0 B12R0.264 C[N+](C)(C)CCCC[C@H](N)C(=O)O MCULE-3247491876 [0,0,0,0,0,0|4,0,0]=4 1 B12R0.264 C[N+](C)(C)CCCC[C@H](N)C(=O)O MCULE-9954823613 [0,0,0,0,0,0|4,0,0]=4 2 B12R0.264 NC(CC=CCP(=O)(O)O)C(=O)O MCULE-8957718744 [0,0,0,0,0,0|1,0,3]=4 3 B12R0.264 NC(CCCCP(=O)(O)O)C(=O)O MCULE-4265556920 [0,0,0,0,0,0|1,0,1]=2 4 B12R0.264 [C@H](N)(CCCCP(=O)(O)O)C(=O)O MCULE-3135079588 [0,0,0,0,0,0|1,0,1]=2 5 B11R0.29 CN(C)CCCCC(N)C(=O)O MCULE-6147962384 [1,0,0,0,0,0|3,0,0]=4 6 B11R0.29 CN(C)CCCCC(N)C(=O)O MCULE-7967152551 [1,0,0,0,0,0|3,0,0]=4 7 B11R0.29 CN(C)CCCC[C@H](N)C(=O)O MCULE-3135800759 [1,0,0,0,0,0|3,0,0]=4 8 B11R0.29 CN(C)CCCC[C@H](N)C(=O)O MCULE-4133814403 [1,0,0,0,0,0|3,0,0]=4 9 B11R0.29 CN(C)CCCC[C@H](N)C(=O)O MCULE-7654882207 [1,0,0,0,0,0|3,0,0]=4 10 B11R0.29 CN(C)CCCC[C@H](N)C(=O)O MCULE-8592172298 [1,0,0,0,0,0|3,0,0]=4 11 B11R0.29 NC(CCCCC(=O)O)C(=O)O MCULE-2486712857 [1,0,0,0,0,0|1,0,1]=3 12 B11R0.29 NC(CSCCB(O)O)C(=O)O MCULE-7425052021 [1,0,0,0,0,0|1,0,1]=3 13 B11R0.29 NC(CSCCB(O)O)C(=O)O MCULE-8991194580 [1,0,0,0,0,0|1,0,1]=3 14 B11R0.29 NC(CSCCC(=O)O)C(=O)O MCULE-1817232859 [1,0,0,0,0,0|2,0,1]=4 15 B11R0.29 N[C@@H](CCCCB(O)O)C(=O)O MCULE-3187192569 [1,0,0,0,0,0|0,0,1]=2 16 B11R0.29 N[C@@H](CCCCB(O)O)C(=O)O MCULE-7635800556 [1,0,0,0,0,0|0,0,1]=2 17 B11R0.29 N[C@@H](CCCCB(O)O)C(=O)O MCULE-7716159403 [1,0,0,0,0,0|0,0,1]=2 18 B11R0.29 N[C@@H](CCCCB(O)O)C(=O)O MCULE-8309654000 [1,0,0,0,0,0|0,0,1]=2 19 B11R0.29 N[C@@H](CCCCC(=O)O)C(=O)O MCULE-3457014875 [1,0,0,0,0,0|1,0,1]=3 20 B11R0.29 N[C@@H](CCCCC(=O)O)C(=O)O MCULE-4557682979 [1,0,0,0,0,0|1,0,1]=3 21 B11R0.29 N[C@@H](CSCCB(O)O)C(=O)O MCULE-1378566517 [1,0,0,0,0,0|1,0,1]=3 22 B11R0.29 N[C@@H](CSCCB(O)O)C(=O)O MCULE-2158139364 [1,0,0,0,0,0|1,0,1]=3 23 B11R0.29 N[C@@H](CSCCB(O)O)C(=O)O MCULE-8839722581 [1,0,0,0,0,0|1,0,1]=3 24 B11R0.29 N[C@@H](CSCCB(O)O)C(=O)O MCULE-8903543883 [1,0,0,0,0,0|1,0,1]=3 25 B11R0.29 N[C@@H](CSCCC(=O)O)C(=O)O MCULE-2469874774 [1,0,0,0,0,0|2,0,1]=4 26 B11R0.29 N[C@@H](CSCCC(=O)O)C(=O)O MCULE-8976065741 [1,0,0,0,0,0|2,0,1]=4 27 B11R0.29 N[C@H](CCCCC(=O)O)C(=O)O MCULE-7148013181 [1,0,0,0,0,0|1,0,1]=3 28 B11R0.29 N[C@H](CCCCC(=O)O)C(=O)O MCULE-8965199592 [1,0,0,0,0,0|1,0,1]=3 29 B11R0.29 N[C@H](CSCCC(=O)O)C(=O)O MCULE-5217293992 [1,0,0,0,0,0|2,0,1]=4 30 B11R0.31 O=C(O)CCCCCP(=O)(O)O MCULE-8946955517 [1,0,0,0,0,0|1,0,1]=3 31 B13R0.409 CC(N)(CCCCP(=O)(O)O)C(=O)O MCULE-6301691591 [0,1,0,0,0,0|1,0,1]=3 32 B11R0.318 NC(CCCP(=O)(O)O)C(=O)O MCULE-8623591326 [0,0,0,0,1,0|1,0,1]=3 33 B11R0.318 NC(CCCP(=O)(O)O)C(=O)[O-] MCULE-1190482144 [0,0,0,0,1,0|1,0,2]=4 34 B11R0.318 NC(CCCP(=O)([O-])O)C(=O)O MCULE-7628102703 [0,0,0,0,1,0|1,0,2]=4 35 B11R0.318 N[C@@H](CCCP(=O)(O)O)C(=O)O MCULE-4298011103 [0,0,0,0,1,0|1,0,1]=3 36 B11R0.318 N[C@@H](CCCP(=O)([O-])O)C(=O)O MCULE-2274115416 [0,0,0,0,1,0|1,0,2]=4 37 B11R0.318 N[C@H](CCCP(=O)(O)O)C(=O)O MCULE-4903649245 [0,0,0,0,1,0|1,0,1]=3 38 B11R0.318 N[C@H](CCCP(=O)(O)O)C(=O)O MCULE-6840301080 [0,0,0,0,1,0|1,0,1]=3 39 B13R0.354 NC(CCCCCP(=O)(O)O)C(=O)O MCULE-7179125158 [0,0,0,0,0,1|1,0,1]=3 40 B13R0.354 N[C@@H](CCCCCP(=O)(O)O)C(=O)O MCULE-6613789913 [0,0,0,0,0,1|1,0,1]=3 41 B13R0.354 N[C@H](CCCCCP(=O)(O)O)C(=O)O MCULE-9148705810 [0,0,0,0,0,1|1,0,1]=3 42 B13R0.354 [C@@H](N)(CCCCCP(=O)(O)O)C(=O)O MCULE-2543492016 [0,0,0,0,0,1|1,0,1]=3 43 B10R0.75 C=CCCCCC(N)C(=O)O MCULE-9003674294 [2,0,0,0,0,0|2,0,0]=4 44 B10R0.75 C=CCCCC[C@@H](N)C(=O)O MCULE-5424595854 [2,0,0,0,0,0|2,0,0]=4 45 B10R0.75 C=CCCCC[C@@H](N)C(=O)O MCULE-7894205841 [2,0,0,0,0,0|2,0,0]=4 46 B10R0.75 C=CCCCC[C@H](N)C(=O)O MCULE-6386840550 [2,0,0,0,0,0|2,0,0]=4 47 B10R0.75 C=CCCCC[C@H](N)C(=O)O MCULE-8206632491 [2,0,0,0,0,0|2,0,0]=4 48 B10R0.75 CCCCCCC(N)C(=O)O MCULE-2527731470 [2,0,0,0,0,0|2,0,0]=4 49 B10R0.75 CCCCCCC(N)C(=O)O MCULE-5498377990 [2,0,0,0,0,0|2,0,0]=4 50 B10R0.75 CCCCCC[C@@H](N)C(=O)O MCULE-9163680563 [2,0,0,0,0,0|2,0,0]=4 51 B10R0.75 CCCCCC[C@@H](N)C(=O)O MCULE-9959237270 [2,0,0,0,0,0|2,0,0]=4 52 B10R0.75 CCCCCC[C@H](N)C(=O)O MCULE-6660531044 [2,0,0,0,0,0|2,0,0]=4 53 B10R0.75 CCCCCC[C@H](N)C(=O)O MCULE-7151037911 [2,0,0,0,0,0|2,0,0]=4 54 B10R0.75 CNCCCCC(N)C(=O)O MCULE-5703952072 [2,0,0,0,0,0|2,0,0]=4 55 B10R0.75 CNCCCCC(N)C(=O)O MCULE-8267439974 [2,0,0,0,0,0|2,0,0]=4 56 B10R0.75 CNCCCC[C@H](N)C(=O)O MCULE-4130643324 [2,0,0,0,0,0|2,0,0]=4 57 B10R0.75 CNCCCC[C@H](N)C(=O)O MCULE-5394599260 [2,0,0,0,0,0|2,0,0]=4 58 B10R0.75 CNCCCC[C@H](N)C(=O)O MCULE-6328038825 [2,0,0,0,0,0|2,0,0]=4 59 B10R0.75 CNCCCC[C@H](N)C(=O)O MCULE-6736060504 [2,0,0,0,0,0|2,0,0]=4 60 B10R0.75 NC(CSCCCO)C(=O)O MCULE-6250464318 [2,0,0,0,0,0|2,0,0]=4 61 B10R0.75 NCCCCC[C@@H](N)C(=O)O MCULE-7846811170 [2,0,0,0,0,0|2,0,0]=4 62 B10R0.75 NCCCCC[C@@H](N)C(=O)O MCULE-8562914837 [2,0,0,0,0,0|2,0,0]=4 63 B10R0.75 NCCCCC[C@H](N)C(=O)O MCULE-4522889843 [2,0,0,0,0,0|2,0,0]=4 64 B10R0.75 NCCCCC[C@H](N)C(=O)O MCULE-9026496023 [2,0,0,0,0,0|2,0,0]=4 65 B10R0.75 N[C@@H](CCSCCO)C(=O)O MCULE-2974080305 [2,0,0,0,0,0|2,0,0]=4 66 B10R0.75 N[C@@H](CSCCCO)C(=O)O MCULE-1323141415 [2,0,0,0,0,0|2,0,0]=4 67 B10R0.75 N[C@@H](CSCCCO)C(=O)O MCULE-8256841743 [2,0,0,0,0,0|2,0,0]=4 68 B10R0.97 CC(O)CCCCCC(=O)O MCULE-8533691013 [2,0,0,0,0,0|2,0,0]=4 69 B10R0.97 O=C(O)CCCCCC(=O)O MCULE-9618389016 [2,0,0,0,0,0|1,0,1]=4 70 B12R0.627 NC(CCCC(N)C(=O)O)C(=O)O MCULE-5199298661 [1,1,0,0,0,0|1,0,1]=4 71 B12R0.627 N[C@@H](CCC[C@@H](N)C(=O)O)C(=O)O MCULE-5816483960 [1,1,0,0,0,0|1,0,1]=4 72 B12R0.627 N[C@@H](CCC[C@H](N)C(=O)O)C(=O)O MCULE-1778670578 [1,1,0,0,0,0|1,0,1]=4 73 B12R0.627 N[C@@H](CCC[C@H](N)C(=O)O)C(=O)O MCULE-9178941791 [1,1,0,0,0,0|1,0,1]=4 74 B12R1.258 O=C(O)C1CCCC(N1)C(=O)O MCULE-1816268674 [1,0,0,1,0,0|1,0,1]=4 75 B12R1.258 O=C(O)[C@@H]1CCC[C@@H](N1)C(=O)O MCULE-3140137492 [1,0,0,1,0,0|1,0,1]=4 76 B10R0.98 NC(CCCC(=O)O)C(=O)O MCULE-3021567253 [1,0,0,0,1,0|1,0,1]=4 77 B10R0.98 NC(CCCC(=O)O)C(=O)O MCULE-7434229402 [1,0,0,0,1,0|1,0,1]=4 78 B10R0.98 NC(CCCC(=O)O)C(=O)O MCULE-8474963048 [1,0,0,0,1,0|1,0,1]=4 79 B10R0.98 N[C@@H](CCCC(=O)O)C(=O)O MCULE-1991686030 [1,0,0,0,1,0|1,0,1]=4 80 B10R0.98 N[C@@H](CCCC(=O)O)C(=O)O MCULE-6053925503 [1,0,0,0,1,0|1,0,1]=4 81 B10R0.98 N[C@H](CCCC(=O)O)C(=O)O MCULE-3179500404 [1,0,0,0,1,0|1,0,1]=4 82 B10R0.98 N[C@H](CCCC(=O)O)C(=O)O MCULE-9722366772 [1,0,0,0,1,0|1,0,1]=4 83 B10R0.92 NC(CCP(=O)(O)O)C(=O)O MCULE-2756478197 [0,0,0,0,2,0|1,0,1]=4 84 B10R0.92 N[C@@H](CCP(=O)(O)O)C(=O)O MCULE-3863533502 [0,0,0,0,2,0|1,0,1]=4 85 B10R0.92 N[C@@H](CCP(=O)(O)O)C(=O)O MCULE-3988880216 [0,0,0,0,2,0|1,0,1]=4 86 B10R0.92 N[C@H](CCP(=O)(O)O)C(=O)O MCULE-4319868114 [0,0,0,0,2,0|1,0,1]=4 87 B12R0.42 NC(CCCCCC(=O)O)C(=O)O MCULE-7949829956 [1,0,0,0,0,1|1,0,1]=4 88 B12R0.42 NC(CSCCCC(=O)O)C(=O)O MCULE-6552348472 [1,0,0,0,0,1|1,0,1]=4 89 B12R0.42 N[C@@H](CCCCCC(=O)O)C(=O)O MCULE-2069821066 [1,0,0,0,0,1|1,0,1]=4 90 B12R0.42 N[C@@H](CCCCCC(=O)O)C(=O)O MCULE-3495032122 [1,0,0,0,0,1|1,0,1]=4 91 B12R0.42 N[C@@H](CSCCCC(=O)O)C(=O)O MCULE-1221416102 [1,0,0,0,0,1|1,0,1]=4 92 B12R0.42 N[C@@H](CSCCCC(=O)O)C(=O)O MCULE-2038684739 [1,0,0,0,0,1|1,0,1]=4 93 B12R0.42 N[C@H](CCCCCC(=O)O)C(=O)O MCULE-2692259414 [1,0,0,0,0,1|1,0,1]=4 94 B12R0.42 N[C@H](CCCCCC(=O)O)C(=O)O MCULE-6806526657 [1,0,0,0,0,1|1,0,1]=4 95 B14R0.518 NC(CCCCCCP(=O)(O)O)C(=O)O MCULE-7690975952 [0,0,0,0,0,2|1,0,1]=4