0 B11R0.29 CC(=CCSC[C@H](N)C(=O)O)C MCULE-5799863579 [0,0,0,0,0,0|3,0,1]=4 1 B11R0.29 CC(=N)NCCC[C@H](N)C(=O)O MCULE-5358658112 [0,0,0,0,0,0|3,0,0]=3 2 B11R0.29 CC(=N)NCCC[C@H](N)C(=O)O MCULE-5606810596 [0,0,0,0,0,0|3,0,0]=3 3 B11R0.29 CC(=N)NCCC[C@H](N)C(=O)O MCULE-7980342928 [0,0,0,0,0,0|3,0,0]=3 4 B11R0.29 CC(=N)NCCC[C@H](N)C(=O)O MCULE-8195408633 [0,0,0,0,0,0|3,0,0]=3 5 B11R0.29 CC(=N)NCCC[C@H](N)C(=O)O MCULE-8216004356 [0,0,0,0,0,0|3,0,0]=3 6 B11R0.29 CC(=O)C(C)CCCCC(=O)O MCULE-7016988868 [0,0,0,0,0,0|2,0,0]=2 7 B11R0.29 CC(=O)NCCCC(N)C(=O)O MCULE-5671867593 [0,0,0,0,0,0|2,0,0]=2 8 B11R0.29 CC(=O)NCCC[C@H](N)C(=O)O MCULE-1987849167 [0,0,0,0,0,0|2,0,0]=2 9 B11R0.29 CC(=O)NCCC[C@H](N)C(=O)O MCULE-5655137268 [0,0,0,0,0,0|2,0,0]=2 10 B11R0.29 CC(=O)NCSCC(N)C(=O)N MCULE-1098301355 [0,0,0,0,0,0|4,0,0]=4 11 B11R0.29 CC(=O)NCSCC(N)C(=O)N MCULE-3518739302 [0,0,0,0,0,0|4,0,0]=4 12 B11R0.29 CC(=O)NCSCC(N)C(=O)O MCULE-1709640374 [0,0,0,0,0,0|3,0,0]=3 13 B11R0.29 CC(=O)NCSCC(N)C(=O)O MCULE-3550759506 [0,0,0,0,0,0|3,0,0]=3 14 B11R0.29 CC(=O)NCSC[C@@H](N)C(=O)O MCULE-6373295824 [0,0,0,0,0,0|3,0,0]=3 15 B11R0.29 CC(=O)NCSC[C@@H](N)C(=O)O MCULE-7013130042 [0,0,0,0,0,0|3,0,0]=3 16 B11R0.29 CC(=O)NCSC[C@@H](N)C(=O)O MCULE-7188611038 [0,0,0,0,0,0|3,0,0]=3 17 B11R0.29 CC(=O)NCSC[C@@H](N)C(=O)O MCULE-8606728410 [0,0,0,0,0,0|3,0,0]=3 18 B11R0.29 CC(=O)NCSC[C@H](N)C(=O)N MCULE-1846985795 [0,0,0,0,0,0|4,0,0]=4 19 B11R0.29 CC(=O)NCSC[C@H](N)C(=O)N MCULE-2934599717 [0,0,0,0,0,0|4,0,0]=4 20 B11R0.29 CC(=O)NCSC[C@H](N)C(=O)N MCULE-3474712900 [0,0,0,0,0,0|4,0,0]=4 21 B11R0.29 CC(=O)NCSC[C@H](N)C(=O)N MCULE-7235564115 [0,0,0,0,0,0|4,0,0]=4 22 B11R0.29 CC(=O)NCSC[C@H](N)C(=O)O MCULE-2695923449 [0,0,0,0,0,0|3,0,0]=3 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|3,0,1]=4 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|3,0,0]=3 34 B11R0.29 N=C(N)NCCCC(N)C(=O)O MCULE-5122302808 [0,0,0,0,0,0|3,0,0]=3 35 B11R0.29 N=C(N)NCCCC(N)C(=O)O MCULE-6153263942 [0,0,0,0,0,0|3,0,0]=3 36 B11R0.29 N=C(N)NCCCC(N)C(=O)O MCULE-9072241723 [0,0,0,0,0,0|3,0,0]=3 37 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)N MCULE-2053250402 [0,0,0,0,0,0|4,0,0]=4 38 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)N MCULE-4188771186 [0,0,0,0,0,0|4,0,0]=4 39 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)N MCULE-8070047581 [0,0,0,0,0,0|4,0,0]=4 40 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)N MCULE-8751936684 [0,0,0,0,0,0|4,0,0]=4 41 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)O MCULE-1262352579 [0,0,0,0,0,0|3,0,0]=3 42 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)O MCULE-3838347198 [0,0,0,0,0,0|3,0,0]=3 43 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)O MCULE-8676148534 [0,0,0,0,0,0|3,0,0]=3 44 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)O MCULE-9872369459 [0,0,0,0,0,0|3,0,0]=3 45 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)N MCULE-2060853069 [0,0,0,0,0,0|4,0,0]=4 46 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)N MCULE-3460042117 [0,0,0,0,0,0|4,0,0]=4 47 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)N MCULE-5810103294 [0,0,0,0,0,0|4,0,0]=4 48 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)N MCULE-7789670505 [0,0,0,0,0,0|4,0,0]=4 49 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O MCULE-1290049418 [0,0,0,0,0,0|3,0,0]=3 50 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O MCULE-4214642097 [0,0,0,0,0,0|3,0,0]=3 51 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O MCULE-5108123240 [0,0,0,0,0,0|3,0,0]=3 52 B11R0.29 N=C(N)NCCC[C@H](O)C(=O)O MCULE-5530430751 [0,0,0,0,0,0|4,0,0]=4 53 B11R0.29 N=C(N)NOCCC(N)C(=O)O MCULE-4434498846 [0,0,0,0,0,0|4,0,0]=4 54 B11R0.29 N=C(N)NOCCC(N)C(=O)O MCULE-8379182275 [0,0,0,0,0,0|4,0,0]=4 55 B11R0.29 N=C(N)NOCC[C@H](N)C(=O)O MCULE-4133667223 [0,0,0,0,0,0|4,0,0]=4 56 B11R0.29 N=C(N)NOCC[C@H](N)C(=O)O MCULE-5293692556 [0,0,0,0,0,0|4,0,0]=4 57 B11R0.29 N=C(N)NOCC[C@H](N)C(=O)O MCULE-5682580831 [0,0,0,0,0,0|4,0,0]=4 58 B11R0.29 N=C(N)NOCC[C@H](N)C(=O)O MCULE-8698650428 [0,0,0,0,0,0|4,0,0]=4 59 B11R0.29 N=C(N)SCCC[C@H](N)C(=O)O MCULE-4923497703 [0,0,0,0,0,0|3,0,0]=3 60 B11R0.29 N=C(N)SCCC[C@H](N)C(=O)O MCULE-6690848404 [0,0,0,0,0,0|3,0,0]=3 61 B11R0.29 N=C(N)SCCC[C@H](N)C(=O)O MCULE-8512874772 [0,0,0,0,0,0|3,0,0]=3 62 B11R0.29 NC(=NCCC[C@H](N)C(=O)O)N MCULE-6159466147 [0,0,0,0,0,0|3,0,0]=3 63 B11R0.29 NC(=O)C(N)CCCN=C(N)N MCULE-5320558657 [0,0,0,0,0,0|4,0,0]=4 64 B11R0.29 NC(=O)C(N)CCCN=C(N)N MCULE-9567284529 [0,0,0,0,0,0|4,0,0]=4 65 B11R0.29 NC(=O)NCCCC(N)C(=O)O MCULE-3107139098 [0,0,0,0,0,0|2,0,0]=2 66 B11R0.29 NC(=O)NCCCC(N)C(=O)O MCULE-9077514633 [0,0,0,0,0,0|2,0,0]=2 67 B11R0.29 NC(=O)NCCCC(N)C(=O)O MCULE-9892421890 [0,0,0,0,0,0|2,0,0]=2 68 B11R0.29 NC(=O)NCCCC(N)C(=O)S MCULE-6427757419 [0,0,0,0,0,0|2,1,0]=3 69 B11R0.29 NC(=O)NCCC[C@@H](N)C(=O)O MCULE-7003128917 [0,0,0,0,0,0|2,0,0]=2 70 B11R0.29 NC(=O)NCCC[C@@H](N)C(=O)O MCULE-9135693560 [0,0,0,0,0,0|2,0,0]=2 71 B11R0.29 NC(=O)NCCC[C@H](N)C(=O)O MCULE-2081339988 [0,0,0,0,0,0|2,0,0]=2 72 B11R0.29 NC(=O)NCCC[C@H](N)C(=O)O MCULE-5380647071 [0,0,0,0,0,0|2,0,0]=2 73 B11R0.29 NC(=O)NCCC[C@H](N)C(=O)O MCULE-5746772887 [0,0,0,0,0,0|2,0,0]=2 74 B11R0.29 NC(=S)NCCC[C@H](N)C(=O)O MCULE-9458174752 [0,0,0,0,0,0|2,1,0]=3 75 B11R0.29 NC(CCCCC(=O)O)C(=O)O MCULE-2486712857 [0,0,0,0,0,0|0,0,0]=0 76 B11R0.29 NC(CSCCB(O)O)C(=O)O MCULE-7425052021 [0,0,0,0,0,0|2,0,1]=3 77 B11R0.29 NC(CSCCB(O)O)C(=O)O MCULE-8991194580 [0,0,0,0,0,0|2,0,1]=3 78 B11R0.29 NC(CSCCC(=O)O)C(=O)O MCULE-1817232859 [0,0,0,0,0,0|1,0,0]=1 79 B11R0.29 N[C@@H](CCCCB(O)O)C(=O)O MCULE-3187192569 [0,0,0,0,0,0|1,0,1]=2 80 B11R0.29 N[C@@H](CCCCB(O)O)C(=O)O MCULE-7635800556 [0,0,0,0,0,0|1,0,1]=2 81 B11R0.29 N[C@@H](CCCCB(O)O)C(=O)O MCULE-7716159403 [0,0,0,0,0,0|1,0,1]=2 82 B11R0.29 N[C@@H](CCCCB(O)O)C(=O)O MCULE-8309654000 [0,0,0,0,0,0|1,0,1]=2 83 B11R0.29 N[C@@H](CCCCC(=O)O)C(=O)O MCULE-3457014875 [0,0,0,0,0,0|0,0,0]=0 84 B11R0.29 N[C@@H](CCCCC(=O)O)C(=O)O MCULE-4557682979 [0,0,0,0,0,0|0,0,0]=0 85 B11R0.29 N[C@@H](CSCCB(O)O)C(=O)O MCULE-1378566517 [0,0,0,0,0,0|2,0,1]=3 86 B11R0.29 N[C@@H](CSCCB(O)O)C(=O)O MCULE-2158139364 [0,0,0,0,0,0|2,0,1]=3 87 B11R0.29 N[C@@H](CSCCB(O)O)C(=O)O MCULE-8839722581 [0,0,0,0,0,0|2,0,1]=3 88 B11R0.29 N[C@@H](CSCCB(O)O)C(=O)O MCULE-8903543883 [0,0,0,0,0,0|2,0,1]=3 89 B11R0.29 N[C@@H](CSCCC(=O)O)C(=O)O MCULE-2469874774 [0,0,0,0,0,0|1,0,0]=1 90 B11R0.29 N[C@@H](CSCCC(=O)O)C(=O)O MCULE-8976065741 [0,0,0,0,0,0|1,0,0]=1 91 B11R0.29 N[C@H](CCCCC(=O)O)C(=O)O MCULE-7148013181 [0,0,0,0,0,0|0,0,0]=0 92 B11R0.29 N[C@H](CCCCC(=O)O)C(=O)O MCULE-8965199592 [0,0,0,0,0,0|0,0,0]=0 93 B11R0.29 N[C@H](CSCCC(=O)O)C(=O)O MCULE-5217293992 [0,0,0,0,0,0|1,0,0]=1 94 B11R0.29 O=C(O)CCCCC(=O)C(=O)O MCULE-2399783714 [0,0,0,0,0,0|1,0,1]=2 95 B11R0.29 [C@H](N)(CCCNC(=N)N)C(=O)O MCULE-3794564775 [0,0,0,0,0,0|3,0,0]=3 96 B11R0.29 [C@H](N)(CSCNC(=O)C)C(=O)O MCULE-5543687296 [0,0,0,0,0,0|3,0,0]=3 97 B11R0.29 [C@H](N)(CSCNC(=O)C)C(=O)O MCULE-9668621656 [0,0,0,0,0,0|3,0,0]=3 98 B11R0.29 [C@H]([NH3+])(CSCNC(=O)C)C(=O)O MCULE-9323832704 [0,0,0,0,0,0|3,0,1]=4 99 B10R0.55 CCC(C)CCCCC(=O)O MCULE-5735580085 [1,0,0,0,0,0|2,0,1]=4 100 B10R0.55 NC(=O)NCCC[C@H](N)CO MCULE-3843882509 [1,0,0,0,0,0|2,0,1]=4 101 B10R0.55 NC(=O)NCCC[C@H](N)CO MCULE-6658263929 [1,0,0,0,0,0|2,0,1]=4 102 B10R0.75 C=CCCCCC(N)C(=O)O MCULE-9003674294 [1,0,0,0,0,0|1,0,0]=2 103 B10R0.75 C=CCCCC[C@@H](N)C(=O)O MCULE-5424595854 [1,0,0,0,0,0|1,0,0]=2 104 B10R0.75 C=CCCCC[C@@H](N)C(=O)O MCULE-7894205841 [1,0,0,0,0,0|1,0,0]=2 105 B10R0.75 C=CCCCC[C@H](N)C(=O)O MCULE-6386840550 [1,0,0,0,0,0|1,0,0]=2 106 B10R0.75 C=CCCCC[C@H](N)C(=O)O MCULE-8206632491 [1,0,0,0,0,0|1,0,0]=2 107 B10R0.75 C=CCSSC[C@H](N)C(=O)O MCULE-8012244687 [1,0,0,0,0,0|3,0,0]=4 108 B10R0.75 CCCCCCC(Br)C(=O)O MCULE-3532642872 [1,0,0,0,0,0|2,0,1]=4 109 B10R0.75 CCCCCCC(C)C(=O)O MCULE-6664640382 [1,0,0,0,0,0|2,0,1]=4 110 B10R0.75 CCCCCCC(F)C(=O)O MCULE-3865739259 [1,0,0,0,0,0|2,0,1]=4 111 B10R0.75 CCCCCCC(N)C(=O)O MCULE-2527731470 [1,0,0,0,0,0|1,0,1]=3 112 B10R0.75 CCCCCCC(N)C(=O)O MCULE-5498377990 [1,0,0,0,0,0|1,0,1]=3 113 B10R0.75 CCCCCCC(O)C(=O)O MCULE-1679305682 [1,0,0,0,0,0|2,0,1]=4 114 B10R0.75 CCCCCC[C@@H](N)C(=O)O MCULE-9163680563 [1,0,0,0,0,0|1,0,1]=3 115 B10R0.75 CCCCCC[C@@H](N)C(=O)O MCULE-9959237270 [1,0,0,0,0,0|1,0,1]=3 116 B10R0.75 CCCCCC[C@H](N)C(=O)O MCULE-6660531044 [1,0,0,0,0,0|1,0,1]=3 117 B10R0.75 CCCCCC[C@H](N)C(=O)O MCULE-7151037911 [1,0,0,0,0,0|1,0,1]=3 118 B10R0.75 CCCCSC[C@@H](N)C(=O)O MCULE-8737283640 [1,0,0,0,0,0|2,0,1]=4 119 B10R0.75 CCCCSC[C@H](N)C(=O)O MCULE-5383064231 [1,0,0,0,0,0|2,0,1]=4 120 B10R0.75 CNCCCCC(N)C(=O)O MCULE-5703952072 [1,0,0,0,0,0|2,0,0]=3 121 B10R0.75 CNCCCCC(N)C(=O)O MCULE-8267439974 [1,0,0,0,0,0|2,0,0]=3 122 B10R0.75 CNCCCC[C@H](N)C(=O)O MCULE-4130643324 [1,0,0,0,0,0|2,0,0]=3 123 B10R0.75 CNCCCC[C@H](N)C(=O)O MCULE-5394599260 [1,0,0,0,0,0|2,0,0]=3 124 B10R0.75 CNCCCC[C@H](N)C(=O)O MCULE-6328038825 [1,0,0,0,0,0|2,0,0]=3 125 B10R0.75 CNCCCC[C@H](N)C(=O)O MCULE-6736060504 [1,0,0,0,0,0|2,0,0]=3 126 B10R0.75 COCCSCC(N)C(=O)O MCULE-1808987613 [1,0,0,0,0,0|3,0,0]=4 127 B10R0.75 N#CCCSCC(N)C(=O)O MCULE-3478080944 [1,0,0,0,0,0|2,0,1]=4 128 B10R0.75 NC(CCNCC=O)C(=O)O MCULE-6659524915 [1,0,0,0,0,0|1,0,0]=2 129 B10R0.75 NC(CSCCCO)C(=O)O MCULE-6250464318 [1,0,0,0,0,0|1,0,1]=3 130 B10R0.75 NCCCCC[C@@H](N)C(=O)O MCULE-7846811170 [1,0,0,0,0,0|1,0,1]=3 131 B10R0.75 NCCCCC[C@@H](N)C(=O)O MCULE-8562914837 [1,0,0,0,0,0|1,0,1]=3 132 B10R0.75 NCCCCC[C@H](N)C(=O)O MCULE-4522889843 [1,0,0,0,0,0|1,0,1]=3 133 B10R0.75 NCCCCC[C@H](N)C(=O)O MCULE-9026496023 [1,0,0,0,0,0|1,0,1]=3 134 B10R0.75 NCCCSC[C@H](N)C(=O)O MCULE-9670718396 [1,0,0,0,0,0|2,0,1]=4 135 B10R0.75 NCCC[Se]C[C@H](N)C(=O)O MCULE-4318104451 [1,0,0,0,0,0|2,0,1]=4 136 B10R0.75 N[C@@H](CCSCCO)C(=O)O MCULE-2974080305 [1,0,0,0,0,0|1,0,1]=3 137 B10R0.75 N[C@@H](CSCCCO)C(=O)O MCULE-1323141415 [1,0,0,0,0,0|1,0,1]=3 138 B10R0.75 N[C@@H](CSCCCO)C(=O)O MCULE-8256841743 [1,0,0,0,0,0|1,0,1]=3 139 B10R0.75 N[C@@H](CSSCCO)C(=O)O MCULE-7717227685 [1,0,0,0,0,0|2,0,1]=4 140 B10R0.75 [N-]=[N+]=NCCC[C@@H](N)C(=O)O MCULE-2902827107 [1,0,0,0,0,0|3,0,0]=4 141 B10R0.75 [N-]=[N+]=NCCC[C@H](N)C(=O)O MCULE-6058924639 [1,0,0,0,0,0|3,0,0]=4 142 B10R0.75 [N-]=[N+]=NCCC[C@H](N)C(=O)O MCULE-6632469133 [1,0,0,0,0,0|3,0,0]=4 143 B10R0.75 [N-]=[N+]=NCCC[C@H](N)C(=O)O MCULE-7192387796 [1,0,0,0,0,0|3,0,0]=4 144 B10R0.97 C=C(Br)CCCCCC(=O)O MCULE-1129581582 [1,0,0,0,0,0|2,0,0]=3 145 B10R0.97 C=C(C)CCCCCC(=O)O MCULE-6091105789 [1,0,0,0,0,0|2,0,0]=3 146 B10R0.97 C=C(Cl)CCCCCC(=O)O MCULE-6548751857 [1,0,0,0,0,0|2,0,0]=3 147 B10R0.97 CC(=CCCCCC(=O)O)C MCULE-6679290438 [1,0,0,0,0,0|2,0,1]=4 148 B10R0.97 CC(=O)CCCCCC(=O)Cl MCULE-9699420066 [1,0,0,0,0,0|2,0,0]=3 149 B10R0.97 CC(=O)CCCCCC(=O)O MCULE-4488400468 [1,0,0,0,0,0|1,0,0]=2 150 B10R0.97 CC(=O)NCCCCC(=O)O MCULE-6323800073 [1,0,0,0,0,0|2,0,0]=3 151 B10R0.97 CC(=O)NCCOCC(=O)O MCULE-8156973678 [1,0,0,0,0,0|3,0,0]=4 152 B10R0.97 CC(=O)NCSCCC(=O)O MCULE-1672994332 [1,0,0,0,0,0|3,0,0]=4 153 B10R0.97 CC(C)CCCCCC(=O)O MCULE-6934503036 [1,0,0,0,0,0|2,0,1]=4 154 B10R0.97 CC(O)CCCCCC(=O)O MCULE-8533691013 [1,0,0,0,0,0|1,0,1]=3 155 B10R0.97 CN(C)CCCCCC(=O)O MCULE-1002014230 [1,0,0,0,0,0|3,0,0]=4 156 B10R0.97 CN(C)CCCCCC(=O)O MCULE-2670396647 [1,0,0,0,0,0|3,0,0]=4 157 B10R0.97 N=C(N)NCCCCC(=O)O MCULE-2807872503 [1,0,0,0,0,0|3,0,0]=4 158 B10R0.97 N=C(N)SCCCCC(=O)O MCULE-6602460811 [1,0,0,0,0,0|3,0,0]=4 159 B10R0.97 NC(=O)CCSCCC(=O)N MCULE-6169485438 [1,0,0,0,0,0|3,0,0]=4 160 B10R0.97 NC(=O)NCCCCC(=O)O MCULE-1121500109 [1,0,0,0,0,0|2,0,0]=3 161 B10R0.97 NC(=[NH2+])SCCCCC(=O)O MCULE-4252972328 [1,0,0,0,0,0|3,0,0]=4 162 B10R0.97 O=C(Cl)CCCCCC(=O)Cl MCULE-6184277171 [1,0,0,0,0,0|2,0,0]=3 163 B10R0.97 O=C(O)CCCCCC(=O)O MCULE-9618389016 [1,0,0,0,0,0|0,0,0]=1 164 B10R0.97 O=C(O)CCCCCC(F)F MCULE-9302536317 [1,0,0,0,0,0|2,0,1]=4 165 B10R0.97 O=C(O)CCCCCN(=O)=O MCULE-4861594242 [1,0,0,0,0,0|1,0,1]=3 166 B10R0.97 O=C(O)CCCCON(=O)=O MCULE-6522646680 [1,0,0,0,0,0|2,0,1]=4 167 B10R0.97 O=C(O)CCNCCC(=O)O MCULE-9497656945 [1,0,0,0,0,0|1,0,0]=2 168 B10R0.97 O=C(O)CCOCCC(=O)O MCULE-3213537394 [1,0,0,0,0,0|1,0,0]=2 169 B10R0.97 O=C(O)CCSCCC(=O)O MCULE-1300073378 [1,0,0,0,0,0|1,0,0]=2 170 B10R0.97 O=C(O)CSCSCC(=O)O MCULE-7223873834 [1,0,0,0,0,0|2,0,0]=3 171 B12R0.86 COC(=O)C(N)CCCNC(=N)N MCULE-5000268586 [0,1,0,0,0,0|3,0,0]=4 172 B12R0.86 COC(=O)C(N)CCCNC(=O)N MCULE-3252838346 [0,1,0,0,0,0|2,0,0]=3 173 B12R0.86 COC(=O)[C@@H](N)CCCNC(=N)N MCULE-2986619830 [0,1,0,0,0,0|3,0,0]=4 174 B12R0.86 COC(=O)[C@@H](N)CCCNC(=N)N MCULE-6061371144 [0,1,0,0,0,0|3,0,0]=4 175 B12R0.86 COC(=O)[C@@H](N)CCCNC(=N)N MCULE-7173257489 [0,1,0,0,0,0|3,0,0]=4 176 B12R0.86 COC(=O)[C@@H](N)CCCNC(=N)N MCULE-7536983454 [0,1,0,0,0,0|3,0,0]=4 177 B12R0.86 COC(=O)[C@@H](N)CCCNC(=N)N MCULE-7555090022 [0,1,0,0,0,0|3,0,0]=4 178 B12R0.86 COC(=O)[C@@H](N)CCCNC(=O)N MCULE-5249311648 [0,1,0,0,0,0|2,0,0]=3 179 B12R0.86 COC(=O)[C@@H](N)CCCNC(=O)N MCULE-6644204781 [0,1,0,0,0,0|2,0,0]=3 180 B12R0.86 COC(=O)[C@H](N)CCCNC(=N)N MCULE-4290297534 [0,1,0,0,0,0|3,0,0]=4 181 B12R0.86 COC(=O)[C@H](N)CCCNC(=N)N MCULE-4345388880 [0,1,0,0,0,0|3,0,0]=4 182 B12R0.86 COC(=O)[C@H](N)CCCNC(=N)N MCULE-5054794948 [0,1,0,0,0,0|3,0,0]=4 183 B12R0.86 COC(=O)[C@H](N)CCCNC(=N)N MCULE-8949099168 [0,1,0,0,0,0|3,0,0]=4 184 B12R0.86 CSC(=O)[C@@H](N)CCCNC(=O)N MCULE-3142055425 [0,1,0,0,0,0|2,1,0]=4 185 B12R0.86 CSC(=O)[C@@H](N)CCCNC(=O)N MCULE-6193058345 [0,1,0,0,0,0|2,1,0]=4 186 B12R0.86 CSC(=O)[C@@H](N)CCCNC(=O)N MCULE-6954166742 [0,1,0,0,0,0|2,1,0]=4 187 B12R0.86 CSC(=O)[C@@H](N)CCCNC(=O)N MCULE-7859691382 [0,1,0,0,0,0|2,1,0]=4 188 B12R0.139 CC(NC(=O)CCC(=O)O)C(=O)O MCULE-3728027711 [0,1,0,0,0,0|2,0,1]=4 189 B12R0.139 NC(CC(=O)NCC(=O)O)C(=O)O MCULE-3722590501 [0,1,0,0,0,0|1,0,1]=3 190 B12R0.139 N[C@@H](CC(=O)NCC(=O)O)C(=O)O MCULE-5859277015 [0,1,0,0,0,0|1,0,1]=3 191 B12R0.186 C/N=C(\N)/NCCC[C@@H](N)C(=O)O MCULE-1121225078 [0,1,0,0,0,0|3,0,0]=4 192 B12R0.186 C/N=C(\N)/NCCC[C@@H](N)C(=O)O MCULE-2907641468 [0,1,0,0,0,0|3,0,0]=4 193 B12R0.186 C/N=C(\N)/NCCC[C@H](N)C(=O)O MCULE-2729068755 [0,1,0,0,0,0|3,0,0]=4 194 B12R0.186 C/N=C(\N)/NCCC[C@H](N)C(=O)O MCULE-7531846873 [0,1,0,0,0,0|3,0,0]=4 195 B12R0.186 CCC(=N)NCCC[C@H](N)C(=O)O MCULE-5572284521 [0,1,0,0,0,0|3,0,0]=4 196 B12R0.186 CCC(=N)NCCC[C@H](N)C(=O)O MCULE-9860243160 [0,1,0,0,0,0|3,0,0]=4 197 B12R0.186 CNC(=N)NCCCC(N)C(=O)O MCULE-3120898540 [0,1,0,0,0,0|3,0,0]=4 198 B12R0.186 CNC(=N)NCCCC(N)C(=O)O MCULE-3301375059 [0,1,0,0,0,0|3,0,0]=4 199 B12R0.186 CNC(=N)NCCC[C@H](N)C(=O)O MCULE-1797380040 [0,1,0,0,0,0|3,0,0]=4 200 B12R0.186 CNC(=N)NCCC[C@H](N)C(=O)O MCULE-2048487137 [0,1,0,0,0,0|3,0,0]=4 201 B12R0.186 CNC(=N)NCCC[C@H](N)C(=O)O MCULE-4043013639 [0,1,0,0,0,0|3,0,0]=4 202 B12R0.186 CNC(=N)NCCC[C@H](N)C(=O)O MCULE-7261766442 [0,1,0,0,0,0|3,0,0]=4 203 B12R0.186 CS/C(=N\CCC[C@H](N)C(=O)O)/N MCULE-7775622185 [0,1,0,0,0,0|2,1,0]=4 204 B12R0.186 CSC(=N)NCCC[C@H](N)C(=O)O MCULE-5223449899 [0,1,0,0,0,0|2,1,0]=4 205 B12R0.186 CSC(=N)NCCC[C@H](N)C(=O)O MCULE-7858319216 [0,1,0,0,0,0|2,1,0]=4 206 B12R0.186 N=C(NN)NCCC[C@H](N)C(=O)O MCULE-2418194249 [0,1,0,0,0,0|3,0,0]=4 207 B12R0.186 N=C(NN)NCCC[C@H](N)C(=O)O MCULE-6985568991 [0,1,0,0,0,0|3,0,0]=4 208 B12R0.186 N=C(NO)NCCC[C@H](N)C(=O)O MCULE-1051612567 [0,1,0,0,0,0|2,0,0]=3 209 B12R0.186 N=C(NO)NCCC[C@H](N)C(=O)O MCULE-1231852000 [0,1,0,0,0,0|2,0,0]=3 210 B12R0.238 CCC(NCCCC(=O)O)C(=O)O MCULE-4648933282 [0,1,0,0,0,0|2,0,0]=3 211 B12R0.238 CCC(NCCCC(=O)O)C(=O)O MCULE-8765195520 [0,1,0,0,0,0|2,0,0]=3 212 B12R0.238 CN[C@@H](CCCNC(=N)N)C(=O)O MCULE-1167157550 [0,1,0,0,0,0|3,0,0]=4 213 B12R0.238 CN[C@@H](CCCNC(=N)N)C(=O)O MCULE-2963335078 [0,1,0,0,0,0|3,0,0]=4 214 B12R0.238 CN[C@@H](CCCNC(=N)N)C(=O)O MCULE-5560203385 [0,1,0,0,0,0|3,0,0]=4 215 B12R0.238 CN[C@@H](CCCNC(=N)N)C(=O)O MCULE-8602495389 [0,1,0,0,0,0|3,0,0]=4 216 B12R0.238 NC(=O)C(=NO)CCCCC(=O)O MCULE-8502884613 [0,1,0,0,0,0|1,0,2]=4 217 B12R0.264 C[N+](C)(C)CCCC[C@H](N)C(=O)O MCULE-3247491876 [0,1,0,0,0,0|3,0,0]=4 218 B12R0.264 C[N+](C)(C)CCCC[C@H](N)C(=O)O MCULE-9954823613 [0,1,0,0,0,0|3,0,0]=4 219 B12R0.264 NC(CC=CCP(=O)(O)O)C(=O)O MCULE-8957718744 [0,1,0,0,0,0|1,0,2]=4 220 B12R0.264 NC(CCCCP(=O)(O)O)C(=O)O MCULE-4265556920 [0,1,0,0,0,0|1,0,0]=2 221 B12R0.264 [C@H](N)(CCCCP(=O)(O)O)C(=O)O MCULE-3135079588 [0,1,0,0,0,0|1,0,0]=2 222 B12R0.627 CC(CSCC(N)C(=O)O)C(=O)O MCULE-8019160796 [0,1,0,0,0,0|1,0,0]=2 223 B12R0.627 CC(CSC[C@H](N)C(=O)O)C(=O)O MCULE-1141812385 [0,1,0,0,0,0|1,0,0]=2 224 B12R0.627 CC(CSC[C@H](N)C(=O)O)C(=O)O MCULE-8490230025 [0,1,0,0,0,0|1,0,0]=2 225 B12R0.627 CC(SCSC(C)C(=O)O)C(=O)O MCULE-2283321003 [0,1,0,0,0,0|3,0,0]=4 226 B12R0.627 NC(CCCC(N)C(=O)O)C(=O)O MCULE-5199298661 [0,1,0,0,0,0|0,0,0]=1 227 B12R0.627 NC(CSCC(N)C(=O)O)C(=O)O MCULE-7420458378 [0,1,0,0,0,0|1,0,0]=2 228 B12R0.627 N[C@@H](CCC[C@@H](N)C(=O)O)C(=O)O MCULE-5816483960 [0,1,0,0,0,0|0,0,0]=1 229 B12R0.627 N[C@@H](CCC[C@H](N)C(=O)O)C(=O)O MCULE-1778670578 [0,1,0,0,0,0|0,0,0]=1 230 B12R0.627 N[C@@H](CCC[C@H](N)C(=O)O)C(=O)O MCULE-9178941791 [0,1,0,0,0,0|0,0,0]=1 231 B12R0.627 N[C@@H](CSC[C@H](N)C(=O)O)C(=O)O MCULE-1932719723 [0,1,0,0,0,0|1,0,0]=2 232 B12R0.627 N[C@@H](CSC[C@H](N)C(=O)O)C(=O)O MCULE-3341203729 [0,1,0,0,0,0|1,0,0]=2 233 B12R0.627 N[C@@H](C[Se]C[C@H](N)C(=O)O)C(=O)O MCULE-1101588173 [0,1,0,0,0,0|1,0,0]=2 234 B12R0.627 O=C(O)C(O)SCSC(O)C(=O)O MCULE-9583670044 [0,1,0,0,0,0|3,0,0]=4 235 B12R0.687 CC(=O)NC(=O)CCC(N)C(=O)O MCULE-2604827857 [0,1,0,0,0,0|2,0,1]=4 236 B12R0.687 CC(=O)NC(=O)CC[C@H](N)C(=O)O MCULE-5226244303 [0,1,0,0,0,0|2,0,1]=4 237 B12R0.687 CC(=O)NC(=O)CC[C@H](N)C(=O)O MCULE-6434591285 [0,1,0,0,0,0|2,0,1]=4 238 B12R0.692 O=C(O)CCCCC(F)(F)C(=O)O MCULE-1731217275 [0,1,0,0,0,0|1,0,0]=2 239 B12R1.225 CC1CCCC(C1)C(N)C(=O)O MCULE-7804039697 [0,0,0,1,0,0|2,0,1]=4 240 B12R1.258 CC(=O)N1CCCC(C1)C(=O)O MCULE-2326703264 [0,0,0,1,0,0|3,0,0]=4 241 B12R1.258 CC(=O)N1CCC[C@@H](C1)C(=O)O MCULE-2720998952 [0,0,0,1,0,0|3,0,0]=4 242 B12R1.258 CC(=O)N1CCC[C@@H](C1)C(=O)O MCULE-4356837818 [0,0,0,1,0,0|3,0,0]=4 243 B12R1.258 CC(=O)N1CCC[C@H](C1)C(=O)O MCULE-4379891928 [0,0,0,1,0,0|3,0,0]=4 244 B12R1.258 CC(=O)N1CCC[C@H](C1)C(=O)O MCULE-8013678613 [0,0,0,1,0,0|3,0,0]=4 245 B12R1.258 NC(=O)C1CCCC(C1)C(=O)O MCULE-2730743019 [0,0,0,1,0,0|2,0,0]=3 246 B12R1.258 NC(=O)C1CCC[C@@H](C1)C(=O)O MCULE-6377571763 [0,0,0,1,0,0|2,0,0]=3 247 B12R1.258 NC(=O)N1CCCC(C1)C(=O)O MCULE-6020689201 [0,0,0,1,0,0|3,0,0]=4 248 B12R1.258 NC(=O)N1CCCC(C1)C(=O)O MCULE-6379077809 [0,0,0,1,0,0|3,0,0]=4 249 B12R1.258 O=C(Cl)C1CCCC(C1)C(=O)Cl MCULE-8205315067 [0,0,0,1,0,0|3,0,0]=4 250 B12R1.258 O=C(O)C1=CSCC(N1)C(=O)O MCULE-3571330151 [0,0,0,1,0,0|1,0,2]=4 251 B12R1.258 O=C(O)C1CCCC(C1)C(=O)O MCULE-7196171464 [0,0,0,1,0,0|1,0,0]=2 252 B12R1.258 O=C(O)C1CCCC(N1)C(=O)O MCULE-1816268674 [0,0,0,1,0,0|0,0,0]=1 253 B12R1.258 O=C(O)C1CCNC(C1)C(=O)O MCULE-5359047625 [0,0,0,1,0,0|2,0,0]=3 254 B12R1.258 O=C(O)C1CN(CCO1)C(=O)O MCULE-2737322968 [0,0,0,1,0,0|3,0,0]=4 255 B12R1.258 O=C(O)C1CNCC(C1)C(=O)O MCULE-2177789382 [0,0,0,1,0,0|2,0,0]=3 256 B12R1.258 O=C(O)[C@@H]1CCC[C@@H](N1)C(=O)O MCULE-3140137492 [0,0,0,1,0,0|0,0,0]=1 257 B12R1.258 O=C(O)[C@@H]1CCC[C@H](C1)C(=O)O MCULE-4449782615 [0,0,0,1,0,0|1,0,0]=2 258 B12R1.258 O=C(O)[C@@H]1CCC[C@H](C1)C(=O)O MCULE-8158708245 [0,0,0,1,0,0|1,0,0]=2 259 B12R1.258 O=C(O)[C@@H]1CNC[C@@H](C1)C(=O)O MCULE-1278208764 [0,0,0,1,0,0|2,0,0]=3 260 B12R1.258 O=C(O)[C@H]1CCC[C@@H](C1)C(=O)O MCULE-2075996893 [0,0,0,1,0,0|1,0,0]=2 261 B12R1.258 O=C(O)[C@H]1CCC[C@@H](C1)C(=O)O MCULE-2751748723 [0,0,0,1,0,0|1,0,0]=2 262 B12R1.258 O=C(O)[C@H]1CCC[C@@H](C1)C(=O)O MCULE-9442455281 [0,0,0,1,0,0|1,0,0]=2 263 B12R1.258 O=C(O)[C@H]1CCC[C@H](C1)C(=O)O MCULE-3306746591 [0,0,0,1,0,0|1,0,0]=2 264 B12R1.258 O=C(O)[C@H]1CCN[C@H](C1)C(=O)O MCULE-6924240838 [0,0,0,1,0,0|2,0,0]=3 265 B12R1.1056 CC1([C@H](C[C@H]1CCC(=O)O)N)C MCULE-7470982887 [0,0,0,1,0,0|2,0,1]=4 266 B12R1.1056 CC1([C@H](C[C@H]1CCC(=O)O)N)C MCULE-8555476878 [0,0,0,1,0,0|2,0,1]=4 267 B12R1.1388 CC(=O)N1CCCC1(C)C(=O)O MCULE-1907207934 [0,0,0,1,0,0|3,0,0]=4 268 B12R1.1388 CC(=O)N1CCC[C@]1(C)C(=O)O MCULE-3679005256 [0,0,0,1,0,0|3,0,0]=4 269 B12R1.1388 CC(=O)N1CCC[C@]1(C)C(=O)O MCULE-5226979290 [0,0,0,1,0,0|3,0,0]=4 270 B12R1.2709 CC1(CCCCC(=O)N1)C(=O)O MCULE-4375736331 [0,0,0,1,0,0|2,0,0]=3 271 B10R0.98 CC(=O)CCCC(C)C(=O)O MCULE-5760169093 [0,0,0,0,1,0|2,0,0]=3 272 B10R0.98 CC(=O)N(C)CCCC(=O)O MCULE-1764265267 [0,0,0,0,1,0|3,0,0]=4 273 B10R0.98 CC(=O)NCC[C@H](N)C(=O)O MCULE-5384056558 [0,0,0,0,1,0|2,0,0]=3 274 B10R0.98 CC(=O)NCC[C@H](N)C(=O)O MCULE-9151560319 [0,0,0,0,1,0|2,0,0]=3 275 B10R0.98 CC(=O)OCCC(N)C(=O)O MCULE-7691334763 [0,0,0,0,1,0|2,0,0]=3 276 B10R0.98 CC(=O)OCCC(N)C(=O)O MCULE-9993433450 [0,0,0,0,1,0|2,0,0]=3 277 B10R0.98 CC(=O)OCC[C@H](N)C(=O)O MCULE-5425852779 [0,0,0,0,1,0|2,0,0]=3 278 B10R0.98 CC(=O)OCC[C@H](N)C(=O)O MCULE-6909234177 [0,0,0,0,1,0|2,0,0]=3 279 B10R0.98 CC(C)CCCC(N)C(=O)O MCULE-5699505174 [0,0,0,0,1,0|2,0,1]=4 280 B10R0.98 CC(C)CCCC(N)C(=O)O MCULE-8151358815 [0,0,0,0,1,0|2,0,1]=4 281 B10R0.98 CC(C)CCC[C@H](N)C(=O)O MCULE-3341158972 [0,0,0,0,1,0|2,0,1]=4 282 B10R0.98 CC(C)CCC[C@H](N)C(=O)O MCULE-6452147303 [0,0,0,0,1,0|2,0,1]=4 283 B10R0.98 CC(CCCC(=O)Cl)C(=O)Cl MCULE-7532082954 [0,0,0,0,1,0|3,0,0]=4 284 B10R0.98 CN(C)CCC[C@H](N)C(=O)O MCULE-9481059271 [0,0,0,0,1,0|3,0,0]=4 285 B10R0.98 N=C(N)NCCC(N)C(=O)O MCULE-2234773343 [0,0,0,0,1,0|3,0,0]=4 286 B10R0.98 N=C(N)NCCC(N)C(=O)O MCULE-9635728361 [0,0,0,0,1,0|3,0,0]=4 287 B10R0.98 N=C(N)NCC[C@H](N)C(=O)O MCULE-5360635274 [0,0,0,0,1,0|3,0,0]=4 288 B10R0.98 N=C(N)NCC[C@H](N)C(=O)O MCULE-7633853490 [0,0,0,0,1,0|3,0,0]=4 289 B10R0.98 NC(CCCC(=O)O)C(=O)O MCULE-3021567253 [0,0,0,0,1,0|0,0,0]=1 290 B10R0.98 NC(CCCC(=O)O)C(=O)O MCULE-7434229402 [0,0,0,0,1,0|0,0,0]=1 291 B10R0.98 NC(CCCC(=O)O)C(=O)O MCULE-8474963048 [0,0,0,0,1,0|0,0,0]=1 292 B10R0.98 NC(CSCC(=O)O)C(=O)O MCULE-1997609241 [0,0,0,0,1,0|1,0,0]=2 293 B10R0.98 N[C@@H](CCCC(=O)O)C(=O)O MCULE-1991686030 [0,0,0,0,1,0|0,0,0]=1 294 B10R0.98 N[C@@H](CCCC(=O)O)C(=O)O MCULE-6053925503 [0,0,0,0,1,0|0,0,0]=1 295 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O MCULE-3291004829 [0,0,0,0,1,0|1,0,0]=2 296 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O MCULE-3828091379 [0,0,0,0,1,0|1,0,0]=2 297 B10R0.98 N[C@H](CCCC(=O)O)C(=O)O MCULE-3179500404 [0,0,0,0,1,0|0,0,0]=1 298 B10R0.98 N[C@H](CCCC(=O)O)C(=O)O MCULE-9722366772 [0,0,0,0,1,0|0,0,0]=1 299 B10R0.98 O=C(O)CCCC(=O)C(=O)O MCULE-5978557881 [0,0,0,0,1,0|1,0,1]=3 300 B10R0.98 O=C(O)CCCC(O)C(=O)O MCULE-5970708862 [0,0,0,0,1,0|1,0,0]=2 301 B10R0.98 O=C(O)CCC[C@H](O)C(=O)O MCULE-4157551693 [0,0,0,0,1,0|1,0,0]=2 302 B10R0.98 O=C([O-])CCCC(O)C(=O)[O-] MCULE-7990606586 [0,0,0,0,1,0|1,0,2]=4 303 B12R0.42 C/C(=N/CCCC[C@H](N)C(=O)O)/N MCULE-7878147954 [0,0,0,0,0,1|2,0,0]=3 304 B12R0.42 CC(=N)NCCCCC(N)C(=O)O MCULE-2748186789 [0,0,0,0,0,1|2,0,0]=3 305 B12R0.42 CC(=N)NCCCCC(N)C(=O)O MCULE-6164256302 [0,0,0,0,0,1|2,0,0]=3 306 B12R0.42 CC(=N)NCCCC[C@H](N)C(=O)O MCULE-2218386265 [0,0,0,0,0,1|2,0,0]=3 307 B12R0.42 CC(=N)NCCCC[C@H](N)C(=O)O MCULE-5581195825 [0,0,0,0,0,1|2,0,0]=3 308 B12R0.42 CC(=N)NCCCC[C@H](N)C(=O)O MCULE-8004298113 [0,0,0,0,0,1|2,0,0]=3 309 B12R0.42 CC(=O)C(C)CCCCCC(=O)O MCULE-9391199319 [0,0,0,0,0,1|2,0,0]=3 310 B12R0.42 CC(=O)CCCCCC(N)C(=O)O MCULE-8560922815 [0,0,0,0,0,1|1,0,0]=2 311 B12R0.42 CC(=O)CCCCCC(N)C(=O)O MCULE-9405826819 [0,0,0,0,0,1|1,0,0]=2 312 B12R0.42 CC(=O)NCCCCC(N)C(=O)O MCULE-4363164306 [0,0,0,0,0,1|1,0,0]=2 313 B12R0.42 CC(=O)NCCCCC(N)C(=O)O MCULE-7418953050 [0,0,0,0,0,1|1,0,0]=2 314 B12R0.42 CC(=O)NCCCC[C@@H](N)C(=O)O MCULE-2826730309 [0,0,0,0,0,1|1,0,0]=2 315 B12R0.42 CC(=O)NCCCC[C@H](N)C(=O)O MCULE-2500699001 [0,0,0,0,0,1|1,0,0]=2 316 B12R0.42 CC(=O)NCCCC[C@H](N)C(=O)O MCULE-2747158053 [0,0,0,0,0,1|1,0,0]=2 317 B12R0.42 CC(=O)NCCCC[C@H](N)C(=O)O MCULE-8086021811 [0,0,0,0,0,1|1,0,0]=2 318 B12R0.42 CC(=O)NCCCC[C@H](N)C(=O)O MCULE-9503615061 [0,0,0,0,0,1|1,0,0]=2 319 B12R0.42 CC(C)NCCCCC(N)C(=O)O MCULE-4725150112 [0,0,0,0,0,1|2,0,1]=4 320 B12R0.42 CC(C)NCCCC[C@H](N)C(=O)O MCULE-1146954302 [0,0,0,0,0,1|2,0,1]=4 321 B12R0.42 N=C(N)NCCCCC(N)C(=O)O MCULE-1114934644 [0,0,0,0,0,1|2,0,0]=3 322 B12R0.42 N=C(N)NCCCCC(N)C(=O)O MCULE-4078920174 [0,0,0,0,0,1|2,0,0]=3 323 B12R0.42 N=C(N)NCCCC[C@@H](N)C(=O)O MCULE-1049518743 [0,0,0,0,0,1|2,0,0]=3 324 B12R0.42 N=C(N)NCCCC[C@@H](N)C(=O)O MCULE-4108646118 [0,0,0,0,0,1|2,0,0]=3 325 B12R0.42 N=C(N)NCCCC[C@@H](N)C(=O)O MCULE-4835018951 [0,0,0,0,0,1|2,0,0]=3 326 B12R0.42 N=C(N)NCCCC[C@@H](N)C(=O)O MCULE-5471188514 [0,0,0,0,0,1|2,0,0]=3 327 B12R0.42 N=C(N)NCCCC[C@H](N)C(=O)O MCULE-1726271138 [0,0,0,0,0,1|2,0,0]=3 328 B12R0.42 N=C(N)NCCCC[C@H](N)C(=O)O MCULE-2352708400 [0,0,0,0,0,1|2,0,0]=3 329 B12R0.42 N=C(N)NCCCC[C@H](N)C(=O)O MCULE-6794898094 [0,0,0,0,0,1|2,0,0]=3 330 B12R0.42 N=C(N)NCCCC[C@H](N)C(=O)O MCULE-7371205614 [0,0,0,0,0,1|2,0,0]=3 331 B12R0.42 NC(=O)NCCCCC(N)C(=O)O MCULE-5422005056 [0,0,0,0,0,1|1,0,0]=2 332 B12R0.42 NC(=O)NCCCCC(N)C(=O)O MCULE-6598703304 [0,0,0,0,0,1|1,0,0]=2 333 B12R0.42 NC(=O)NCCCC[C@@H](N)C(=O)O MCULE-6382139330 [0,0,0,0,0,1|1,0,0]=2 334 B12R0.42 NC(=O)NCCCC[C@@H](N)C(=O)O MCULE-7025106309 [0,0,0,0,0,1|1,0,0]=2 335 B12R0.42 NC(=O)NCCCC[C@H](N)C(=O)O MCULE-7636320216 [0,0,0,0,0,1|1,0,0]=2 336 B12R0.42 NC(=O)NCCCC[C@H](N)C(=O)O MCULE-7719006708 [0,0,0,0,0,1|1,0,0]=2 337 B12R0.42 NC(CCCCCC(=O)O)C(=O)O MCULE-7949829956 [0,0,0,0,0,1|0,0,0]=1 338 B12R0.42 NC(CSCCCC(=O)O)C(=O)O MCULE-6552348472 [0,0,0,0,0,1|0,0,0]=1 339 B12R0.42 N[C@@H](CCCCCC(=O)O)C(=O)O MCULE-2069821066 [0,0,0,0,0,1|0,0,0]=1 340 B12R0.42 N[C@@H](CCCCCC(=O)O)C(=O)O MCULE-3495032122 [0,0,0,0,0,1|0,0,0]=1 341 B12R0.42 N[C@@H](CSCCCC(=O)O)C(=O)O MCULE-1221416102 [0,0,0,0,0,1|0,0,0]=1 342 B12R0.42 N[C@@H](CSCCCC(=O)O)C(=O)O MCULE-2038684739 [0,0,0,0,0,1|0,0,0]=1 343 B12R0.42 N[C@H](CCCCCC(=O)O)C(=O)O MCULE-2692259414 [0,0,0,0,0,1|0,0,0]=1 344 B12R0.42 N[C@H](CCCCCC(=O)O)C(=O)O MCULE-6806526657 [0,0,0,0,0,1|0,0,0]=1 345 B12R0.42 O=C(O)CCCCCC(=O)C(=O)O MCULE-9194508818 [0,0,0,0,0,1|1,0,1]=3 346 B12R0.42 [C@@H](N)(CCCCNC(=O)C)C(=O)O MCULE-9387648281 [0,0,0,0,0,1|1,0,0]=2 347 B12R0.270 CC(=O)NCCC[C@@H](N)CC(=O)O MCULE-4886618146 [0,0,0,0,0,1|2,0,0]=3 348 B12R0.270 N=C(N)NCCC[C@@H](N)CC(=O)O MCULE-3804537269 [0,0,0,0,0,1|3,0,0]=4 349 B9R0.2 C#CCCCCCC(=O)O MCULE-4594227399 [2,0,0,0,0,0|1,0,1]=4 350 B9R0.2 C=CCCCCCC(=O)C MCULE-7133840219 [2,0,0,0,0,0|2,0,0]=4 351 B9R0.2 C=CCCCCCC(=O)O MCULE-6571932731 [2,0,0,0,0,0|1,0,0]=3 352 B9R0.2 C=CCOCCCC(=O)O MCULE-5276221892 [2,0,0,0,0,0|2,0,0]=4 353 B9R0.2 CCCCCCCC(=O)O MCULE-5193957469 [2,0,0,0,0,0|1,0,1]=4 354 B9R0.2 CNCCCCCC(=O)O MCULE-8016435275 [2,0,0,0,0,0|2,0,0]=4 355 B9R0.2 COCCCCCC(=O)O MCULE-1769987918 [2,0,0,0,0,0|2,0,0]=4 356 B9R0.2 CSCCCCCC(=O)O MCULE-9069370044 [2,0,0,0,0,0|2,0,0]=4 357 B9R0.2 C[NH2+]CCCCCC(=O)O MCULE-8971339830 [2,0,0,0,0,0|2,0,0]=4 358 B9R0.2 N#CCCCCCC(=O)O MCULE-6510846674 [2,0,0,0,0,0|1,0,1]=4 359 B9R0.2 NC(=O)CCCCCCO MCULE-7432797193 [2,0,0,0,0,0|1,0,1]=4 360 B9R0.2 NCCCCCCC(=O)O MCULE-6089872609 [2,0,0,0,0,0|1,0,1]=4 361 B9R0.2 NCCCCCCC(=O)O MCULE-7769232328 [2,0,0,0,0,0|1,0,1]=4 362 B9R0.2 NOCCCCCC(=O)O MCULE-3221083368 [2,0,0,0,0,0|2,0,0]=4 363 B9R0.2 NOCCCCCC(=O)O MCULE-6721085396 [2,0,0,0,0,0|2,0,0]=4 364 B9R0.2 NOCCCCCC(=O)O MCULE-7170875932 [2,0,0,0,0,0|2,0,0]=4 365 B9R0.2 O=C(O)CCCCCCBr MCULE-3980379488 [2,0,0,0,0,0|1,0,1]=4 366 B9R0.2 O=C(O)CCCCCCF MCULE-7539264820 [2,0,0,0,0,0|1,0,1]=4 367 B9R0.2 O=C(O)CCCCCCO MCULE-7270362706 [2,0,0,0,0,0|0,0,1]=3 368 B9R0.2 O=C(O)CCCCCCS MCULE-5659986053 [2,0,0,0,0,0|0,1,1]=4 369 B9R0.2 O=C(O)CCCNCCO MCULE-8202070706 [2,0,0,0,0,0|1,0,1]=4 370 B9R0.2 O=C(O)CNCCCCO MCULE-6377863888 [2,0,0,0,0,0|1,0,1]=4 371 B9R0.2 O=CCCCCCC(=O)O MCULE-1442157793 [2,0,0,0,0,0|0,0,0]=2 372 B9R0.55 C=C(Br)CCCCC(=O)O MCULE-9413125657 [2,0,0,0,0,0|1,0,1]=4 373 B9R0.55 C=C(C)CCCCC(=O)O MCULE-2837812117 [2,0,0,0,0,0|1,0,1]=4 374 B9R0.55 C=C(Cl)CCCCC(=O)O MCULE-6161023222 [2,0,0,0,0,0|1,0,1]=4 375 B9R0.55 CC(=O)CCCCC(=O)O MCULE-6216368990 [2,0,0,0,0,0|1,0,1]=4 376 B9R0.55 CC(C)CCCCC(=O)O MCULE-9552597130 [2,0,0,0,0,0|1,0,1]=4 377 B9R0.55 CC(N)CCCCC(=O)O MCULE-3306602652 [2,0,0,0,0,0|0,0,1]=3 378 B9R0.55 CC(N)CCCCC(=O)O MCULE-3909320120 [2,0,0,0,0,0|0,0,1]=3 379 B9R0.55 NC(=O)CCCCC(=O)N MCULE-7701704987 [2,0,0,0,0,0|1,0,1]=4 380 B9R0.55 NC(=O)CCCCC(=O)O MCULE-6793890356 [2,0,0,0,0,0|0,0,1]=3 381 B9R0.55 NC(=O)CSCCC(=O)O MCULE-5092203912 [2,0,0,0,0,0|1,0,1]=4 382 B9R0.55 NC(=O)NCCCC(=O)O MCULE-4986363363 [2,0,0,0,0,0|1,0,1]=4 383 B9R0.55 O=C(O)CCCCC(=O)O MCULE-1336748609 [2,0,0,0,0,0|1,0,1]=4 384 B9R0.55 O=C(O)CCCCC(=O)O MCULE-3664126855 [2,0,0,0,0,0|1,0,1]=4 385 B9R0.55 O=C(O)CCCCC(=O)O MCULE-6331125687 [2,0,0,0,0,0|1,0,1]=4 386 B9R0.55 O=C(O)CCCCC(=O)O MCULE-7006255210 [2,0,0,0,0,0|1,0,1]=4 387 B9R0.55 O=C(O)CCCCC(=O)O MCULE-7155960751 [2,0,0,0,0,0|1,0,1]=4 388 B9R0.55 O=C(O)CCCCC(F)F MCULE-4491962830 [2,0,0,0,0,0|2,0,0]=4 389 B9R0.55 O=C([O-])CCCCC(=O)O MCULE-3513522562 [2,0,0,0,0,0|1,0,1]=4 390 B9R0.55 O=C([O-])CCCCC(=O)O MCULE-5232497586 [2,0,0,0,0,0|1,0,1]=4 391 B9R0.55 O=C([O-])CCCCC(=O)O MCULE-9724137457 [2,0,0,0,0,0|1,0,1]=4 392 B9R0.47 C#CCCC[C@@H](N)C(=O)O MCULE-1522125822 [2,0,0,0,0,0|0,0,2]=4 393 B9R0.47 C#CCCC[C@@H](N)C(=O)O MCULE-2184948430 [2,0,0,0,0,0|0,0,2]=4 394 B9R0.47 C#CCCC[C@H](N)C(=O)O MCULE-3478575968 [2,0,0,0,0,0|0,0,2]=4 395 B9R0.47 C#CCCC[C@H](N)C(=O)O MCULE-5307313414 [2,0,0,0,0,0|0,0,2]=4 396 B9R0.47 C(N)(CCCCN)C(=O)O MCULE-7060791798 [2,0,0,0,0,0|1,0,0]=3 397 B9R0.47 C=CCCCC(N)C(=O)O MCULE-3707920281 [2,0,0,0,0,0|0,0,1]=3 398 B9R0.47 C=CCCCC(N)C(=O)O MCULE-5939027667 [2,0,0,0,0,0|0,0,1]=3 399 B9R0.47 C=CCCCC(N)C(=O)O MCULE-6095387409 [2,0,0,0,0,0|0,0,1]=3 400 B9R0.47 C=CCCC[C@@H](N)C(=O)O MCULE-2101628204 [2,0,0,0,0,0|0,0,1]=3 401 B9R0.47 C=CCCC[C@@H](N)C(=O)O MCULE-7328150693 [2,0,0,0,0,0|0,0,1]=3 402 B9R0.47 C=CCCC[C@H](N)C(=O)O MCULE-1162071877 [2,0,0,0,0,0|0,0,1]=3 403 B9R0.47 C=CCCC[C@H](N)C(=O)O MCULE-7245809917 [2,0,0,0,0,0|0,0,1]=3 404 B9R0.47 C=CCSCC(N)C(=O)O MCULE-6058548878 [2,0,0,0,0,0|1,0,1]=4 405 B9R0.47 C=CCSCC(N)C(=O)O MCULE-9209051108 [2,0,0,0,0,0|1,0,1]=4 406 B9R0.47 C=CCSC[C@@H](N)C(=O)O MCULE-8305031365 [2,0,0,0,0,0|1,0,1]=4 407 B9R0.47 C=CCSC[C@@H](N)C(=O)O MCULE-9911064679 [2,0,0,0,0,0|1,0,1]=4 408 B9R0.47 C=CCSC[C@H](N)C(=O)O MCULE-8106938913 [2,0,0,0,0,0|1,0,1]=4 409 B9R0.47 C=CCSC[C@H](N)C(=O)O MCULE-8215284816 [2,0,0,0,0,0|1,0,1]=4 410 B9R0.47 C=CCSC[C@H](N)C(=O)O MCULE-9415243514 [2,0,0,0,0,0|1,0,1]=4 411 B9R0.47 C=CSCC[C@H](N)C(=O)O MCULE-2736074137 [2,0,0,0,0,0|1,0,1]=4 412 B9R0.47 CCCCCC(C)C(=O)O MCULE-3831811055 [2,0,0,0,0,0|1,0,1]=4 413 B9R0.47 CCCCCC(N)C(=O)O MCULE-5558679374 [2,0,0,0,0,0|0,0,1]=3 414 B9R0.47 CCCCCC(N)C(=O)O MCULE-8607576790 [2,0,0,0,0,0|0,0,1]=3 415 B9R0.47 CCCCCC(O)C(=O)O MCULE-4151749430 [2,0,0,0,0,0|1,0,1]=4 416 B9R0.47 CCCCC[C@@H](N)C(=O)O MCULE-3981603450 [2,0,0,0,0,0|0,0,1]=3 417 B9R0.47 CCCCC[C@@H](N)C(=O)O MCULE-6090735433 [2,0,0,0,0,0|0,0,1]=3 418 B9R0.47 CCCCC[C@H](N)C(=O)O MCULE-8108024359 [2,0,0,0,0,0|0,0,1]=3 419 B9R0.47 CCCCC[C@H](N)C(=O)O MCULE-9961773652 [2,0,0,0,0,0|0,0,1]=3 420 B9R0.47 CCCSCC(N)C(=O)O MCULE-1465196294 [2,0,0,0,0,0|1,0,1]=4 421 B9R0.47 CCCSCC(N)C(=O)O MCULE-2196835186 [2,0,0,0,0,0|1,0,1]=4 422 B9R0.47 CCCSC[C@H](N)C(=O)O MCULE-2274873569 [2,0,0,0,0,0|1,0,1]=4 423 B9R0.47 CCNCCC(N)C(=O)O MCULE-8873123795 [2,0,0,0,0,0|1,0,1]=4 424 B9R0.47 CCSCCC(N)C(=O)O MCULE-8503033566 [2,0,0,0,0,0|1,0,1]=4 425 B9R0.47 CCSCCC(N)C(=O)O MCULE-9465623190 [2,0,0,0,0,0|1,0,1]=4 426 B9R0.47 CCSCC[C@@H](N)C(=O)O MCULE-2836325620 [2,0,0,0,0,0|1,0,1]=4 427 B9R0.47 CCSCC[C@H](N)C(=O)O MCULE-6614300528 [2,0,0,0,0,0|1,0,1]=4 428 B9R0.47 CC[Se]CCC(N)C(=O)O MCULE-7426703933 [2,0,0,0,0,0|1,0,1]=4 429 B9R0.47 NC(CCCCO)C(=O)O MCULE-7372730935 [2,0,0,0,0,0|0,0,0]=2 430 B9R0.47 NC(CSCCO)C(=O)O MCULE-9765321939 [2,0,0,0,0,0|1,0,0]=3 431 B9R0.47 NCCCCC(N)C(=O)N MCULE-5695768231 [2,0,0,0,0,0|2,0,0]=4 432 B9R0.47 NCCCCC(N)C(=O)N MCULE-8502146041 [2,0,0,0,0,0|2,0,0]=4 433 B9R0.47 NCCCCC(N)C(=O)O MCULE-1411873021 [2,0,0,0,0,0|1,0,0]=3 434 B9R0.47 NCCCCC(N)C(=O)O MCULE-1436032977 [2,0,0,0,0,0|1,0,0]=3 435 B9R0.47 NCCCCC(N)C(=O)O MCULE-5737537430 [2,0,0,0,0,0|1,0,0]=3 436 B9R0.47 NCCCCC(N)C(=O)O MCULE-6537319758 [2,0,0,0,0,0|1,0,0]=3 437 B9R0.47 NCCCCC(N)C(=O)O MCULE-9665753367 [2,0,0,0,0,0|1,0,0]=3 438 B9R0.47 NCCCC[C@@H](N)C(=O)O MCULE-2051883110 [2,0,0,0,0,0|1,0,0]=3 439 B9R0.47 NCCCC[C@@H](N)C(=O)O MCULE-2174845427 [2,0,0,0,0,0|1,0,0]=3 440 B9R0.47 NCCCC[C@@H](N)C(=O)O MCULE-7229907816 [2,0,0,0,0,0|1,0,0]=3 441 B9R0.47 NCCCC[C@@H](N)C(=O)O MCULE-7646209988 [2,0,0,0,0,0|1,0,0]=3 442 B9R0.47 NCCCC[C@H](N)C(=O)N MCULE-2490465776 [2,0,0,0,0,0|2,0,0]=4 443 B9R0.47 NCCCC[C@H](N)C(=O)N MCULE-5523101334 [2,0,0,0,0,0|2,0,0]=4 444 B9R0.47 NCCCC[C@H](N)C(=O)N MCULE-7682920289 [2,0,0,0,0,0|2,0,0]=4 445 B9R0.47 NCCCC[C@H](N)C(=O)N MCULE-9381942600 [2,0,0,0,0,0|2,0,0]=4 446 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-1814780282 [2,0,0,0,0,0|1,0,0]=3 447 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-2585671029 [2,0,0,0,0,0|1,0,0]=3 448 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-2735109468 [2,0,0,0,0,0|1,0,0]=3 449 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-3226089160 [2,0,0,0,0,0|1,0,0]=3 450 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-4736099943 [2,0,0,0,0,0|1,0,0]=3 451 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-5602916309 [2,0,0,0,0,0|1,0,0]=3 452 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-5669080418 [2,0,0,0,0,0|1,0,0]=3 453 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-5771120494 [2,0,0,0,0,0|1,0,0]=3 454 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-6467055628 [2,0,0,0,0,0|1,0,0]=3 455 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-7268734331 [2,0,0,0,0,0|1,0,0]=3 456 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-7702716758 [2,0,0,0,0,0|1,0,0]=3 457 B9R0.47 NCCCC[C@H]([NH3+])C(=O)O MCULE-1421201563 [2,0,0,0,0,0|1,0,1]=4 458 B9R0.47 NCCOCC(N)C(=O)O MCULE-7224841130 [2,0,0,0,0,0|2,0,0]=4 459 B9R0.47 NCCOCC(N)C(=O)O MCULE-7654083918 [2,0,0,0,0,0|2,0,0]=4 460 B9R0.47 NCCOC[C@H](N)C(=O)O MCULE-4415047402 [2,0,0,0,0,0|2,0,0]=4 461 B9R0.47 NCCOC[C@H](N)C(=O)O MCULE-4663780920 [2,0,0,0,0,0|2,0,0]=4 462 B9R0.47 NCCOC[C@H](N)C(=O)O MCULE-4696145098 [2,0,0,0,0,0|2,0,0]=4 463 B9R0.47 NCCOC[C@H](N)C(=O)O MCULE-9286897415 [2,0,0,0,0,0|2,0,0]=4 464 B9R0.47 NCCSCC(N)C(=O)O MCULE-5256853681 [2,0,0,0,0,0|2,0,0]=4 465 B9R0.47 NCCSCC(N)C(=O)O MCULE-7420723141 [2,0,0,0,0,0|2,0,0]=4 466 B9R0.47 NCCSCC(N)C(=O)O MCULE-9409306380 [2,0,0,0,0,0|2,0,0]=4 467 B9R0.47 NCCSC[C@H](N)C(=O)O MCULE-3159724083 [2,0,0,0,0,0|2,0,0]=4 468 B9R0.47 NCCSC[C@H](N)C(=O)O MCULE-4836746198 [2,0,0,0,0,0|2,0,0]=4 469 B9R0.47 NCCSC[C@H](N)C(=O)O MCULE-6032940560 [2,0,0,0,0,0|2,0,0]=4 470 B9R0.47 NCCSC[C@H](N)C(=O)O MCULE-6994785146 [2,0,0,0,0,0|2,0,0]=4 471 B9R0.47 NCC[Se]C[C@H](N)C(=O)O MCULE-1630938680 [2,0,0,0,0,0|2,0,0]=4 472 B9R0.47 N[C@@H](CCCCO)C(=O)O MCULE-1855458643 [2,0,0,0,0,0|0,0,0]=2 473 B9R0.47 N[C@@H](CCCCO)C(=O)O MCULE-3280637244 [2,0,0,0,0,0|0,0,0]=2 474 B9R0.47 N[C@@H](CCCNO)C(=O)O MCULE-2690192301 [2,0,0,0,0,0|1,0,0]=3 475 B9R0.47 N[C@@H](CCCNO)C(=O)O MCULE-8331389811 [2,0,0,0,0,0|1,0,0]=3 476 B9R0.47 N[C@@H](CCCNO)C(=O)O MCULE-9071251692 [2,0,0,0,0,0|1,0,0]=3 477 B9R0.47 N[C@@H](CCCNO)C(=O)O MCULE-9613387165 [2,0,0,0,0,0|1,0,0]=3 478 B9R0.47 N[C@@H](CCSN=O)C(=O)O MCULE-6471102114 [2,0,0,0,0,0|2,0,0]=4 479 B9R0.47 N[C@@H](CSCCO)C(=O)O MCULE-4219102659 [2,0,0,0,0,0|1,0,0]=3 480 B9R0.47 N[C@H](CSCCO)C(=O)O MCULE-6379323435 [2,0,0,0,0,0|1,0,0]=3 481 B9R0.47 O=C(O)C(Br)CCCCBr MCULE-9265332965 [2,0,0,0,0,0|2,0,0]=4 482 B9R0.47 [C@@H](N)(CCCCN)C(=O)O MCULE-2676284364 [2,0,0,0,0,0|1,0,0]=3 483 B9R0.47 [C@@H](N)(CCCCN)C(=O)O MCULE-3536027321 [2,0,0,0,0,0|1,0,0]=3 484 B9R0.47 [C@H](N)(CCNCC)C(=O)O MCULE-8327043663 [2,0,0,0,0,0|1,0,1]=4 485 B11R0.176 O=C(O)CCCCC(O)CCO MCULE-6457534836 [1,1,0,0,0,0|1,0,1]=4 486 B11R0.42 C=CCCCCCC(N)C(=O)O MCULE-1162188913 [1,1,0,0,0,0|1,0,0]=3 487 B11R0.42 C=CCCCCCC(N)C(=O)O MCULE-3131667346 [1,1,0,0,0,0|1,0,0]=3 488 B11R0.42 C=CCCCCCC(N)C(=O)O MCULE-4888632865 [1,1,0,0,0,0|1,0,0]=3 489 B11R0.42 C=CCCCCC[C@@H](N)C(=O)O MCULE-5391769158 [1,1,0,0,0,0|1,0,0]=3 490 B11R0.42 C=CCCCCC[C@@H](N)C(=O)O MCULE-5861402789 [1,1,0,0,0,0|1,0,0]=3 491 B11R0.42 C=CCCCCC[C@@H](N)C(=O)O MCULE-8081984411 [1,1,0,0,0,0|1,0,0]=3 492 B11R0.42 C=CCCCCC[C@@H](N)C(=O)O MCULE-8137198974 [1,1,0,0,0,0|1,0,0]=3 493 B11R0.42 C=CCCCCC[C@H](N)C(=O)O MCULE-1233544353 [1,1,0,0,0,0|1,0,0]=3 494 B11R0.42 C=CCCCCC[C@H](N)C(=O)O MCULE-3790089576 [1,1,0,0,0,0|1,0,0]=3 495 B11R0.42 C=CCCCCC[C@H](N)C(=O)O MCULE-8748986273 [1,1,0,0,0,0|1,0,0]=3 496 B11R0.42 C=CCCCCC[C@H](N)C(=O)O MCULE-9105977293 [1,1,0,0,0,0|1,0,0]=3 497 B11R0.42 C=CCCCCOC(C)C(=O)O MCULE-8528579246 [1,1,0,0,0,0|2,0,0]=4 498 B11R0.42 C=CCCCCO[C@H](C)C(=O)O MCULE-4315372330 [1,1,0,0,0,0|2,0,0]=4 499 B11R0.42 C=CCCCCO[C@H](C)C(=O)O MCULE-9381984847 [1,1,0,0,0,0|2,0,0]=4 500 B11R0.42 CCCCCCCC(N)C(=O)O MCULE-4518631723 [1,1,0,0,0,0|1,0,1]=4 501 B11R0.42 CCCCCCC[C@@H](N)C(=O)O MCULE-7367412741 [1,1,0,0,0,0|1,0,1]=4 502 B11R0.42 CCCCCCC[C@H](N)C(=O)O MCULE-4025079053 [1,1,0,0,0,0|1,0,1]=4 503 B11R0.42 CCCCCCC[C@H](N)C(=O)O MCULE-4061410149 [1,1,0,0,0,0|1,0,1]=4 504 B11R0.42 CCCCSCCC(N)C(=O)O MCULE-9943276345 [1,1,0,0,0,0|1,0,1]=4 505 B11R0.42 CCCCSCC[C@@H](N)C(=O)O MCULE-5947369888 [1,1,0,0,0,0|1,0,1]=4 506 B11R0.42 CCCCSCC[C@H](N)C(=O)O MCULE-6636715475 [1,1,0,0,0,0|1,0,1]=4 507 B11R0.42 NC(CCCCNC=O)C(=O)O MCULE-1951015462 [1,1,0,0,0,0|0,0,0]=2 508 B11R0.42 N[C@@H](CCCCN=[N+]=[N-])C(=O)O MCULE-1235238069 [1,1,0,0,0,0|2,0,0]=4 509 B11R0.42 N[C@@H](CCCCNC=O)C(=O)O MCULE-4391601903 [1,1,0,0,0,0|0,0,0]=2 510 B11R0.42 N[C@@H](CCCCNC=O)C(=O)O MCULE-4927440935 [1,1,0,0,0,0|0,0,0]=2 511 B11R0.42 [N-]=[N+]=NCCCC[C@@H](N)C(=O)O MCULE-4439689174 [1,1,0,0,0,0|2,0,0]=4 512 B11R0.42 [N-]=[N+]=NCCCC[C@H](N)C(=O)O MCULE-2268932366 [1,1,0,0,0,0|2,0,0]=4 513 B11R0.42 [N-]=[N+]=NCCCC[C@H](N)C(=O)O MCULE-5050271888 [1,1,0,0,0,0|2,0,0]=4 514 B11R0.42 [N-]=[N+]=NCCCC[C@H](N)C(=O)O MCULE-5569498677 [1,1,0,0,0,0|2,0,0]=4 515 B11R0.76 CCCCCCC(NC)C(=O)O MCULE-7287509088 [1,1,0,0,0,0|1,0,1]=4 516 B11R0.125 C=CCCCC[C@@](C)(N)C(=O)O MCULE-6510689748 [1,1,0,0,0,0|1,0,0]=3 517 B11R0.125 C=CCCCC[C@](C)(N)C(=O)O MCULE-8447084960 [1,1,0,0,0,0|1,0,0]=3 518 B11R0.125 CCCCCCC(C)(N)C(=O)O MCULE-1741748079 [1,1,0,0,0,0|1,0,1]=4 519 B11R0.142 CCCCCC[C@H](N)C(=O)OC MCULE-1398170037 [1,1,0,0,0,0|1,0,1]=4 520 B11R0.142 CCCCCC[C@H](N)C(=O)OC MCULE-3295480977 [1,1,0,0,0,0|1,0,1]=4 521 B11R0.142 CCCCCC[C@H](N)C(=O)OC MCULE-5212970889 [1,1,0,0,0,0|1,0,1]=4 522 B11R0.142 CCCCCC[C@H](N)C(=O)OC MCULE-7851215638 [1,1,0,0,0,0|1,0,1]=4 523 B11R0.31 NS(=O)(=O)CCCCCC(=O)O MCULE-7600274441 [1,1,0,0,0,0|1,0,1]=4 524 B11R0.31 O=C(O)CCCCCP(=O)(O)O MCULE-8946955517 [1,1,0,0,0,0|1,0,0]=3 525 B11R0.85 CC(=O)CCC(=O)CCC(=O)O MCULE-5526835762 [1,1,0,0,0,0|1,0,1]=4 526 B11R0.85 CN(CCC(=O)O)CCC(=O)O MCULE-6422087692 [1,1,0,0,0,0|1,0,0]=3 527 B11R0.85 CN(CCC(=O)O)CCC(=O)O MCULE-9753433782 [1,1,0,0,0,0|1,0,0]=3 528 B11R0.85 NC(CCC(=O)O)CCC(=O)O MCULE-1718560114 [1,1,0,0,0,0|0,0,0]=2 529 B11R0.85 O=C(O)CCC(=O)CCC(=O)O MCULE-2914369907 [1,1,0,0,0,0|0,0,1]=3 530 B11R0.85 O=C(O)CCC(=O)NCC(=O)O MCULE-7360241516 [1,1,0,0,0,0|1,0,1]=4 531 B11R0.85 O=C(O)CCS(=O)CCC(=O)O MCULE-6732412360 [1,1,0,0,0,0|1,0,0]=3 532 B11R0.111 CCC(=O)CCCCCC(=O)O MCULE-8603570043 [1,1,0,0,0,0|1,0,0]=3 533 B11R0.111 COC(=O)CCCCCC(=O)O MCULE-7307151830 [1,1,0,0,0,0|0,0,0]=2 534 B11R0.111 COC(=O)CCCCCN(=O)=O MCULE-7934969106 [1,1,0,0,0,0|1,0,1]=4 535 B11R0.150 CC(CCC(C)C(=O)O)C(=O)O MCULE-5912549588 [0,1,0,0,1,0|1,0,0]=3 536 B11R0.150 NC(CCC(N)C(=O)O)C(=O)O MCULE-3879325501 [0,1,0,0,1,0|0,0,0]=2 537 B11R0.150 NC(CCC(N)C(=O)O)C(=O)O MCULE-8835673266 [0,1,0,0,1,0|0,0,0]=2 538 B11R0.150 NC(CNC(=O)C(=O)O)C(=O)O MCULE-4369517479 [0,1,0,0,1,0|1,0,1]=4 539 B11R0.150 N[C@@H](CC[C@@H](N)C(=O)O)C(=O)O MCULE-1244462847 [0,1,0,0,1,0|0,0,0]=2 540 B11R0.150 N[C@@H](CC[C@@H](N)C(=O)O)C(=O)O MCULE-1836756247 [0,1,0,0,1,0|0,0,0]=2 541 B11R0.150 N[C@@H](CC[C@H](N)C(=O)O)C(=O)O MCULE-5252239426 [0,1,0,0,1,0|0,0,0]=2 542 B11R0.150 N[C@@H](CC[C@H](N)C(=O)O)C(=O)O MCULE-7091962514 [0,1,0,0,1,0|0,0,0]=2 543 B11R0.150 N[C@@H](CNC(=O)C(=O)O)C(=O)O MCULE-6891448368 [0,1,0,0,1,0|1,0,1]=4 544 B11R0.150 N[C@@H](CNC(=O)C(=O)O)C(=O)O MCULE-8386372368 [0,1,0,0,1,0|1,0,1]=4 545 B11R0.150 N[C@H](CC[C@@H](N)C(=O)O)C(=O)O MCULE-7748162622 [0,1,0,0,1,0|0,0,0]=2 546 B11R0.150 O=C(O)C(Br)CCC(Br)C(=O)O MCULE-1364640997 [0,1,0,0,1,0|1,0,0]=3 547 B11R0.318 NC(CCCP(=O)(O)O)C(=O)O MCULE-8623591326 [0,1,0,0,1,0|1,0,0]=3 548 B11R0.318 NC(CCCP(=O)(O)O)C(=O)[O-] MCULE-1190482144 [0,1,0,0,1,0|1,0,1]=4 549 B11R0.318 NC(CCCP(=O)([O-])O)C(=O)O MCULE-7628102703 [0,1,0,0,1,0|1,0,0]=3 550 B11R0.318 N[C@@H](CCCP(=O)(O)O)C(=O)O MCULE-4298011103 [0,1,0,0,1,0|1,0,0]=3 551 B11R0.318 N[C@@H](CCCP(=O)([O-])O)C(=O)O MCULE-2274115416 [0,1,0,0,1,0|1,0,0]=3 552 B11R0.318 N[C@H](CCCP(=O)(O)O)C(=O)O MCULE-4903649245 [0,1,0,0,1,0|1,0,0]=3 553 B11R0.318 N[C@H](CCCP(=O)(O)O)C(=O)O MCULE-6840301080 [0,1,0,0,1,0|1,0,0]=3 554 B13R0.51 N[C@@H](CCC(=O)NCC(=O)O)C(=O)O MCULE-1421391808 [0,1,0,0,0,1|0,0,1]=3 555 B13R0.51 N[C@H](CCC(=O)NCC(=O)O)C(=O)O MCULE-3089825842 [0,1,0,0,0,1|0,0,1]=3 556 B13R0.51 N[C@H](CCC(=O)NCC(=O)O)C(=O)O MCULE-4476076301 [0,1,0,0,0,1|0,0,1]=3 557 B13R0.51 N[C@H](CCC(=O)NCC(=O)O)C(=O)O MCULE-6653808113 [0,1,0,0,0,1|0,0,1]=3 558 B13R0.78 C/C(=C\C(=O)O)/CCC[C@@H](C)C(=O)O MCULE-9771322987 [0,1,0,0,0,1|1,0,1]=4 559 B13R0.78 CC(=CC(=O)O)CCC[C@@H](C)C(=O)O MCULE-3630030888 [0,1,0,0,0,1|1,0,1]=4 560 B13R0.101 COC(=O)C(N)CCCCNC(=O)C MCULE-6685329240 [0,1,0,0,0,1|1,0,0]=3 561 B13R0.101 COC(=O)C(N)CCCCNC(=O)C MCULE-9146351607 [0,1,0,0,0,1|1,0,0]=3 562 B13R0.101 COC(=O)[C@@H](N)CCCCNC(=O)C MCULE-1952085059 [0,1,0,0,0,1|1,0,0]=3 563 B13R0.101 COC(=O)[C@@H](N)CCCCNC(=O)C MCULE-2631706513 [0,1,0,0,0,1|1,0,0]=3 564 B13R0.101 COC(=O)[C@@H](N)CCCCNC(=O)C MCULE-6706973771 [0,1,0,0,0,1|1,0,0]=3 565 B13R0.101 COC(=O)[C@@H](N)CCCCNC(=O)C MCULE-6778302428 [0,1,0,0,0,1|1,0,0]=3 566 B13R0.204 C=CC(=O)NCCCC[C@H](N)C(=O)O MCULE-2461366013 [0,1,0,0,0,1|1,0,0]=3 567 B13R0.204 C=CC(=O)NCCCC[C@H](N)C(=O)O MCULE-8091041228 [0,1,0,0,0,1|1,0,0]=3 568 B13R0.204 CCC(=O)NCCCCC(N)C(=O)O MCULE-1055431872 [0,1,0,0,0,1|1,0,0]=3 569 B13R0.204 CCC(=O)NCCCCC(N)C(=O)O MCULE-9001314161 [0,1,0,0,0,1|1,0,0]=3 570 B13R0.204 CCC(=O)NCCCC[C@H](N)C(=O)O MCULE-3127074319 [0,1,0,0,0,1|1,0,0]=3 571 B13R0.204 N[C@@H](CCCCNC(=O)CO)C(=O)O MCULE-6232083879 [0,1,0,0,0,1|0,0,0]=2 572 B13R0.353 C(N)(C[Se][Se]CC(N)C(=O)O)C(=O)O MCULE-9630482753 [0,1,0,0,0,1|1,0,0]=3 573 B13R0.353 CC(C/C=C/CC(C)C(=O)O)C(=O)O MCULE-9592592086 [0,1,0,0,0,1|1,0,1]=4 574 B13R0.353 CC(CSSCC(C)C(=O)O)C(=O)O MCULE-4284189577 [0,1,0,0,0,1|2,0,0]=4 575 B13R0.353 NC(C/C=C/CC(N)C(=O)O)C(=O)O MCULE-6561593409 [0,1,0,0,0,1|0,0,1]=3 576 B13R0.353 NC(CC=CCC(N)C(=O)O)C(=O)O MCULE-3538947276 [0,1,0,0,0,1|0,0,1]=3 577 B13R0.353 NC(CC=CCC(N)C(=O)O)C(=O)O MCULE-4151565116 [0,1,0,0,0,1|0,0,1]=3 578 B13R0.353 NC(CCCCC(N)C(=O)O)C(=O)O MCULE-6205813007 [0,1,0,0,0,1|0,0,0]=2 579 B13R0.353 NC(CCSCC(N)C(=O)O)C(=O)O MCULE-5062168144 [0,1,0,0,0,1|0,0,0]=2 580 B13R0.353 NC(CCSCC(N)C(=O)O)C(=O)O MCULE-8748715647 [0,1,0,0,0,1|0,0,0]=2 581 B13R0.353 NC(CSCC[C@H](N)C(=O)O)C(=O)O MCULE-5526554850 [0,1,0,0,0,1|0,0,0]=2 582 B13R0.353 NC(CSSCC(N)C(=O)O)C(=O)O MCULE-2293704247 [0,1,0,0,0,1|1,0,0]=3 583 B13R0.353 NC(CSSCC(N)C(=O)O)C(=O)O MCULE-7713068832 [0,1,0,0,0,1|1,0,0]=3 584 B13R0.353 NC(CSSC[C@@H](N)C(=O)O)C(=O)O MCULE-3765292405 [0,1,0,0,0,1|1,0,0]=3 585 B13R0.353 NC(CSSC[C@@H](N)C(=O)O)C(=O)O MCULE-5222848209 [0,1,0,0,0,1|1,0,0]=3 586 B13R0.353 NC(CSSC[C@H](N)C(=O)O)C(=O)O MCULE-5507828778 [0,1,0,0,0,1|1,0,0]=3 587 B13R0.353 NC(CSSC[C@H](N)C(=O)O)C(=O)O MCULE-8085440146 [0,1,0,0,0,1|1,0,0]=3 588 B13R0.353 NC(CSSC[C@H](N)C(=O)O)C(=O)O MCULE-9209338923 [0,1,0,0,0,1|1,0,0]=3 589 B13R0.353 NC(C[Se][Se]C[C@H](N)C(=O)O)C(=O)O MCULE-3664552747 [0,1,0,0,0,1|1,0,0]=3 590 B13R0.353 N[C@@H](CCSC[C@H](N)C(=O)O)C(=O)O MCULE-2407867147 [0,1,0,0,0,1|0,0,0]=2 591 B13R0.353 N[C@@H](CCSC[C@H](N)C(=O)O)C(=O)O MCULE-7833805260 [0,1,0,0,0,1|0,0,0]=2 592 B13R0.353 N[C@@H](CSSC[C@H](N)C(=O)O)C(=O)O MCULE-1347350144 [0,1,0,0,0,1|1,0,0]=3 593 B13R0.353 N[C@@H](CSSC[C@H](N)C(=O)O)C(=O)O MCULE-1843830412 [0,1,0,0,0,1|1,0,0]=3 594 B13R0.353 N[C@@H](CSSC[C@H](N)C(=O)O)C(=O)O MCULE-1856490989 [0,1,0,0,0,1|1,0,0]=3 595 B13R0.353 N[C@@H](CSSC[C@H](N)C(=O)O)C(=O)O MCULE-1862736447 [0,1,0,0,0,1|1,0,0]=3 596 B13R0.353 N[C@@H](CSSC[C@H](N)C(=O)O)C(=O)O MCULE-3203067480 [0,1,0,0,0,1|1,0,0]=3 597 B13R0.353 N[C@@H](CSSC[C@H](N)C(=O)O)C(=O)O MCULE-8999723845 [0,1,0,0,0,1|1,0,0]=3 598 B13R0.353 N[C@@H](C[Se][Se]C[C@H](N)C(=O)O)C(=O)O MCULE-6036052400 [0,1,0,0,0,1|1,0,0]=3 599 B13R0.353 N[C@@H](C[Se][Se]C[C@H](N)C(=O)O)C(=O)O MCULE-8440912039 [0,1,0,0,0,1|1,0,0]=3 600 B13R0.353 N[C@H](CSCC[C@@H](N)C(=O)O)C(=O)O MCULE-7743281473 [0,1,0,0,0,1|0,0,0]=2 601 B13R0.353 N[C@H](CSSC[C@@H](N)C(=O)O)C(=O)O MCULE-3979744389 [0,1,0,0,0,1|1,0,0]=3 602 B13R0.353 N[C@H](CSSC[C@@H](N)C(=O)O)C(=O)O MCULE-5527321865 [0,1,0,0,0,1|1,0,0]=3 603 B13R0.353 N[C@H](CSSC[C@H](N)C(=O)O)C(=O)O MCULE-8581541377 [0,1,0,0,0,1|1,0,0]=3 604 B13R0.353 N[C@H](C[Se][Se]C[C@@H](N)C(=O)O)C(=O)O MCULE-4136299529 [0,1,0,0,0,1|1,0,0]=3 605 B13R0.353 [NH3+]C(CSSCC(C(=O)O)[NH3+])C(=O)O MCULE-6043618933 [0,1,0,0,0,1|1,0,1]=4 606 B13R0.354 NC(CCCCCP(=O)(O)O)C(=O)O MCULE-7179125158 [0,1,0,0,0,1|1,0,0]=3 607 B13R0.354 N[C@@H](CCCCCP(=O)(O)O)C(=O)O MCULE-6613789913 [0,1,0,0,0,1|1,0,0]=3 608 B13R0.354 N[C@H](CCCCCP(=O)(O)O)C(=O)O MCULE-9148705810 [0,1,0,0,0,1|1,0,0]=3 609 B13R0.354 [C@@H](N)(CCCCCP(=O)(O)O)C(=O)O MCULE-2543492016 [0,1,0,0,0,1|1,0,0]=3 610 B13R0.1403 N[C@@H](CC(=O)O)C(=O)NCCC(=O)O MCULE-8408105674 [0,1,0,0,0,1|1,0,1]=4 611 B13R0.250 COC(=O)CCCCC(C)C(=O)OC MCULE-6936366786 [0,2,0,0,0,0|1,0,0]=3 612 B13R0.355 C[C@H](NC(=O)C[C@H](N)C(=O)O)C(=O)O MCULE-2105545171 [0,2,0,0,0,0|1,0,1]=4 613 B13R0.329 CCCC(CCCCC(=O)O)C(=O)O MCULE-3907306935 [0,2,0,0,0,0|1,0,0]=3 614 B13R0.409 CC(N)(CCCCP(=O)(O)O)C(=O)O MCULE-6301691591 [0,2,0,0,0,0|1,0,0]=3 615 B11R1.20 NC1CCC(CC1)CC(=O)O MCULE-7784789459 [1,0,0,1,0,0|1,0,1]=4 616 B11R1.20 N[C@H]1CC[C@@H](CC1)CC(=O)O MCULE-2303304803 [1,0,0,1,0,0|1,0,1]=4 617 B11R1.20 N[C@H]1CC[C@@H](CC1)CC(=O)O MCULE-5990177555 [1,0,0,1,0,0|1,0,1]=4 618 B11R1.20 N[C@H]1CC[C@H](CC1)CC(=O)O MCULE-4302933877 [1,0,0,1,0,0|1,0,1]=4 619 B11R1.20 N[C@H]1CC[C@H](CC1)CC(=O)O MCULE-7773137329 [1,0,0,1,0,0|1,0,1]=4 620 B11R1.159 NC(=O)C1CCCC(C1=O)Br MCULE-6088253167 [1,0,0,1,0,0|2,0,0]=4 621 B11R1.159 O=C(O)C1CCCC(C1=O)Br MCULE-3186177717 [1,0,0,1,0,0|1,0,0]=3 622 B11R1.266 CCC1CCCC(N1)C(=O)O MCULE-7713794654 [1,0,0,1,0,0|1,0,1]=4 623 B11R1.266 O=C(O)C1CCCC(C1)CO MCULE-5244716212 [1,0,0,1,0,0|1,0,1]=4 624 B11R1.266 O=CN1CCCC(C1)C(=O)O MCULE-9603483269 [1,0,0,1,0,0|2,0,0]=4 625 B11R1.313 CN1CCC(C1=O)CC(=O)O MCULE-7401738554 [1,0,0,1,0,0|2,0,0]=4 626 B11R1.35 CC(CC1CCCO1)C(=O)O MCULE-7589073159 [1,0,0,1,0,0|1,0,1]=4 627 B11R1.35 NC(CC1CCCC1)C(=O)O MCULE-2541402745 [1,0,0,1,0,0|1,0,1]=4 628 B11R1.35 NC(CC1CCCC1)C(=O)O MCULE-3851918025 [1,0,0,1,0,0|1,0,1]=4 629 B11R1.35 NC(CC1CCCO1)C(=O)O MCULE-3710409199 [1,0,0,1,0,0|0,0,1]=3 630 B11R1.35 NC(CC1CCNC1)C(=O)O MCULE-9242342673 [1,0,0,1,0,0|2,0,0]=4 631 B11R1.35 NC(CC1CCOC1)C(=O)O MCULE-2796794328 [1,0,0,1,0,0|2,0,0]=4 632 B11R1.35 NC(CC1CCOC1)C(=O)O MCULE-3511340633 [1,0,0,1,0,0|2,0,0]=4 633 B11R1.35 N[C@@H](CC1CCCC1)C(=O)O MCULE-1482788952 [1,0,0,1,0,0|1,0,1]=4 634 B11R1.35 N[C@@H](CC1CCCC1)C(=O)O MCULE-8118301255 [1,0,0,1,0,0|1,0,1]=4 635 B11R1.35 N[C@@H](CC1CCNC1)C(=O)O MCULE-9017826833 [1,0,0,1,0,0|2,0,0]=4 636 B11R1.35 N[C@@H](CC1CCOC1)C(=O)O MCULE-5950406860 [1,0,0,1,0,0|2,0,0]=4 637 B11R1.35 N[C@@H](CC1CCOC1)C(=O)O MCULE-6688710534 [1,0,0,1,0,0|2,0,0]=4 638 B11R1.35 N[C@@H](CC1CCOC1)C(=O)O MCULE-7951834658 [1,0,0,1,0,0|2,0,0]=4 639 B11R1.35 N[C@H](CC1CCCC1)C(=O)O MCULE-2021631405 [1,0,0,1,0,0|1,0,1]=4 640 B11R1.35 N[C@H](CC1CCCC1)C(=O)O MCULE-6544324630 [1,0,0,1,0,0|1,0,1]=4 641 B11R1.35 N[C@H](CC1CCNC1)C(=O)O MCULE-1596977678 [1,0,0,1,0,0|2,0,0]=4 642 B11R1.35 N[C@H](CC1CCOC1)C(=O)O MCULE-1362869168 [1,0,0,1,0,0|2,0,0]=4 643 B11R1.36 NC(C(=O)O)C1CC=CCC1 MCULE-8998480466 [1,0,0,1,0,0|1,0,1]=4 644 B11R1.36 NC(C(=O)O)C1CCCCC1 MCULE-1846014205 [1,0,0,1,0,0|1,0,1]=4 645 B11R1.36 NC(C(=O)O)C1CCCCC1 MCULE-2033801873 [1,0,0,1,0,0|1,0,1]=4 646 B11R1.36 NC(C(=O)O)C1CCCCC1 MCULE-4412820367 [1,0,0,1,0,0|1,0,1]=4 647 B11R1.36 NC(C(=O)O)C1CCCCC1 MCULE-6865831162 [1,0,0,1,0,0|1,0,1]=4 648 B11R1.36 NC(C(=O)O)C1CCCCN1 MCULE-4787612648 [1,0,0,1,0,0|1,0,1]=4 649 B11R1.36 NC(C(=O)O)C1CCCCN1 MCULE-7916436523 [1,0,0,1,0,0|1,0,1]=4 650 B11R1.36 NC(C(=O)O)C1CCCNC1 MCULE-5536275038 [1,0,0,1,0,0|2,0,0]=4 651 B11R1.36 NC(C(=O)O)C1CCCOC1 MCULE-6641388094 [1,0,0,1,0,0|2,0,0]=4 652 B11R1.36 N[C@@H](C(=O)O)C1CCCCC1 MCULE-3443210425 [1,0,0,1,0,0|1,0,1]=4 653 B11R1.36 N[C@@H](C(=O)O)C1CCCCC1 MCULE-4731070853 [1,0,0,1,0,0|1,0,1]=4 654 B11R1.36 N[C@@H](C(=O)O)C1CCCCC1 MCULE-6698336499 [1,0,0,1,0,0|1,0,1]=4 655 B11R1.36 N[C@@H](C(=O)O)C1CCCCC1 MCULE-6855404620 [1,0,0,1,0,0|1,0,1]=4 656 B11R1.36 N[C@H](C(=O)O)C1CCCCC1 MCULE-1545974835 [1,0,0,1,0,0|1,0,1]=4 657 B11R1.36 N[C@H](C(=O)O)C1CCCCC1 MCULE-1933038118 [1,0,0,1,0,0|1,0,1]=4 658 B11R1.36 N[C@H](C(=O)O)C1CCCCC1 MCULE-2164840222 [1,0,0,1,0,0|1,0,1]=4 659 B11R1.36 N[C@H](C(=O)O)C1CCCCC1 MCULE-9858528992 [1,0,0,1,0,0|1,0,1]=4 660 B11R1.36 N[C@H](C(=O)O)C1CCCCC1 MCULE-9914793144 [1,0,0,1,0,0|1,0,1]=4 661 B11R1.36 [C@@H]1(CCCNC1)C(N)C(=O)O MCULE-6149074850 [1,0,0,1,0,0|2,0,0]=4 662 B11R1.36 [C@@H]1(CCCNC1)[C@@H](N)C(=O)O MCULE-7684614655 [1,0,0,1,0,0|2,0,0]=4 663 B11R1.36 [C@@H]1(CCCNC1)[C@H](N)C(=O)O MCULE-3256486770 [1,0,0,1,0,0|2,0,0]=4 664 B11R1.36 [C@H](N)(C(=O)O)C1CCCCC1 MCULE-2416228483 [1,0,0,1,0,0|1,0,1]=4 665 B11R1.36 [C@H]1(CCCNC1)C(N)C(=O)O MCULE-3096261009 [1,0,0,1,0,0|2,0,0]=4 666 B11R1.36 [C@H]1(CCCNC1)[C@@H](N)C(=O)O MCULE-7922011516 [1,0,0,1,0,0|2,0,0]=4 667 B11R1.36 [C@H]1(CCCNC1)[C@H](N)C(=O)O MCULE-6518139620 [1,0,0,1,0,0|2,0,0]=4 668 B11R1.89 CC(C(=O)O)N1CCCC1=O MCULE-9190574225 [1,0,0,1,0,0|2,0,0]=4 669 B11R1.89 C[C@@H](C(=O)O)N1CCCC1=O MCULE-1695435983 [1,0,0,1,0,0|2,0,0]=4 670 B11R1.497 CC(=O)C1CCCCC(=O)C1 MCULE-8090726810 [1,0,0,1,0,0|2,0,0]=4 671 B11R1.497 NC(=O)C1CSCCC(=O)N1 MCULE-9167752507 [1,0,0,1,0,0|2,0,0]=4 672 B11R1.497 O=C(O)C1CCCCC(C1)O MCULE-8775414897 [1,0,0,1,0,0|1,0,1]=4 673 B11R1.497 O=C1CCCCC(C1)C(=O)O MCULE-7646723801 [1,0,0,1,0,0|1,0,0]=3 674 B11R1.497 O=C1CCCCC(N1)C(=O)O MCULE-3462654668 [1,0,0,1,0,0|0,0,0]=2 675 B11R1.497 O=C1CCSCC(N1)C(=O)O MCULE-1237852498 [1,0,0,1,0,0|1,0,0]=3 676 B11R1.520 CC1(CCCNC1=O)C(=O)O MCULE-2127943120 [1,0,0,1,0,0|2,0,0]=4 677 B11R1.520 CC1CCCCC1(N)C(=O)O MCULE-7674467260 [1,0,0,1,0,0|1,0,1]=4 678 B11R1.706 O=C(O)C1CCCCCCN1 MCULE-2852082428 [1,0,0,1,0,0|1,0,1]=4 679 B11R1.706 O=C(O)C1CCCCCCN1 MCULE-2931630393 [1,0,0,1,0,0|1,0,1]=4 680 B11R1.737 NC1(CCCCCC1)C(=O)O MCULE-6498749639 [1,0,0,1,0,0|1,0,1]=4 681 B11R1.157 CC(=O)CC1CCCC(=O)N1 MCULE-4485387072 [1,0,0,1,0,0|2,0,0]=4 682 B11R1.157 O=C(O)CC1CCCC(=O)C1 MCULE-2070450942 [1,0,0,1,0,0|1,0,0]=3 683 B11R1.157 O=C(O)CC1CCCC(=O)N1 MCULE-7470301343 [1,0,0,1,0,0|1,0,0]=3 684 B11R1.157 O=C(O)CC1CCNC(=O)C1 MCULE-3498688720 [1,0,0,1,0,0|2,0,0]=4 685 B11R1.157 O=C(O)CC1CCNC(=O)C1 MCULE-8598228573 [1,0,0,1,0,0|2,0,0]=4 686 B11R1.178 CC(=O)N1CCCC1C(=O)O MCULE-1813411528 [1,0,0,1,0,0|2,0,0]=4 687 B11R1.178 CC(=O)N1CCCC1C(=O)O MCULE-9022800854 [1,0,0,1,0,0|2,0,0]=4 688 B11R1.178 CC(=O)N1CCC[C@@H]1C(=O)O MCULE-1405603447 [1,0,0,1,0,0|2,0,0]=4 689 B11R1.178 CC(=O)N1CCC[C@@H]1C(=O)O MCULE-9216589773 [1,0,0,1,0,0|2,0,0]=4 690 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)O MCULE-1169221802 [1,0,0,1,0,0|2,0,0]=4 691 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)O MCULE-9915147289 [1,0,0,1,0,0|2,0,0]=4 692 B11R1.178 NC(=O)C1CCCC1C(=O)N MCULE-4017914562 [1,0,0,1,0,0|2,0,0]=4 693 B11R1.178 NC(=O)N1CCCC1C(=O)O MCULE-2099814008 [1,0,0,1,0,0|2,0,0]=4 694 B11R1.178 NC(=O)N1CCC[C@H]1C(=O)O MCULE-1581234645 [1,0,0,1,0,0|2,0,0]=4 695 B11R1.178 NC(=O)N1CCC[C@H]1C(=O)O MCULE-2695707693 [1,0,0,1,0,0|2,0,0]=4 696 B11R1.178 O=C(O)C1=C(CCC1)C(=O)O MCULE-7488890401 [1,0,0,1,0,0|0,0,2]=4 697 B11R1.178 O=C(O)C1CCCC1C(=O)O MCULE-1370613174 [1,0,0,1,0,0|0,0,0]=2 698 B11R1.178 O=C(O)C1CCNC1C(=O)O MCULE-2316581520 [1,0,0,1,0,0|1,0,0]=3 699 B11R1.178 O=C(O)C1CCNC1C(=O)O MCULE-9331741117 [1,0,0,1,0,0|1,0,0]=3 700 B11R1.178 O=C(O)C1COCC1C(=O)O MCULE-4469020347 [1,0,0,1,0,0|1,0,0]=3 701 B11R1.178 O=C(O)[C@@H]1CCCN1C(=O)O MCULE-1970767326 [1,0,0,1,0,0|1,0,0]=3 702 B11R1.178 O=C(O)[C@@H]1CCC[C@H]1C(=O)O MCULE-5772739452 [1,0,0,1,0,0|0,0,0]=2 703 B11R1.178 O=C(O)[C@@H]1CCC[C@H]1C(=O)O MCULE-6923663809 [1,0,0,1,0,0|0,0,0]=2 704 B11R1.178 O=C(O)[C@@H]1CNC[C@@H]1C(=O)O MCULE-7094844570 [1,0,0,1,0,0|1,0,0]=3 705 B11R1.178 O=C(O)[C@@H]1COC[C@@H]1C(=O)O MCULE-2959853524 [1,0,0,1,0,0|1,0,0]=3 706 B11R1.178 O=C(O)[C@@H]1COC[C@H]1C(=O)O MCULE-9190757159 [1,0,0,1,0,0|1,0,0]=3 707 B11R1.178 O=C(O)[C@H]1CCC[C@H]1C(=O)O MCULE-2898188373 [1,0,0,1,0,0|0,0,0]=2 708 B11R1.178 O=C(O)[C@H]1COC[C@@H]1C(=O)O MCULE-4154653911 [1,0,0,1,0,0|1,0,0]=3 709 B11R1.178 O=C(O)[C@H]1COC[C@@H]1C(=O)O MCULE-5321587208 [1,0,0,1,0,0|1,0,0]=3 710 B11R1.234 O=C(O)CC1CCCS1(=O)=O MCULE-9153779974 [1,0,0,1,0,0|1,0,1]=4 711 B11R1.740 O=C(O)CC1CC1CC(=O)O MCULE-8348402050 [1,0,0,1,0,0|0,0,0]=2 712 B11R1.21 N[C@H]1CC[C@H](C[C@@H]1O)C(=O)O MCULE-5165144051 [0,0,0,1,1,0|1,0,1]=4 713 B11R1.21 N[C@H]1CC[C@H](C[C@@H]1O)C(=O)O MCULE-9735389419 [0,0,0,1,1,0|1,0,1]=4 714 B11R1.80 CC(=O)CC1CC(C(=O)O1)C MCULE-9835948088 [0,0,0,1,1,0|2,0,0]=4 715 B11R1.175 NC(=O)C1CCC(C1)C(=O)O MCULE-6317737981 [0,0,0,1,1,0|2,0,0]=4 716 B11R1.175 NC(=O)[C@@H]1CC[C@@H](O1)C(=O)O MCULE-9051441174 [0,0,0,1,1,0|2,0,0]=4 717 B11R1.175 O=C(O)C1CCC(C1)C(=O)O MCULE-5582697343 [0,0,0,1,1,0|1,0,0]=3 718 B11R1.175 O=C(O)C1CCC(O1)C(=O)O MCULE-3136124682 [0,0,0,1,1,0|1,0,0]=3 719 B11R1.175 O=C(O)C1CNC(C1)C(=O)O MCULE-8937278367 [0,0,0,1,1,0|2,0,0]=4 720 B11R1.175 O=C(O)C1CSC(N1)C(=O)O MCULE-7618690294 [0,0,0,1,1,0|1,0,0]=3 721 B11R1.175 O=C(O)[C@@H]1CC[C@@H](N1)C(=O)O MCULE-3826760511 [0,0,0,1,1,0|0,0,0]=2 722 B11R1.175 O=C(O)[C@@H]1CC[C@@H](O1)C(=O)O MCULE-5651042358 [0,0,0,1,1,0|1,0,0]=3 723 B11R1.175 O=C(O)[C@@H]1CC[C@H](C1)C(=O)O MCULE-4158551450 [0,0,0,1,1,0|1,0,0]=3 724 B11R1.175 O=C(O)[C@@H]1CN[C@@H](C1)C(=O)O MCULE-1390451256 [0,0,0,1,1,0|2,0,0]=4 725 B11R1.175 O=C(O)[C@@H]1CN[C@@H](C1)C(=O)O MCULE-7979026465 [0,0,0,1,1,0|2,0,0]=4 726 B11R1.175 O=C(O)[C@@H]1CN[C@@H](C1)C(=O)O MCULE-9063795349 [0,0,0,1,1,0|2,0,0]=4 727 B11R1.175 O=C(O)[C@@H]1CN[C@H](C1)C(=O)O MCULE-5420917584 [0,0,0,1,1,0|2,0,0]=4 728 B11R1.175 O=C(O)[C@@H]1C[C@H](CN1)C(=O)O MCULE-2467535885 [0,0,0,1,1,0|2,0,0]=4 729 B11R1.175 O=C(O)[C@H]1CC[C@@H](C1)C(=O)O MCULE-1705160233 [0,0,0,1,1,0|1,0,0]=3 730 B11R1.175 O=C(O)[C@H]1CC[C@H](C1)C(=O)O MCULE-9410279128 [0,0,0,1,1,0|1,0,0]=3 731 B11R1.314 CC(C(=O)O)C1CCC(=O)N1 MCULE-4842292622 [0,0,0,1,1,0|2,0,0]=4 732 B11R1.704 C1(CC1C(=O)O)C(N)C(=O)O MCULE-4575165023 [0,0,0,1,1,0|0,0,0]=2 733 B11R1.704 N[C@H](C(=O)O)[C@H]1C[C@H]1C(=O)O MCULE-2251690284 [0,0,0,1,1,0|0,0,0]=2 734 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|0,0,0]=2 735 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|0,0,0]=2 736 B13R1.587 NC(=O)CN1CCCC(C1)C(=O)O MCULE-3824524610 [0,0,0,1,0,1|2,0,0]=4 737 B13R1.1091 CC(=O)N1CCCCC1(C)C(=O)O MCULE-5551467879 [0,0,0,1,0,1|2,0,0]=4 738 B13R1.3424 O=C(O)OC(=O)CC1CCC(=O)O1 MCULE-3404820245 [0,0,0,1,0,1|1,0,1]=4 739 B13R1.533 COC(=O)C1CCN(C1)CC(=O)O MCULE-2291969771 [0,1,0,1,0,0|2,0,0]=4 740 B13R1.533 COC(=O)[C@@H]1CCN(C1)CC(=O)O MCULE-2306941635 [0,1,0,1,0,0|2,0,0]=4 741 B13R1.533 COC(=O)[C@H]1CCN(C1)CC(=O)O MCULE-9842925778 [0,1,0,1,0,0|2,0,0]=4 742 B13R1.543 COC(=O)C1CCCC(C1)C(=O)O MCULE-7645540270 [0,1,0,1,0,0|1,0,0]=3 743 B13R1.543 COC(=O)C1CCC[C@H](C1)C(=O)O MCULE-9656209971 [0,1,0,1,0,0|1,0,0]=3 744 B13R1.543 COC(=O)C1CNCC(C1)C(=O)O MCULE-7816239898 [0,1,0,1,0,0|2,0,0]=4 745 B13R1.543 COC(=O)N1CCCC(C1)C(=O)O MCULE-8767213772 [0,1,0,1,0,0|2,0,0]=4 746 B13R1.543 COC(=O)[C@@H]1CCC[C@@H](C1)C(=O)O MCULE-4344993975 [0,1,0,1,0,0|1,0,0]=3 747 B13R1.543 COC(=O)[C@@H]1CCC[C@@H](C1)C(=O)O MCULE-7271600081 [0,1,0,1,0,0|1,0,0]=3 748 B13R1.543 COC(=O)[C@H]1CCC[C@@H](C1)C(=O)O MCULE-5124195289 [0,1,0,1,0,0|1,0,0]=3 749 B13R1.543 COC(=O)[C@H]1CCC[C@H](C1)C(=O)O MCULE-6287199218 [0,1,0,1,0,0|1,0,0]=3 750 B13R1.543 COC(=O)[C@H]1CCC[C@H](C1)C(=O)O MCULE-8694907254 [0,1,0,1,0,0|1,0,0]=3 751 B13R1.126 NC(=O)C1CC(CC(N1)C(=O)N)O MCULE-2750240901 [0,1,0,1,0,0|2,0,0]=4 752 B13R1.133 N[C@H](CC1CCC(CC1)O)C(=O)O MCULE-1941355829 [0,1,0,1,0,0|1,0,1]=4 753 B13R1.642 COC1CCCC(C1)C(N)C(=O)O MCULE-1721878951 [0,1,0,1,0,0|1,0,1]=4 754 B13R1.642 COC1CCCC(C1)C(N)C(=O)O MCULE-3114118036 [0,1,0,1,0,0|1,0,1]=4 755 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]=4 756 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]=4 757 B13R1.585 O=C(O)CC1CCC(CC1)C(=O)O MCULE-2348380253 [0,1,0,1,0,0|1,0,0]=3 758 B13R1.585 O=C(O)CN1CCC(CC1)C(=O)O MCULE-6925904637 [0,1,0,1,0,0|2,0,0]=4 759 B13R1.585 O=C(O)CN1CCC(CC1)C(=O)O MCULE-8601742568 [0,1,0,1,0,0|2,0,0]=4 760 B13R1.585 [NH+]1(CCC(CC1)C(=O)O)CC(=O)O MCULE-4248342442 [0,1,0,1,0,0|2,0,0]=4 761 B13R1.6006 CCC1(CCCCC(=O)N1)C(=O)O MCULE-9669571695 [0,1,0,1,0,0|2,0,0]=4 762 B13R1.8780 CC1(CCCC(C1)C(=O)O)C(=O)O MCULE-2210992451 [0,1,0,1,0,0|1,0,0]=3 763 B13R2.4742 O=C1CC2CCC1CC2C(=O)O MCULE-6324277047 [0,0,0,2,0,0|2,0,0]=4 764 B13R2.400 O=C1CC2CC(CC2C1)C(=O)O MCULE-4937469862 [0,0,0,2,0,0|2,0,0]=4 765 B13R2.3291 O=C1CC2CC(N1)C(C2)C(=O)O MCULE-1170536631 [0,0,0,2,0,0|2,0,0]=4 766 B13R2.13915 [C@@H]12[C@H](NC[C@@H]1[C@@H]2C(=O)O)C(=O)O MCULE-9541164103 [0,0,0,2,0,0|2,0,0]=4 767 B13R2.4780 O=C1CC2(C1)CCC(C2)C(=O)O MCULE-5011998270 [0,0,0,2,0,0|2,0,0]=4 768 B13R2.13965 O=C(O)C1CC2C(C1)C2C(=O)O MCULE-9001178199 [0,0,0,2,0,0|1,0,0]=3 769 B9R0.1 O=C(O)CCCC(O)CO MCULE-8338266320 [1,0,0,0,1,0|1,0,1]=4 770 B9R0.7 C(N)(CCC(=O)[O-])C(=O)O MCULE-5359010340 [0,0,0,0,2,0|0,0,1]=3 771 B9R0.7 C=C(CCC(=O)O)C(=O)O MCULE-3502029665 [0,0,0,0,2,0|1,0,1]=4 772 B9R0.7 CC(=O)C(C)CCC(=O)O MCULE-9124111940 [0,0,0,0,2,0|2,0,0]=4 773 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-4063734192 [0,0,0,0,2,0|2,0,0]=4 774 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-6252379108 [0,0,0,0,2,0|2,0,0]=4 775 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-6448707862 [0,0,0,0,2,0|2,0,0]=4 776 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-8255582994 [0,0,0,0,2,0|2,0,0]=4 777 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-2377153563 [0,0,0,0,2,0|2,0,0]=4 778 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-2469027462 [0,0,0,0,2,0|2,0,0]=4 779 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-4796013964 [0,0,0,0,2,0|2,0,0]=4 780 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-9408226443 [0,0,0,0,2,0|2,0,0]=4 781 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-1751945139 [0,0,0,0,2,0|2,0,0]=4 782 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-3822387628 [0,0,0,0,2,0|2,0,0]=4 783 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-6052634347 [0,0,0,0,2,0|2,0,0]=4 784 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-6909390355 [0,0,0,0,2,0|2,0,0]=4 785 B9R0.7 CC(=O)SCC(N)C(=O)O MCULE-2891442308 [0,0,0,0,2,0|2,0,0]=4 786 B9R0.7 CC(=O)SCC(N)C(=O)O MCULE-4623851451 [0,0,0,0,2,0|2,0,0]=4 787 B9R0.7 CC(=O)SC[C@H](N)C(=O)O MCULE-1698125004 [0,0,0,0,2,0|2,0,0]=4 788 B9R0.7 CC(=O)SC[C@H](N)C(=O)O MCULE-6046193594 [0,0,0,0,2,0|2,0,0]=4 789 B9R0.7 CC(CCC(=O)O)C(=O)O MCULE-1523371907 [0,0,0,0,2,0|1,0,0]=3 790 B9R0.7 CC(CCC(=O)O)C(=O)O MCULE-1939523418 [0,0,0,0,2,0|1,0,0]=3 791 B9R0.7 CC(NCC(=O)O)C(=O)O MCULE-1111290878 [0,0,0,0,2,0|2,0,0]=4 792 B9R0.7 CC(NCC(=O)O)C(=O)O MCULE-6569987660 [0,0,0,0,2,0|2,0,0]=4 793 B9R0.7 CC(SCC(=O)O)C(=O)O MCULE-8523268796 [0,0,0,0,2,0|2,0,0]=4 794 B9R0.7 CS(=O)CCC(N)C(=O)O MCULE-2810141962 [0,0,0,0,2,0|2,0,0]=4 795 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-3901672243 [0,0,0,0,2,0|2,0,0]=4 796 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-3967415982 [0,0,0,0,2,0|2,0,0]=4 797 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-6481206030 [0,0,0,0,2,0|2,0,0]=4 798 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-6787807393 [0,0,0,0,2,0|2,0,0]=4 799 B9R0.7 CS(=O)CC[C@H](N)C(=O)O MCULE-1832499155 [0,0,0,0,2,0|2,0,0]=4 800 B9R0.7 C[C@@H](CCC(=O)O)C(=O)O MCULE-7515023265 [0,0,0,0,2,0|1,0,0]=3 801 B9R0.7 C[C@H](CCC(=O)O)C(=O)O MCULE-8441860655 [0,0,0,0,2,0|1,0,0]=3 802 B9R0.7 C[C@H](CCC(=O)O)C(=O)O MCULE-9071150671 [0,0,0,0,2,0|1,0,0]=3 803 B9R0.7 C[C@H](NCC(=O)O)C(=O)O MCULE-1511229567 [0,0,0,0,2,0|2,0,0]=4 804 B9R0.7 C[C@H](NCC(=O)O)C(=O)O MCULE-4530562082 [0,0,0,0,2,0|2,0,0]=4 805 B9R0.7 NC(=O)C(N)CCC(=O)O MCULE-7109792615 [0,0,0,0,2,0|1,0,0]=3 806 B9R0.7 NC(=O)C(N)CCC(=O)O MCULE-8741984156 [0,0,0,0,2,0|1,0,0]=3 807 B9R0.7 NC(=O)CCC(N)C(=O)O MCULE-1418655814 [0,0,0,0,2,0|1,0,0]=3 808 B9R0.7 NC(=O)CC[C@@H](N)C(=O)N MCULE-3069717045 [0,0,0,0,2,0|2,0,0]=4 809 B9R0.7 NC(=O)CC[C@@H](N)C(=O)N MCULE-3964283106 [0,0,0,0,2,0|2,0,0]=4 810 B9R0.7 NC(=O)CC[C@@H](N)C(=O)N MCULE-8749190773 [0,0,0,0,2,0|2,0,0]=4 811 B9R0.7 NC(=O)CC[C@@H](N)C(=O)N MCULE-8900435477 [0,0,0,0,2,0|2,0,0]=4 812 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O MCULE-7870225738 [0,0,0,0,2,0|1,0,0]=3 813 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O MCULE-9711806580 [0,0,0,0,2,0|1,0,0]=3 814 B9R0.7 NC(=O)CC[C@H](N)C(=O)N MCULE-2293558876 [0,0,0,0,2,0|2,0,0]=4 815 B9R0.7 NC(=O)CC[C@H](N)C(=O)N MCULE-5457304555 [0,0,0,0,2,0|2,0,0]=4 816 B9R0.7 NC(=O)CC[C@H](N)C(=O)N MCULE-7482897734 [0,0,0,0,2,0|2,0,0]=4 817 B9R0.7 NC(=O)CC[C@H](N)C(=O)N MCULE-9074108708 [0,0,0,0,2,0|2,0,0]=4 818 B9R0.7 NC(=O)CC[C@H](N)C(=O)O MCULE-7234937947 [0,0,0,0,2,0|1,0,0]=3 819 B9R0.7 NC(=O)CC[C@H](N)C(=O)O MCULE-8718820108 [0,0,0,0,2,0|1,0,0]=3 820 B9R0.7 NC(=O)NCC(N)C(=O)O MCULE-4609961006 [0,0,0,0,2,0|2,0,0]=4 821 B9R0.7 NC(=O)NC[C@@H](N)C(=O)O MCULE-7506737023 [0,0,0,0,2,0|2,0,0]=4 822 B9R0.7 NC(=O)NC[C@H](N)C(=O)O MCULE-3123973606 [0,0,0,0,2,0|2,0,0]=4 823 B9R0.7 NC(=O)SCC(N)C(=O)O MCULE-7865241343 [0,0,0,0,2,0|2,0,0]=4 824 B9R0.7 NC(=O)SC[C@H](N)C(=O)O MCULE-6647567669 [0,0,0,0,2,0|2,0,0]=4 825 B9R0.7 NC(=O)SC[C@H](N)C(=O)O MCULE-7995535877 [0,0,0,0,2,0|2,0,0]=4 826 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O MCULE-7404893649 [0,0,0,0,2,0|1,0,0]=3 827 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O MCULE-7580681383 [0,0,0,0,2,0|1,0,0]=3 828 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-3142698040 [0,0,0,0,2,0|1,0,0]=3 829 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-3865619229 [0,0,0,0,2,0|1,0,0]=3 830 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-8184010011 [0,0,0,0,2,0|1,0,0]=3 831 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-8981731652 [0,0,0,0,2,0|1,0,0]=3 832 B9R0.7 NC(CCC(=O)O)C(=O)O MCULE-4203507491 [0,0,0,0,2,0|0,0,0]=2 833 B9R0.7 NC(CCC(=O)O)C(=O)O MCULE-4600207704 [0,0,0,0,2,0|0,0,0]=2 834 B9R0.7 NC(CCC(=O)O)C(=O)O MCULE-8107432729 [0,0,0,0,2,0|0,0,0]=2 835 B9R0.7 NC(CCC(=O)[O-])C(=O)O MCULE-5012956158 [0,0,0,0,2,0|0,0,1]=3 836 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-6077524166 [0,0,0,0,2,0|0,0,0]=2 837 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-7201150413 [0,0,0,0,2,0|0,0,0]=2 838 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-7328895736 [0,0,0,0,2,0|0,0,0]=2 839 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-7782530856 [0,0,0,0,2,0|0,0,0]=2 840 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-9447720868 [0,0,0,0,2,0|0,0,0]=2 841 B9R0.7 N[C@@H](CCC(=O)O)C(=O)[O-] MCULE-3042990215 [0,0,0,0,2,0|0,0,1]=3 842 B9R0.7 N[C@@H](CCC(=O)O)C(O)O MCULE-4882070910 [0,0,0,0,2,0|0,0,2]=4 843 B9R0.7 N[C@@H](CCC(=O)[O-])C(=O)O MCULE-2315425063 [0,0,0,0,2,0|0,0,1]=3 844 B9R0.7 N[C@@H](CCC(=O)[O-])C(=O)O MCULE-4367391999 [0,0,0,0,2,0|0,0,1]=3 845 B9R0.7 N[C@H](CCC(=O)O)C(=O)O MCULE-5884691541 [0,0,0,0,2,0|0,0,0]=2 846 B9R0.7 N[C@H](CCC(=O)O)C(=O)O MCULE-6647836957 [0,0,0,0,2,0|0,0,0]=2 847 B9R0.7 O=C(O)CCC(=O)C(=O)O MCULE-5148157449 [0,0,0,0,2,0|1,0,1]=4 848 B9R0.7 O=C(O)CCC(Cl)C(=O)O MCULE-8696439839 [0,0,0,0,2,0|1,0,0]=3 849 B9R0.7 O=C(O)CCC(O)C(=O)O MCULE-5732806069 [0,0,0,0,2,0|1,0,0]=3 850 B9R0.7 O=C(O)CC[C@@H](O)C(=O)O MCULE-2990674754 [0,0,0,0,2,0|1,0,0]=3 851 B9R0.7 O=C(O)CC[C@@H](O)C(=O)O MCULE-9463608806 [0,0,0,0,2,0|1,0,0]=3 852 B9R0.7 O=C(O)CC[C@H](Br)C(=O)O MCULE-3541564241 [0,0,0,0,2,0|1,0,0]=3 853 B9R0.7 O=C(O)CC[C@H](Br)C(=O)O MCULE-5484001209 [0,0,0,0,2,0|1,0,0]=3 854 B9R0.7 O=C(O)CC[C@H](Cl)C(=O)O MCULE-4338578978 [0,0,0,0,2,0|1,0,0]=3 855 B9R0.7 O=C(O)CC[C@H](O)C(=O)O MCULE-4494756126 [0,0,0,0,2,0|1,0,0]=3 856 B9R0.7 P(=O)(O)CC[C@H](N)C(=O)O MCULE-2875179933 [0,0,0,0,2,0|1,0,0]=3 857 B9R0.7 [C@H](N)(CCC(=O)O)C(=O)N MCULE-1881473683 [0,0,0,0,2,0|1,0,0]=3 858 B9R0.7 [C@H](N)(CCC(=O)O)C(=O)O MCULE-8526087521 [0,0,0,0,2,0|0,0,0]=2 859 B9R0.7 [C@H](N)(CCS(=O)C)C(=O)O MCULE-2995684872 [0,0,0,0,2,0|2,0,0]=4 860 B9R0.7 [C@H](O)(CCC(=O)O)C(=O)O MCULE-8564542509 [0,0,0,0,2,0|1,0,0]=3 861 B11R0.2 CCCCCCC(N)CC(=O)O MCULE-6987665804 [1,0,0,0,0,1|1,0,1]=4 862 B11R0.2 CCCCCCC(N)CC(=O)O MCULE-8299240038 [1,0,0,0,0,1|1,0,1]=4 863 B11R0.30 C=C(Br)CCCCCCC(=O)O MCULE-6895852201 [1,0,0,0,0,1|2,0,0]=4 864 B11R0.30 C=C(C)CCCCCCC(=O)O MCULE-4818988928 [1,0,0,0,0,1|2,0,0]=4 865 B11R0.30 C=C(Cl)CCCCCCC(=O)O MCULE-6082663554 [1,0,0,0,0,1|2,0,0]=4 866 B11R0.30 CC(=O)CCCCCCC(=O)C MCULE-3854362746 [1,0,0,0,0,1|2,0,0]=4 867 B11R0.30 CC(=O)CCCCCCC(=O)O MCULE-6390414263 [1,0,0,0,0,1|1,0,0]=3 868 B11R0.30 CC(=O)NCCCCCC(=O)Cl MCULE-3079585004 [1,0,0,0,0,1|2,0,0]=4 869 B11R0.30 CC(=O)NCCCCCC(=O)O MCULE-2324288602 [1,0,0,0,0,1|1,0,0]=3 870 B11R0.30 CC(=O)SCCCCCC(=O)O MCULE-7058924302 [1,0,0,0,0,1|1,0,0]=3 871 B11R0.30 CC(O)CCCCCCC(=O)O MCULE-7012579621 [1,0,0,0,0,1|1,0,1]=4 872 B11R0.30 N=C(N)NCCCCCC(=O)O MCULE-3719990664 [1,0,0,0,0,1|2,0,0]=4 873 B11R0.30 N=C(N)NCCCCCC(=O)O MCULE-6681139380 [1,0,0,0,0,1|2,0,0]=4 874 B11R0.30 NC(=O)NCCCCCC(=O)O MCULE-5723327422 [1,0,0,0,0,1|1,0,0]=3 875 B11R0.30 O=C(Cl)CCCCCCC(=O)Cl MCULE-1634153909 [1,0,0,0,0,1|2,0,0]=4 876 B11R0.30 O=C(O)CC/C=C/CCC(=O)O MCULE-1948311077 [1,0,0,0,0,1|0,0,1]=3 877 B11R0.30 O=C(O)CCC=CCCC(=O)O MCULE-2875946233 [1,0,0,0,0,1|0,0,1]=3 878 B11R0.30 O=C(O)CCCCCCC(=O)O MCULE-1380155289 [1,0,0,0,0,1|0,0,0]=2 879 B11R0.30 O=C(O)CCCCNCC(=O)O MCULE-2095125616 [1,0,0,0,0,1|0,0,0]=2 880 B11R0.30 O=C(O)CCCCNCC(=O)O MCULE-2375984351 [1,0,0,0,0,1|0,0,0]=2 881 B11R0.30 O=C(O)CCCNCCC(=O)O MCULE-6189914759 [1,0,0,0,0,1|0,0,0]=2 882 B11R0.30 O=C(O)CCCNCCC(=O)O MCULE-8504773832 [1,0,0,0,0,1|0,0,0]=2 883 B11R0.30 O=C(O)CCSSCCC(=O)O MCULE-3923810057 [1,0,0,0,0,1|1,0,0]=3 884 B11R0.30 O=C(O)CNCCNCC(=O)O MCULE-1432102503 [1,0,0,0,0,1|1,0,0]=3 885 B11R0.30 O=C(O)COCCOCC(=O)O MCULE-8327328188 [1,0,0,0,0,1|1,0,0]=3 886 B11R0.30 O=C(O)CSCCSCC(=O)O MCULE-2894370528 [1,0,0,0,0,1|1,0,0]=3 887 B13R0.180 CC(=N)NCCSCC[C@H](N)C(=O)O MCULE-1504061521 [0,0,0,0,0,2|2,0,0]=4 888 B13R0.180 CC(=N)NCCSCC[C@H](N)C(=O)O MCULE-2897871968 [0,0,0,0,0,2|2,0,0]=4 889 B13R0.180 CC(=N)NCCSCC[C@H](N)C(=O)O MCULE-8651286367 [0,0,0,0,0,2|2,0,0]=4 890 B13R0.180 CC(=N)NCCSCC[C@H](N)C(=O)O MCULE-9288179859 [0,0,0,0,0,2|2,0,0]=4 891 B13R0.180 CC(=O)NCCSCCC(N)C(=O)O MCULE-8007592929 [0,0,0,0,0,2|1,0,0]=3 892 B13R0.180 N[C@@H](CCCCNCC(=O)O)C(=O)O MCULE-2990158071 [0,0,0,0,0,2|0,0,0]=2 893 B13R0.180 N[C@@H](CCCCNCC(=O)O)C(=O)O MCULE-8044893771 [0,0,0,0,0,2|0,0,0]=2