0,0,0|2,0,0]=2 61 B11R0.29 N=C(N)SCCC[C@H](N)C(=O)O MCULE-6690848404 [0,0,0,0,0,0|2,0,0]=2 62 B11R0.29 N=C(N)SCCC[C@H](N)C(=O)O MCULE-8512874772 [0,0,0,0,0,0|2,0,0]=2 63 B11R0.29 NC(=NCCC[C@H](N)C(=O)O)N MCULE-6159466147 [0,0,0,0,0,0|1,0,2]=3 64 B11R0.29 NC(=O)C(N)CCCN=C(N)N MCULE-5320558657 [0,0,0,0,0,0|2,0,2]=4 65 B11R0.29 NC(=O)C(N)CCCN=C(N)N MCULE-9567284529 [0,0,0,0,0,0|2,0,2]=4 66 B11R0.29 NC(=O)NCCCC(N)C(=O)O MCULE-3107139098 [0,0,0,0,0,0|1,0,1]=2 67 B11R0.29 NC(=O)NCCCC(N)C(=O)O MCULE-9077514633 [0,0,0,0,0,0|1,0,1]=2 68 B11R0.29 NC(=O)NCCCC(N)C(=O)O MCULE-9892421890 [0,0,0,0,0,0|1,0,1]=2 69 B11R0.29 NC(=O)NCCCC(N)C(=O)S MCULE-6427757419 [0,0,0,0,0,0|1,1,1]=3 70 B11R0.29 NC(=O)NCCC[C@@H](N)C(=O)O MCULE-7003128917 [0,0,0,0,0,0|1,0,1]=2 71 B11R0.29 NC(=O)NCCC[C@@H](N)C(=O)O MCULE-9135693560 [0,0,0,0,0,0|1,0,1]=2 72 B11R0.29 NC(=O)NCCC[C@H](N)C(=O)O MCULE-2081339988 [0,0,0,0,0,0|1,0,1]=2 73 B11R0.29 NC(=O)NCCC[C@H](N)C(=O)O MCULE-5380647071 [0,0,0,0,0,0|1,0,1]=2 74 B11R0.29 NC(=O)NCCC[C@H](N)C(=O)O MCULE-5746772887 [0,0,0,0,0,0|1,0,1]=2 75 B11R0.29 NC(=S)NCCC[C@H](N)C(=O)O MCULE-9458174752 [0,0,0,0,0,0|1,0,1]=2 76 B11R0.29 NC(CCCCC(=O)O)C(=O)O MCULE-2486712857 [0,0,0,0,0,0|3,0,0]=3 77 B11R0.29 NC(CSCCC(=O)O)C(=O)O MCULE-1817232859 [0,0,0,0,0,0|4,0,0]=4 78 B11R0.29 N[C@@H](CCCCB(O)O)C(=O)O MCULE-3187192569 [0,0,0,0,0,0|4,0,0]=4 79 B11R0.29 N[C@@H](CCCCB(O)O)C(=O)O MCULE-7635800556 [0,0,0,0,0,0|4,0,0]=4 80 B11R0.29 N[C@@H](CCCCB(O)O)C(=O)O MCULE-7716159403 [0,0,0,0,0,0|4,0,0]=4 81 B11R0.29 N[C@@H](CCCCB(O)O)C(=O)O MCULE-8309654000 [0,0,0,0,0,0|4,0,0]=4 82 B11R0.29 N[C@@H](CCCCC(=O)O)C(=O)O MCULE-3457014875 [0,0,0,0,0,0|3,0,0]=3 83 B11R0.29 N[C@@H](CCCCC(=O)O)C(=O)O MCULE-4557682979 [0,0,0,0,0,0|3,0,0]=3 84 B11R0.29 N[C@@H](CSCCC(=O)O)C(=O)O MCULE-2469874774 [0,0,0,0,0,0|4,0,0]=4 85 B11R0.29 N[C@@H](CSCCC(=O)O)C(=O)O MCULE-8976065741 [0,0,0,0,0,0|4,0,0]=4 86 B11R0.29 N[C@H](CCCCC(=O)O)C(=O)O MCULE-7148013181 [0,0,0,0,0,0|3,0,0]=3 87 B11R0.29 N[C@H](CCCCC(=O)O)C(=O)O MCULE-8965199592 [0,0,0,0,0,0|3,0,0]=3 88 B11R0.29 N[C@H](CSCCC(=O)O)C(=O)O MCULE-5217293992 [0,0,0,0,0,0|4,0,0]=4 89 B11R0.29 [C@H](N)(CCCNC(=N)N)C(=O)O MCULE-3794564775 [0,0,0,0,0,0|1,0,0]=1 90 B11R0.29 [C@H](N)(CSCNC(=O)C)C(=O)O MCULE-5543687296 [0,0,0,0,0,0|2,0,0]=2 91 B11R0.29 [C@H](N)(CSCNC(=O)C)C(=O)O MCULE-9668621656 [0,0,0,0,0,0|2,0,0]=2 92 B11R0.29 [C@H]([NH3+])(CSCNC(=O)C)C(=O)O MCULE-9323832704 [0,0,0,0,0,0|2,0,1]=3 93 B10R0.55 NC(=O)NCCC[C@H](N)CO MCULE-3843882509 [1,0,0,0,0,0|1,0,2]=4 94 B10R0.55 NC(=O)NCCC[C@H](N)CO MCULE-6658263929 [1,0,0,0,0,0|1,0,2]=4 95 B10R0.75 C=CCCCCC(N)C(=O)O MCULE-9003674294 [1,0,0,0,0,0|1,0,1]=3 96 B10R0.75 C=CCCCC[C@@H](N)C(=O)O MCULE-5424595854 [1,0,0,0,0,0|1,0,1]=3 97 B10R0.75 C=CCCCC[C@@H](N)C(=O)O MCULE-7894205841 [1,0,0,0,0,0|1,0,1]=3 98 B10R0.75 C=CCCCC[C@H](N)C(=O)O MCULE-6386840550 [1,0,0,0,0,0|1,0,1]=3 99 B10R0.75 C=CCCCC[C@H](N)C(=O)O MCULE-8206632491 [1,0,0,0,0,0|1,0,1]=3 100 B10R0.75 CCCCCCC(Br)C(=O)O MCULE-3532642872 [1,0,0,0,0,0|2,0,1]=4 101 B10R0.75 CCCCCCC(C)C(=O)O MCULE-6664640382 [1,0,0,0,0,0|2,0,1]=4 102 B10R0.75 CCCCCCC(F)C(=O)O MCULE-3865739259 [1,0,0,0,0,0|2,0,1]=4 103 B10R0.75 CCCCCCC(N)C(=O)O MCULE-2527731470 [1,0,0,0,0,0|1,0,1]=3 104 B10R0.75 CCCCCCC(N)C(=O)O MCULE-5498377990 [1,0,0,0,0,0|1,0,1]=3 105 B10R0.75 CCCCCCC(O)C(=O)O MCULE-1679305682 [1,0,0,0,0,0|2,0,1]=4 106 B10R0.75 CCCCCC[C@@H](N)C(=O)O MCULE-9163680563 [1,0,0,0,0,0|1,0,1]=3 107 B10R0.75 CCCCCC[C@@H](N)C(=O)O MCULE-9959237270 [1,0,0,0,0,0|1,0,1]=3 108 B10R0.75 CCCCCC[C@H](N)C(=O)O MCULE-6660531044 [1,0,0,0,0,0|1,0,1]=3 109 B10R0.75 CCCCCC[C@H](N)C(=O)O MCULE-7151037911 [1,0,0,0,0,0|1,0,1]=3 110 B10R0.75 CCCCSC[C@@H](N)C(=O)O MCULE-8737283640 [1,0,0,0,0,0|2,0,1]=4 111 B10R0.75 CCCCSC[C@H](N)C(=O)O MCULE-5383064231 [1,0,0,0,0,0|2,0,1]=4 112 B10R0.75 CNCCCCC(N)C(=O)O MCULE-5703952072 [1,0,0,0,0,0|2,0,0]=3 113 B10R0.75 CNCCCCC(N)C(=O)O MCULE-8267439974 [1,0,0,0,0,0|2,0,0]=3 114 B10R0.75 CNCCCC[C@H](N)C(=O)O MCULE-4130643324 [1,0,0,0,0,0|2,0,0]=3 115 B10R0.75 CNCCCC[C@H](N)C(=O)O MCULE-5394599260 [1,0,0,0,0,0|2,0,0]=3 116 B10R0.75 CNCCCC[C@H](N)C(=O)O MCULE-6328038825 [1,0,0,0,0,0|2,0,0]=3 117 B10R0.75 CNCCCC[C@H](N)C(=O)O MCULE-6736060504 [1,0,0,0,0,0|2,0,0]=3 118 B10R0.75 COCCSCC(N)C(=O)O MCULE-1808987613 [1,0,0,0,0,0|3,0,0]=4 119 B10R0.75 NC(CCNCC=O)C(=O)O MCULE-6659524915 [1,0,0,0,0,0|3,0,0]=4 120 B10R0.75 NCCCCC[C@@H](N)C(=O)O MCULE-7846811170 [1,0,0,0,0,0|1,0,2]=4 121 B10R0.75 NCCCCC[C@@H](N)C(=O)O MCULE-8562914837 [1,0,0,0,0,0|1,0,2]=4 122 B10R0.75 NCCCCC[C@H](N)C(=O)O MCULE-4522889843 [1,0,0,0,0,0|1,0,2]=4 123 B10R0.75 NCCCCC[C@H](N)C(=O)O MCULE-9026496023 [1,0,0,0,0,0|1,0,2]=4 124 B10R0.75 [N-]=[N+]=NCCC[C@@H](N)C(=O)O MCULE-2902827107 [1,0,0,0,0,0|1,0,2]=4 125 B10R0.75 [N-]=[N+]=NCCC[C@H](N)C(=O)O MCULE-6058924639 [1,0,0,0,0,0|1,0,2]=4 126 B10R0.75 [N-]=[N+]=NCCC[C@H](N)C(=O)O MCULE-6632469133 [1,0,0,0,0,0|1,0,2]=4 127 B10R0.75 [N-]=[N+]=NCCC[C@H](N)C(=O)O MCULE-7192387796 [1,0,0,0,0,0|1,0,2]=4 128 B10R0.97 C=C(Br)CCCCCC(=O)O MCULE-1129581582 [1,0,0,0,0,0|2,0,1]=4 129 B10R0.97 C=C(C)CCCCCC(=O)O MCULE-6091105789 [1,0,0,0,0,0|2,0,0]=3 130 B10R0.97 C=C(Cl)CCCCCC(=O)O MCULE-6548751857 [1,0,0,0,0,0|2,0,1]=4 131 B10R0.97 CC(=CCCCCC(=O)O)C MCULE-6679290438 [1,0,0,0,0,0|2,0,0]=3 132 B10R0.97 CC(=O)CCCCCC(=O)Cl MCULE-9699420066 [1,0,0,0,0,0|3,0,0]=4 133 B10R0.97 CC(=O)CCCCCC(=O)O MCULE-4488400468 [1,0,0,0,0,0|2,0,0]=3 134 B10R0.97 CC(=O)NCCCCC(=O)O MCULE-6323800073 [1,0,0,0,0,0|1,0,0]=2 135 B10R0.97 CC(=O)NCCOCC(=O)O MCULE-8156973678 [1,0,0,0,0,0|2,0,0]=3 136 B10R0.97 CC(=O)NCSCCC(=O)O MCULE-1672994332 [1,0,0,0,0,0|2,0,0]=3 137 B10R0.97 CC(C)CCCCCC(=O)O MCULE-6934503036 [1,0,0,0,0,0|2,0,1]=4 138 B10R0.97 CC(O)CCCCCC(=O)O MCULE-8533691013 [1,0,0,0,0,0|2,0,1]=4 139 B10R0.97 CN(C)CCCCCC(=O)O MCULE-1002014230 [1,0,0,0,0,0|3,0,0]=4 140 B10R0.97 CN(C)CCCCCC(=O)O MCULE-2670396647 [1,0,0,0,0,0|3,0,0]=4 141 B10R0.97 N=C(N)NCCCCC(=O)O MCULE-2807872503 [1,0,0,0,0,0|1,0,0]=2 142 B10R0.97 N=C(N)SCCCCC(=O)O MCULE-6602460811 [1,0,0,0,0,0|2,0,0]=3 143 B10R0.97 NC(=O)NCCCCC(=O)O MCULE-1121500109 [1,0,0,0,0,0|1,0,1]=3 144 B10R0.97 NC(=[NH2+])SCCCCC(=O)O MCULE-4252972328 [1,0,0,0,0,0|2,0,1]=4 145 B10R0.97 O=C(O)CCCCCC(=O)O MCULE-9618389016 [1,0,0,0,0,0|3,0,0]=4 146 B12R0.86 COC(=O)C(N)CCCNC(=N)N MCULE-5000268586 [0,1,0,0,0,0|1,0,0]=2 147 B12R0.86 COC(=O)C(N)CCCNC(=O)N MCULE-3252838346 [0,1,0,0,0,0|1,0,1]=3 148 B12R0.86 COC(=O)C(N)CCCOC(C)C MCULE-9225712050 [0,1,0,0,0,0|2,0,1]=4 149 B12R0.86 COC(=O)C([NH3+])CCCNC(=N)[NH3+] MCULE-9392759361 [0,1,0,0,0,0|1,0,1]=3 150 B12R0.86 COC(=O)[C@@H](N)CCCNC(=N)N MCULE-2986619830 [0,1,0,0,0,0|1,0,0]=2 151 B12R0.86 COC(=O)[C@@H](N)CCCNC(=N)N MCULE-6061371144 [0,1,0,0,0,0|1,0,0]=2 152 B12R0.86 COC(=O)[C@@H](N)CCCNC(=N)N MCULE-7173257489 [0,1,0,0,0,0|1,0,0]=2 153 B12R0.86 COC(=O)[C@@H](N)CCCNC(=N)N MCULE-7536983454 [0,1,0,0,0,0|1,0,0]=2 154 B12R0.86 COC(=O)[C@@H](N)CCCNC(=N)N MCULE-7555090022 [0,1,0,0,0,0|1,0,0]=2 155 B12R0.86 COC(=O)[C@@H](N)CCCNC(=O)N MCULE-5249311648 [0,1,0,0,0,0|1,0,1]=3 156 B12R0.86 COC(=O)[C@@H](N)CCCNC(=O)N MCULE-6644204781 [0,1,0,0,0,0|1,0,1]=3 157 B12R0.86 COC(=O)[C@@H](N)CCONC(=N)N MCULE-1024230738 [0,1,0,0,0,0|2,0,0]=3 158 B12R0.86 COC(=O)[C@@H](N)CCONC(=N)N MCULE-8644239659 [0,1,0,0,0,0|2,0,0]=3 159 B12R0.86 COC(=O)[C@H](N)CCCNC(=N)N MCULE-4290297534 [0,1,0,0,0,0|1,0,0]=2 160 B12R0.86 COC(=O)[C@H](N)CCCNC(=N)N MCULE-4345388880 [0,1,0,0,0,0|1,0,0]=2 161 B12R0.86 COC(=O)[C@H](N)CCCNC(=N)N MCULE-5054794948 [0,1,0,0,0,0|1,0,0]=2 162 B12R0.86 COC(=O)[C@H](N)CCCNC(=N)N MCULE-8949099168 [0,1,0,0,0,0|1,0,0]=2 163 B12R0.86 CSC(=O)C(N)CCCNC(=N)N MCULE-4264441244 [0,1,0,0,0,0|1,1,0]=3 164 B12R0.86 CSC(=O)C(N)CCCNC(=N)N MCULE-4986536109 [0,1,0,0,0,0|1,1,0]=3 165 B12R0.86 CSC(=O)[C@@H](N)CCCNC(=O)N MCULE-3142055425 [0,1,0,0,0,0|1,1,1]=4 166 B12R0.86 CSC(=O)[C@@H](N)CCCNC(=O)N MCULE-6193058345 [0,1,0,0,0,0|1,1,1]=4 167 B12R0.86 CSC(=O)[C@@H](N)CCCNC(=O)N MCULE-6954166742 [0,1,0,0,0,0|1,1,1]=4 168 B12R0.86 CSC(=O)[C@@H](N)CCCNC(=O)N MCULE-7859691382 [0,1,0,0,0,0|1,1,1]=4 169 B12R0.186 C/N=C(\N)/NCCC[C@@H](N)C(=O)O MCULE-1121225078 [0,1,0,0,0,0|0,0,1]=2 170 B12R0.186 C/N=C(\N)/NCCC[C@@H](N)C(=O)O MCULE-2907641468 [0,1,0,0,0,0|0,0,1]=2 171 B12R0.186 C/N=C(\N)/NCCC[C@H](N)C(=O)O MCULE-2729068755 [0,1,0,0,0,0|0,0,1]=2 172 B12R0.186 C/N=C(\N)/NCCC[C@H](N)C(=O)O MCULE-7531846873 [0,1,0,0,0,0|0,0,1]=2 173 B12R0.186 CCC(=N)NCCC[C@H](N)C(=O)O MCULE-5572284521 [0,1,0,0,0,0|0,0,0]=1 174 B12R0.186 CCC(=N)NCCC[C@H](N)C(=O)O MCULE-9860243160 [0,1,0,0,0,0|0,0,0]=1 175 B12R0.186 CNC(=N)NCCCC(N)C(=O)O MCULE-3120898540 [0,1,0,0,0,0|0,0,0]=1 176 B12R0.186 CNC(=N)NCCCC(N)C(=O)O MCULE-3301375059 [0,1,0,0,0,0|0,0,0]=1 177 B12R0.186 CNC(=N)NCCC[C@H](N)C(=O)O MCULE-1797380040 [0,1,0,0,0,0|0,0,0]=1 178 B12R0.186 CNC(=N)NCCC[C@H](N)C(=O)O MCULE-2048487137 [0,1,0,0,0,0|0,0,0]=1 179 B12R0.186 CNC(=N)NCCC[C@H](N)C(=O)O MCULE-4043013639 [0,1,0,0,0,0|0,0,0]=1 180 B12R0.186 CNC(=N)NCCC[C@H](N)C(=O)O MCULE-7261766442 [0,1,0,0,0,0|0,0,0]=1 181 B12R0.186 CS/C(=N\CCC[C@H](N)C(=O)O)/N MCULE-7775622185 [0,1,0,0,0,0|0,0,2]=3 182 B12R0.186 CSC(=N)NCCC[C@H](N)C(=O)O MCULE-5223449899 [0,1,0,0,0,0|0,0,0]=1 183 B12R0.186 CSC(=N)NCCC[C@H](N)C(=O)O MCULE-7858319216 [0,1,0,0,0,0|0,0,0]=1 184 B12R0.186 N=C(NN)NCCC[C@H](N)C(=O)O MCULE-2418194249 [0,1,0,0,0,0|1,0,0]=2 185 B12R0.186 N=C(NN)NCCC[C@H](N)C(=O)O MCULE-6985568991 [0,1,0,0,0,0|1,0,0]=2 186 B12R0.186 N=C(NO)NCCC[C@H](N)C(=O)O MCULE-1051612567 [0,1,0,0,0,0|1,0,0]=2 187 B12R0.186 N=C(NO)NCCC[C@H](N)C(=O)O MCULE-1231852000 [0,1,0,0,0,0|1,0,0]=2 188 B12R0.238 CN[C@@H](CCCNC(=N)N)C(=O)O MCULE-1167157550 [0,1,0,0,0,0|1,0,0]=2 189 B12R0.238 CN[C@@H](CCCNC(=N)N)C(=O)O MCULE-2963335078 [0,1,0,0,0,0|1,0,0]=2 190 B12R0.238 CN[C@@H](CCCNC(=N)N)C(=O)O MCULE-5560203385 [0,1,0,0,0,0|1,0,0]=2 191 B12R0.238 CN[C@@H](CCCNC(=N)N)C(=O)O MCULE-8602495389 [0,1,0,0,0,0|1,0,0]=2 192 B12R0.264 C[N+](C)(C)CCCC[C@H](N)C(=O)O MCULE-3247491876 [0,1,0,0,0,0|3,0,0]=4 193 B12R0.264 C[N+](C)(C)CCCC[C@H](N)C(=O)O MCULE-9954823613 [0,1,0,0,0,0|3,0,0]=4 194 B12R0.627 NC(CCCC(N)C(=O)O)C(=O)O MCULE-5199298661 [0,1,0,0,0,0|3,0,0]=4 195 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]=4 196 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]=4 197 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]=4 198 B12R0.687 CC(=O)NC(=O)CCC(N)C(=O)O MCULE-2604827857 [0,1,0,0,0,0|1,0,1]=3 199 B12R0.687 CC(=O)NC(=O)CC[C@H](N)C(=O)O MCULE-5226244303 [0,1,0,0,0,0|1,0,1]=3 200 B12R0.687 CC(=O)NC(=O)CC[C@H](N)C(=O)O MCULE-6434591285 [0,1,0,0,0,0|1,0,1]=3 201 B12R0.687 CC(C)NC(=O)CCC(N)C(=O)O MCULE-1215950275 [0,1,0,0,0,0|1,0,2]=4 202 B12R0.687 CC(C)NC(=O)CC[C@H](N)C(=O)O MCULE-7473681450 [0,1,0,0,0,0|1,0,2]=4 203 B12R0.687 CC(C)NC(=O)CC[C@H](N)C(=O)O MCULE-9308322685 [0,1,0,0,0,0|1,0,2]=4 204 B12R0.692 CC(=O)NCCNC(C)(C)C(=O)O MCULE-2147605065 [0,1,0,0,0,0|3,0,0]=4 205 B12R0.692 CC(=O)NCCNC(C)(C)C(=O)O MCULE-7316168849 [0,1,0,0,0,0|3,0,0]=4 206 B12R1.104 NC(CC1=CNC(=N1)S)C(=O)O MCULE-9465947211 [0,0,0,1,0,0|1,0,2]=4 207 B12R1.104 NC1=NC(=CN1)C[C@H](N)C(=O)O MCULE-6106532520 [0,0,0,1,0,0|1,0,2]=4 208 B12R1.104 N[C@@H](CC1=CNC(=N1)O)C(=O)O MCULE-9186293071 [0,0,0,1,0,0|1,0,2]=4 209 B12R1.104 N[C@@H](CC1=CNC(=N1)S)C(=O)O MCULE-9093847859 [0,0,0,1,0,0|1,0,2]=4 210 B12R1.225 CC1CCCC(C1)C(N)C(=O)O MCULE-7804039697 [0,0,0,1,0,0|2,0,1]=4 211 B12R1.258 CC(=O)N1CCCC(C1)C(=O)N MCULE-4080694218 [0,0,0,1,0,0|3,0,0]=4 212 B12R1.258 CC(=O)N1CCCC(C1)C(=O)O MCULE-2326703264 [0,0,0,1,0,0|2,0,0]=3 213 B12R1.258 CC(=O)N1CCC[C@@H](C1)C(=O)O MCULE-2720998952 [0,0,0,1,0,0|2,0,0]=3 214 B12R1.258 CC(=O)N1CCC[C@@H](C1)C(=O)O MCULE-4356837818 [0,0,0,1,0,0|2,0,0]=3 215 B12R1.258 CC(=O)N1CCC[C@H](C1)C(=O)O MCULE-4379891928 [0,0,0,1,0,0|2,0,0]=3 216 B12R1.258 CC(=O)N1CCC[C@H](C1)C(=O)O MCULE-8013678613 [0,0,0,1,0,0|2,0,0]=3 217 B12R1.258 CC(=O)N1CCNC(C1)C(=O)O MCULE-4696081121 [0,0,0,1,0,0|3,0,0]=4 218 B12R1.258 CC(=O)N1CCOC(C1)C(=O)O MCULE-6064319726 [0,0,0,1,0,0|3,0,0]=4 219 B12R1.258 CC(C)N1CCCC(C1)C(=O)O MCULE-8181632552 [0,0,0,1,0,0|2,0,1]=4 220 B12R1.258 CC(C)N1CCCC(C1)C(=O)O MCULE-8953491391 [0,0,0,1,0,0|2,0,1]=4 221 B12R1.258 N=C(N)N1CCCC(C1)C(=O)O MCULE-9318604892 [0,0,0,1,0,0|2,0,0]=3 222 B12R1.258 NC(=O)N1CCCC(C1)C(=O)O MCULE-6020689201 [0,0,0,1,0,0|2,0,1]=4 223 B12R1.258 NC(=O)N1CCCC(C1)C(=O)O MCULE-6379077809 [0,0,0,1,0,0|2,0,1]=4 224 B12R1.258 O=C(O)C1CCCC(N1)C(=O)O MCULE-1816268674 [0,0,0,1,0,0|3,0,0]=4 225 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]=4 226 B12R1.1388 CC(=O)N1CCCC1(C)C(=O)O MCULE-1907207934 [0,0,0,1,0,0|2,0,0]=3 227 B12R1.1388 CC(=O)N1CCC[C@]1(C)C(=O)O MCULE-3679005256 [0,0,0,1,0,0|2,0,0]=3 228 B12R1.1388 CC(=O)N1CCC[C@]1(C)C(=O)O MCULE-5226979290 [0,0,0,1,0,0|2,0,0]=3 229 B10R0.98 CC(=O)CCCC(C)C(=O)O MCULE-5760169093 [0,0,0,0,1,0|2,0,0]=3 230 B10R0.98 CC(=O)NCC[C@H](N)C(=O)O MCULE-5384056558 [0,0,0,0,1,0|1,0,0]=2 231 B10R0.98 CC(=O)NCC[C@H](N)C(=O)O MCULE-9151560319 [0,0,0,0,1,0|1,0,0]=2 232 B10R0.98 CC(=O)OCCC(N)C(=O)O MCULE-7691334763 [0,0,0,0,1,0|2,0,0]=3 233 B10R0.98 CC(=O)OCCC(N)C(=O)O MCULE-9993433450 [0,0,0,0,1,0|2,0,0]=3 234 B10R0.98 CC(=O)OCC[C@H](N)C(=O)O MCULE-5425852779 [0,0,0,0,1,0|2,0,0]=3 235 B10R0.98 CC(=O)OCC[C@H](N)C(=O)O MCULE-6909234177 [0,0,0,0,1,0|2,0,0]=3 236 B10R0.98 CC(C)CCCC(C)C(=O)O MCULE-3667108752 [0,0,0,0,1,0|2,0,1]=4 237 B10R0.98 CC(C)CCCC(N)C(=O)O MCULE-5699505174 [0,0,0,0,1,0|1,0,1]=3 238 B10R0.98 CC(C)CCCC(N)C(=O)O MCULE-8151358815 [0,0,0,0,1,0|1,0,1]=3 239 B10R0.98 CC(C)CCC[C@H](N)C(=O)O MCULE-3341158972 [0,0,0,0,1,0|1,0,1]=3 240 B10R0.98 CC(C)CCC[C@H](N)C(=O)O MCULE-6452147303 [0,0,0,0,1,0|1,0,1]=3 241 B10R0.98 CC(N)CCCC(C)C(=O)O MCULE-5130020295 [0,0,0,0,1,0|1,0,2]=4 242 B10R0.98 CC(N)CCCC(C)C(=O)O MCULE-6070288614 [0,0,0,0,1,0|1,0,2]=4 243 B10R0.98 CN(C)CCC[C@H](N)C(=O)O MCULE-9481059271 [0,0,0,0,1,0|2,0,0]=3 244 B10R0.98 N=C(N)NCCC(N)C(=O)O MCULE-2234773343 [0,0,0,0,1,0|1,0,0]=2 245 B10R0.98 N=C(N)NCCC(N)C(=O)O MCULE-9635728361 [0,0,0,0,1,0|1,0,0]=2 246 B10R0.98 N=C(N)NCC[C@H](N)C(=O)O MCULE-5360635274 [0,0,0,0,1,0|1,0,0]=2 247 B10R0.98 N=C(N)NCC[C@H](N)C(=O)O MCULE-7633853490 [0,0,0,0,1,0|1,0,0]=2 248 B10R0.98 NC(CCCC(=O)O)C(=O)O MCULE-3021567253 [0,0,0,0,1,0|2,0,0]=3 249 B10R0.98 NC(CCCC(=O)O)C(=O)O MCULE-7434229402 [0,0,0,0,1,0|2,0,0]=3 250 B10R0.98 NC(CCCC(=O)O)C(=O)O MCULE-8474963048 [0,0,0,0,1,0|2,0,0]=3 251 B10R0.98 NC(CSCC(=O)O)C(=O)O MCULE-1997609241 [0,0,0,0,1,0|3,0,0]=4 252 B10R0.98 N[C@@H](CCCC(=O)O)C(=O)O MCULE-1991686030 [0,0,0,0,1,0|2,0,0]=3 253 B10R0.98 N[C@@H](CCCC(=O)O)C(=O)O MCULE-6053925503 [0,0,0,0,1,0|2,0,0]=3 254 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O MCULE-3291004829 [0,0,0,0,1,0|3,0,0]=4 255 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O MCULE-3828091379 [0,0,0,0,1,0|3,0,0]=4 256 B10R0.98 N[C@H](CCCC(=O)O)C(=O)O MCULE-3179500404 [0,0,0,0,1,0|2,0,0]=3 257 B10R0.98 N[C@H](CCCC(=O)O)C(=O)O MCULE-9722366772 [0,0,0,0,1,0|2,0,0]=3 258 B10R0.98 O=C(O)CCCC(O)C(=O)O MCULE-5970708862 [0,0,0,0,1,0|3,0,0]=4 259 B10R0.98 O=C(O)CCC[C@H](O)C(=O)O MCULE-4157551693 [0,0,0,0,1,0|3,0,0]=4 260 B12R0.42 C/C(=N/CCCC[C@H](N)C(=O)O)/N MCULE-7878147954 [0,0,0,0,0,1|0,0,2]=3 261 B12R0.42 CC(=N)NCCCCC(N)C(=O)O MCULE-2748186789 [0,0,0,0,0,1|0,0,0]=1 262 B12R0.42 CC(=N)NCCCCC(N)C(=O)O MCULE-6164256302 [0,0,0,0,0,1|0,0,0]=1 263 B12R0.42 CC(=N)NCCCC[C@H](N)C(=O)O MCULE-2218386265 [0,0,0,0,0,1|0,0,0]=1 264 B12R0.42 CC(=N)NCCCC[C@H](N)C(=O)O MCULE-5581195825 [0,0,0,0,0,1|0,0,0]=1 265 B12R0.42 CC(=N)NCCCC[C@H](N)C(=O)O MCULE-8004298113 [0,0,0,0,0,1|0,0,0]=1 266 B12R0.42 CC(=O)CCCCCC(N)C(=O)O MCULE-8560922815 [0,0,0,0,0,1|2,0,0]=3 267 B12R0.42 CC(=O)CCCCCC(N)C(=O)O MCULE-9405826819 [0,0,0,0,0,1|2,0,0]=3 268 B12R0.42 CC(=O)NCCCCC(N)C(=O)O MCULE-4363164306 [0,0,0,0,0,1|1,0,0]=2 269 B12R0.42 CC(=O)NCCCCC(N)C(=O)O MCULE-7418953050 [0,0,0,0,0,1|1,0,0]=2 270 B12R0.42 CC(=O)NCCCC[C@@H](N)C(=O)O MCULE-2826730309 [0,0,0,0,0,1|1,0,0]=2 271 B12R0.42 CC(=O)NCCCC[C@H](N)C(=O)O MCULE-2500699001 [0,0,0,0,0,1|1,0,0]=2 272 B12R0.42 CC(=O)NCCCC[C@H](N)C(=O)O MCULE-2747158053 [0,0,0,0,0,1|1,0,0]=2 273 B12R0.42 CC(=O)NCCCC[C@H](N)C(=O)O MCULE-8086021811 [0,0,0,0,0,1|1,0,0]=2 274 B12R0.42 CC(=O)NCCCC[C@H](N)C(=O)O MCULE-9503615061 [0,0,0,0,0,1|1,0,0]=2 275 B12R0.42 CC(C)NCCCCC(N)C(=O)O MCULE-4725150112 [0,0,0,0,0,1|1,0,1]=3 276 B12R0.42 CC(C)NCCCC[C@H](N)C(=O)O MCULE-1146954302 [0,0,0,0,0,1|1,0,1]=3 277 B12R0.42 N=C(N)NCCCCC(N)C(=O)O MCULE-1114934644 [0,0,0,0,0,1|1,0,0]=2 278 B12R0.42 N=C(N)NCCCCC(N)C(=O)O MCULE-4078920174 [0,0,0,0,0,1|1,0,0]=2 279 B12R0.42 N=C(N)NCCCC[C@@H](N)C(=O)O MCULE-1049518743 [0,0,0,0,0,1|1,0,0]=2 280 B12R0.42 N=C(N)NCCCC[C@@H](N)C(=O)O MCULE-4108646118 [0,0,0,0,0,1|1,0,0]=2 281 B12R0.42 N=C(N)NCCCC[C@@H](N)C(=O)O MCULE-4835018951 [0,0,0,0,0,1|1,0,0]=2 282 B12R0.42 N=C(N)NCCCC[C@@H](N)C(=O)O MCULE-5471188514 [0,0,0,0,0,1|1,0,0]=2 283 B12R0.42 N=C(N)NCCCC[C@H](N)C(=O)O MCULE-1726271138 [0,0,0,0,0,1|1,0,0]=2 284 B12R0.42 N=C(N)NCCCC[C@H](N)C(=O)O MCULE-2352708400 [0,0,0,0,0,1|1,0,0]=2 285 B12R0.42 N=C(N)NCCCC[C@H](N)C(=O)O MCULE-6794898094 [0,0,0,0,0,1|1,0,0]=2 286 B12R0.42 N=C(N)NCCCC[C@H](N)C(=O)O MCULE-7371205614 [0,0,0,0,0,1|1,0,0]=2 287 B12R0.42 NC(=O)NCCCCC(N)C(=O)O MCULE-5422005056 [0,0,0,0,0,1|1,0,1]=3 288 B12R0.42 NC(=O)NCCCCC(N)C(=O)O MCULE-6598703304 [0,0,0,0,0,1|1,0,1]=3 289 B12R0.42 NC(=O)NCCCC[C@@H](N)C(=O)O MCULE-6382139330 [0,0,0,0,0,1|1,0,1]=3 290 B12R0.42 NC(=O)NCCCC[C@@H](N)C(=O)O MCULE-7025106309 [0,0,0,0,0,1|1,0,1]=3 291 B12R0.42 NC(=O)NCCCC[C@H](N)C(=O)O MCULE-7636320216 [0,0,0,0,0,1|1,0,1]=3 292 B12R0.42 NC(=O)NCCCC[C@H](N)C(=O)O MCULE-7719006708 [0,0,0,0,0,1|1,0,1]=3 293 B12R0.42 NC(CCCCCC(=O)O)C(=O)O MCULE-7949829956 [0,0,0,0,0,1|3,0,0]=4 294 B12R0.42 NC(CSCCCC(=O)O)C(=O)O MCULE-6552348472 [0,0,0,0,0,1|3,0,0]=4 295 B12R0.42 N[C@@H](CCCCCC(=O)O)C(=O)O MCULE-2069821066 [0,0,0,0,0,1|3,0,0]=4 296 B12R0.42 N[C@@H](CCCCCC(=O)O)C(=O)O MCULE-3495032122 [0,0,0,0,0,1|3,0,0]=4 297 B12R0.42 N[C@@H](CSCCCC(=O)O)C(=O)O MCULE-1221416102 [0,0,0,0,0,1|3,0,0]=4 298 B12R0.42 N[C@@H](CSCCCC(=O)O)C(=O)O MCULE-2038684739 [0,0,0,0,0,1|3,0,0]=4 299 B12R0.42 N[C@H](CCCCCC(=O)O)C(=O)O MCULE-2692259414 [0,0,0,0,0,1|3,0,0]=4 300 B12R0.42 N[C@H](CCCCCC(=O)O)C(=O)O MCULE-6806526657 [0,0,0,0,0,1|3,0,0]=4 301 B12R0.42 [C@@H](N)(CCCCNC(=O)C)C(=O)O MCULE-9387648281 [0,0,0,0,0,1|1,0,0]=2 302 B12R0.270 CC(=O)NCCC[C@@H](N)CC(=O)O MCULE-4886618146 [0,0,0,0,0,1|1,0,0]=2 303 B12R0.270 N=C(N)NCCC[C@@H](N)CC(=O)O MCULE-3804537269 [0,0,0,0,0,1|1,0,0]=2 304 B9R0.2 C=CCCCCCC(=O)O MCULE-6571932731 [2,0,0,0,0,0|1,0,1]=4 305 B9R0.2 CCCCCCCC(=O)O MCULE-5193957469 [2,0,0,0,0,0|1,0,1]=4 306 B9R0.2 CCNCCCCC(=O)O MCULE-1386195341 [2,0,0,0,0,0|0,0,1]=3 307 B9R0.2 CCNCCCCC(=O)O MCULE-1922836400 [2,0,0,0,0,0|0,0,1]=3 308 B9R0.2 CCOCCCCC(=O)O MCULE-8522289104 [2,0,0,0,0,0|1,0,1]=4 309 B9R0.2 CNCCCCCC(=O)O MCULE-8016435275 [2,0,0,0,0,0|2,0,0]=4 310 B9R0.2 COCCCCCC(=O)O MCULE-1769987918 [2,0,0,0,0,0|2,0,0]=4 311 B9R0.2 CSCCCCCC(=O)O MCULE-9069370044 [2,0,0,0,0,0|2,0,0]=4 312 B9R0.2 C[NH2+]CCCCCC(=O)O MCULE-8971339830 [2,0,0,0,0,0|2,0,0]=4 313 B9R0.2 O=CCCCCCC(=O)O MCULE-1442157793 [2,0,0,0,0,0|2,0,0]=4 314 B9R0.47 C#CCCC[C@@H](N)C(=O)O MCULE-1522125822 [2,0,0,0,0,0|0,0,2]=4 315 B9R0.47 C#CCCC[C@@H](N)C(=O)O MCULE-2184948430 [2,0,0,0,0,0|0,0,2]=4 316 B9R0.47 C#CCCC[C@H](N)C(=O)O MCULE-3478575968 [2,0,0,0,0,0|0,0,2]=4 317 B9R0.47 C#CCCC[C@H](N)C(=O)O MCULE-5307313414 [2,0,0,0,0,0|0,0,2]=4 318 B9R0.47 C(N)(CCCCN)C(=O)O MCULE-7060791798 [2,0,0,0,0,0|0,0,2]=4 319 B9R0.47 C/C=C/SC[C@H](N)C(=O)O MCULE-2540874981 [2,0,0,0,0,0|1,0,1]=4 320 B9R0.47 C=CCCCC(N)C(=O)O MCULE-3707920281 [2,0,0,0,0,0|0,0,1]=3 321 B9R0.47 C=CCCCC(N)C(=O)O MCULE-5939027667 [2,0,0,0,0,0|0,0,1]=3 322 B9R0.47 C=CCCCC(N)C(=O)O MCULE-6095387409 [2,0,0,0,0,0|0,0,1]=3 323 B9R0.47 C=CCCC[C@@H](N)C(=O)O MCULE-2101628204 [2,0,0,0,0,0|0,0,1]=3 324 B9R0.47 C=CCCC[C@@H](N)C(=O)O MCULE-7328150693 [2,0,0,0,0,0|0,0,1]=3 325 B9R0.47 C=CCCC[C@H](N)C(=O)O MCULE-1162071877 [2,0,0,0,0,0|0,0,1]=3 326 B9R0.47 C=CCCC[C@H](N)C(=O)O MCULE-7245809917 [2,0,0,0,0,0|0,0,1]=3 327 B9R0.47 C=CCSCC(N)C(=O)O MCULE-6058548878 [2,0,0,0,0,0|1,0,1]=4 328 B9R0.47 C=CCSCC(N)C(=O)O MCULE-9209051108 [2,0,0,0,0,0|1,0,1]=4 329 B9R0.47 C=CCSC[C@@H](N)C(=O)O MCULE-8305031365 [2,0,0,0,0,0|1,0,1]=4 330 B9R0.47 C=CCSC[C@@H](N)C(=O)O MCULE-9911064679 [2,0,0,0,0,0|1,0,1]=4 331 B9R0.47 C=CCSC[C@H](N)C(=O)O MCULE-8106938913 [2,0,0,0,0,0|1,0,1]=4 332 B9R0.47 C=CCSC[C@H](N)C(=O)O MCULE-8215284816 [2,0,0,0,0,0|1,0,1]=4 333 B9R0.47 C=CCSC[C@H](N)C(=O)O MCULE-9415243514 [2,0,0,0,0,0|1,0,1]=4 334 B9R0.47 C=CSCC[C@H](N)C(=O)O MCULE-2736074137 [2,0,0,0,0,0|1,0,1]=4 335 B9R0.47 CC=CSC[C@H](N)C(=O)O MCULE-2840170360 [2,0,0,0,0,0|1,0,1]=4 336 B9R0.47 CCCCCC(C)C(=O)O MCULE-3831811055 [2,0,0,0,0,0|1,0,1]=4 337 B9R0.47 CCCCCC(N)C(=O)O MCULE-5558679374 [2,0,0,0,0,0|0,0,1]=3 338 B9R0.47 CCCCCC(N)C(=O)O MCULE-8607576790 [2,0,0,0,0,0|0,0,1]=3 339 B9R0.47 CCCCCC(O)C(=O)O MCULE-4151749430 [2,0,0,0,0,0|1,0,1]=4 340 B9R0.47 CCCCC[C@@H](N)C(=O)O MCULE-3981603450 [2,0,0,0,0,0|0,0,1]=3 341 B9R0.47 CCCCC[C@@H](N)C(=O)O MCULE-6090735433 [2,0,0,0,0,0|0,0,1]=3 342 B9R0.47 CCCCC[C@H](N)C(=O)O MCULE-8108024359 [2,0,0,0,0,0|0,0,1]=3 343 B9R0.47 CCCCC[C@H](N)C(=O)O MCULE-9961773652 [2,0,0,0,0,0|0,0,1]=3 344 B9R0.47 CCCSCC(N)C(=O)O MCULE-1465196294 [2,0,0,0,0,0|1,0,1]=4 345 B9R0.47 CCCSCC(N)C(=O)O MCULE-2196835186 [2,0,0,0,0,0|1,0,1]=4 346 B9R0.47 CCCSC[C@H](N)C(=O)O MCULE-2274873569 [2,0,0,0,0,0|1,0,1]=4 347 B9R0.47 CCNCCC(N)C(=O)O MCULE-8873123795 [2,0,0,0,0,0|0,0,1]=3 348 B9R0.47 CCSCCC(N)C(=O)O MCULE-8503033566 [2,0,0,0,0,0|1,0,1]=4 349 B9R0.47 CCSCCC(N)C(=O)O MCULE-9465623190 [2,0,0,0,0,0|1,0,1]=4 350 B9R0.47 CCSCC[C@@H](N)C(=O)O MCULE-2836325620 [2,0,0,0,0,0|1,0,1]=4 351 B9R0.47 CCSCC[C@H](N)C(=O)O MCULE-6614300528 [2,0,0,0,0,0|1,0,1]=4 352 B9R0.47 CC[Se]CCC(N)C(=O)O MCULE-7426703933 [2,0,0,0,0,0|1,0,1]=4 353 B9R0.47 COCCCC(C)C(=O)O MCULE-7159772792 [2,0,0,0,0,0|2,0,0]=4 354 B9R0.47 CSCSC[C@H](N)C(=O)O MCULE-2792975111 [2,0,0,0,0,0|2,0,0]=4 355 B9R0.47 NC(CCCCO)C(=O)O MCULE-7372730935 [2,0,0,0,0,0|1,0,1]=4 356 B9R0.47 NCCCCC(N)C(=O)O MCULE-1411873021 [2,0,0,0,0,0|0,0,2]=4 357 B9R0.47 NCCCCC(N)C(=O)O MCULE-1436032977 [2,0,0,0,0,0|0,0,2]=4 358 B9R0.47 NCCCCC(N)C(=O)O MCULE-5737537430 [2,0,0,0,0,0|0,0,2]=4 359 B9R0.47 NCCCCC(N)C(=O)O MCULE-6537319758 [2,0,0,0,0,0|0,0,2]=4 360 B9R0.47 NCCCCC(N)C(=O)O MCULE-9665753367 [2,0,0,0,0,0|0,0,2]=4 361 B9R0.47 NCCCC[C@@H](N)C(=O)O MCULE-2051883110 [2,0,0,0,0,0|0,0,2]=4 362 B9R0.47 NCCCC[C@@H](N)C(=O)O MCULE-2174845427 [2,0,0,0,0,0|0,0,2]=4 363 B9R0.47 NCCCC[C@@H](N)C(=O)O MCULE-7229907816 [2,0,0,0,0,0|0,0,2]=4 364 B9R0.47 NCCCC[C@@H](N)C(=O)O MCULE-7646209988 [2,0,0,0,0,0|0,0,2]=4 365 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-1814780282 [2,0,0,0,0,0|0,0,2]=4 366 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-2585671029 [2,0,0,0,0,0|0,0,2]=4 367 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-2735109468 [2,0,0,0,0,0|0,0,2]=4 368 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-3226089160 [2,0,0,0,0,0|0,0,2]=4 369 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-4736099943 [2,0,0,0,0,0|0,0,2]=4 370 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-5602916309 [2,0,0,0,0,0|0,0,2]=4 371 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-5669080418 [2,0,0,0,0,0|0,0,2]=4 372 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-5771120494 [2,0,0,0,0,0|0,0,2]=4 373 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-6467055628 [2,0,0,0,0,0|0,0,2]=4 374 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-7268734331 [2,0,0,0,0,0|0,0,2]=4 375 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-7702716758 [2,0,0,0,0,0|0,0,2]=4 376 B9R0.47 N[C@@H](CCCCO)C(=O)O MCULE-1855458643 [2,0,0,0,0,0|1,0,1]=4 377 B9R0.47 N[C@@H](CCCCO)C(=O)O MCULE-3280637244 [2,0,0,0,0,0|1,0,1]=4 378 B9R0.47 N[C@@H](CCCNO)C(=O)O MCULE-2690192301 [2,0,0,0,0,0|1,0,0]=3 379 B9R0.47 N[C@@H](CCCNO)C(=O)O MCULE-8331389811 [2,0,0,0,0,0|1,0,0]=3 380 B9R0.47 N[C@@H](CCCNO)C(=O)O MCULE-9071251692 [2,0,0,0,0,0|1,0,0]=3 381 B9R0.47 N[C@@H](CCCNO)C(=O)O MCULE-9613387165 [2,0,0,0,0,0|1,0,0]=3 382 B9R0.47 [C@@H](N)(CCCCN)C(=O)O MCULE-2676284364 [2,0,0,0,0,0|0,0,2]=4 383 B9R0.47 [C@@H](N)(CCCCN)C(=O)O MCULE-3536027321 [2,0,0,0,0,0|0,0,2]=4 384 B9R0.47 [C@H](N)(CCNCC)C(=O)O MCULE-8327043663 [2,0,0,0,0,0|0,0,1]=3 385 B11R0.42 C=CCCCCCC(N)C(=O)O MCULE-1162188913 [1,1,0,0,0,0|1,0,1]=4 386 B11R0.42 C=CCCCCCC(N)C(=O)O MCULE-3131667346 [1,1,0,0,0,0|1,0,1]=4 387 B11R0.42 C=CCCCCCC(N)C(=O)O MCULE-4888632865 [1,1,0,0,0,0|1,0,1]=4 388 B11R0.42 C=CCCCCC[C@@H](N)C(=O)O MCULE-5391769158 [1,1,0,0,0,0|1,0,1]=4 389 B11R0.42 C=CCCCCC[C@@H](N)C(=O)O MCULE-5861402789 [1,1,0,0,0,0|1,0,1]=4 390 B11R0.42 C=CCCCCC[C@@H](N)C(=O)O MCULE-8081984411 [1,1,0,0,0,0|1,0,1]=4 391 B11R0.42 C=CCCCCC[C@@H](N)C(=O)O MCULE-8137198974 [1,1,0,0,0,0|1,0,1]=4 392 B11R0.42 C=CCCCCC[C@H](N)C(=O)O MCULE-1233544353 [1,1,0,0,0,0|1,0,1]=4 393 B11R0.42 C=CCCCCC[C@H](N)C(=O)O MCULE-3790089576 [1,1,0,0,0,0|1,0,1]=4 394 B11R0.42 C=CCCCCC[C@H](N)C(=O)O MCULE-8748986273 [1,1,0,0,0,0|1,0,1]=4 395 B11R0.42 C=CCCCCC[C@H](N)C(=O)O MCULE-9105977293 [1,1,0,0,0,0|1,0,1]=4 396 B11R0.42 CCCCCCCC(N)C(=O)O MCULE-4518631723 [1,1,0,0,0,0|1,0,1]=4 397 B11R0.42 CCCCCCC[C@@H](N)C(=O)O MCULE-7367412741 [1,1,0,0,0,0|1,0,1]=4 398 B11R0.42 CCCCCCC[C@H](N)C(=O)O MCULE-4025079053 [1,1,0,0,0,0|1,0,1]=4 399 B11R0.42 CCCCCCC[C@H](N)C(=O)O MCULE-4061410149 [1,1,0,0,0,0|1,0,1]=4 400 B11R0.42 CCCCSCCC(N)C(=O)O MCULE-9943276345 [1,1,0,0,0,0|1,0,1]=4 401 B11R0.42 CCCCSCC[C@@H](N)C(=O)O MCULE-5947369888 [1,1,0,0,0,0|1,0,1]=4 402 B11R0.42 CCCCSCC[C@H](N)C(=O)O MCULE-6636715475 [1,1,0,0,0,0|1,0,1]=4 403 B11R0.42 N/N=C/NCCCC(N)C(=O)N MCULE-5390375108 [1,1,0,0,0,0|1,0,0]=3 404 B11R0.42 N/N=C/NCCC[C@@H](N)C(=O)N MCULE-1451777480 [1,1,0,0,0,0|1,0,0]=3 405 B11R0.42 NC(CCCCNC=O)C(=O)O MCULE-1951015462 [1,1,0,0,0,0|1,0,0]=3 406 B11R0.42 N[C@@H](CCCCNC=O)C(=O)O MCULE-4391601903 [1,1,0,0,0,0|1,0,0]=3 407 B11R0.42 N[C@@H](CCCCNC=O)C(=O)O MCULE-4927440935 [1,1,0,0,0,0|1,0,0]=3 408 B11R0.76 CCCCCCC(NC)C(=O)O MCULE-7287509088 [1,1,0,0,0,0|1,0,1]=4 409 B11R0.125 C=CCCCC[C@@](C)(N)C(=O)O MCULE-6510689748 [1,1,0,0,0,0|1,0,1]=4 410 B11R0.125 C=CCCCC[C@](C)(N)C(=O)O MCULE-8447084960 [1,1,0,0,0,0|1,0,1]=4 411 B11R0.125 CCCCCCC(C)(N)C(=O)O MCULE-1741748079 [1,1,0,0,0,0|1,0,1]=4 412 B11R0.141 CCNC(=O)CCC(N)C(=O)O MCULE-6282658853 [1,1,0,0,0,0|0,0,2]=4 413 B11R0.141 CCNC(=O)CC[C@@H](N)C(=O)O MCULE-8097322594 [1,1,0,0,0,0|0,0,2]=4 414 B11R0.141 CCNC(=O)CC[C@H](N)C(=O)O MCULE-6143390139 [1,1,0,0,0,0|0,0,2]=4 415 B11R0.141 CCNC(=O)CC[C@H](N)C(=O)O MCULE-9231004806 [1,1,0,0,0,0|0,0,2]=4 416 B11R0.142 CCCCCC[C@H](N)C(=O)OC MCULE-1398170037 [1,1,0,0,0,0|1,0,1]=4 417 B11R0.142 CCCCCC[C@H](N)C(=O)OC MCULE-3295480977 [1,1,0,0,0,0|1,0,1]=4 418 B11R0.142 CCCCCC[C@H](N)C(=O)OC MCULE-5212970889 [1,1,0,0,0,0|1,0,1]=4 419 B11R0.142 CCCCCC[C@H](N)C(=O)OC MCULE-7851215638 [1,1,0,0,0,0|1,0,1]=4 420 B11R0.6 CC(=CCCC(C)CC(=O)O)C MCULE-3455137708 [1,1,0,0,0,0|2,0,0]=4 421 B11R0.6 CC(=CCC[C@@H](C)CC(=O)O)C MCULE-1765346802 [1,1,0,0,0,0|2,0,0]=4 422 B11R0.6 CC(=CCC[C@H](C)CC(=O)O)C MCULE-2400113823 [1,1,0,0,0,0|2,0,0]=4 423 B11R0.6 CC(=CCC[C@H](C)CC(=O)O)C MCULE-9691367682 [1,1,0,0,0,0|2,0,0]=4 424 B11R0.6 [C@@H](C)(CCC=C(C)C)CC(=O)O MCULE-1438242882 [1,1,0,0,0,0|2,0,0]=4 425 B11R0.111 CCC(=O)CCCCCC(=O)O MCULE-8603570043 [1,1,0,0,0,0|2,0,0]=4 426 B11R0.111 COC(=O)CCCCCC(=O)O MCULE-7307151830 [1,1,0,0,0,0|2,0,0]=4 427 B11R0.150 NC(CCC(N)C(=O)O)C(=O)O MCULE-3879325501 [0,1,0,0,1,0|2,0,0]=4 428 B11R0.150 NC(CCC(N)C(=O)O)C(=O)O MCULE-8835673266 [0,1,0,0,1,0|2,0,0]=4 429 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]=4 430 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]=4 431 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]=4 432 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]=4 433 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]=4 434 B11R0.202 CN(C)CCCC(C)(N)C(=O)O MCULE-4108460380 [0,1,0,0,1,0|2,0,0]=4 435 B11R0.202 CN(C)CCCC(C)(N)C(=O)O MCULE-4474091421 [0,1,0,0,1,0|2,0,0]=4 436 B13R0.101 COC(=O)C(N)CCCCNC(=O)C MCULE-6685329240 [0,1,0,0,0,1|1,0,0]=3 437 B13R0.101 COC(=O)C(N)CCCCNC(=O)C MCULE-9146351607 [0,1,0,0,0,1|1,0,0]=3 438 B13R0.101 COC(=O)[C@@H](N)CCCCNC(=O)C MCULE-1952085059 [0,1,0,0,0,1|1,0,0]=3 439 B13R0.101 COC(=O)[C@@H](N)CCCCNC(=O)C MCULE-2631706513 [0,1,0,0,0,1|1,0,0]=3 440 B13R0.101 COC(=O)[C@@H](N)CCCCNC(=O)C MCULE-6706973771 [0,1,0,0,0,1|1,0,0]=3 441 B13R0.101 COC(=O)[C@@H](N)CCCCNC(=O)C MCULE-6778302428 [0,1,0,0,0,1|1,0,0]=3 442 B13R0.204 C=CC(=O)NCCCC[C@H](N)C(=O)O MCULE-2461366013 [0,1,0,0,0,1|1,0,1]=4 443 B13R0.204 C=CC(=O)NCCCC[C@H](N)C(=O)O MCULE-8091041228 [0,1,0,0,0,1|1,0,1]=4 444 B13R0.204 CCC(=O)NCCCCC(N)C(=O)O MCULE-1055431872 [0,1,0,0,0,1|1,0,0]=3 445 B13R0.204 CCC(=O)NCCCCC(N)C(=O)O MCULE-9001314161 [0,1,0,0,0,1|1,0,0]=3 446 B13R0.204 CCC(=O)NCCCC[C@H](N)C(=O)O MCULE-3127074319 [0,1,0,0,0,1|1,0,0]=3 447 B13R0.204 N[C@@H](CCCCNC(=O)CO)C(=O)O MCULE-6232083879 [0,1,0,0,0,1|1,0,0]=3 448 B13R0.353 CN(C)C(=N)NCCCC(N)C(=O)O MCULE-4428494644 [0,1,0,0,0,1|2,0,0]=4 449 B13R0.353 CN(C)C(=N)NCCCC(N)C(=O)O MCULE-7145196655 [0,1,0,0,0,1|2,0,0]=4 450 B13R0.353 CN(C)C(=N)NCCC[C@@H](N)C(=O)O MCULE-3916969169 [0,1,0,0,0,1|2,0,0]=4 451 B13R0.353 CN(C)C(=N)NCCC[C@H](N)C(=O)O MCULE-4775960538 [0,1,0,0,0,1|2,0,0]=4 452 B13R0.353 CN(C)C(=N)NCCC[C@H](N)C(=O)O MCULE-7242807635 [0,1,0,0,0,1|2,0,0]=4 453 B13R0.353 CN(C)C(=N)NCCC[C@H](N)C(=O)O MCULE-9302419275 [0,1,0,0,0,1|2,0,0]=4 454 B13R0.1406 C/C(=N/CCSC[C@](C)(N)C(=O)O)/N MCULE-4372790310 [0,1,0,0,0,1|0,0,2]=4 455 B13R0.1406 C/C(=N/CCSC[C@](C)(N)C(=O)O)/N MCULE-7941504198 [0,1,0,0,0,1|0,0,2]=4 456 B13R0.261 CCOC(=O)C(N)CCCNC(=N)N MCULE-3597819106 [0,2,0,0,0,0|1,0,0]=3 457 B13R0.261 CCOC(=O)C(N)CCCNC(=N)N MCULE-4640909601 [0,2,0,0,0,0|1,0,0]=3 458 B13R0.261 CCOC(=O)C(N)CCCNC(=N)N MCULE-6928747390 [0,2,0,0,0,0|1,0,0]=3 459 B13R0.261 CCOC(=O)[C@@H](N)CCCNC(=N)N MCULE-3515414314 [0,2,0,0,0,0|1,0,0]=3 460 B13R0.261 CCOC(=O)[C@@H](N)CCCNC(=N)N MCULE-6624527926 [0,2,0,0,0,0|1,0,0]=3 461 B13R0.261 CCOC(=O)[C@@H](N)CCCNC(=N)N MCULE-7294596356 [0,2,0,0,0,0|1,0,0]=3 462 B13R0.261 CCOC(=O)[C@@H](N)CCCNC(=N)N MCULE-9921754152 [0,2,0,0,0,0|1,0,0]=3 463 B13R0.91 C=CCC(=N)NCCC[C@H](N)C(=O)O MCULE-1028443766 [0,2,0,0,0,0|0,0,0]=2 464 B13R0.91 C=CCC(=N)NCCC[C@H](N)C(=O)O MCULE-4666168187 [0,2,0,0,0,0|0,0,0]=2 465 B13R0.91 CCCC(=N)NCCC[C@H](N)C(=O)O MCULE-3925424238 [0,2,0,0,0,0|0,0,0]=2 466 B13R0.91 CCCC(=N)NCCC[C@H](N)C(=O)O MCULE-5887869461 [0,2,0,0,0,0|0,0,0]=2 467 B13R0.1121 C/N=C(\NC)/NCCC[C@H](N)C(=O)O MCULE-2043912759 [0,2,0,0,0,0|0,0,0]=2 468 B13R0.1121 CNC(=NCCCC(N)C(=O)O)NC MCULE-1257057066 [0,2,0,0,0,0|0,0,2]=4 469 B13R0.1121 CNC(=NCCC[C@@H](N)C(=O)O)NC MCULE-3053842404 [0,2,0,0,0,0|0,0,2]=4 470 B13R0.1121 CNC(=NCCC[C@H](N)C(=O)O)NC MCULE-4273417067 [0,2,0,0,0,0|0,0,2]=4 471 B13R0.1423 CC(=O)NCSC(C)(C)[C@@H](N)C(=O)O MCULE-1911719589 [0,2,0,0,0,0|2,0,0]=4 472 B13R0.1423 CC(=O)NCSC(C)(C)[C@@H](N)C(=O)O MCULE-6521617234 [0,2,0,0,0,0|2,0,0]=4 473 B13R0.1423 CC(=O)NCSC(C)(C)[C@@H](N)C(=O)O MCULE-7755611672 [0,2,0,0,0,0|2,0,0]=4 474 B13R0.1423 CC(=O)NCSC(C)(C)[C@@H](N)C(=O)O MCULE-8186203453 [0,2,0,0,0,0|2,0,0]=4 475 B11R1.266 CC(=O)N1CCCC(C1)C=O MCULE-8581818692 [1,0,0,1,0,0|2,0,0]=4 476 B11R1.35 NC(CC1=CNC=N1)C(=O)O MCULE-2923626784 [1,0,0,1,0,0|0,0,2]=4 477 B11R1.35 NC(CC1=CNC=N1)C(=O)O MCULE-6787534916 [1,0,0,1,0,0|0,0,2]=4 478 B11R1.35 NC(CC1=CNC=N1)C(=O)O MCULE-7525765487 [1,0,0,1,0,0|0,0,2]=4 479 B11R1.35 NC(CC1=NNC=N1)C(=O)O MCULE-8826640392 [1,0,0,1,0,0|1,0,1]=4 480 B11R1.35 NC(CC1CCCC1)C(=O)O MCULE-2541402745 [1,0,0,1,0,0|1,0,1]=4 481 B11R1.35 NC(CC1CCCC1)C(=O)O MCULE-3851918025 [1,0,0,1,0,0|1,0,1]=4 482 B11R1.35 NC(CC1CCNC1)C(=O)O MCULE-9242342673 [1,0,0,1,0,0|0,0,1]=3 483 B11R1.35 NC(CC1CCOC1)C(=O)O MCULE-2796794328 [1,0,0,1,0,0|1,0,1]=4 484 B11R1.35 NC(CC1CCOC1)C(=O)O MCULE-3511340633 [1,0,0,1,0,0|1,0,1]=4 485 B11R1.35 N[C@@H](CC1=CNC=N1)C(=O)O MCULE-1155454458 [1,0,0,1,0,0|0,0,2]=4 486 B11R1.35 N[C@@H](CC1=CNC=N1)C(=O)O MCULE-4083000888 [1,0,0,1,0,0|0,0,2]=4 487 B11R1.35 N[C@@H](CC1=CNC=N1)C(=O)O MCULE-5599456266 [1,0,0,1,0,0|0,0,2]=4 488 B11R1.35 N[C@@H](CC1=CNC=N1)C(=O)O MCULE-7458236044 [1,0,0,1,0,0|0,0,2]=4 489 B11R1.35 N[C@@H](CC1=CNC=N1)C(=O)O MCULE-9282849595 [1,0,0,1,0,0|0,0,2]=4 490 B11R1.35 N[C@@H](CC1=CNC=N1)C(=O)O MCULE-9753735240 [1,0,0,1,0,0|0,0,2]=4 491 B11R1.35 N[C@@H](CC1CCCC1)C(=O)O MCULE-1482788952 [1,0,0,1,0,0|1,0,1]=4 492 B11R1.35 N[C@@H](CC1CCCC1)C(=O)O MCULE-8118301255 [1,0,0,1,0,0|1,0,1]=4 493 B11R1.35 N[C@@H](CC1CCNC1)C(=O)O MCULE-9017826833 [1,0,0,1,0,0|0,0,1]=3 494 B11R1.35 N[C@@H](CC1CCOC1)C(=O)O MCULE-5950406860 [1,0,0,1,0,0|1,0,1]=4 495 B11R1.35 N[C@@H](CC1CCOC1)C(=O)O MCULE-6688710534 [1,0,0,1,0,0|1,0,1]=4 496 B11R1.35 N[C@@H](CC1CCOC1)C(=O)O MCULE-7951834658 [1,0,0,1,0,0|1,0,1]=4 497 B11R1.35 N[C@H](CC1=CNC=N1)C(=O)O MCULE-2877373266 [1,0,0,1,0,0|0,0,2]=4 498 B11R1.35 N[C@H](CC1=CNC=N1)C(=O)O MCULE-4994851602 [1,0,0,1,0,0|0,0,2]=4 499 B11R1.35 N[C@H](CC1=CNC=N1)C(=O)O MCULE-9609124805 [1,0,0,1,0,0|0,0,2]=4 500 B11R1.35 N[C@H](CC1=NNC=N1)C(=O)O MCULE-2637030444 [1,0,0,1,0,0|1,0,1]=4 501 B11R1.35 N[C@H](CC1CCCC1)C(=O)O MCULE-2021631405 [1,0,0,1,0,0|1,0,1]=4 502 B11R1.35 N[C@H](CC1CCCC1)C(=O)O MCULE-6544324630 [1,0,0,1,0,0|1,0,1]=4 503 B11R1.35 N[C@H](CC1CCNC1)C(=O)O MCULE-1596977678 [1,0,0,1,0,0|0,0,1]=3 504 B11R1.35 N[C@H](CC1CCOC1)C(=O)O MCULE-1362869168 [1,0,0,1,0,0|1,0,1]=4 505 B11R1.36 CC(C(=O)O)C1CCNCC1 MCULE-1056232308 [1,0,0,1,0,0|1,0,1]=4 506 B11R1.36 CC(C(=O)O)C1CCNCC1 MCULE-9936644185 [1,0,0,1,0,0|1,0,1]=4 507 B11R1.36 NC(C(=O)O)C1CC=CCC1 MCULE-8998480466 [1,0,0,1,0,0|1,0,0]=3 508 B11R1.36 NC(C(=O)O)C1CCCCC1 MCULE-1846014205 [1,0,0,1,0,0|1,0,1]=4 509 B11R1.36 NC(C(=O)O)C1CCCCC1 MCULE-2033801873 [1,0,0,1,0,0|1,0,1]=4 510 B11R1.36 NC(C(=O)O)C1CCCCC1 MCULE-4412820367 [1,0,0,1,0,0|1,0,1]=4 511 B11R1.36 NC(C(=O)O)C1CCCCC1 MCULE-6865831162 [1,0,0,1,0,0|1,0,1]=4 512 B11R1.36 NC(C(=O)O)C1CCCNC1 MCULE-5536275038 [1,0,0,1,0,0|2,0,0]=4 513 B11R1.36 NC(C(=O)O)C1CCCOC1 MCULE-6641388094 [1,0,0,1,0,0|2,0,0]=4 514 B11R1.36 NC(C(=O)O)C1CCOCC1 MCULE-3326635011 [1,0,0,1,0,0|1,0,1]=4 515 B11R1.36 NC(C(=O)O)C1CCOCC1 MCULE-5860428330 [1,0,0,1,0,0|1,0,1]=4 516 B11R1.36 NC(C(=O)O)C1CCOCC1 MCULE-9241993616 [1,0,0,1,0,0|1,0,1]=4 517 B11R1.36 N[C@@H](C(=O)O)C1CCCCC1 MCULE-3443210425 [1,0,0,1,0,0|1,0,1]=4 518 B11R1.36 N[C@@H](C(=O)O)C1CCCCC1 MCULE-4731070853 [1,0,0,1,0,0|1,0,1]=4 519 B11R1.36 N[C@@H](C(=O)O)C1CCCCC1 MCULE-6698336499 [1,0,0,1,0,0|1,0,1]=4 520 B11R1.36 N[C@@H](C(=O)O)C1CCCCC1 MCULE-6855404620 [1,0,0,1,0,0|1,0,1]=4 521 B11R1.36 N[C@@H](C(=O)O)C1CCOCC1 MCULE-4067475583 [1,0,0,1,0,0|1,0,1]=4 522 B11R1.36 N[C@@H](C(=O)O)C1CCOCC1 MCULE-4605949678 [1,0,0,1,0,0|1,0,1]=4 523 B11R1.36 N[C@@H](C(=O)O)C1CCOCC1 MCULE-7160845829 [1,0,0,1,0,0|1,0,1]=4 524 B11R1.36 N[C@@H](C(=O)O)C1CCOCC1 MCULE-8127248642 [1,0,0,1,0,0|1,0,1]=4 525 B11R1.36 N[C@H](C(=O)O)C1CCCCC1 MCULE-1545974835 [1,0,0,1,0,0|1,0,1]=4 526 B11R1.36 N[C@H](C(=O)O)C1CCCCC1 MCULE-1933038118 [1,0,0,1,0,0|1,0,1]=4 527 B11R1.36 N[C@H](C(=O)O)C1CCCCC1 MCULE-2164840222 [1,0,0,1,0,0|1,0,1]=4 528 B11R1.36 N[C@H](C(=O)O)C1CCCCC1 MCULE-9858528992 [1,0,0,1,0,0|1,0,1]=4 529 B11R1.36 N[C@H](C(=O)O)C1CCCCC1 MCULE-9914793144 [1,0,0,1,0,0|1,0,1]=4 530 B11R1.36 N[C@H](C(=O)O)C1CCNCC1 MCULE-3998200055 [1,0,0,1,0,0|0,0,1]=3 531 B11R1.36 N[C@H](C(=O)O)C1CCOCC1 MCULE-2693360453 [1,0,0,1,0,0|1,0,1]=4 532 B11R1.36 N[C@H](C(=O)O)C1CCOCC1 MCULE-5518278339 [1,0,0,1,0,0|1,0,1]=4 533 B11R1.36 N[C@H](C(=O)O)C1CCOCC1 MCULE-9024352263 [1,0,0,1,0,0|1,0,1]=4 534 B11R1.36 [C@@H]1(CCCNC1)C(N)C(=O)O MCULE-6149074850 [1,0,0,1,0,0|2,0,0]=4 535 B11R1.36 [C@@H]1(CCCNC1)[C@@H](N)C(=O)O MCULE-7684614655 [1,0,0,1,0,0|2,0,0]=4 536 B11R1.36 [C@@H]1(CCCNC1)[C@H](N)C(=O)O MCULE-3256486770 [1,0,0,1,0,0|2,0,0]=4 537 B11R1.36 [C@H](N)(C(=O)O)C1CCCCC1 MCULE-2416228483 [1,0,0,1,0,0|1,0,1]=4 538 B11R1.36 [C@H]1(CCCNC1)C(N)C(=O)O MCULE-3096261009 [1,0,0,1,0,0|2,0,0]=4 539 B11R1.36 [C@H]1(CCCNC1)[C@@H](N)C(=O)O MCULE-7922011516 [1,0,0,1,0,0|2,0,0]=4 540 B11R1.36 [C@H]1(CCCNC1)[C@H](N)C(=O)O MCULE-6518139620 [1,0,0,1,0,0|2,0,0]=4 541 B11R1.497 O=C1CCCCC(N1)C(=O)O MCULE-3462654668 [1,0,0,1,0,0|2,0,0]=4 542 B11R1.520 CC1(CCCNC1=O)C(=O)O MCULE-2127943120 [1,0,0,1,0,0|2,0,0]=4 543 B11R1.520 CC1CCCCC1(N)C(=O)O MCULE-7674467260 [1,0,0,1,0,0|1,0,1]=4 544 B11R1.706 O=C(O)C1CCC=CCCC1 MCULE-1202438669 [1,0,0,1,0,0|2,0,0]=4 545 B11R1.706 O=C(O)C1CCCCCCN1 MCULE-2852082428 [1,0,0,1,0,0|1,0,1]=4 546 B11R1.706 O=C(O)C1CCCCCCN1 MCULE-2931630393 [1,0,0,1,0,0|1,0,1]=4 547 B11R1.737 NC1(CCCCCC1)C(=O)O MCULE-6498749639 [1,0,0,1,0,0|1,0,1]=4 548 B11R1.737 NC1(CCCNCC1)C(=O)O MCULE-7153988486 [1,0,0,1,0,0|0,0,1]=3 549 B11R1.157 O=C(O)CC1CCCC(=O)C1 MCULE-2070450942 [1,0,0,1,0,0|2,0,0]=4 550 B11R1.157 O=C(O)CC1CCNC(=O)C1 MCULE-3498688720 [1,0,0,1,0,0|1,0,0]=3 551 B11R1.157 O=C(O)CC1CCNC(=O)C1 MCULE-8598228573 [1,0,0,1,0,0|1,0,0]=3 552 B11R1.157 O=C(O)CN1CCNC(=O)C1 MCULE-4021947928 [1,0,0,1,0,0|2,0,0]=4 553 B11R1.157 O=C(O)CN1CCNC(=O)C1 MCULE-8867275494 [1,0,0,1,0,0|2,0,0]=4 554 B11R1.178 CC(=O)N1CCCC1C(=O)N MCULE-3826239589 [1,0,0,1,0,0|2,0,0]=4 555 B11R1.178 CC(=O)N1CCCC1C(=O)O MCULE-1813411528 [1,0,0,1,0,0|1,0,0]=3 556 B11R1.178 CC(=O)N1CCCC1C(=O)O MCULE-9022800854 [1,0,0,1,0,0|1,0,0]=3 557 B11R1.178 CC(=O)N1CCC[C@@H]1C(=O)O MCULE-1405603447 [1,0,0,1,0,0|1,0,0]=3 558 B11R1.178 CC(=O)N1CCC[C@@H]1C(=O)O MCULE-9216589773 [1,0,0,1,0,0|1,0,0]=3 559 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)N MCULE-2667654412 [1,0,0,1,0,0|2,0,0]=4 560 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)N MCULE-3510789923 [1,0,0,1,0,0|2,0,0]=4 561 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)O MCULE-1169221802 [1,0,0,1,0,0|1,0,0]=3 562 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)O MCULE-9915147289 [1,0,0,1,0,0|1,0,0]=3 563 B11R1.178 CC(=O)N1CCS[C@H]1C(=O)O MCULE-1643107830 [1,0,0,1,0,0|2,0,0]=4 564 B11R1.178 CC(=O)N1CSCC1C(=O)O MCULE-6153628068 [1,0,0,1,0,0|2,0,0]=4 565 B11R1.178 CC(=O)N1CSCC1C(=O)O MCULE-9095175540 [1,0,0,1,0,0|2,0,0]=4 566 B11R1.178 CC(=O)N1CSC[C@@H]1C(=O)O MCULE-5248938328 [1,0,0,1,0,0|2,0,0]=4 567 B11R1.178 CC(=O)N1CSC[C@H]1C(=O)O MCULE-4068934366 [1,0,0,1,0,0|2,0,0]=4 568 B11R1.178 CC(=O)N1CSC[C@H]1C(=O)O MCULE-8624310818 [1,0,0,1,0,0|2,0,0]=4 569 B11R1.178 CC(C)N1CCCC1C(=O)O MCULE-2119413242 [1,0,0,1,0,0|1,0,1]=4 570 B11R1.178 CC(C)N1CCCC1C(=O)O MCULE-6929026583 [1,0,0,1,0,0|1,0,1]=4 571 B11R1.178 CC(C)N1CCC[C@@H]1C(=O)O MCULE-8319338511 [1,0,0,1,0,0|1,0,1]=4 572 B11R1.178 CC(C)N1CCC[C@@H]1C(=O)O MCULE-8583036106 [1,0,0,1,0,0|1,0,1]=4 573 B11R1.178 CC(C)N1CCC[C@H]1C(=O)O MCULE-7602604909 [1,0,0,1,0,0|1,0,1]=4 574 B11R1.178 CC(C)N1CCC[C@H]1C(=O)O MCULE-9348214683 [1,0,0,1,0,0|1,0,1]=4 575 B11R1.178 N=C(N)N1CCCC1C(=O)O MCULE-4919079296 [1,0,0,1,0,0|1,0,0]=3 576 B11R1.178 NC(=O)N1CCCC1C(=O)O MCULE-2099814008 [1,0,0,1,0,0|1,0,1]=4 577 B11R1.178 NC(=O)N1CCC[C@H]1C(=O)O MCULE-1581234645 [1,0,0,1,0,0|1,0,1]=4 578 B11R1.178 NC(=O)N1CCC[C@H]1C(=O)O MCULE-2695707693 [1,0,0,1,0,0|1,0,1]=4 579 B11R1.178 NC(=S)N1CCCC1C(=O)O MCULE-7138642484 [1,0,0,1,0,0|1,0,1]=4 580 B11R1.178 O=C(O)[C@@H]1CCCN1C(=O)O MCULE-1970767326 [1,0,0,1,0,0|2,0,0]=4 581 B11R1.80 CC(=O)CC1CC(C(=O)O1)C MCULE-9835948088 [0,0,0,1,1,0|2,0,0]=4 582 B11R1.175 CC(=O)N1CCC(C1)C(=O)O MCULE-5992331860 [0,0,0,1,1,0|2,0,0]=4 583 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]=4 584 B11R1.667 CC1(CCNC(=O)C1)C(=O)O MCULE-9095450827 [0,0,0,1,1,0|2,0,0]=4 585 B11R1.667 CC1CCCC(C1)(N)C(=O)O MCULE-7952794030 [0,0,0,1,1,0|1,0,1]=4 586 B11R1.704 C1(CC1C(=O)O)C(N)C(=O)O MCULE-4575165023 [0,0,0,1,1,0|2,0,0]=4 587 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]=4 588 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]=4 589 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]=4 590 B11R1.1386 CC1(CCCC1(N)C(=O)O)C MCULE-4148753420 [0,0,0,1,1,0|1,0,1]=4 591 B13R1.1060 CC(=O)N1CCOCC(C1)C(=O)O MCULE-6902027439 [0,0,0,1,0,1|2,0,0]=4 592 B13R1.1091 CC(=O)N1CCCCC1(C)C(=O)O MCULE-5551467879 [0,0,0,1,0,1|2,0,0]=4 593 B13R1.543 CCC(=O)N1CCCC(C1)C(=O)O MCULE-3557906429 [0,1,0,1,0,0|2,0,0]=4 594 B13R1.543 COC(=O)C1CCCN(C1)C(=O)C MCULE-6128946547 [0,1,0,1,0,0|2,0,0]=4 595 B13R1.543 COC(=O)N1CCCC(C1)C(=O)O MCULE-8767213772 [0,1,0,1,0,0|2,0,0]=4 596 B13R1.543 O=C(O)C1CCCN(C1)C(=O)CCl MCULE-8000198137 [0,1,0,1,0,0|2,0,0]=4 597 B13R1.1706 COC(=O)N[C@H]1CC[C@H](C1)C(=O)O MCULE-5275202024 [0,1,0,1,0,0|2,0,0]=4 598 B13R1.1706 COC(=O)N[C@H]1CC[C@H](C1)C(=O)O MCULE-8527552819 [0,1,0,1,0,0|2,0,0]=4 599 B13R1.585 CC(=O)NC1CCC(CC1)C(=O)O MCULE-5285238319 [0,1,0,1,0,0|2,0,0]=4 600 B13R1.585 N=C(N)N[C@H]1CC[C@@H](CC1)C(=O)O MCULE-7259110805 [0,1,0,1,0,0|2,0,0]=4 601 B13R1.8652 CC(=O)N1CCCC(CC1)C(=O)O MCULE-8649425362 [0,1,0,1,0,0|2,0,0]=4 602 B13R1.8780 CC(=O)N1CCCC(C1)(C)C(=O)O MCULE-7530002532 [0,1,0,1,0,0|2,0,0]=4 603 B13R2.13672 CC(=O)N1CC2CC2(C1)C(=O)O MCULE-4920092567 [0,0,0,2,0,0|2,0,0]=4 604 B13R2.5083 O=C1CCC2(N1CCC2)C(=O)O MCULE-8473530863 [0,0,0,2,0,0|2,0,0]=4 605 B9R0.7 C(N)(CCC(=O)[O-])C(=O)O MCULE-5359010340 [0,0,0,0,2,0|2,0,0]=4 606 B9R0.7 CC(=CCC(N)C(=O)O)C MCULE-9020150203 [0,0,0,0,2,0|1,0,1]=4 607 B9R0.7 CC(=CC[C@@H](N)C(=O)O)C MCULE-7822845293 [0,0,0,0,2,0|1,0,1]=4 608 B9R0.7 CC(=CC[C@H](N)C(=O)O)C MCULE-6208618845 [0,0,0,0,2,0|1,0,1]=4 609 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-4063734192 [0,0,0,0,2,0|2,0,0]=4 610 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-6252379108 [0,0,0,0,2,0|2,0,0]=4 611 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-6448707862 [0,0,0,0,2,0|2,0,0]=4 612 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-8255582994 [0,0,0,0,2,0|2,0,0]=4 613 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-2377153563 [0,0,0,0,2,0|2,0,0]=4 614 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-2469027462 [0,0,0,0,2,0|2,0,0]=4 615 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-4796013964 [0,0,0,0,2,0|2,0,0]=4 616 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-9408226443 [0,0,0,0,2,0|2,0,0]=4 617 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-1751945139 [0,0,0,0,2,0|2,0,0]=4 618 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-3822387628 [0,0,0,0,2,0|2,0,0]=4 619 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-6052634347 [0,0,0,0,2,0|2,0,0]=4 620 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-6909390355 [0,0,0,0,2,0|2,0,0]=4 621 B9R0.7 CC(=O)SCC(N)C(=O)O MCULE-2891442308 [0,0,0,0,2,0|2,0,0]=4 622 B9R0.7 CC(=O)SCC(N)C(=O)O MCULE-4623851451 [0,0,0,0,2,0|2,0,0]=4 623 B9R0.7 CC(=O)SC[C@H](N)C(=O)O MCULE-1698125004 [0,0,0,0,2,0|2,0,0]=4 624 B9R0.7 CC(=O)SC[C@H](N)C(=O)O MCULE-6046193594 [0,0,0,0,2,0|2,0,0]=4 625 B9R0.7 CC(C)CCC(N)C(=O)O MCULE-1719574078 [0,0,0,0,2,0|1,0,1]=4 626 B9R0.7 CC(C)CCC(N)C(=O)O MCULE-7494642848 [0,0,0,0,2,0|1,0,1]=4 627 B9R0.7 CC(C)CCC(N)C(=O)O MCULE-7934601656 [0,0,0,0,2,0|1,0,1]=4 628 B9R0.7 CC(C)CC[C@@H](N)C(=O)O MCULE-3738071496 [0,0,0,0,2,0|1,0,1]=4 629 B9R0.7 CC(C)CC[C@@H](N)C(=O)O MCULE-6646418122 [0,0,0,0,2,0|1,0,1]=4 630 B9R0.7 CC(C)CC[C@H](N)C(=O)O MCULE-1152840736 [0,0,0,0,2,0|1,0,1]=4 631 B9R0.7 CC(C)CC[C@H](N)C(=O)O MCULE-2931632246 [0,0,0,0,2,0|1,0,1]=4 632 B9R0.7 CC(C)CC[C@H](N)C(=O)O MCULE-6463365282 [0,0,0,0,2,0|1,0,1]=4 633 B9R0.7 CC(C)CC[C@H](N)C(=O)O MCULE-7649870164 [0,0,0,0,2,0|1,0,1]=4 634 B9R0.7 CN(C)CCC(N)C(=O)O MCULE-8874115334 [0,0,0,0,2,0|2,0,0]=4 635 B9R0.7 CN(C)CC[C@H](N)C(=O)O MCULE-7859718042 [0,0,0,0,2,0|2,0,0]=4 636 B9R0.7 CN(C)CC[C@H](N)C(=O)O MCULE-7883746105 [0,0,0,0,2,0|2,0,0]=4 637 B9R0.7 CS(=O)CCC(N)C(=O)O MCULE-2810141962 [0,0,0,0,2,0|2,0,0]=4 638 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-3901672243 [0,0,0,0,2,0|2,0,0]=4 639 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-3967415982 [0,0,0,0,2,0|2,0,0]=4 640 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-6481206030 [0,0,0,0,2,0|2,0,0]=4 641 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-6787807393 [0,0,0,0,2,0|2,0,0]=4 642 B9R0.7 CS(=O)CC[C@H](N)C(=O)O MCULE-1832499155 [0,0,0,0,2,0|2,0,0]=4 643 B9R0.7 C[S+](C)CCC(N)C(=O)O MCULE-1226059178 [0,0,0,0,2,0|2,0,0]=4 644 B9R0.7 C[S+](C)CCC(N)C(=O)O MCULE-2190014040 [0,0,0,0,2,0|2,0,0]=4 645 B9R0.7 C[S+](C)CCC(N)C(=O)O MCULE-5712047901 [0,0,0,0,2,0|2,0,0]=4 646 B9R0.7 C[S+](C)CCC(N)C(=O)O MCULE-6819299220 [0,0,0,0,2,0|2,0,0]=4 647 B9R0.7 C[S+](C)CCC(N)C(=O)O MCULE-9030836699 [0,0,0,0,2,0|2,0,0]=4 648 B9R0.7 C[S+](C)CC[C@@H](N)C(=O)O MCULE-4590755313 [0,0,0,0,2,0|2,0,0]=4 649 B9R0.7 C[S+](C)CC[C@@H](N)C(=O)O MCULE-5450461647 [0,0,0,0,2,0|2,0,0]=4 650 B9R0.7 C[S+](C)CC[C@@H](N)C(=O)O MCULE-6366850762 [0,0,0,0,2,0|2,0,0]=4 651 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O MCULE-1022001641 [0,0,0,0,2,0|2,0,0]=4 652 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O MCULE-2164538601 [0,0,0,0,2,0|2,0,0]=4 653 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O MCULE-4494909498 [0,0,0,0,2,0|2,0,0]=4 654 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O MCULE-6858051266 [0,0,0,0,2,0|2,0,0]=4 655 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O MCULE-7758450855 [0,0,0,0,2,0|2,0,0]=4 656 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O MCULE-8877605547 [0,0,0,0,2,0|2,0,0]=4 657 B9R0.7 N=C(N)NCC(N)C(=O)O MCULE-1177262947 [0,0,0,0,2,0|1,0,0]=3 658 B9R0.7 N=C(N)NCC(N)C(=O)O MCULE-2474644851 [0,0,0,0,2,0|1,0,0]=3 659 B9R0.7 N=C(N)NCC(N)C(=O)O MCULE-5671557476 [0,0,0,0,2,0|1,0,0]=3 660 B9R0.7 N=C(N)NC[C@H](N)C(=O)O MCULE-3050097417 [0,0,0,0,2,0|1,0,0]=3 661 B9R0.7 N=C(N)NC[C@H](N)C(=O)O MCULE-3499032906 [0,0,0,0,2,0|1,0,0]=3 662 B9R0.7 N=C(N)NC[C@H](N)C(=O)O MCULE-4835798272 [0,0,0,0,2,0|1,0,0]=3 663 B9R0.7 N=C(N)NC[C@H](N)C(=O)O MCULE-8355456866 [0,0,0,0,2,0|1,0,0]=3 664 B9R0.7 N=C(N)NC[C@H](N)C(=O)O MCULE-8635327390 [0,0,0,0,2,0|1,0,0]=3 665 B9R0.7 NC(=O)CCC(N)C(=O)O MCULE-1418655814 [0,0,0,0,2,0|1,0,1]=4 666 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O MCULE-7870225738 [0,0,0,0,2,0|1,0,1]=4 667 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O MCULE-9711806580 [0,0,0,0,2,0|1,0,1]=4 668 B9R0.7 NC(=O)CC[C@H](N)C(=O)O MCULE-7234937947 [0,0,0,0,2,0|1,0,1]=4 669 B9R0.7 NC(=O)CC[C@H](N)C(=O)O MCULE-8718820108 [0,0,0,0,2,0|1,0,1]=4 670 B9R0.7 NC(=O)NCC(N)C(=O)O MCULE-4609961006 [0,0,0,0,2,0|1,0,1]=4 671 B9R0.7 NC(=O)NC[C@@H](N)C(=O)O MCULE-7506737023 [0,0,0,0,2,0|1,0,1]=4 672 B9R0.7 NC(=O)NC[C@H](N)C(=O)O MCULE-3123973606 [0,0,0,0,2,0|1,0,1]=4 673 B9R0.7 NC(CCC(=O)O)C(=O)O MCULE-4203507491 [0,0,0,0,2,0|2,0,0]=4 674 B9R0.7 NC(CCC(=O)O)C(=O)O MCULE-4600207704 [0,0,0,0,2,0|2,0,0]=4 675 B9R0.7 NC(CCC(=O)O)C(=O)O MCULE-8107432729 [0,0,0,0,2,0|2,0,0]=4 676 B9R0.7 NC(CCC(=O)[O-])C(=O)O MCULE-5012956158 [0,0,0,0,2,0|2,0,0]=4 677 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-6077524166 [0,0,0,0,2,0|2,0,0]=4 678 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-7201150413 [0,0,0,0,2,0|2,0,0]=4 679 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-7328895736 [0,0,0,0,2,0|2,0,0]=4 680 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-7782530856 [0,0,0,0,2,0|2,0,0]=4 681 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-9447720868 [0,0,0,0,2,0|2,0,0]=4 682 B9R0.7 N[C@@H](CCC(=O)[O-])C(=O)O MCULE-2315425063 [0,0,0,0,2,0|2,0,0]=4 683 B9R0.7 N[C@@H](CCC(=O)[O-])C(=O)O MCULE-4367391999 [0,0,0,0,2,0|2,0,0]=4 684 B9R0.7 N[C@H](CCC(=O)O)C(=O)O MCULE-5884691541 [0,0,0,0,2,0|2,0,0]=4 685 B9R0.7 N[C@H](CCC(=O)O)C(=O)O MCULE-6647836957 [0,0,0,0,2,0|2,0,0]=4 686 B9R0.7 [C@H](N)(CCC(=O)O)C(=O)O MCULE-8526087521 [0,0,0,0,2,0|2,0,0]=4 687 B9R0.7 [C@H](N)(CCS(=O)C)C(=O)O MCULE-2995684872 [0,0,0,0,2,0|2,0,0]=4 688 B11R0.2 CCCCCCC(N)CC(=O)O MCULE-6987665804 [1,0,0,0,0,1|1,0,1]=4 689 B11R0.2 CCCCCCC(N)CC(=O)O MCULE-8299240038 [1,0,0,0,0,1|1,0,1]=4 690 B11R0.30 C=C(C)CCCCCCC(=O)O MCULE-4818988928 [1,0,0,0,0,1|2,0,0]=4 691 B11R0.30 CC(=O)CCCCCCC(=O)O MCULE-6390414263 [1,0,0,0,0,1|2,0,0]=4 692 B11R0.30 CC(=O)NCCCCCC(=O)Cl MCULE-3079585004 [1,0,0,0,0,1|2,0,0]=4 693 B11R0.30 CC(=O)NCCCCCC(=O)O MCULE-2324288602 [1,0,0,0,0,1|1,0,0]=3 694 B11R0.30 CC(=O)NCCCCNC(=O)C MCULE-9435743413 [1,0,0,0,0,1|2,0,0]=4 695 B11R0.30 CC(=O)SCCCCCC(=O)O MCULE-7058924302 [1,0,0,0,0,1|2,0,0]=4 696 B11R0.30 N=C(N)NCCCCCC(=O)O MCULE-3719990664 [1,0,0,0,0,1|1,0,0]=3 697 B11R0.30 N=C(N)NCCCCCC(=O)O MCULE-6681139380 [1,0,0,0,0,1|1,0,0]=3 698 B11R0.30 NC(=O)NCCCCCC(=O)O MCULE-5723327422 [1,0,0,0,0,1|1,0,1]=4 699 B11R0.30 O=C(O)CCCCNCC(=O)O MCULE-2095125616 [1,0,0,0,0,1|2,0,0]=4 700 B11R0.30 O=C(O)CCCCNCC(=O)O MCULE-2375984351 [1,0,0,0,0,1|2,0,0]=4 701 B13R0.180 CC(=N)NCCSCC[C@H](N)C(=O)O MCULE-1504061521 [0,0,0,0,0,2|0,0,0]=2 702 B13R0.180 CC(=N)NCCSCC[C@H](N)C(=O)O MCULE-2897871968 [0,0,0,0,0,2|0,0,0]=2 703 B13R0.180 CC(=N)NCCSCC[C@H](N)C(=O)O MCULE-8651286367 [0,0,0,0,0,2|0,0,0]=2 704 B13R0.180 CC(=N)NCCSCC[C@H](N)C(=O)O MCULE-9288179859 [0,0,0,0,0,2|0,0,0]=2 705 B13R0.180 CC(=O)NCCSCCC(N)C(=O)O MCULE-8007592929 [0,0,0,0,0,2|1,0,0]=3 706 B13R0.180 CN(C)/N=C/NCCCC(N)C(=O)O MCULE-5669439840 [0,0,0,0,0,2|2,0,0]=4 707 B13R0.180 CN(C)/N=C/NCCC[C@H](N)C(=O)O MCULE-8109429110 [0,0,0,0,0,2|2,0,0]=4 708 B13R0.180 N[C@@H](CCCCNCC(=O)O)C(=O)O MCULE-2990158071 [0,0,0,0,0,2|2,0,0]=4 709 B13R0.180 N[C@@H](CCCCNCC(=O)O)C(=O)O MCULE-8044893771 [0,0,0,0,0,2|2,0,0]=4