0 B10R0.98 CC(=O)CCCC(C)C(=O)O MCULE-5760169093 [0,0,0,0,0,0|3,0,0]=3 1 B10R0.98 CC(=O)NCC[C@H](N)C(=O)O MCULE-5384056558 [0,0,0,0,0,0|3,0,0]=3 2 B10R0.98 CC(=O)NCC[C@H](N)C(=O)O MCULE-9151560319 [0,0,0,0,0,0|3,0,0]=3 3 B10R0.98 CC(=O)OCCC(N)C(=O)O MCULE-7691334763 [0,0,0,0,0,0|3,0,0]=3 4 B10R0.98 CC(=O)OCCC(N)C(=O)O MCULE-9993433450 [0,0,0,0,0,0|3,0,0]=3 5 B10R0.98 CC(=O)OCC[C@H](N)C(=O)O MCULE-5425852779 [0,0,0,0,0,0|3,0,0]=3 6 B10R0.98 CC(=O)OCC[C@H](N)C(=O)O MCULE-6909234177 [0,0,0,0,0,0|3,0,0]=3 7 B10R0.98 CC(C)CCCC(N)C(=O)O MCULE-5699505174 [0,0,0,0,0,0|3,0,1]=4 8 B10R0.98 CC(C)CCCC(N)C(=O)O MCULE-8151358815 [0,0,0,0,0,0|3,0,1]=4 9 B10R0.98 CC(C)CCC[C@H](N)C(=O)O MCULE-3341158972 [0,0,0,0,0,0|3,0,1]=4 10 B10R0.98 CC(C)CCC[C@H](N)C(=O)O MCULE-6452147303 [0,0,0,0,0,0|3,0,1]=4 11 B10R0.98 CC(CCCC(=O)Cl)C(=O)Cl MCULE-7532082954 [0,0,0,0,0,0|4,0,0]=4 12 B10R0.98 CC(N)CCCC(C)C(=O)O MCULE-5130020295 [0,0,0,0,0,0|3,0,1]=4 13 B10R0.98 CC(N)CCCC(C)C(=O)O MCULE-6070288614 [0,0,0,0,0,0|3,0,1]=4 14 B10R0.98 CN(C)CCC[C@H](N)C(=O)O MCULE-9481059271 [0,0,0,0,0,0|4,0,0]=4 15 B10R0.98 N=C(N)NCCC(N)C(=O)O MCULE-2234773343 [0,0,0,0,0,0|3,0,0]=3 16 B10R0.98 N=C(N)NCCC(N)C(=O)O MCULE-9635728361 [0,0,0,0,0,0|3,0,0]=3 17 B10R0.98 N=C(N)NCC[C@H](N)C(=O)O MCULE-5360635274 [0,0,0,0,0,0|3,0,0]=3 18 B10R0.98 N=C(N)NCC[C@H](N)C(=O)O MCULE-7633853490 [0,0,0,0,0,0|3,0,0]=3 19 B10R0.98 NC(CCCC(=O)O)C(=O)O MCULE-3021567253 [0,0,0,0,0,0|2,0,0]=2 20 B10R0.98 NC(CCCC(=O)O)C(=O)O MCULE-7434229402 [0,0,0,0,0,0|2,0,0]=2 21 B10R0.98 NC(CCCC(=O)O)C(=O)O MCULE-8474963048 [0,0,0,0,0,0|2,0,0]=2 22 B10R0.98 NC(CSCC(=O)O)C(=O)O MCULE-1997609241 [0,0,0,0,0,0|1,0,0]=1 23 B10R0.98 N[C@@H](CCCC(=O)O)C(=O)O MCULE-1991686030 [0,0,0,0,0,0|2,0,0]=2 24 B10R0.98 N[C@@H](CCCC(=O)O)C(=O)O MCULE-6053925503 [0,0,0,0,0,0|2,0,0]=2 25 B10R0.98 N[C@@H](CSC=C(Cl)Cl)C(=O)O MCULE-5838139886 [0,0,0,0,0,0|2,0,1]=3 26 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O MCULE-3291004829 [0,0,0,0,0,0|1,0,0]=1 27 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O MCULE-3828091379 [0,0,0,0,0,0|1,0,0]=1 28 B10R0.98 N[C@H](CCCC(=O)O)C(=O)O MCULE-3179500404 [0,0,0,0,0,0|2,0,0]=2 29 B10R0.98 N[C@H](CCCC(=O)O)C(=O)O MCULE-9722366772 [0,0,0,0,0,0|2,0,0]=2 30 B10R0.98 O=C(O)CCCC(=O)C(=O)O MCULE-5978557881 [0,0,0,0,0,0|3,0,1]=4 31 B10R0.98 O=C(O)CCCC(O)C(=O)O MCULE-5970708862 [0,0,0,0,0,0|3,0,0]=3 32 B10R0.98 O=C(O)CCC[C@H](O)C(=O)O MCULE-4157551693 [0,0,0,0,0,0|3,0,0]=3 33 B10R0.98 O=C([O-])CCCC(O)C(=O)[O-] MCULE-7990606586 [0,0,0,0,0,0|3,0,1]=4 34 B9R0.47 C#CCCC[C@@H](N)C(=O)O MCULE-1522125822 [1,0,0,0,0,0|2,0,1]=4 35 B9R0.47 C#CCCC[C@@H](N)C(=O)O MCULE-2184948430 [1,0,0,0,0,0|2,0,1]=4 36 B9R0.47 C#CCCC[C@H](N)C(=O)O MCULE-3478575968 [1,0,0,0,0,0|2,0,1]=4 37 B9R0.47 C#CCCC[C@H](N)C(=O)O MCULE-5307313414 [1,0,0,0,0,0|2,0,1]=4 38 B9R0.47 C#CCOC[C@H](N)C(=O)O MCULE-8879805332 [1,0,0,0,0,0|1,1,1]=4 39 B9R0.47 C#CCSCC(N)C(=O)O MCULE-8696971754 [1,0,0,0,0,0|1,0,1]=3 40 B9R0.47 C#CCSC[C@H](N)C(=O)O MCULE-9301300062 [1,0,0,0,0,0|1,0,1]=3 41 B9R0.47 C(N)(CCCCN)C(=O)O MCULE-7060791798 [1,0,0,0,0,0|1,0,1]=3 42 B9R0.47 C/C=C/SC[C@H](N)C(=O)O MCULE-2540874981 [1,0,0,0,0,0|1,0,1]=3 43 B9R0.47 C=CCCCC(N)C(=O)O MCULE-3707920281 [1,0,0,0,0,0|2,0,0]=3 44 B9R0.47 C=CCCCC(N)C(=O)O MCULE-5939027667 [1,0,0,0,0,0|2,0,0]=3 45 B9R0.47 C=CCCCC(N)C(=O)O MCULE-6095387409 [1,0,0,0,0,0|2,0,0]=3 46 B9R0.47 C=CCCC[C@@H](N)C(=O)O MCULE-2101628204 [1,0,0,0,0,0|2,0,0]=3 47 B9R0.47 C=CCCC[C@@H](N)C(=O)O MCULE-7328150693 [1,0,0,0,0,0|2,0,0]=3 48 B9R0.47 C=CCCC[C@H](N)C(=O)O MCULE-1162071877 [1,0,0,0,0,0|2,0,0]=3 49 B9R0.47 C=CCCC[C@H](N)C(=O)O MCULE-7245809917 [1,0,0,0,0,0|2,0,0]=3 50 B9R0.47 C=CCSCC(N)C(=O)O MCULE-6058548878 [1,0,0,0,0,0|1,0,0]=2 51 B9R0.47 C=CCSCC(N)C(=O)O MCULE-9209051108 [1,0,0,0,0,0|1,0,0]=2 52 B9R0.47 C=CCSC[C@@H](N)C(=O)O MCULE-8305031365 [1,0,0,0,0,0|1,0,0]=2 53 B9R0.47 C=CCSC[C@@H](N)C(=O)O MCULE-9911064679 [1,0,0,0,0,0|1,0,0]=2 54 B9R0.47 C=CCSC[C@H](N)C(=O)O MCULE-8106938913 [1,0,0,0,0,0|1,0,0]=2 55 B9R0.47 C=CCSC[C@H](N)C(=O)O MCULE-8215284816 [1,0,0,0,0,0|1,0,0]=2 56 B9R0.47 C=CCSC[C@H](N)C(=O)O MCULE-9415243514 [1,0,0,0,0,0|1,0,0]=2 57 B9R0.47 C=CSCC[C@H](N)C(=O)O MCULE-2736074137 [1,0,0,0,0,0|3,0,0]=4 58 B9R0.47 CC(CSCCN)C(=O)O MCULE-8181129041 [1,0,0,0,0,0|1,0,1]=3 59 B9R0.47 CC(CSCCN)C(=O)O MCULE-9927031234 [1,0,0,0,0,0|1,0,1]=3 60 B9R0.47 CC=CSC[C@H](N)C(=O)O MCULE-2840170360 [1,0,0,0,0,0|1,0,1]=3 61 B9R0.47 CCCCCC(N)C(=O)O MCULE-5558679374 [1,0,0,0,0,0|2,0,1]=4 62 B9R0.47 CCCCCC(N)C(=O)O MCULE-8607576790 [1,0,0,0,0,0|2,0,1]=4 63 B9R0.47 CCCCC[C@@H](N)C(=O)O MCULE-3981603450 [1,0,0,0,0,0|2,0,1]=4 64 B9R0.47 CCCCC[C@@H](N)C(=O)O MCULE-6090735433 [1,0,0,0,0,0|2,0,1]=4 65 B9R0.47 CCCCC[C@H](N)C(=O)O MCULE-8108024359 [1,0,0,0,0,0|2,0,1]=4 66 B9R0.47 CCCCC[C@H](N)C(=O)O MCULE-9961773652 [1,0,0,0,0,0|2,0,1]=4 67 B9R0.47 CCCSCC(N)C(=O)O MCULE-1465196294 [1,0,0,0,0,0|1,0,1]=3 68 B9R0.47 CCCSCC(N)C(=O)O MCULE-2196835186 [1,0,0,0,0,0|1,0,1]=3 69 B9R0.47 CCCSC[C@H](N)C(=O)O MCULE-2274873569 [1,0,0,0,0,0|1,0,1]=3 70 B9R0.47 CSCSC[C@H](N)C(=O)O MCULE-2792975111 [1,0,0,0,0,0|2,0,0]=3 71 B9R0.47 N/N=C/NC[C@H](N)C(=O)O MCULE-5611888169 [1,0,0,0,0,0|2,0,1]=4 72 B9R0.47 N/N=C/NC[C@H](N)C(=O)O MCULE-6448566029 [1,0,0,0,0,0|2,0,1]=4 73 B9R0.47 NC(CCCCO)C(=O)O MCULE-7372730935 [1,0,0,0,0,0|1,0,2]=4 74 B9R0.47 NC(CSCCO)C(=O)O MCULE-9765321939 [1,0,0,0,0,0|0,0,2]=3 75 B9R0.47 NCC#CCC(N)C(=O)O MCULE-6095484409 [1,0,0,0,0,0|1,0,2]=4 76 B9R0.47 NCC#CCC(N)C(=O)O MCULE-8713805302 [1,0,0,0,0,0|1,0,2]=4 77 B9R0.47 NCC=CCC(N)C(=O)O MCULE-9924781011 [1,0,0,0,0,0|1,0,2]=4 78 B9R0.47 NCCCCC(N)C(=O)N MCULE-5695768231 [1,0,0,0,0,0|2,0,1]=4 79 B9R0.47 NCCCCC(N)C(=O)N MCULE-8502146041 [1,0,0,0,0,0|2,0,1]=4 80 B9R0.47 NCCCCC(N)C(=O)O MCULE-1411873021 [1,0,0,0,0,0|1,0,1]=3 81 B9R0.47 NCCCCC(N)C(=O)O MCULE-1436032977 [1,0,0,0,0,0|1,0,1]=3 82 B9R0.47 NCCCCC(N)C(=O)O MCULE-5737537430 [1,0,0,0,0,0|1,0,1]=3 83 B9R0.47 NCCCCC(N)C(=O)O MCULE-6537319758 [1,0,0,0,0,0|1,0,1]=3 84 B9R0.47 NCCCCC(N)C(=O)O MCULE-9665753367 [1,0,0,0,0,0|1,0,1]=3 85 B9R0.47 NCCCC[C@@H](N)C(=O)O MCULE-2051883110 [1,0,0,0,0,0|1,0,1]=3 86 B9R0.47 NCCCC[C@@H](N)C(=O)O MCULE-2174845427 [1,0,0,0,0,0|1,0,1]=3 87 B9R0.47 NCCCC[C@@H](N)C(=O)O MCULE-7229907816 [1,0,0,0,0,0|1,0,1]=3 88 B9R0.47 NCCCC[C@@H](N)C(=O)O MCULE-7646209988 [1,0,0,0,0,0|1,0,1]=3 89 B9R0.47 NCCCC[C@H](N)C(=O)N MCULE-2490465776 [1,0,0,0,0,0|2,0,1]=4 90 B9R0.47 NCCCC[C@H](N)C(=O)N MCULE-5523101334 [1,0,0,0,0,0|2,0,1]=4 91 B9R0.47 NCCCC[C@H](N)C(=O)N MCULE-7682920289 [1,0,0,0,0,0|2,0,1]=4 92 B9R0.47 NCCCC[C@H](N)C(=O)N MCULE-9381942600 [1,0,0,0,0,0|2,0,1]=4 93 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-1814780282 [1,0,0,0,0,0|1,0,1]=3 94 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-2585671029 [1,0,0,0,0,0|1,0,1]=3 95 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-2735109468 [1,0,0,0,0,0|1,0,1]=3 96 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-3226089160 [1,0,0,0,0,0|1,0,1]=3 97 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-4736099943 [1,0,0,0,0,0|1,0,1]=3 98 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-5602916309 [1,0,0,0,0,0|1,0,1]=3 99 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-5669080418 [1,0,0,0,0,0|1,0,1]=3 100 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-5771120494 [1,0,0,0,0,0|1,0,1]=3 101 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-6467055628 [1,0,0,0,0,0|1,0,1]=3 102 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-7268734331 [1,0,0,0,0,0|1,0,1]=3 103 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-7702716758 [1,0,0,0,0,0|1,0,1]=3 104 B9R0.47 NCCCC[C@H]([NH3+])C(=O)O MCULE-1421201563 [1,0,0,0,0,0|1,0,2]=4 105 B9R0.47 NCCOCC(N)C(=O)O MCULE-7224841130 [1,0,0,0,0,0|0,1,1]=3 106 B9R0.47 NCCOCC(N)C(=O)O MCULE-7654083918 [1,0,0,0,0,0|0,1,1]=3 107 B9R0.47 NCCOC[C@H](N)C(=O)O MCULE-4415047402 [1,0,0,0,0,0|0,1,1]=3 108 B9R0.47 NCCOC[C@H](N)C(=O)O MCULE-4663780920 [1,0,0,0,0,0|0,1,1]=3 109 B9R0.47 NCCOC[C@H](N)C(=O)O MCULE-4696145098 [1,0,0,0,0,0|0,1,1]=3 110 B9R0.47 NCCOC[C@H](N)C(=O)O MCULE-9286897415 [1,0,0,0,0,0|0,1,1]=3 111 B9R0.47 NCCSCC(N)C(=O)O MCULE-5256853681 [1,0,0,0,0,0|0,0,1]=2 112 B9R0.47 NCCSCC(N)C(=O)O MCULE-7420723141 [1,0,0,0,0,0|0,0,1]=2 113 B9R0.47 NCCSCC(N)C(=O)O MCULE-9409306380 [1,0,0,0,0,0|0,0,1]=2 114 B9R0.47 NCCSC[C@H](N)C(=O)O MCULE-3159724083 [1,0,0,0,0,0|0,0,1]=2 115 B9R0.47 NCCSC[C@H](N)C(=O)O MCULE-4836746198 [1,0,0,0,0,0|0,0,1]=2 116 B9R0.47 NCCSC[C@H](N)C(=O)O MCULE-6032940560 [1,0,0,0,0,0|0,0,1]=2 117 B9R0.47 NCCSC[C@H](N)C(=O)O MCULE-6994785146 [1,0,0,0,0,0|0,0,1]=2 118 B9R0.47 NCC[Se]C[C@H](N)C(=O)O MCULE-1630938680 [1,0,0,0,0,0|0,1,1]=3 119 B9R0.47 N[C@@H](CCCCO)C(=O)O MCULE-1855458643 [1,0,0,0,0,0|1,0,2]=4 120 B9R0.47 N[C@@H](CCCCO)C(=O)O MCULE-3280637244 [1,0,0,0,0,0|1,0,2]=4 121 B9R0.47 N[C@@H](CCCNO)C(=O)O MCULE-2690192301 [1,0,0,0,0,0|2,0,1]=4 122 B9R0.47 N[C@@H](CCCNO)C(=O)O MCULE-8331389811 [1,0,0,0,0,0|2,0,1]=4 123 B9R0.47 N[C@@H](CCCNO)C(=O)O MCULE-9071251692 [1,0,0,0,0,0|2,0,1]=4 124 B9R0.47 N[C@@H](CCCNO)C(=O)O MCULE-9613387165 [1,0,0,0,0,0|2,0,1]=4 125 B9R0.47 N[C@@H](CCSN=O)C(=O)O MCULE-6471102114 [1,0,0,0,0,0|3,0,0]=4 126 B9R0.47 N[C@@H](CSCCO)C(=O)O MCULE-4219102659 [1,0,0,0,0,0|0,0,2]=3 127 B9R0.47 N[C@H](CSCCO)C(=O)O MCULE-6379323435 [1,0,0,0,0,0|0,0,2]=3 128 B9R0.47 [C@@H](N)(CCCCN)C(=O)O MCULE-2676284364 [1,0,0,0,0,0|1,0,1]=3 129 B9R0.47 [C@@H](N)(CCCCN)C(=O)O MCULE-3536027321 [1,0,0,0,0,0|1,0,1]=3 130 B9R0.47 [C@H](N)(CSCC#C)C(=O)O MCULE-3451460749 [1,0,0,0,0,0|1,0,1]=3 131 B9R0.55 C=C(Br)CCCCC(=O)O MCULE-9413125657 [1,0,0,0,0,0|3,0,0]=4 132 B9R0.55 C=C(C)CCCCC(=O)O MCULE-2837812117 [1,0,0,0,0,0|3,0,0]=4 133 B9R0.55 C=C(Cl)CCCCC(=O)O MCULE-6161023222 [1,0,0,0,0,0|3,0,0]=4 134 B9R0.55 CC(=O)CCCCC(=O)C MCULE-9230576763 [1,0,0,0,0,0|3,0,0]=4 135 B9R0.55 CC(=O)CCCCC(=O)O MCULE-6216368990 [1,0,0,0,0,0|2,0,0]=3 136 B9R0.55 CC(=O)NCCCC(=O)O MCULE-3194803041 [1,0,0,0,0,0|3,0,0]=4 137 B9R0.55 CC(=O)OCCCC(=O)O MCULE-3807110432 [1,0,0,0,0,0|3,0,0]=4 138 B9R0.55 CC(=O)SCCCC(=O)O MCULE-2047230148 [1,0,0,0,0,0|3,0,0]=4 139 B9R0.55 CC(C)CSCCC(=O)O MCULE-9529480904 [1,0,0,0,0,0|2,0,1]=4 140 B9R0.55 CC(N)CCCCC(=O)O MCULE-3306602652 [1,0,0,0,0,0|2,0,1]=4 141 B9R0.55 CC(N)CCCCC(=O)O MCULE-3909320120 [1,0,0,0,0,0|2,0,1]=4 142 B9R0.55 N=C(N)NCCCC(=O)O MCULE-6633038701 [1,0,0,0,0,0|3,0,0]=4 143 B9R0.55 NC(=O)CCCCC(=O)N MCULE-7701704987 [1,0,0,0,0,0|2,0,0]=3 144 B9R0.55 NC(=O)CCCCC(=O)O MCULE-6793890356 [1,0,0,0,0,0|1,0,0]=2 145 B9R0.55 NC(=O)CCNCC(=O)N MCULE-5287507547 [1,0,0,0,0,0|2,0,0]=3 146 B9R0.55 NC(=O)CSCCC(=O)O MCULE-5092203912 [1,0,0,0,0,0|0,0,0]=1 147 B9R0.55 NC(=O)NCCCC(=O)O MCULE-4986363363 [1,0,0,0,0,0|2,0,0]=3 148 B9R0.55 O=C(Cl)CCCCC(=O)Cl MCULE-9846069486 [1,0,0,0,0,0|3,0,0]=4 149 B9R0.55 O=C(O)/C=C/CCC(=O)O MCULE-8825957011 [1,0,0,0,0,0|2,0,1]=4 150 B9R0.55 O=C(O)C/C=C/CC(=O)O MCULE-6650386294 [1,0,0,0,0,0|2,0,1]=4 151 B9R0.55 O=C(O)C=CCCC(=O)O MCULE-7591781771 [1,0,0,0,0,0|2,0,1]=4 152 B9R0.55 O=C(O)CC=CCC(=O)O MCULE-4878757775 [1,0,0,0,0,0|2,0,1]=4 153 B9R0.55 O=C(O)CCCCC(=O)O MCULE-1336748609 [1,0,0,0,0,0|2,0,0]=3 154 B9R0.55 O=C(O)CCCCC(=O)O MCULE-3664126855 [1,0,0,0,0,0|2,0,0]=3 155 B9R0.55 O=C(O)CCCCC(=O)O MCULE-6331125687 [1,0,0,0,0,0|2,0,0]=3 156 B9R0.55 O=C(O)CCCCC(=O)O MCULE-7006255210 [1,0,0,0,0,0|2,0,0]=3 157 B9R0.55 O=C(O)CCCCC(=O)O MCULE-7155960751 [1,0,0,0,0,0|2,0,0]=3 158 B9R0.55 O=C(O)CNNCC(=O)O MCULE-8753369145 [1,0,0,0,0,0|3,0,0]=4 159 B9R0.55 O=C(O)CSSCC(=O)O MCULE-1938189832 [1,0,0,0,0,0|2,0,0]=3 160 B9R0.55 O=C(O)CSSCC(=O)O MCULE-2878758153 [1,0,0,0,0,0|2,0,0]=3 161 B9R0.55 O=C([O-])CCCCC(=O)O MCULE-3513522562 [1,0,0,0,0,0|2,0,0]=3 162 B9R0.55 O=C([O-])CCCCC(=O)O MCULE-5232497586 [1,0,0,0,0,0|2,0,0]=3 163 B9R0.55 O=C([O-])CCCCC(=O)O MCULE-9724137457 [1,0,0,0,0,0|2,0,0]=3 164 B9R0.55 O=C([O-])CCCCC(=O)[O-] MCULE-3830406639 [1,0,0,0,0,0|2,0,1]=4 165 B9R0.55 O=C([O-])CCCCC(=O)[O-] MCULE-8364635624 [1,0,0,0,0,0|2,0,1]=4 166 B11R0.109 COC(=O)CCCC(N)C(=O)O MCULE-6525672180 [0,1,0,0,0,0|2,0,0]=3 167 B11R0.109 COC(=O)CCCC(N)C(=O)O MCULE-9595280451 [0,1,0,0,0,0|2,0,0]=3 168 B11R0.109 COC(=O)CCC[C@H](N)C(=O)O MCULE-3482420480 [0,1,0,0,0,0|2,0,0]=3 169 B11R0.109 COC(=O)CCC[C@H](N)C(=O)O MCULE-4023404585 [0,1,0,0,0,0|2,0,0]=3 170 B11R0.109 COC(=O)CCC[C@H](N)C(=O)O MCULE-7929391321 [0,1,0,0,0,0|2,0,0]=3 171 B11R0.109 COC(=O)CCC[C@H](N)C(=O)O MCULE-8630961555 [0,1,0,0,0,0|2,0,0]=3 172 B11R0.109 N/C(=N\CCC(N)C(=O)O)/NO MCULE-3317847954 [0,1,0,0,0,0|2,0,1]=4 173 B11R0.109 N/C(=N\O)/NCC[C@H](N)C(=O)O MCULE-6818477347 [0,1,0,0,0,0|2,0,1]=4 174 B11R0.109 N=C(NO)NCCC(N)C(=O)O MCULE-1136835208 [0,1,0,0,0,0|3,0,0]=4 175 B11R0.109 N=C(NO)NCC[C@H](N)C(=O)O MCULE-1084312846 [0,1,0,0,0,0|3,0,0]=4 176 B11R0.109 N=C(NO)NCC[C@H](N)C(=O)O MCULE-4376787249 [0,1,0,0,0,0|3,0,0]=4 177 B11R0.109 N=C(NO)NCC[C@H](N)C(=O)O MCULE-5014640829 [0,1,0,0,0,0|3,0,0]=4 178 B11R0.109 N=C(NO)NCC[C@H](N)C(=O)O MCULE-5651762446 [0,1,0,0,0,0|3,0,0]=4 179 B11R0.109 N=C(NO)NCC[C@H](N)C(=O)O MCULE-6461612970 [0,1,0,0,0,0|3,0,0]=4 180 B11R0.109 N=C(NO)NCC[C@H](N)C(=O)O MCULE-9060251744 [0,1,0,0,0,0|3,0,0]=4 181 B11R0.150 CC(CCC(C)C(=O)O)C(=O)O MCULE-5912549588 [0,1,0,0,0,0|3,0,0]=4 182 B11R0.150 CC(SSC(C)C(=O)O)C(=O)O MCULE-4166467242 [0,1,0,0,0,0|3,0,0]=4 183 B11R0.150 NC(=O)C(Br)CCC(Br)C(=O)N MCULE-2705075437 [0,1,0,0,0,0|3,0,0]=4 184 B11R0.150 NC(CCC(N)C(=O)O)C(=O)O MCULE-3879325501 [0,1,0,0,0,0|2,0,0]=3 185 B11R0.150 NC(CCC(N)C(=O)O)C(=O)O MCULE-8835673266 [0,1,0,0,0,0|2,0,0]=3 186 B11R0.150 NC(CNC(=O)C(=O)O)C(=O)O MCULE-4369517479 [0,1,0,0,0,0|2,0,1]=4 187 B11R0.150 N[C@@H](CC[C@@H](N)C(=O)O)C(=O)O MCULE-1244462847 [0,1,0,0,0,0|2,0,0]=3 188 B11R0.150 N[C@@H](CC[C@@H](N)C(=O)O)C(=O)O MCULE-1836756247 [0,1,0,0,0,0|2,0,0]=3 189 B11R0.150 N[C@@H](CC[C@H](N)C(=O)O)C(=O)O MCULE-5252239426 [0,1,0,0,0,0|2,0,0]=3 190 B11R0.150 N[C@@H](CC[C@H](N)C(=O)O)C(=O)O MCULE-7091962514 [0,1,0,0,0,0|2,0,0]=3 191 B11R0.150 N[C@@H](CNC(=O)C(=O)O)C(=O)O MCULE-6891448368 [0,1,0,0,0,0|2,0,1]=4 192 B11R0.150 N[C@@H](CNC(=O)C(=O)O)C(=O)O MCULE-8386372368 [0,1,0,0,0,0|2,0,1]=4 193 B11R0.150 N[C@H](CC[C@@H](N)C(=O)O)C(=O)O MCULE-7748162622 [0,1,0,0,0,0|2,0,0]=3 194 B11R0.150 O=C(O)C(Br)CCC(Br)C(=O)O MCULE-1364640997 [0,1,0,0,0,0|3,0,0]=4 195 B11R0.150 O=C(O)C(O)SSC(O)C(=O)O MCULE-1628840134 [0,1,0,0,0,0|3,0,0]=4 196 B11R0.318 NC(CCCP(=O)(O)O)C(=O)O MCULE-8623591326 [0,1,0,0,0,0|3,0,0]=4 197 B11R0.318 NC(CCCP(=O)([O-])O)C(=O)O MCULE-7628102703 [0,1,0,0,0,0|3,0,0]=4 198 B11R0.318 N[C@@H](CCCP(=O)(O)O)C(=O)O MCULE-4298011103 [0,1,0,0,0,0|3,0,0]=4 199 B11R0.318 N[C@@H](CCCP(=O)([O-])O)C(=O)O MCULE-2274115416 [0,1,0,0,0,0|3,0,0]=4 200 B11R0.318 N[C@H](CCCP(=O)(O)O)C(=O)O MCULE-4903649245 [0,1,0,0,0,0|3,0,0]=4 201 B11R0.318 N[C@H](CCCP(=O)(O)O)C(=O)O MCULE-6840301080 [0,1,0,0,0,0|3,0,0]=4 202 B11R1.80 CC(=O)CC1CC(C(=O)O1)C MCULE-9835948088 [0,0,0,1,0,0|3,0,0]=4 203 B11R1.175 CC(C)C1NC(CS1)C(=O)O MCULE-7579342031 [0,0,0,1,0,0|2,0,1]=4 204 B11R1.175 CC(C)C1NC(CS1)C(=O)O MCULE-7799535472 [0,0,0,1,0,0|2,0,1]=4 205 B11R1.175 NC(=O)C1CCC(C1)C(=O)N MCULE-8767684892 [0,0,0,1,0,0|3,0,0]=4 206 B11R1.175 NC(=O)C1CCC(C1)C(=O)O MCULE-6317737981 [0,0,0,1,0,0|2,0,0]=3 207 B11R1.175 NC(=O)C1CCC(S1)C(=O)N MCULE-1885586090 [0,0,0,1,0,0|3,0,0]=4 208 B11R1.175 NC(=O)[C@@H]1CC[C@@H](O1)C(=O)O MCULE-9051441174 [0,0,0,1,0,0|2,0,0]=3 209 B11R1.175 NC(=O)[C@@H]1CC[C@@H](S1)C(=O)N MCULE-2420598596 [0,0,0,1,0,0|3,0,0]=4 210 B11R1.175 O=C(O)C1CCC(C1)C(=O)O MCULE-5582697343 [0,0,0,1,0,0|3,0,0]=4 211 B11R1.175 O=C(O)C1CCC(O1)C(=O)O MCULE-3136124682 [0,0,0,1,0,0|3,0,0]=4 212 B11R1.175 O=C(O)C1CNC(C1)C(=O)O MCULE-8937278367 [0,0,0,1,0,0|3,0,0]=4 213 B11R1.175 O=C(O)C1CSC(N1)C(=O)O MCULE-7618690294 [0,0,0,1,0,0|1,0,0]=2 214 B11R1.175 O=C(O)[C@@H]1CC[C@@H](N1)C(=O)O MCULE-3826760511 [0,0,0,1,0,0|2,0,0]=3 215 B11R1.175 O=C(O)[C@@H]1CC[C@@H](O1)C(=O)O MCULE-5651042358 [0,0,0,1,0,0|3,0,0]=4 216 B11R1.175 O=C(O)[C@@H]1CC[C@H](C1)C(=O)O MCULE-4158551450 [0,0,0,1,0,0|3,0,0]=4 217 B11R1.175 O=C(O)[C@@H]1CN[C@@H](C1)C(=O)O MCULE-1390451256 [0,0,0,1,0,0|3,0,0]=4 218 B11R1.175 O=C(O)[C@@H]1CN[C@@H](C1)C(=O)O MCULE-7979026465 [0,0,0,1,0,0|3,0,0]=4 219 B11R1.175 O=C(O)[C@@H]1CN[C@@H](C1)C(=O)O MCULE-9063795349 [0,0,0,1,0,0|3,0,0]=4 220 B11R1.175 O=C(O)[C@@H]1CN[C@H](C1)C(=O)O MCULE-5420917584 [0,0,0,1,0,0|3,0,0]=4 221 B11R1.175 O=C(O)[C@@H]1C[C@H](CN1)C(=O)O MCULE-2467535885 [0,0,0,1,0,0|3,0,0]=4 222 B11R1.175 O=C(O)[C@H]1CC[C@@H](C1)C(=O)O MCULE-1705160233 [0,0,0,1,0,0|3,0,0]=4 223 B11R1.175 O=C(O)[C@H]1CC[C@H](C1)C(=O)O MCULE-9410279128 [0,0,0,1,0,0|3,0,0]=4 224 B11R1.314 CC(C(=O)O)C1CCC(=O)N1 MCULE-4842292622 [0,0,0,1,0,0|2,0,0]=3 225 B11R1.333 N[C@@H](CSCC1CC1)C(=O)O MCULE-9207009799 [0,0,0,1,0,0|2,0,1]=4 226 B11R1.565 O=C1CCCC(CC1)C(=O)O MCULE-9475795957 [0,0,0,1,0,0|3,0,0]=4 227 B11R1.704 C1(CC1C(=O)O)C(N)C(=O)O MCULE-4575165023 [0,0,0,1,0,0|2,0,0]=3 228 B11R1.704 N[C@H](C(=O)O)[C@H]1C[C@H]1C(=O)O MCULE-2251690284 [0,0,0,1,0,0|2,0,0]=3 229 B11R1.704 [C@@H]1(C[C@@H]1C(=O)O)[C@H](N)C(=O)O MCULE-9452045165 [0,0,0,1,0,0|2,0,0]=3 230 B11R1.704 [C@H]1(C[C@@H]1C(=O)O)[C@H](N)C(=O)O MCULE-8026317060 [0,0,0,1,0,0|2,0,0]=3 231 B9R0.7 C(N)(CCC(=O)[O-])C(=O)O MCULE-5359010340 [0,0,0,0,1,0|1,0,0]=2 232 B9R0.7 C=C(CCC(=O)O)C(=O)O MCULE-3502029665 [0,0,0,0,1,0|2,0,1]=4 233 B9R0.7 CC(=CCC(N)C(=O)O)C MCULE-9020150203 [0,0,0,0,1,0|2,0,1]=4 234 B9R0.7 CC(=CC[C@@H](N)C(=O)O)C MCULE-7822845293 [0,0,0,0,1,0|2,0,1]=4 235 B9R0.7 CC(=CC[C@H](N)C(=O)O)C MCULE-6208618845 [0,0,0,0,1,0|2,0,1]=4 236 B9R0.7 CC(=O)C(C)CCC(=O)O MCULE-9124111940 [0,0,0,0,1,0|3,0,0]=4 237 B9R0.7 CC(=O)C(C)CCC(=O)[O-] MCULE-8051941482 [0,0,0,0,1,0|3,0,0]=4 238 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-4063734192 [0,0,0,0,1,0|1,1,0]=3 239 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-6252379108 [0,0,0,0,1,0|1,1,0]=3 240 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-6448707862 [0,0,0,0,1,0|1,1,0]=3 241 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-8255582994 [0,0,0,0,1,0|1,1,0]=3 242 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-2377153563 [0,0,0,0,1,0|1,1,0]=3 243 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-2469027462 [0,0,0,0,1,0|1,1,0]=3 244 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-4796013964 [0,0,0,0,1,0|1,1,0]=3 245 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-9408226443 [0,0,0,0,1,0|1,1,0]=3 246 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-1751945139 [0,0,0,0,1,0|1,1,0]=3 247 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-3822387628 [0,0,0,0,1,0|1,1,0]=3 248 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-6052634347 [0,0,0,0,1,0|1,1,0]=3 249 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-6909390355 [0,0,0,0,1,0|1,1,0]=3 250 B9R0.7 CC(=O)SCC(C)C(=O)N MCULE-5520753765 [0,0,0,0,1,0|3,0,0]=4 251 B9R0.7 CC(=O)SCC(C)C(=O)O MCULE-5116238206 [0,0,0,0,1,0|2,0,0]=3 252 B9R0.7 CC(=O)SCC(N)C(=O)O MCULE-2891442308 [0,0,0,0,1,0|1,0,0]=2 253 B9R0.7 CC(=O)SCC(N)C(=O)O MCULE-4623851451 [0,0,0,0,1,0|1,0,0]=2 254 B9R0.7 CC(=O)SC[C@@H](C)C(=O)O MCULE-8028939364 [0,0,0,0,1,0|2,0,0]=3 255 B9R0.7 CC(=O)SC[C@@H](C)C(=O)O MCULE-8973266419 [0,0,0,0,1,0|2,0,0]=3 256 B9R0.7 CC(=O)SC[C@H](N)C(=O)O MCULE-1698125004 [0,0,0,0,1,0|1,0,0]=2 257 B9R0.7 CC(=O)SC[C@H](N)C(=O)O MCULE-6046193594 [0,0,0,0,1,0|1,0,0]=2 258 B9R0.7 CC(C)CCC(N)C(=O)O MCULE-1719574078 [0,0,0,0,1,0|2,0,1]=4 259 B9R0.7 CC(C)CCC(N)C(=O)O MCULE-7494642848 [0,0,0,0,1,0|2,0,1]=4 260 B9R0.7 CC(C)CCC(N)C(=O)O MCULE-7934601656 [0,0,0,0,1,0|2,0,1]=4 261 B9R0.7 CC(C)CC[C@@H](N)C(=O)O MCULE-3738071496 [0,0,0,0,1,0|2,0,1]=4 262 B9R0.7 CC(C)CC[C@@H](N)C(=O)O MCULE-6646418122 [0,0,0,0,1,0|2,0,1]=4 263 B9R0.7 CC(C)CC[C@H](N)C(=O)O MCULE-1152840736 [0,0,0,0,1,0|2,0,1]=4 264 B9R0.7 CC(C)CC[C@H](N)C(=O)O MCULE-2931632246 [0,0,0,0,1,0|2,0,1]=4 265 B9R0.7 CC(C)CC[C@H](N)C(=O)O MCULE-6463365282 [0,0,0,0,1,0|2,0,1]=4 266 B9R0.7 CC(C)CC[C@H](N)C(=O)O MCULE-7649870164 [0,0,0,0,1,0|2,0,1]=4 267 B9R0.7 CC(C)SCC(N)C(=O)O MCULE-2486867814 [0,0,0,0,1,0|2,0,1]=4 268 B9R0.7 CC(CCC(=O)O)C(=O)O MCULE-1523371907 [0,0,0,0,1,0|2,0,0]=3 269 B9R0.7 CC(CCC(=O)O)C(=O)O MCULE-1939523418 [0,0,0,0,1,0|2,0,0]=3 270 B9R0.7 CC(CNC(=O)N)C(=O)O MCULE-6367938073 [0,0,0,0,1,0|2,0,0]=3 271 B9R0.7 CC(NCC(=O)O)C(=O)O MCULE-1111290878 [0,0,0,0,1,0|3,0,0]=4 272 B9R0.7 CC(NCC(=O)O)C(=O)O MCULE-6569987660 [0,0,0,0,1,0|3,0,0]=4 273 B9R0.7 CC(SCC(=O)O)C(=O)O MCULE-8523268796 [0,0,0,0,1,0|2,0,0]=3 274 B9R0.7 CN(C)CCC(N)C(=O)O MCULE-8874115334 [0,0,0,0,1,0|3,0,0]=4 275 B9R0.7 CN(C)CC[C@H](N)C(=O)O MCULE-7859718042 [0,0,0,0,1,0|3,0,0]=4 276 B9R0.7 CN(C)CC[C@H](N)C(=O)O MCULE-7883746105 [0,0,0,0,1,0|3,0,0]=4 277 B9R0.7 CS(=O)CCC(N)C(=O)O MCULE-2810141962 [0,0,0,0,1,0|2,0,0]=3 278 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-3901672243 [0,0,0,0,1,0|2,0,0]=3 279 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-3967415982 [0,0,0,0,1,0|2,0,0]=3 280 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-6481206030 [0,0,0,0,1,0|2,0,0]=3 281 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-6787807393 [0,0,0,0,1,0|2,0,0]=3 282 B9R0.7 CS(=O)CC[C@H](N)C(=O)O MCULE-1832499155 [0,0,0,0,1,0|2,0,0]=3 283 B9R0.7 C[C@@H](CCC(=O)O)C(=O)O MCULE-7515023265 [0,0,0,0,1,0|2,0,0]=3 284 B9R0.7 C[C@H](CCC(=O)O)C(=O)O MCULE-8441860655 [0,0,0,0,1,0|2,0,0]=3 285 B9R0.7 C[C@H](CCC(=O)O)C(=O)O MCULE-9071150671 [0,0,0,0,1,0|2,0,0]=3 286 B9R0.7 C[C@H](CC[N+](=O)[O-])C(=O)O MCULE-1884928652 [0,0,0,0,1,0|3,0,0]=4 287 B9R0.7 C[C@H](NCC(=O)O)C(=O)O MCULE-1511229567 [0,0,0,0,1,0|3,0,0]=4 288 B9R0.7 C[C@H](NCC(=O)O)C(=O)O MCULE-4530562082 [0,0,0,0,1,0|3,0,0]=4 289 B9R0.7 C[S+](C)CCC(N)C(=O)O MCULE-1226059178 [0,0,0,0,1,0|3,0,0]=4 290 B9R0.7 C[S+](C)CCC(N)C(=O)O MCULE-2190014040 [0,0,0,0,1,0|3,0,0]=4 291 B9R0.7 C[S+](C)CCC(N)C(=O)O MCULE-5712047901 [0,0,0,0,1,0|3,0,0]=4 292 B9R0.7 C[S+](C)CCC(N)C(=O)O MCULE-6819299220 [0,0,0,0,1,0|3,0,0]=4 293 B9R0.7 C[S+](C)CCC(N)C(=O)O MCULE-9030836699 [0,0,0,0,1,0|3,0,0]=4 294 B9R0.7 C[S+](C)CC[C@@H](N)C(=O)O MCULE-4590755313 [0,0,0,0,1,0|3,0,0]=4 295 B9R0.7 C[S+](C)CC[C@@H](N)C(=O)O MCULE-5450461647 [0,0,0,0,1,0|3,0,0]=4 296 B9R0.7 C[S+](C)CC[C@@H](N)C(=O)O MCULE-6366850762 [0,0,0,0,1,0|3,0,0]=4 297 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O MCULE-1022001641 [0,0,0,0,1,0|3,0,0]=4 298 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O MCULE-2164538601 [0,0,0,0,1,0|3,0,0]=4 299 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O MCULE-4494909498 [0,0,0,0,1,0|3,0,0]=4 300 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O MCULE-6858051266 [0,0,0,0,1,0|3,0,0]=4 301 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O MCULE-7758450855 [0,0,0,0,1,0|3,0,0]=4 302 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O MCULE-8877605547 [0,0,0,0,1,0|3,0,0]=4 303 B9R0.7 N=C(N)NCC(N)C(=O)O MCULE-1177262947 [0,0,0,0,1,0|2,0,0]=3 304 B9R0.7 N=C(N)NCC(N)C(=O)O MCULE-2474644851 [0,0,0,0,1,0|2,0,0]=3 305 B9R0.7 N=C(N)NCC(N)C(=O)O MCULE-5671557476 [0,0,0,0,1,0|2,0,0]=3 306 B9R0.7 N=C(N)NC[C@H](N)C(=O)O MCULE-3050097417 [0,0,0,0,1,0|2,0,0]=3 307 B9R0.7 N=C(N)NC[C@H](N)C(=O)O MCULE-3499032906 [0,0,0,0,1,0|2,0,0]=3 308 B9R0.7 N=C(N)NC[C@H](N)C(=O)O MCULE-4835798272 [0,0,0,0,1,0|2,0,0]=3 309 B9R0.7 N=C(N)NC[C@H](N)C(=O)O MCULE-8355456866 [0,0,0,0,1,0|2,0,0]=3 310 B9R0.7 N=C(N)NC[C@H](N)C(=O)O MCULE-8635327390 [0,0,0,0,1,0|2,0,0]=3 311 B9R0.7 NC(=O)C(N)CCC(=O)O MCULE-7109792615 [0,0,0,0,1,0|2,0,0]=3 312 B9R0.7 NC(=O)C(N)CCC(=O)O MCULE-8741984156 [0,0,0,0,1,0|2,0,0]=3 313 B9R0.7 NC(=O)CCC(N)C(=O)O MCULE-1418655814 [0,0,0,0,1,0|0,0,0]=1 314 B9R0.7 NC(=O)CC[C@@H](N)C(=O)N MCULE-3069717045 [0,0,0,0,1,0|1,0,0]=2 315 B9R0.7 NC(=O)CC[C@@H](N)C(=O)N MCULE-3964283106 [0,0,0,0,1,0|1,0,0]=2 316 B9R0.7 NC(=O)CC[C@@H](N)C(=O)N MCULE-8749190773 [0,0,0,0,1,0|1,0,0]=2 317 B9R0.7 NC(=O)CC[C@@H](N)C(=O)N MCULE-8900435477 [0,0,0,0,1,0|1,0,0]=2 318 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O MCULE-7870225738 [0,0,0,0,1,0|0,0,0]=1 319 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O MCULE-9711806580 [0,0,0,0,1,0|0,0,0]=1 320 B9R0.7 NC(=O)CC[C@H](N)C(=O)N MCULE-2293558876 [0,0,0,0,1,0|1,0,0]=2 321 B9R0.7 NC(=O)CC[C@H](N)C(=O)N MCULE-5457304555 [0,0,0,0,1,0|1,0,0]=2 322 B9R0.7 NC(=O)CC[C@H](N)C(=O)N MCULE-7482897734 [0,0,0,0,1,0|1,0,0]=2 323 B9R0.7 NC(=O)CC[C@H](N)C(=O)N MCULE-9074108708 [0,0,0,0,1,0|1,0,0]=2 324 B9R0.7 NC(=O)CC[C@H](N)C(=O)O MCULE-7234937947 [0,0,0,0,1,0|0,0,0]=1 325 B9R0.7 NC(=O)CC[C@H](N)C(=O)O MCULE-8718820108 [0,0,0,0,1,0|0,0,0]=1 326 B9R0.7 NC(=O)NCC(N)C(=O)O MCULE-4609961006 [0,0,0,0,1,0|1,0,0]=2 327 B9R0.7 NC(=O)NC[C@@H](N)C(=O)O MCULE-7506737023 [0,0,0,0,1,0|1,0,0]=2 328 B9R0.7 NC(=O)NC[C@H](N)C(=O)O MCULE-3123973606 [0,0,0,0,1,0|1,0,0]=2 329 B9R0.7 NC(=O)NC[C@H]([NH3+])C(=O)[O-] MCULE-2674726108 [0,0,0,0,1,0|1,0,2]=4 330 B9R0.7 NC(=O)SCC(N)C(=O)O MCULE-7865241343 [0,0,0,0,1,0|0,0,0]=1 331 B9R0.7 NC(=O)SC[C@H](N)C(=O)O MCULE-6647567669 [0,0,0,0,1,0|0,0,0]=1 332 B9R0.7 NC(=O)SC[C@H](N)C(=O)O MCULE-7995535877 [0,0,0,0,1,0|0,0,0]=1 333 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O MCULE-7404893649 [0,0,0,0,1,0|2,0,0]=3 334 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O MCULE-7580681383 [0,0,0,0,1,0|2,0,0]=3 335 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-3142698040 [0,0,0,0,1,0|2,0,0]=3 336 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-3865619229 [0,0,0,0,1,0|2,0,0]=3 337 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-8184010011 [0,0,0,0,1,0|2,0,0]=3 338 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-8981731652 [0,0,0,0,1,0|2,0,0]=3 339 B9R0.7 NC(CCC(=O)O)C(=O)O MCULE-4203507491 [0,0,0,0,1,0|1,0,0]=2 340 B9R0.7 NC(CCC(=O)O)C(=O)O MCULE-4600207704 [0,0,0,0,1,0|1,0,0]=2 341 B9R0.7 NC(CCC(=O)O)C(=O)O MCULE-8107432729 [0,0,0,0,1,0|1,0,0]=2 342 B9R0.7 NC(CCC(=O)[O-])C(=O)O MCULE-5012956158 [0,0,0,0,1,0|1,0,0]=2 343 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-6077524166 [0,0,0,0,1,0|1,0,0]=2 344 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-7201150413 [0,0,0,0,1,0|1,0,0]=2 345 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-7328895736 [0,0,0,0,1,0|1,0,0]=2 346 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-7782530856 [0,0,0,0,1,0|1,0,0]=2 347 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-9447720868 [0,0,0,0,1,0|1,0,0]=2 348 B9R0.7 N[C@@H](CCC(=O)O)C(=O)[O-] MCULE-3042990215 [0,0,0,0,1,0|1,0,1]=3 349 B9R0.7 N[C@@H](CCC(=O)O)C(O)O MCULE-4882070910 [0,0,0,0,1,0|1,0,2]=4 350 B9R0.7 N[C@@H](CCC(=O)[O-])C(=O)O MCULE-2315425063 [0,0,0,0,1,0|1,0,0]=2 351 B9R0.7 N[C@@H](CCC(=O)[O-])C(=O)O MCULE-4367391999 [0,0,0,0,1,0|1,0,0]=2 352 B9R0.7 N[C@H](CCC(=O)O)C(=O)O MCULE-5884691541 [0,0,0,0,1,0|1,0,0]=2 353 B9R0.7 N[C@H](CCC(=O)O)C(=O)O MCULE-6647836957 [0,0,0,0,1,0|1,0,0]=2 354 B9R0.7 O=C(O)CCC(=O)C(=O)O MCULE-5148157449 [0,0,0,0,1,0|2,0,1]=4 355 B9R0.7 O=C(O)CCC(Cl)C(=O)O MCULE-8696439839 [0,0,0,0,1,0|2,0,0]=3 356 B9R0.7 O=C(O)CCC(O)C(=O)O MCULE-5732806069 [0,0,0,0,1,0|2,0,0]=3 357 B9R0.7 O=C(O)CC[C@@H](O)C(=O)O MCULE-2990674754 [0,0,0,0,1,0|2,0,0]=3 358 B9R0.7 O=C(O)CC[C@@H](O)C(=O)O MCULE-9463608806 [0,0,0,0,1,0|2,0,0]=3 359 B9R0.7 O=C(O)CC[C@H](Br)C(=O)O MCULE-3541564241 [0,0,0,0,1,0|2,0,0]=3 360 B9R0.7 O=C(O)CC[C@H](Br)C(=O)O MCULE-5484001209 [0,0,0,0,1,0|2,0,0]=3 361 B9R0.7 O=C(O)CC[C@H](Cl)C(=O)O MCULE-4338578978 [0,0,0,0,1,0|2,0,0]=3 362 B9R0.7 O=C(O)CC[C@H](O)C(=O)O MCULE-4494756126 [0,0,0,0,1,0|2,0,0]=3 363 B9R0.7 O=C([O-])CCC(=O)C(=O)O MCULE-3931336643 [0,0,0,0,1,0|2,0,1]=4 364 B9R0.7 O=C([O-])CCC(O)C(=O)[O-] MCULE-1880842258 [0,0,0,0,1,0|2,0,1]=4 365 B9R0.7 O=C([O-])CCC(O)C(=O)[O-] MCULE-4254561979 [0,0,0,0,1,0|2,0,1]=4 366 B9R0.7 O=C([O-])CCC(O)C(=O)[O-] MCULE-4348197971 [0,0,0,0,1,0|2,0,1]=4 367 B9R0.7 O=C([O-])CC[C@@H](O)C(=O)[O-] MCULE-2376048296 [0,0,0,0,1,0|2,0,1]=4 368 B9R0.7 O=C([O-])CC[C@@H](O)C(=O)[O-] MCULE-3046517186 [0,0,0,0,1,0|2,0,1]=4 369 B9R0.7 O=C([O-])CC[C@H](O)C(=O)[O-] MCULE-2350068178 [0,0,0,0,1,0|2,0,1]=4 370 B9R0.7 O=C([O-])CC[C@H](O)C(=O)[O-] MCULE-8971415546 [0,0,0,0,1,0|2,0,1]=4 371 B9R0.7 P(=O)(O)CC[C@H](N)C(=O)O MCULE-2875179933 [0,0,0,0,1,0|2,0,0]=3 372 B9R0.7 [C@H](N)(CCC(=O)O)C(=O)N MCULE-1881473683 [0,0,0,0,1,0|2,0,0]=3 373 B9R0.7 [C@H](N)(CCC(=O)O)C(=O)O MCULE-8526087521 [0,0,0,0,1,0|1,0,0]=2 374 B9R0.7 [C@H](N)(CCS(=O)C)C(=O)O MCULE-2995684872 [0,0,0,0,1,0|2,0,0]=3 375 B9R0.7 [C@H](O)(CCC(=O)O)C(=O)O MCULE-8564542509 [0,0,0,0,1,0|2,0,0]=3 376 B9R0.7 [NH3+][C@@H](CCC(=O)[O-])C(=O)[O-] MCULE-6350748495 [0,0,0,0,1,0|1,0,2]=4 377 B11R0.29 CC(=CCSC[C@H](N)C(=O)O)C MCULE-5799863579 [0,0,0,0,0,1|2,0,0]=3 378 B11R0.29 CC(=N)NCCC[C@H](N)C(=O)O MCULE-5358658112 [0,0,0,0,0,1|2,0,1]=4 379 B11R0.29 CC(=N)NCCC[C@H](N)C(=O)O MCULE-5606810596 [0,0,0,0,0,1|2,0,1]=4 380 B11R0.29 CC(=N)NCCC[C@H](N)C(=O)O MCULE-7980342928 [0,0,0,0,0,1|2,0,1]=4 381 B11R0.29 CC(=N)NCCC[C@H](N)C(=O)O MCULE-8195408633 [0,0,0,0,0,1|2,0,1]=4 382 B11R0.29 CC(=N)NCCC[C@H](N)C(=O)O MCULE-8216004356 [0,0,0,0,0,1|2,0,1]=4 383 B11R0.29 CC(=O)NCCCC(N)C(=O)O MCULE-5671867593 [0,0,0,0,0,1|2,0,0]=3 384 B11R0.29 CC(=O)NCCC[C@H](N)C(=O)O MCULE-1987849167 [0,0,0,0,0,1|2,0,0]=3 385 B11R0.29 CC(=O)NCCC[C@H](N)C(=O)O MCULE-5655137268 [0,0,0,0,0,1|2,0,0]=3 386 B11R0.29 CC(=O)NCSCC(N)C(=O)N MCULE-1098301355 [0,0,0,0,0,1|2,0,0]=3 387 B11R0.29 CC(=O)NCSCC(N)C(=O)N MCULE-3518739302 [0,0,0,0,0,1|2,0,0]=3 388 B11R0.29 CC(=O)NCSCC(N)C(=O)O MCULE-1709640374 [0,0,0,0,0,1|1,0,0]=2 389 B11R0.29 CC(=O)NCSCC(N)C(=O)O MCULE-3550759506 [0,0,0,0,0,1|1,0,0]=2 390 B11R0.29 CC(=O)NCSC[C@@H](N)C(=O)O MCULE-6373295824 [0,0,0,0,0,1|1,0,0]=2 391 B11R0.29 CC(=O)NCSC[C@@H](N)C(=O)O MCULE-7013130042 [0,0,0,0,0,1|1,0,0]=2 392 B11R0.29 CC(=O)NCSC[C@@H](N)C(=O)O MCULE-7188611038 [0,0,0,0,0,1|1,0,0]=2 393 B11R0.29 CC(=O)NCSC[C@@H](N)C(=O)O MCULE-8606728410 [0,0,0,0,0,1|1,0,0]=2 394 B11R0.29 CC(=O)NCSC[C@H](N)C(=O)N MCULE-1846985795 [0,0,0,0,0,1|2,0,0]=3 395 B11R0.29 CC(=O)NCSC[C@H](N)C(=O)N MCULE-2934599717 [0,0,0,0,0,1|2,0,0]=3 396 B11R0.29 CC(=O)NCSC[C@H](N)C(=O)N MCULE-3474712900 [0,0,0,0,0,1|2,0,0]=3 397 B11R0.29 CC(=O)NCSC[C@H](N)C(=O)N MCULE-7235564115 [0,0,0,0,0,1|2,0,0]=3 398 B11R0.29 CC(=O)NCSC[C@H](N)C(=O)O MCULE-2695923449 [0,0,0,0,0,1|1,0,0]=2 399 B11R0.29 CC(C)CCSC[C@@H](N)C(=O)O MCULE-5853886859 [0,0,0,0,0,1|2,0,1]=4 400 B11R0.29 CC(C)CCSC[C@H](N)C(=O)O MCULE-3979333384 [0,0,0,0,0,1|2,0,1]=4 401 B11R0.29 CC(C)CCSC[C@H](N)C(=O)O MCULE-8382723630 [0,0,0,0,0,1|2,0,1]=4 402 B11R0.29 N=C(N)NCCCC(N)C(=O)O MCULE-3125760737 [0,0,0,0,0,1|2,0,0]=3 403 B11R0.29 N=C(N)NCCCC(N)C(=O)O MCULE-5122302808 [0,0,0,0,0,1|2,0,0]=3 404 B11R0.29 N=C(N)NCCCC(N)C(=O)O MCULE-6153263942 [0,0,0,0,0,1|2,0,0]=3 405 B11R0.29 N=C(N)NCCCC(N)C(=O)O MCULE-9072241723 [0,0,0,0,0,1|2,0,0]=3 406 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)N MCULE-2053250402 [0,0,0,0,0,1|3,0,0]=4 407 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)N MCULE-4188771186 [0,0,0,0,0,1|3,0,0]=4 408 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)N MCULE-8070047581 [0,0,0,0,0,1|3,0,0]=4 409 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)N MCULE-8751936684 [0,0,0,0,0,1|3,0,0]=4 410 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)O MCULE-1262352579 [0,0,0,0,0,1|2,0,0]=3 411 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)O MCULE-3838347198 [0,0,0,0,0,1|2,0,0]=3 412 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)O MCULE-8676148534 [0,0,0,0,0,1|2,0,0]=3 413 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)O MCULE-9872369459 [0,0,0,0,0,1|2,0,0]=3 414 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)N MCULE-2060853069 [0,0,0,0,0,1|3,0,0]=4 415 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)N MCULE-3460042117 [0,0,0,0,0,1|3,0,0]=4 416 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)N MCULE-5810103294 [0,0,0,0,0,1|3,0,0]=4 417 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)N MCULE-7789670505 [0,0,0,0,0,1|3,0,0]=4 418 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O MCULE-1290049418 [0,0,0,0,0,1|2,0,0]=3 419 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O MCULE-4214642097 [0,0,0,0,0,1|2,0,0]=3 420 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O MCULE-5108123240 [0,0,0,0,0,1|2,0,0]=3 421 B11R0.29 N=C(N)NCCC[C@H](O)C(=O)O MCULE-5530430751 [0,0,0,0,0,1|3,0,0]=4 422 B11R0.29 N=C(N)NOCCC(N)C(=O)O MCULE-4434498846 [0,0,0,0,0,1|2,1,0]=4 423 B11R0.29 N=C(N)NOCCC(N)C(=O)O MCULE-8379182275 [0,0,0,0,0,1|2,1,0]=4 424 B11R0.29 N=C(N)NOCC[C@H](N)C(=O)O MCULE-4133667223 [0,0,0,0,0,1|2,1,0]=4 425 B11R0.29 N=C(N)NOCC[C@H](N)C(=O)O MCULE-5293692556 [0,0,0,0,0,1|2,1,0]=4 426 B11R0.29 N=C(N)NOCC[C@H](N)C(=O)O MCULE-5682580831 [0,0,0,0,0,1|2,1,0]=4 427 B11R0.29 N=C(N)NOCC[C@H](N)C(=O)O MCULE-8698650428 [0,0,0,0,0,1|2,1,0]=4 428 B11R0.29 N=C(N)SCCC[C@H](N)C(=O)O MCULE-4923497703 [0,0,0,0,0,1|2,0,0]=3 429 B11R0.29 N=C(N)SCCC[C@H](N)C(=O)O MCULE-6690848404 [0,0,0,0,0,1|2,0,0]=3 430 B11R0.29 N=C(N)SCCC[C@H](N)C(=O)O MCULE-8512874772 [0,0,0,0,0,1|2,0,0]=3 431 B11R0.29 NC(=NCCC[C@H](N)C(=O)O)N MCULE-6159466147 [0,0,0,0,0,1|2,0,0]=3 432 B11R0.29 NC(=O)C(N)CCCN=C(N)N MCULE-5320558657 [0,0,0,0,0,1|3,0,0]=4 433 B11R0.29 NC(=O)C(N)CCCN=C(N)N MCULE-9567284529 [0,0,0,0,0,1|3,0,0]=4 434 B11R0.29 NC(=O)NCCCC(N)C(=O)O MCULE-3107139098 [0,0,0,0,0,1|1,0,0]=2 435 B11R0.29 NC(=O)NCCCC(N)C(=O)O MCULE-9077514633 [0,0,0,0,0,1|1,0,0]=2 436 B11R0.29 NC(=O)NCCCC(N)C(=O)O MCULE-9892421890 [0,0,0,0,0,1|1,0,0]=2 437 B11R0.29 NC(=O)NCCCC(N)C(=O)S MCULE-6427757419 [0,0,0,0,0,1|1,1,0]=3 438 B11R0.29 NC(=O)NCCC[C@@H](N)C(=O)O MCULE-7003128917 [0,0,0,0,0,1|1,0,0]=2 439 B11R0.29 NC(=O)NCCC[C@@H](N)C(=O)O MCULE-9135693560 [0,0,0,0,0,1|1,0,0]=2 440 B11R0.29 NC(=O)NCCC[C@H](N)C(=O)O MCULE-2081339988 [0,0,0,0,0,1|1,0,0]=2 441 B11R0.29 NC(=O)NCCC[C@H](N)C(=O)O MCULE-5380647071 [0,0,0,0,0,1|1,0,0]=2 442 B11R0.29 NC(=O)NCCC[C@H](N)C(=O)O MCULE-5746772887 [0,0,0,0,0,1|1,0,0]=2 443 B11R0.29 NC(=S)NCCC[C@H](N)C(=O)O MCULE-9458174752 [0,0,0,0,0,1|1,1,0]=3 444 B11R0.29 NC(CCCCC(=O)O)C(=O)O MCULE-2486712857 [0,0,0,0,0,1|2,0,0]=3 445 B11R0.29 NC(CSCCB(O)O)C(=O)O MCULE-7425052021 [0,0,0,0,0,1|2,0,1]=4 446 B11R0.29 NC(CSCCB(O)O)C(=O)O MCULE-8991194580 [0,0,0,0,0,1|2,0,1]=4 447 B11R0.29 NC(CSCCC(=O)O)C(=O)O MCULE-1817232859 [0,0,0,0,0,1|1,0,0]=2 448 B11R0.29 N[C@@H](CCCCC(=O)O)C(=O)O MCULE-3457014875 [0,0,0,0,0,1|2,0,0]=3 449 B11R0.29 N[C@@H](CCCCC(=O)O)C(=O)O MCULE-4557682979 [0,0,0,0,0,1|2,0,0]=3 450 B11R0.29 N[C@@H](CSCCB(O)O)C(=O)O MCULE-1378566517 [0,0,0,0,0,1|2,0,1]=4 451 B11R0.29 N[C@@H](CSCCB(O)O)C(=O)O MCULE-2158139364 [0,0,0,0,0,1|2,0,1]=4 452 B11R0.29 N[C@@H](CSCCB(O)O)C(=O)O MCULE-8839722581 [0,0,0,0,0,1|2,0,1]=4 453 B11R0.29 N[C@@H](CSCCB(O)O)C(=O)O MCULE-8903543883 [0,0,0,0,0,1|2,0,1]=4 454 B11R0.29 N[C@@H](CSCCC(=O)O)C(=O)O MCULE-2469874774 [0,0,0,0,0,1|1,0,0]=2 455 B11R0.29 N[C@@H](CSCCC(=O)O)C(=O)O MCULE-8976065741 [0,0,0,0,0,1|1,0,0]=2 456 B11R0.29 N[C@H](CCCCC(=O)O)C(=O)O MCULE-7148013181 [0,0,0,0,0,1|2,0,0]=3 457 B11R0.29 N[C@H](CCCCC(=O)O)C(=O)O MCULE-8965199592 [0,0,0,0,0,1|2,0,0]=3 458 B11R0.29 N[C@H](CSCCC(=O)O)C(=O)O MCULE-5217293992 [0,0,0,0,0,1|1,0,0]=2 459 B11R0.29 [C@H](N)(CCCNC(=N)N)C(=O)O MCULE-3794564775 [0,0,0,0,0,1|2,0,0]=3 460 B11R0.29 [C@H](N)(CSCNC(=O)C)C(=O)O MCULE-5543687296 [0,0,0,0,0,1|1,0,0]=2 461 B11R0.29 [C@H](N)(CSCNC(=O)C)C(=O)O MCULE-9668621656 [0,0,0,0,0,1|1,0,0]=2 462 B11R0.29 [C@H]([NH3+])(CSCNC(=O)C)C(=O)O MCULE-9323832704 [0,0,0,0,0,1|1,0,1]=3 463 B8R0.7 C=CCCCCC(=O)O MCULE-1991116122 [2,0,0,0,0,0|2,0,0]=4 464 B8R0.7 C=CCOCCC(=O)O MCULE-6102747899 [2,0,0,0,0,0|1,1,0]=4 465 B8R0.7 CCCSCCC(=O)O MCULE-6454518290 [2,0,0,0,0,0|1,0,1]=4 466 B8R0.7 NC(=O)CCCCCO MCULE-2654184294 [2,0,0,0,0,0|1,0,1]=4 467 B8R0.7 NCCCCCC(=O)O MCULE-3640363033 [2,0,0,0,0,0|1,0,1]=4 468 B8R0.7 NCCCCCC(=O)O MCULE-6389520144 [2,0,0,0,0,0|1,0,1]=4 469 B8R0.7 NCCNCCC(=O)O MCULE-6596967912 [2,0,0,0,0,0|1,0,1]=4 470 B8R0.7 NCCOCCC(=O)O MCULE-8535110656 [2,0,0,0,0,0|0,1,1]=4 471 B8R0.7 NCCOCCC(=O)O MCULE-9124828795 [2,0,0,0,0,0|0,1,1]=4 472 B8R0.7 NCCSCCC(=O)O MCULE-5309234181 [2,0,0,0,0,0|0,0,1]=3 473 B8R0.7 NOCCCCC(=O)O MCULE-2022616022 [2,0,0,0,0,0|2,0,0]=4 474 B8R0.7 NOCCCCC(=O)O MCULE-9375312454 [2,0,0,0,0,0|2,0,0]=4 475 B8R0.7 O=C(O)CCSCCO MCULE-4689447674 [2,0,0,0,0,0|0,0,2]=4 476 B8R0.7 O=CCCCCC(=O)O MCULE-8762346998 [2,0,0,0,0,0|1,0,0]=3 477 B8R0.7 O=CNCCCC(=O)O MCULE-9120755173 [2,0,0,0,0,0|2,0,0]=4 478 B8R0.28 NC(=O)CCCC(=O)N MCULE-8380308624 [2,0,0,0,0,0|1,0,1]=4 479 B8R0.28 NC(=O)CNCC(=O)N MCULE-7451569201 [2,0,0,0,0,0|1,0,1]=4 480 B8R0.28 NC(=O)CSCC(=O)N MCULE-1673116541 [2,0,0,0,0,0|0,0,1]=3 481 B8R0.28 NC(=O)CSCC(=O)O MCULE-1419621262 [2,0,0,0,0,0|1,0,1]=4 482 B8R0.28 [NH2+](CC(=O)N)CC(=O)N MCULE-7548046822 [2,0,0,0,0,0|1,0,1]=4 483 B8R0.8 C#CCCC(N)C(=O)O MCULE-2306841483 [2,0,0,0,0,0|1,0,1]=4 484 B8R0.8 C#CCC[C@@H](N)C(=O)O MCULE-3328230047 [2,0,0,0,0,0|1,0,1]=4 485 B8R0.8 C#CCC[C@@H](N)C(=O)O MCULE-8588363102 [2,0,0,0,0,0|1,0,1]=4 486 B8R0.8 C#CCC[C@H](N)C(=O)O MCULE-3269292516 [2,0,0,0,0,0|1,0,1]=4 487 B8R0.8 C#CCC[C@H](N)C(=O)O MCULE-6769399323 [2,0,0,0,0,0|1,0,1]=4 488 B8R0.8 C#CCC[C@H](N)C(=O)O MCULE-6930343823 [2,0,0,0,0,0|1,0,1]=4 489 B8R0.8 C#CCC[C@H](N)C(=O)O MCULE-9522590396 [2,0,0,0,0,0|1,0,1]=4 490 B8R0.8 C=CCCC(C)C(=O)O MCULE-3089071984 [2,0,0,0,0,0|2,0,0]=4 491 B8R0.8 C=CCCC(N)C(=O)N MCULE-3025865201 [2,0,0,0,0,0|2,0,0]=4 492 B8R0.8 C=CCCC(N)C(=O)N MCULE-6477490851 [2,0,0,0,0,0|2,0,0]=4 493 B8R0.8 C=CCCC(N)C(=O)O MCULE-1524160350 [2,0,0,0,0,0|1,0,0]=3 494 B8R0.8 C=CCCC(N)C(=O)O MCULE-5522822192 [2,0,0,0,0,0|1,0,0]=3 495 B8R0.8 C=CCCC(N)C(=O)O MCULE-7998584890 [2,0,0,0,0,0|1,0,0]=3 496 B8R0.8 C=CCC[C@@H](N)C(=O)O MCULE-4571532321 [2,0,0,0,0,0|1,0,0]=3 497 B8R0.8 C=CCC[C@H](N)C(=O)O MCULE-2235047291 [2,0,0,0,0,0|1,0,0]=3 498 B8R0.8 C=CCC[C@H](N)C(=O)O MCULE-4644458098 [2,0,0,0,0,0|1,0,0]=3 499 B8R0.8 C=CCC[C@H](N)C(=O)O MCULE-7821274952 [2,0,0,0,0,0|1,0,0]=3 500 B8R0.8 C=CCC[C@H](N)C(=O)O MCULE-9807212949 [2,0,0,0,0,0|1,0,0]=3 501 B8R0.8 C=CCSC(C)C(=O)O MCULE-4683246165 [2,0,0,0,0,0|2,0,0]=4 502 B8R0.8 CCCCC(N)C(=O)O MCULE-4930484202 [2,0,0,0,0,0|1,0,1]=4 503 B8R0.8 CCCC[C@@H](N)C(=O)O MCULE-3687527484 [2,0,0,0,0,0|1,0,1]=4 504 B8R0.8 CCCC[C@@H](N)C(=O)O MCULE-9410581572 [2,0,0,0,0,0|1,0,1]=4 505 B8R0.8 CCCC[C@H](N)C(=O)O MCULE-3656145338 [2,0,0,0,0,0|1,0,1]=4 506 B8R0.8 CCCC[C@H](N)C(=O)O MCULE-7427914532 [2,0,0,0,0,0|1,0,1]=4 507 B8R0.8 CCOC[C@@H](N)C(=O)O MCULE-9199053225 [2,0,0,0,0,0|0,1,1]=4 508 B8R0.8 CCOC[C@@H](N)C(=O)O MCULE-9684903914 [2,0,0,0,0,0|0,1,1]=4 509 B8R0.8 CCOC[C@H](N)C(=O)O MCULE-6351196285 [2,0,0,0,0,0|0,1,1]=4 510 B8R0.8 CCOC[C@H](N)C(=O)O MCULE-7653589662 [2,0,0,0,0,0|0,1,1]=4 511 B8R0.8 CCSCC(N)C(=O)O MCULE-9449250733 [2,0,0,0,0,0|0,0,1]=3 512 B8R0.8 COCCC(N)C(=O)O MCULE-3018605108 [2,0,0,0,0,0|2,0,0]=4 513 B8R0.8 COCC[C@H](N)C(=O)O MCULE-6748608543 [2,0,0,0,0,0|2,0,0]=4 514 B8R0.8 COCC[C@H](N)C(=O)O MCULE-8586358852 [2,0,0,0,0,0|2,0,0]=4 515 B8R0.8 CSCCC(N)C(=O)O MCULE-5626142345 [2,0,0,0,0,0|2,0,0]=4 516 B8R0.8 CSCC[C@@H](N)C(=O)O MCULE-2209985195 [2,0,0,0,0,0|2,0,0]=4 517 B8R0.8 CSCC[C@@H](N)C(=O)O MCULE-9944164883 [2,0,0,0,0,0|2,0,0]=4 518 B8R0.8 CSCC[C@H](N)C(=O)O MCULE-3383932641 [2,0,0,0,0,0|2,0,0]=4 519 B8R0.8 CSCC[C@H](N)C(=O)O MCULE-4603455639 [2,0,0,0,0,0|2,0,0]=4 520 B8R0.8 CSCC[C@H](N)C(=O)O MCULE-7228063662 [2,0,0,0,0,0|2,0,0]=4 521 B8R0.8 C[Se]CCC(N)C(=O)O MCULE-9212969564 [2,0,0,0,0,0|2,0,0]=4 522 B8R0.8 C[Se]CC[C@H](N)C(=O)O MCULE-5333020269 [2,0,0,0,0,0|2,0,0]=4 523 B8R0.8 C[Se]CC[C@H](N)C(=O)O MCULE-5980340572 [2,0,0,0,0,0|2,0,0]=4 524 B8R0.8 NC(CCCO)C(=O)O MCULE-5421732564 [2,0,0,0,0,0|0,0,2]=4 525 B8R0.8 NCCCC(N)C(=O)O MCULE-1970642620 [2,0,0,0,0,0|0,0,1]=3 526 B8R0.8 NCCCC(N)C(=O)O MCULE-4486209373 [2,0,0,0,0,0|0,0,1]=3 527 B8R0.8 NCCCC(N)C(=O)O MCULE-8193724048 [2,0,0,0,0,0|0,0,1]=3 528 B8R0.8 NCCCC(N)C(=O)O MCULE-9223414094 [2,0,0,0,0,0|0,0,1]=3 529 B8R0.8 NCCC[C@@H](N)C(=O)O MCULE-1634156072 [2,0,0,0,0,0|0,0,1]=3 530 B8R0.8 NCCC[C@@H](N)C(=O)O MCULE-2602820298 [2,0,0,0,0,0|0,0,1]=3 531 B8R0.8 NCCC[C@@H](N)C(=O)O MCULE-2719848774 [2,0,0,0,0,0|0,0,1]=3 532 B8R0.8 NCCC[C@@H](N)C(=O)O MCULE-8413545449 [2,0,0,0,0,0|0,0,1]=3 533 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-2588005079 [2,0,0,0,0,0|0,0,1]=3 534 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-2852667696 [2,0,0,0,0,0|0,0,1]=3 535 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-3029872280 [2,0,0,0,0,0|0,0,1]=3 536 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-4242810787 [2,0,0,0,0,0|0,0,1]=3 537 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-6924538097 [2,0,0,0,0,0|0,0,1]=3 538 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-8642266626 [2,0,0,0,0,0|0,0,1]=3 539 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-9352931710 [2,0,0,0,0,0|0,0,1]=3 540 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-9532999202 [2,0,0,0,0,0|0,0,1]=3 541 B8R0.8 NOCCC(N)C(=O)O MCULE-1540658941 [2,0,0,0,0,0|1,0,0]=3 542 B8R0.8 NOCCC(N)C(=O)O MCULE-3729513992 [2,0,0,0,0,0|1,0,0]=3 543 B8R0.8 NOCC[C@@H](N)C(=O)O MCULE-3273727827 [2,0,0,0,0,0|1,0,0]=3 544 B8R0.8 NOCC[C@H](N)C(=O)O MCULE-2315172974 [2,0,0,0,0,0|1,0,0]=3 545 B8R0.8 N[C@@H](CCCO)C(=O)O MCULE-3220645027 [2,0,0,0,0,0|0,0,2]=4 546 B8R0.8 N[C@@H](CCCO)C(=O)O MCULE-4608316868 [2,0,0,0,0,0|0,0,2]=4 547 B8R0.8 [C@@H](N)(CCC=C)C(=O)O MCULE-9648209291 [2,0,0,0,0,0|1,0,0]=3 548 B8R0.8 [C@H](N)(CCON)C(=O)O MCULE-1309966773 [2,0,0,0,0,0|1,0,0]=3 549 B10R0.26 C=CCS(=O)CC(N)C(=O)O MCULE-1644221115 [1,1,0,0,0,0|1,0,1]=4 550 B10R0.26 C=CCS(=O)C[C@H](N)C(=O)O MCULE-5403139844 [1,1,0,0,0,0|1,0,1]=4 551 B10R0.26 C=CCS(=O)C[C@H](N)C(=O)O MCULE-6091538783 [1,1,0,0,0,0|1,0,1]=4 552 B10R0.26 C=CC[S@](=O)C[C@H](N)C(=O)O MCULE-2127698614 [1,1,0,0,0,0|1,0,1]=4 553 B10R0.26 C=CC[S@](=O)C[C@H](N)C(=O)O MCULE-6116290976 [1,1,0,0,0,0|1,0,1]=4 554 B10R0.42 C=CCCC[C@@](C)(N)C(=O)O MCULE-2310142201 [1,1,0,0,0,0|2,0,0]=4 555 B10R0.42 C=CCCC[C@](C)(N)C(=O)O MCULE-5334270405 [1,1,0,0,0,0|2,0,0]=4 556 B10R0.42 C[C@@](N)(CCCCN)C(=O)O MCULE-5286287442 [1,1,0,0,0,0|1,0,1]=4 557 B10R0.75 C=CCCCCC(N)C(=O)O MCULE-9003674294 [1,1,0,0,0,0|2,0,0]=4 558 B10R0.75 C=CCCCC[C@@H](N)C(=O)O MCULE-5424595854 [1,1,0,0,0,0|2,0,0]=4 559 B10R0.75 C=CCCCC[C@@H](N)C(=O)O MCULE-7894205841 [1,1,0,0,0,0|2,0,0]=4 560 B10R0.75 C=CCCCC[C@H](N)C(=O)O MCULE-6386840550 [1,1,0,0,0,0|2,0,0]=4 561 B10R0.75 C=CCCCC[C@H](N)C(=O)O MCULE-8206632491 [1,1,0,0,0,0|2,0,0]=4 562 B10R0.75 C=CCSSC[C@H](N)C(=O)O MCULE-8012244687 [1,1,0,0,0,0|1,0,0]=3 563 B10R0.75 CCCCSC[C@@H](N)C(=O)O MCULE-8737283640 [1,1,0,0,0,0|1,0,1]=4 564 B10R0.75 CCCCSC[C@H](N)C(=O)O MCULE-5383064231 [1,1,0,0,0,0|1,0,1]=4 565 B10R0.75 CNCCCCC(N)C(=O)O MCULE-5703952072 [1,1,0,0,0,0|1,0,1]=4 566 B10R0.75 CNCCCCC(N)C(=O)O MCULE-8267439974 [1,1,0,0,0,0|1,0,1]=4 567 B10R0.75 CNCCCC[C@H](N)C(=O)O MCULE-4130643324 [1,1,0,0,0,0|1,0,1]=4 568 B10R0.75 CNCCCC[C@H](N)C(=O)O MCULE-5394599260 [1,1,0,0,0,0|1,0,1]=4 569 B10R0.75 CNCCCC[C@H](N)C(=O)O MCULE-6328038825 [1,1,0,0,0,0|1,0,1]=4 570 B10R0.75 CNCCCC[C@H](N)C(=O)O MCULE-6736060504 [1,1,0,0,0,0|1,0,1]=4 571 B10R0.75 COCCSCC(N)C(=O)O MCULE-1808987613 [1,1,0,0,0,0|0,0,2]=4 572 B10R0.75 N#CCCSCC(N)C(=O)O MCULE-3478080944 [1,1,0,0,0,0|0,0,2]=4 573 B10R0.75 NC(CCNCC=O)C(=O)O MCULE-6659524915 [1,1,0,0,0,0|1,0,0]=3 574 B10R0.75 NC(CSCCCO)C(=O)O MCULE-6250464318 [1,1,0,0,0,0|0,0,2]=4 575 B10R0.75 NCCCCC[C@@H](N)C(=O)O MCULE-7846811170 [1,1,0,0,0,0|1,0,1]=4 576 B10R0.75 NCCCCC[C@@H](N)C(=O)O MCULE-8562914837 [1,1,0,0,0,0|1,0,1]=4 577 B10R0.75 NCCCCC[C@H](N)C(=O)O MCULE-4522889843 [1,1,0,0,0,0|1,0,1]=4 578 B10R0.75 NCCCCC[C@H](N)C(=O)O MCULE-9026496023 [1,1,0,0,0,0|1,0,1]=4 579 B10R0.75 NCCCSC[C@H](N)C(=O)O MCULE-9670718396 [1,1,0,0,0,0|0,0,1]=3 580 B10R0.75 NCCC[Se]C[C@H](N)C(=O)O MCULE-4318104451 [1,1,0,0,0,0|0,1,1]=4 581 B10R0.75 N[C@@H](CCSCCO)C(=O)O MCULE-2974080305 [1,1,0,0,0,0|0,0,2]=4 582 B10R0.75 N[C@@H](CSCCCO)C(=O)O MCULE-1323141415 [1,1,0,0,0,0|0,0,2]=4 583 B10R0.75 N[C@@H](CSCCCO)C(=O)O MCULE-8256841743 [1,1,0,0,0,0|0,0,2]=4 584 B10R0.75 N[C@@H](CSSCCO)C(=O)O MCULE-7717227685 [1,1,0,0,0,0|0,0,2]=4 585 B10R0.81 C=CCOC(C)C(N)C(=O)O MCULE-3631812514 [1,1,0,0,0,0|1,1,0]=4 586 B10R0.81 C=CCOC(C)C(N)C(=O)O MCULE-3885008525 [1,1,0,0,0,0|1,1,0]=4 587 B10R0.81 C=CCO[C@H](C)[C@H](N)C(=O)O MCULE-2462180654 [1,1,0,0,0,0|1,1,0]=4 588 B10R0.81 C=CCO[C@H](C)[C@H](N)C(=O)O MCULE-5064570394 [1,1,0,0,0,0|1,1,0]=4 589 B10R0.81 C=CCO[C@H](C)[C@H](N)C(=O)O MCULE-6538716292 [1,1,0,0,0,0|1,1,0]=4 590 B10R0.81 C=CCO[C@H](C)[C@H](N)C(=O)O MCULE-9236706170 [1,1,0,0,0,0|1,1,0]=4 591 B10R0.83 C=CCCCC(N)C(=O)OC MCULE-1972402066 [1,1,0,0,0,0|2,0,0]=4 592 B10R0.83 COC(=O)C(N)CCCCN MCULE-4653959448 [1,1,0,0,0,0|1,0,1]=4 593 B10R0.83 COC(=O)C(N)CCCCN MCULE-5717864681 [1,1,0,0,0,0|1,0,1]=4 594 B10R0.83 COC(=O)C(N)CCCCN MCULE-8914801986 [1,1,0,0,0,0|1,0,1]=4 595 B10R0.83 COC(=O)[C@@H](N)CCCCN MCULE-1350520573 [1,1,0,0,0,0|1,0,1]=4 596 B10R0.83 COC(=O)[C@@H](N)CCCCN MCULE-6307487491 [1,1,0,0,0,0|1,0,1]=4 597 B10R0.83 COC(=O)[C@H](N)CCCCN MCULE-2204531892 [1,1,0,0,0,0|1,0,1]=4 598 B10R0.83 COC(=O)[C@H](N)CCCCN MCULE-2624615589 [1,1,0,0,0,0|1,0,1]=4 599 B10R0.83 COC(=O)[C@H](N)CCCCN MCULE-6994501008 [1,1,0,0,0,0|1,0,1]=4 600 B10R0.83 COC(=O)[C@H](N)CCCCN MCULE-7046980735 [1,1,0,0,0,0|1,0,1]=4 601 B10R0.83 COC(=O)[C@H](N)CCCCN MCULE-7404594930 [1,1,0,0,0,0|1,0,1]=4 602 B10R0.83 NCCCC[C@H](N)C(=O)NO MCULE-6731609596 [1,1,0,0,0,0|1,0,1]=4 603 B10R0.83 [C@H](N)(CCCCN)C(=O)OC MCULE-5018936719 [1,1,0,0,0,0|1,0,1]=4 604 B10R0.83 [C@H](N)(CCCCN)C(=O)OC MCULE-8447837964 [1,1,0,0,0,0|1,0,1]=4 605 B10R0.86 CNC(CCCCN)C(=O)O MCULE-3351204873 [1,1,0,0,0,0|1,0,1]=4 606 B10R0.86 CNC(CCCCN)C(=O)O MCULE-6279634717 [1,1,0,0,0,0|1,0,1]=4 607 B10R0.86 CN[C@@H](CCCCN)C(=O)O MCULE-1289342070 [1,1,0,0,0,0|1,0,1]=4 608 B10R0.86 CN[C@@H](CCCCN)C(=O)O MCULE-4082358865 [1,1,0,0,0,0|1,0,1]=4 609 B10R0.86 CN[C@@H](CCCCN)C(=O)O MCULE-5920807456 [1,1,0,0,0,0|1,0,1]=4 610 B10R0.86 CN[C@@H](CCCCN)C(=O)O MCULE-9072694055 [1,1,0,0,0,0|1,0,1]=4 611 B10R0.15 NC(=O)CNCCS(=O)(=O)O MCULE-4191456438 [1,1,0,0,0,0|2,0,0]=4 612 B10R0.55 CCC(=O)CCCCC(=O)O MCULE-8497826453 [1,1,0,0,0,0|2,0,0]=4 613 B10R0.55 CNC(=O)CCCCC(=O)O MCULE-3369426299 [1,1,0,0,0,0|1,0,0]=3 614 B10R0.55 COC(=O)CCCCC(=O)C MCULE-8144817566 [1,1,0,0,0,0|2,0,0]=4 615 B10R0.55 COC(=O)CCCCC(=O)Cl MCULE-8505175389 [1,1,0,0,0,0|2,0,0]=4 616 B10R0.55 COC(=O)CCCCC(=O)O MCULE-2104484744 [1,1,0,0,0,0|2,0,0]=4 617 B10R0.55 NCC(=O)NCCCC(=O)O MCULE-6161493754 [1,1,0,0,0,0|2,0,0]=4 618 B10R0.96 CC(=O)CC(=O)CCC(=O)O MCULE-6445854186 [1,1,0,0,0,0|2,0,0]=4 619 B10R0.96 CC(CCC(=O)O)CC(=O)O MCULE-7386549049 [1,1,0,0,0,0|2,0,0]=4 620 B10R0.96 C[C@H](CCC(=O)O)CC(=O)O MCULE-1721699813 [1,1,0,0,0,0|2,0,0]=4 621 B10R0.96 C[C@H](CCC(=O)O)CC(=O)O MCULE-7525360323 [1,1,0,0,0,0|2,0,0]=4 622 B10R0.96 NC(=O)CCC(N)CC(=O)O MCULE-3003314518 [1,1,0,0,0,0|1,0,0]=3 623 B10R0.96 NC(=O)CCC(N)CC(=O)O MCULE-7683510788 [1,1,0,0,0,0|1,0,0]=3 624 B10R0.96 NC(=O)CC[C@@H](N)CC(=O)O MCULE-8316748928 [1,1,0,0,0,0|1,0,0]=3 625 B10R0.96 NC(=O)CC[C@@H](N)CC(=O)O MCULE-8667775229 [1,1,0,0,0,0|1,0,0]=3 626 B10R0.96 NC(=O)CC[C@H](N)CC(=O)O MCULE-2836546299 [1,1,0,0,0,0|1,0,0]=3 627 B10R0.96 NC(=O)CC[C@H](N)CC(=O)O MCULE-4298371176 [1,1,0,0,0,0|1,0,0]=3 628 B10R0.96 NC(=O)CC[C@H](N)CC(=O)O MCULE-4441176096 [1,1,0,0,0,0|1,0,0]=3 629 B10R0.96 NC(=O)CC[C@H](N)CC(=O)O MCULE-5599562900 [1,1,0,0,0,0|1,0,0]=3 630 B10R0.96 NC(CCC(=O)O)CC(=O)O MCULE-8155260586 [1,1,0,0,0,0|2,0,0]=4 631 B10R0.96 NC(CCC(=O)O)CC(=O)O MCULE-8574900055 [1,1,0,0,0,0|2,0,0]=4 632 B10R0.96 N[C@@H](CCC(=O)O)CC(=O)O MCULE-5068946859 [1,1,0,0,0,0|2,0,0]=4 633 B10R0.96 N[C@@H](CCC(=O)O)CC(=O)O MCULE-8151605170 [1,1,0,0,0,0|2,0,0]=4 634 B10R0.96 N[C@@H](CCC(=O)O)CC(=O)O MCULE-8505675120 [1,1,0,0,0,0|2,0,0]=4 635 B10R0.96 N[C@@H](CCC(=O)O)CC(=O)O MCULE-9871725008 [1,1,0,0,0,0|2,0,0]=4 636 B10R0.96 N[C@H](CCC(=O)O)CC(=O)O MCULE-3923729315 [1,1,0,0,0,0|2,0,0]=4 637 B10R0.96 N[C@H](CCC(=O)O)CC(=O)O MCULE-6851763365 [1,1,0,0,0,0|2,0,0]=4 638 B10R0.13 CC(=O)OC(C)C(N)C(=O)O MCULE-2960070749 [0,1,0,0,1,0|1,1,0]=4 639 B10R0.13 CC(=O)OC(C)C(N)C(=O)O MCULE-7223559986 [0,1,0,0,1,0|1,1,0]=4 640 B10R0.13 CC(=O)O[C@H](C)[C@H](N)C(=O)O MCULE-3196057448 [0,1,0,0,1,0|1,1,0]=4 641 B10R0.13 CC(=O)O[C@H](C)[C@H](N)C(=O)O MCULE-4987228190 [0,1,0,0,1,0|1,1,0]=4 642 B10R0.13 CC(=O)O[C@H](C)[C@H](N)C(=O)O MCULE-8785750681 [0,1,0,0,1,0|1,1,0]=4 643 B10R0.13 CC(=O)O[C@H](C)[C@H](N)C(=O)O MCULE-9094583167 [0,1,0,0,1,0|1,1,0]=4 644 B10R0.13 C[C@@H](CC(=O)O)[C@@H](N)C(=O)O MCULE-3332620674 [0,1,0,0,1,0|1,0,0]=3 645 B10R0.13 C[C@@H](CC(=O)O)[C@H](N)C(=O)O MCULE-1191810017 [0,1,0,0,1,0|1,0,0]=3 646 B10R0.13 C[C@H](CC(=O)O)[C@@H](N)C(=O)O MCULE-6898866017 [0,1,0,0,1,0|1,0,0]=3 647 B10R0.13 C[C@H](CC(=O)O)[C@H](N)C(=O)O MCULE-5584040869 [0,1,0,0,1,0|1,0,0]=3 648 B10R0.13 N[C@@H](C(=O)O)[C@H](O)CC(=O)O MCULE-6540374220 [0,1,0,0,1,0|1,0,0]=3 649 B10R0.13 N[C@H](C(=O)O)[C@@H](F)CC(=O)O MCULE-4546449636 [0,1,0,0,1,0|1,0,0]=3 650 B10R0.43 CC(=O)CCC(C)(C)C(=O)O MCULE-7949244890 [0,1,0,0,1,0|2,0,0]=4 651 B10R0.43 CC(C)(CCC(=O)O)C(=O)O MCULE-3722680536 [0,1,0,0,1,0|2,0,0]=4 652 B10R0.43 CC(C)(SCC(=O)O)C(=O)O MCULE-9761119610 [0,1,0,0,1,0|2,0,0]=4 653 B10R0.43 CC(N)(CCC(=O)O)C(=O)O MCULE-3734637690 [0,1,0,0,1,0|1,0,0]=3 654 B10R0.43 C[C@@](N)(CCC(=O)O)C(=O)O MCULE-5201150112 [0,1,0,0,1,0|1,0,0]=3 655 B10R0.43 O=C(O)CCC(F)(F)C(=O)O MCULE-3909124499 [0,1,0,0,1,0|2,0,0]=4 656 B10R0.84 CCC(CCC(=O)C)C(=O)O MCULE-2983781440 [0,1,0,0,1,0|2,0,0]=4 657 B10R0.84 CNC(CCC(=O)O)C(=O)O MCULE-7159441787 [0,1,0,0,1,0|1,0,0]=3 658 B10R0.84 CNC(CCC(=O)O)C(=O)O MCULE-9982940361 [0,1,0,0,1,0|1,0,0]=3 659 B10R0.84 CN[C@@H](CCC(=O)N)C(=O)O MCULE-1463462281 [0,1,0,0,1,0|0,0,0]=2 660 B10R0.84 CN[C@@H](CCC(=O)O)C(=O)O MCULE-1322979818 [0,1,0,0,1,0|1,0,0]=3 661 B10R0.84 CN[C@@H](CCC(=O)O)C(=O)O MCULE-9405643691 [0,1,0,0,1,0|1,0,0]=3 662 B10R0.84 CN[C@H](CCC(=O)N)C(=O)O MCULE-2123714471 [0,1,0,0,1,0|0,0,0]=2 663 B10R0.84 CN[C@H](CCC(=O)O)C(=O)O MCULE-1735782000 [0,1,0,0,1,0|1,0,0]=3 664 B10R0.84 NN=C(CCC(=O)O)C(=O)O MCULE-4661582416 [0,1,0,0,1,0|1,0,1]=4 665 B10R0.92 CP(=O)(O)CCC(N)C(=O)O MCULE-1038057082 [0,1,0,0,1,0|2,0,0]=4 666 B10R0.92 CP(=O)(O)CCC(N)C(=O)O MCULE-7761179555 [0,1,0,0,1,0|2,0,0]=4 667 B10R0.92 CS(=N)(=O)CCC(N)C(=O)O MCULE-2268954465 [0,1,0,0,1,0|1,0,1]=4 668 B10R0.92 CS(=N)(=O)CCC(N)C(=O)O MCULE-2804558075 [0,1,0,0,1,0|1,0,1]=4 669 B10R0.92 CS(=N)(=O)CCC(N)C(=O)O MCULE-7485004955 [0,1,0,0,1,0|1,0,1]=4 670 B10R0.92 CS(=N)(=O)CC[C@@H](N)C(=O)O MCULE-3997574746 [0,1,0,0,1,0|1,0,1]=4 671 B10R0.92 CS(=N)(=O)CC[C@H](N)C(=O)O MCULE-1068341907 [0,1,0,0,1,0|1,0,1]=4 672 B10R0.92 CS(=N)(=O)CC[C@H](N)C(=O)O MCULE-3093123817 [0,1,0,0,1,0|1,0,1]=4 673 B10R0.92 CS(=O)(=O)CCC(N)C(=O)O MCULE-8107053430 [0,1,0,0,1,0|2,0,0]=4 674 B10R0.92 CS(=O)(=O)CC[C@@H](N)C(=O)O MCULE-1126326759 [0,1,0,0,1,0|2,0,0]=4 675 B10R0.92 CS(=O)(=O)CC[C@@H](N)C(=O)O MCULE-3558725435 [0,1,0,0,1,0|2,0,0]=4 676 B10R0.92 CS(=O)(=O)CC[C@H](N)C(=O)O MCULE-2269540933 [0,1,0,0,1,0|2,0,0]=4 677 B10R0.92 CS(=O)(=O)CC[C@H](N)C(=O)O MCULE-4203364916 [0,1,0,0,1,0|2,0,0]=4 678 B10R0.92 CS(=O)(=O)SCC(N)C(=O)O MCULE-1061975394 [0,1,0,0,1,0|2,0,0]=4 679 B10R0.92 NC(CCP(=O)(O)O)C(=O)O MCULE-2756478197 [0,1,0,0,1,0|2,0,0]=4 680 B10R0.92 NC(CCS(=O)(=O)O)C(=O)O MCULE-7377602601 [0,1,0,0,1,0|2,0,0]=4 681 B10R0.92 N[C@@H](CCP(=O)(O)O)C(=O)O MCULE-3863533502 [0,1,0,0,1,0|2,0,0]=4 682 B10R0.92 N[C@@H](CCP(=O)(O)O)C(=O)O MCULE-3988880216 [0,1,0,0,1,0|2,0,0]=4 683 B10R0.92 N[C@@H](CCS(=O)(=O)O)C(=O)O MCULE-8204260402 [0,1,0,0,1,0|2,0,0]=4 684 B10R0.92 N[C@@H](CSS(=O)(=O)O)C(=O)O MCULE-5127296011 [0,1,0,0,1,0|2,0,0]=4 685 B10R0.92 N[C@H](CCP(=O)(O)O)C(=O)O MCULE-4319868114 [0,1,0,0,1,0|2,0,0]=4 686 B10R0.92 N[C@H](CCP(=O)([O-])O)C(=O)O MCULE-5292220353 [0,1,0,0,1,0|2,0,0]=4 687 B10R0.92 [C@H](N)(CSS(=O)(=O)O)C(=O)O MCULE-9668444815 [0,1,0,0,1,0|2,0,0]=4 688 B10R0.93 CC(CC(C)C(=O)O)C(=O)O MCULE-1153209267 [0,1,0,0,1,0|2,0,0]=4 689 B10R0.93 CC(CC(N)C(=O)O)C(=O)O MCULE-4117547649 [0,1,0,0,1,0|1,0,0]=3 690 B10R0.93 C[C@H](C[C@H](N)C(=O)O)C(=O)O MCULE-2754578678 [0,1,0,0,1,0|1,0,0]=3 691 B10R0.93 C[C@H](C[C@H](N)C(=O)O)C(=O)O MCULE-7169309772 [0,1,0,0,1,0|1,0,0]=3 692 B10R0.93 NC(=O)[C@H](F)C[C@H](N)C(=O)O MCULE-6469307664 [0,1,0,0,1,0|0,0,0]=2 693 B10R0.93 NC(=O)[C@H](F)C[C@H](N)C(=O)O MCULE-6602424535 [0,1,0,0,1,0|0,0,0]=2 694 B10R0.93 NC(CC(F)C(=O)O)C(=O)O MCULE-9589470454 [0,1,0,0,1,0|1,0,0]=3 695 B10R0.93 NC(CC(N)C(=O)O)C(=O)O MCULE-1335465688 [0,1,0,0,1,0|1,0,0]=3 696 B10R0.93 NC(CC(N)C(=O)O)C(=O)O MCULE-4470732128 [0,1,0,0,1,0|1,0,0]=3 697 B10R0.93 NC(CC(O)C(=O)O)C(=O)O MCULE-2122152001 [0,1,0,0,1,0|1,0,0]=3 698 B10R0.93 N[C@@H](CC(F)C(=O)O)C(=O)O MCULE-2625841366 [0,1,0,0,1,0|1,0,0]=3 699 B10R0.93 N[C@@H](C[C@@H](N)C(=O)O)C(=O)O MCULE-5445779612 [0,1,0,0,1,0|1,0,0]=3 700 B10R0.93 N[C@@H](C[C@@H](N)C(=O)O)C(=O)O MCULE-9351036941 [0,1,0,0,1,0|1,0,0]=3 701 B10R0.93 N[C@@H](C[C@@H](O)C(=O)O)C(=O)O MCULE-2660596864 [0,1,0,0,1,0|1,0,0]=3 702 B10R0.93 N[C@@H](C[C@@H](O)C(=O)O)C(=O)O MCULE-6180379673 [0,1,0,0,1,0|1,0,0]=3 703 B10R0.93 N[C@@H](C[C@H](F)C(=O)O)C(=O)O MCULE-5145554613 [0,1,0,0,1,0|1,0,0]=3 704 B10R0.93 N[C@@H](C[C@H](F)C(=O)O)C(=O)O MCULE-9443069690 [0,1,0,0,1,0|1,0,0]=3 705 B10R0.93 N[C@@H](C[C@H](N)C(=O)O)C(=O)O MCULE-2341577942 [0,1,0,0,1,0|1,0,0]=3 706 B10R0.93 N[C@@H](C[C@H](N)C(=O)O)C(=O)O MCULE-4495746010 [0,1,0,0,1,0|1,0,0]=3 707 B10R0.93 N[C@@H](C[C@H](N)C(=O)O)C(=O)O MCULE-6284302068 [0,1,0,0,1,0|1,0,0]=3 708 B10R0.93 N[C@@H](C[C@H](N)C(=O)O)C(=O)O MCULE-6384488635 [0,1,0,0,1,0|1,0,0]=3 709 B10R0.93 N[C@@H](C[C@H](N)C(=O)O)C(=O)O MCULE-6724681365 [0,1,0,0,1,0|1,0,0]=3 710 B10R0.93 N[C@@H](C[C@H](N)C(=O)O)C(=O)O MCULE-8957870380 [0,1,0,0,1,0|1,0,0]=3 711 B10R0.93 N[C@@H](C[C@H](O)C(=O)O)C(=O)O MCULE-2217204949 [0,1,0,0,1,0|1,0,0]=3 712 B10R0.93 N[C@@H](C[C@H](O)C(=O)O)C(=O)O MCULE-8271752005 [0,1,0,0,1,0|1,0,0]=3 713 B10R0.93 N[C@H](C[C@@H](N)C(=O)O)C(=O)O MCULE-3848928339 [0,1,0,0,1,0|1,0,0]=3 714 B10R0.93 N[C@H](C[C@@H](N)C(=O)O)C(=O)O MCULE-4424451348 [0,1,0,0,1,0|1,0,0]=3 715 B10R0.93 N[C@H](C[C@@H](N)C(=O)O)C(=O)O MCULE-5729704628 [0,1,0,0,1,0|1,0,0]=3 716 B10R0.93 N[C@H](C[C@@H](N)C(=O)O)C(=O)O MCULE-8441844155 [0,1,0,0,1,0|1,0,0]=3 717 B10R0.93 N[C@H](C[C@H](O)C(=O)O)C(=O)O MCULE-8040485498 [0,1,0,0,1,0|1,0,0]=3 718 B10R0.93 O=C(O)C(Br)CC(Br)C(=O)O MCULE-2429859248 [0,1,0,0,1,0|2,0,0]=4 719 B10R0.93 O=C(O)C(O)SC(O)C(=O)O MCULE-2925160633 [0,1,0,0,1,0|2,0,0]=4 720 B12R0.86 COC(=O)C(N)CCCNC(=N)N MCULE-5000268586 [0,1,0,0,0,1|2,0,0]=4 721 B12R0.86 COC(=O)C(N)CCCNC(=O)N MCULE-3252838346 [0,1,0,0,0,1|1,0,0]=3 722 B12R0.86 COC(=O)[C@@H](N)CCCNC(=N)N MCULE-2986619830 [0,1,0,0,0,1|2,0,0]=4 723 B12R0.86 COC(=O)[C@@H](N)CCCNC(=N)N MCULE-6061371144 [0,1,0,0,0,1|2,0,0]=4 724 B12R0.86 COC(=O)[C@@H](N)CCCNC(=N)N MCULE-7173257489 [0,1,0,0,0,1|2,0,0]=4 725 B12R0.86 COC(=O)[C@@H](N)CCCNC(=N)N MCULE-7536983454 [0,1,0,0,0,1|2,0,0]=4 726 B12R0.86 COC(=O)[C@@H](N)CCCNC(=N)N MCULE-7555090022 [0,1,0,0,0,1|2,0,0]=4 727 B12R0.86 COC(=O)[C@@H](N)CCCNC(=O)N MCULE-5249311648 [0,1,0,0,0,1|1,0,0]=3 728 B12R0.86 COC(=O)[C@@H](N)CCCNC(=O)N MCULE-6644204781 [0,1,0,0,0,1|1,0,0]=3 729 B12R0.86 COC(=O)[C@H](N)CCCNC(=N)N MCULE-4290297534 [0,1,0,0,0,1|2,0,0]=4 730 B12R0.86 COC(=O)[C@H](N)CCCNC(=N)N MCULE-4345388880 [0,1,0,0,0,1|2,0,0]=4 731 B12R0.86 COC(=O)[C@H](N)CCCNC(=N)N MCULE-5054794948 [0,1,0,0,0,1|2,0,0]=4 732 B12R0.86 COC(=O)[C@H](N)CCCNC(=N)N MCULE-8949099168 [0,1,0,0,0,1|2,0,0]=4 733 B12R0.86 CSC(=O)[C@@H](N)CCCNC(=O)N MCULE-3142055425 [0,1,0,0,0,1|1,1,0]=4 734 B12R0.86 CSC(=O)[C@@H](N)CCCNC(=O)N MCULE-6193058345 [0,1,0,0,0,1|1,1,0]=4 735 B12R0.86 CSC(=O)[C@@H](N)CCCNC(=O)N MCULE-6954166742 [0,1,0,0,0,1|1,1,0]=4 736 B12R0.86 CSC(=O)[C@@H](N)CCCNC(=O)N MCULE-7859691382 [0,1,0,0,0,1|1,1,0]=4 737 B12R0.139 NC(CC(=O)NCC(=O)O)C(=O)O MCULE-3722590501 [0,1,0,0,0,1|2,0,0]=4 738 B12R0.139 N[C@@H](CC(=O)NCC(=O)O)C(=O)O MCULE-5859277015 [0,1,0,0,0,1|2,0,0]=4 739 B12R0.186 C/N=C(\N)/NCCC[C@@H](N)C(=O)O MCULE-1121225078 [0,1,0,0,0,1|2,0,0]=4 740 B12R0.186 C/N=C(\N)/NCCC[C@@H](N)C(=O)O MCULE-2907641468 [0,1,0,0,0,1|2,0,0]=4 741 B12R0.186 C/N=C(\N)/NCCC[C@H](N)C(=O)O MCULE-2729068755 [0,1,0,0,0,1|2,0,0]=4 742 B12R0.186 C/N=C(\N)/NCCC[C@H](N)C(=O)O MCULE-7531846873 [0,1,0,0,0,1|2,0,0]=4 743 B12R0.186 CNC(=N)NCCCC(N)C(=O)O MCULE-3120898540 [0,1,0,0,0,1|2,0,0]=4 744 B12R0.186 CNC(=N)NCCCC(N)C(=O)O MCULE-3301375059 [0,1,0,0,0,1|2,0,0]=4 745 B12R0.186 CNC(=N)NCCC[C@H](N)C(=O)O MCULE-1797380040 [0,1,0,0,0,1|2,0,0]=4 746 B12R0.186 CNC(=N)NCCC[C@H](N)C(=O)O MCULE-2048487137 [0,1,0,0,0,1|2,0,0]=4 747 B12R0.186 CNC(=N)NCCC[C@H](N)C(=O)O MCULE-4043013639 [0,1,0,0,0,1|2,0,0]=4 748 B12R0.186 CNC(=N)NCCC[C@H](N)C(=O)O MCULE-7261766442 [0,1,0,0,0,1|2,0,0]=4 749 B12R0.186 CS/C(=N\CCC[C@H](N)C(=O)O)/N MCULE-7775622185 [0,1,0,0,0,1|1,1,0]=4 750 B12R0.186 N=C(NN)NCCC[C@H](N)C(=O)O MCULE-2418194249 [0,1,0,0,0,1|2,0,0]=4 751 B12R0.186 N=C(NN)NCCC[C@H](N)C(=O)O MCULE-6985568991 [0,1,0,0,0,1|2,0,0]=4 752 B12R0.186 N=C(NO)NCCC[C@H](N)C(=O)O MCULE-1051612567 [0,1,0,0,0,1|2,0,0]=4 753 B12R0.186 N=C(NO)NCCC[C@H](N)C(=O)O MCULE-1231852000 [0,1,0,0,0,1|2,0,0]=4 754 B12R0.238 CN[C@@H](CCCNC(=N)N)C(=O)O MCULE-1167157550 [0,1,0,0,0,1|2,0,0]=4 755 B12R0.238 CN[C@@H](CCCNC(=N)N)C(=O)O MCULE-2963335078 [0,1,0,0,0,1|2,0,0]=4 756 B12R0.238 CN[C@@H](CCCNC(=N)N)C(=O)O MCULE-5560203385 [0,1,0,0,0,1|2,0,0]=4 757 B12R0.238 CN[C@@H](CCCNC(=N)N)C(=O)O MCULE-8602495389 [0,1,0,0,0,1|2,0,0]=4 758 B12R0.627 CC(CSCC(N)C(=O)O)C(=O)O MCULE-8019160796 [0,1,0,0,0,1|1,0,0]=3 759 B12R0.627 CC(CSC[C@H](N)C(=O)O)C(=O)O MCULE-1141812385 [0,1,0,0,0,1|1,0,0]=3 760 B12R0.627 CC(CSC[C@H](N)C(=O)O)C(=O)O MCULE-8490230025 [0,1,0,0,0,1|1,0,0]=3 761 B12R0.627 CC(SCSC(C)C(=O)O)C(=O)O MCULE-2283321003 [0,1,0,0,0,1|2,0,0]=4 762 B12R0.627 NC(CCCC(N)C(=O)O)C(=O)O MCULE-5199298661 [0,1,0,0,0,1|2,0,0]=4 763 B12R0.627 NC(CSCC(N)C(=O)O)C(=O)O MCULE-7420458378 [0,1,0,0,0,1|1,0,0]=3 764 B12R0.627 N[C@@H](CCC[C@@H](N)C(=O)O)C(=O)O MCULE-5816483960 [0,1,0,0,0,1|2,0,0]=4 765 B12R0.627 N[C@@H](CCC[C@H](N)C(=O)O)C(=O)O MCULE-1778670578 [0,1,0,0,0,1|2,0,0]=4 766 B12R0.627 N[C@@H](CCC[C@H](N)C(=O)O)C(=O)O MCULE-9178941791 [0,1,0,0,0,1|2,0,0]=4 767 B12R0.627 N[C@@H](CSC[C@H](N)C(=O)O)C(=O)O MCULE-1932719723 [0,1,0,0,0,1|1,0,0]=3 768 B12R0.627 N[C@@H](CSC[C@H](N)C(=O)O)C(=O)O MCULE-3341203729 [0,1,0,0,0,1|1,0,0]=3 769 B12R0.627 N[C@@H](C[Se]C[C@H](N)C(=O)O)C(=O)O MCULE-1101588173 [0,1,0,0,0,1|1,1,0]=4 770 B12R0.627 O=C(O)C(O)SCSC(O)C(=O)O MCULE-9583670044 [0,1,0,0,0,1|2,0,0]=4 771 B10R1.13 NC(=O)C1CCC(CO1)N MCULE-1702911232 [1,0,0,1,0,0|1,0,1]=4 772 B10R1.13 NC(=O)C1CCC(CO1)N MCULE-9609134356 [1,0,0,1,0,0|1,0,1]=4 773 B10R1.13 NC(=O)[C@@H]1CC[C@H](CO1)N MCULE-1123100792 [1,0,0,1,0,0|1,0,1]=4 774 B10R1.13 NC(=O)[C@@H]1CC[C@H](CO1)N MCULE-1890273222 [1,0,0,1,0,0|1,0,1]=4 775 B10R1.13 NC(=O)[C@@H]1CC[C@H](CO1)N MCULE-3122399272 [1,0,0,1,0,0|1,0,1]=4 776 B10R1.13 NC(=O)[C@@H]1CC[C@H](CO1)N MCULE-5583780093 [1,0,0,1,0,0|1,0,1]=4 777 B10R1.113 O=C1CCCC(C1)C(=O)O MCULE-6286773194 [1,0,0,1,0,0|2,0,0]=4 778 B10R1.113 O=C1CCCC(N1)C(=O)O MCULE-9444010827 [1,0,0,1,0,0|1,0,0]=3 779 B10R1.113 O=C1CCCC(N1)C(=O)O MCULE-9607599809 [1,0,0,1,0,0|1,0,0]=3 780 B10R1.113 O=C1CCC[C@@H](C1)C(=O)O MCULE-5396925186 [1,0,0,1,0,0|2,0,0]=4 781 B10R1.113 O=C1CCC[C@@H](N1)C(=O)O MCULE-3091454903 [1,0,0,1,0,0|1,0,0]=3 782 B10R1.113 O=C1CCC[C@@H](N1)C(=O)O MCULE-5853502175 [1,0,0,1,0,0|1,0,0]=3 783 B10R1.113 O=C1CCC[C@H](C1)C(=O)O MCULE-8936667281 [1,0,0,1,0,0|2,0,0]=4 784 B10R1.113 O=C1CCC[C@H](N1)C(=O)O MCULE-6509598163 [1,0,0,1,0,0|1,0,0]=3 785 B10R1.113 O=C1CCC[C@H](N1)C(=O)O MCULE-7646943695 [1,0,0,1,0,0|1,0,0]=3 786 B10R1.113 O=C1CNCC(N1)C(=O)O MCULE-4117148380 [1,0,0,1,0,0|1,0,0]=3 787 B10R1.113 O=C1CNC[C@@H](N1)C(=O)O MCULE-3006600193 [1,0,0,1,0,0|1,0,0]=3 788 B10R1.113 O=C1CNC[C@H](N1)C(=O)O MCULE-4345470043 [1,0,0,1,0,0|1,0,0]=3 789 B10R1.113 O=C1CSCC(N1)C(=O)O MCULE-7630386798 [1,0,0,1,0,0|0,0,0]=2 790 B10R1.113 O=C1CSC[C@H](N1)C(=O)O MCULE-1412113570 [1,0,0,1,0,0|0,0,0]=2 791 B10R1.113 O=C1NC(CCO1)C(=O)O MCULE-4281750243 [1,0,0,1,0,0|2,0,0]=4 792 B10R1.113 O=C1NCCC(N1)C(=O)O MCULE-6196729766 [1,0,0,1,0,0|2,0,0]=4 793 B10R1.113 O=C1N[C@@H](CCO1)C(=O)O MCULE-7121690603 [1,0,0,1,0,0|2,0,0]=4 794 B10R1.363 NC1(CCCSC1)C(=O)O MCULE-5875012341 [1,0,0,1,0,0|1,0,1]=4 795 B10R1.82 O=C(O)CCC1CC(=O)C1 MCULE-8509527472 [1,0,0,1,0,0|2,0,0]=4 796 B10R1.361 NC(=O)C1CCC1C(=O)O MCULE-3903818494 [1,0,0,1,0,0|1,0,0]=3 797 B10R1.361 NC(=O)[C@H]1CC[C@H]1C(=O)N MCULE-7732298882 [1,0,0,1,0,0|2,0,0]=4 798 B10R1.361 O=C(O)C1CCC1C(=O)O MCULE-6136792366 [1,0,0,1,0,0|2,0,0]=4 799 B10R1.361 O=C(O)[C@@H]1CC[C@H]1C(=O)O MCULE-2743190923 [1,0,0,1,0,0|2,0,0]=4 800 B10R1.361 O=C(O)[C@@H]1CC[C@H]1C(=O)O MCULE-6841335407 [1,0,0,1,0,0|2,0,0]=4 801 B10R1.361 O=C(O)[C@H]1CC[C@@H]1C(=O)O MCULE-3432000151 [1,0,0,1,0,0|2,0,0]=4 802 B10R1.361 O=C(O)[C@H]1CC[C@@H]1C(=O)O MCULE-6937334278 [1,0,0,1,0,0|2,0,0]=4 803 B10R1.361 O=C(O)[C@H]1CC[C@H]1C(=O)O MCULE-8609403409 [1,0,0,1,0,0|2,0,0]=4 804 B10R1.361 [C@@H]1(CC[C@@H]1C(=O)O)C(=O)O MCULE-4637916300 [1,0,0,1,0,0|2,0,0]=4 805 B10R1.349 NC(=O)N1CC(C1)C(=O)O MCULE-3854559032 [0,0,0,1,1,0|2,0,0]=4 806 B10R1.349 O=C(O)C1CC(C1)C(=O)O MCULE-7515334695 [0,0,0,1,1,0|2,0,0]=4 807 B10R1.349 O=C(O)C1CC(N1)C(=O)O MCULE-2441047831 [0,0,0,1,1,0|1,0,0]=3 808 B10R1.349 O=C(O)[C@H]1C[C@@H](C1)C(=O)O MCULE-7021077384 [0,0,0,1,1,0|2,0,0]=4 809 B10R1.349 O=C(O)[C@H]1C[C@H](C1)C(=O)O MCULE-2423808428 [0,0,0,1,1,0|2,0,0]=4 810 B10R1.359 O=C(O)C1CCS(=O)(=O)N1 MCULE-5768819085 [0,0,0,1,1,0|2,0,0]=4 811 B10R1.360 CC1(CC1C(=O)O)C(=O)O MCULE-1315514899 [0,0,0,1,1,0|2,0,0]=4 812 B10R1.470 CC1(CCC(=O)C1)C(=O)O MCULE-8301527257 [0,0,0,1,1,0|2,0,0]=4 813 B10R1.470 CC1(CCC(=O)N1)C(=O)O MCULE-6271364258 [0,0,0,1,1,0|1,0,0]=3 814 B10R1.470 CC1(CCC(=O)O1)C(=O)O MCULE-2009596037 [0,0,0,1,1,0|2,0,0]=4 815 B10R1.470 C[C@@]1(CCC(=O)N1)C(=O)O MCULE-6399167225 [0,0,0,1,1,0|1,0,0]=3 816 B10R1.470 C[C@@]1(CCC(=O)N1)C(=O)O MCULE-7144294782 [0,0,0,1,1,0|1,0,0]=3 817 B10R1.470 C[C@]1(CCC(=O)N1)C(=O)O MCULE-6153592913 [0,0,0,1,1,0|1,0,0]=3 818 B10R1.470 C[C@]1(CCC(=O)N1)C(=O)O MCULE-6971506580 [0,0,0,1,1,0|1,0,0]=3 819 B12R1.258 NC(=O)C1CCCC(C1)C(=O)O MCULE-2730743019 [0,0,0,1,0,1|2,0,0]=4 820 B12R1.258 NC(=O)C1CCC[C@@H](C1)C(=O)O MCULE-6377571763 [0,0,0,1,0,1|2,0,0]=4 821 B12R1.258 NC(=O)N1CCCC(C1)C(=O)O MCULE-6020689201 [0,0,0,1,0,1|2,0,0]=4 822 B12R1.258 NC(=O)N1CCCC(C1)C(=O)O MCULE-6379077809 [0,0,0,1,0,1|2,0,0]=4 823 B12R1.258 O=C(O)C1=CSCC(N1)C(=O)O MCULE-3571330151 [0,0,0,1,0,1|1,0,1]=4 824 B12R1.258 O=C(O)C1CCCC(N1)C(=O)O MCULE-1816268674 [0,0,0,1,0,1|2,0,0]=4 825 B12R1.258 O=C(O)[C@@H]1CCC[C@@H](N1)C(=O)O MCULE-3140137492 [0,0,0,1,0,1|2,0,0]=4 826 B12R1.2709 CC1(CCCCC(=O)N1)C(=O)O MCULE-4375736331 [0,0,0,1,0,1|2,0,0]=4 827 B12R1.359 COC(=O)C1CCC(N1)C(=O)O MCULE-7036567298 [0,1,0,1,0,0|2,0,0]=4 828 B12R1.256 NC(=O)[C@H]1CC[C@@H](CC1)C(=O)O MCULE-2692311130 [0,1,0,1,0,0|2,0,0]=4 829 B12R1.3139 NC1(CCC(C1)C(=O)O)C(=O)O MCULE-1405417232 [0,1,0,1,0,0|2,0,0]=4 830 B12R1.3139 NC1(CNC(C1)C(=O)O)C(=O)O MCULE-9527310205 [0,1,0,1,0,0|2,0,0]=4 831 B12R1.3139 N[C@@]1(CC[C@@H](C1)C(=O)O)C(=O)O MCULE-4408926373 [0,1,0,1,0,0|2,0,0]=4 832 B12R1.3139 N[C@@]1(CC[C@H](C1)C(=O)O)C(=O)O MCULE-1742292303 [0,1,0,1,0,0|2,0,0]=4 833 B12R1.3139 N[C@@]1(CC[C@H](C1)C(=O)O)C(=O)O MCULE-7896712617 [0,1,0,1,0,0|2,0,0]=4 834 B12R1.3139 N[C@]1(CC[C@H](C1)C(=O)O)C(=O)O MCULE-3448887245 [0,1,0,1,0,0|2,0,0]=4 835 B12R1.3139 N[C@]1(CN[C@H](C1)C(=O)O)C(=O)O MCULE-2628622202 [0,1,0,1,0,0|2,0,0]=4 836 B12R1.3139 [C@@H]1(CC[C@](C1)(N)C(=O)O)C(=O)O MCULE-1860669337 [0,1,0,1,0,0|2,0,0]=4 837 B8R0.9 C=CC(N)CCC(=O)O MCULE-3453656580 [1,0,0,0,1,0|2,0,0]=4 838 B8R0.9 C=CC(N)CCC(=O)O MCULE-4435406748 [1,0,0,0,1,0|2,0,0]=4 839 B8R0.9 C=C[C@@H](N)CCC(=O)O MCULE-5470042954 [1,0,0,0,1,0|2,0,0]=4 840 B8R0.9 C=C[C@@H](N)CCC(=O)O MCULE-9017090012 [1,0,0,0,1,0|2,0,0]=4 841 B8R0.9 C=C[C@H](N)CCC(=O)O MCULE-4615585642 [1,0,0,0,1,0|2,0,0]=4 842 B8R0.9 N[C@H](CO)CCC(=O)O MCULE-1233079264 [1,0,0,0,1,0|1,0,1]=4 843 B8R0.9 N[C@H](CO)CCC(=O)O MCULE-8091475267 [1,0,0,0,1,0|1,0,1]=4 844 B8R0.23 C(N)(CS(=O)C)C(=O)O MCULE-3320985154 [0,0,0,0,2,0|2,0,0]=4 845 B8R0.23 C=C(Br)CC(N)C(=O)O MCULE-2311003313 [0,0,0,0,2,0|2,0,0]=4 846 B8R0.23 C=C(Br)C[C@@H](N)C(=O)O MCULE-2061865879 [0,0,0,0,2,0|2,0,0]=4 847 B8R0.23 C=C(Br)C[C@@H](N)C(=O)O MCULE-6617690939 [0,0,0,0,2,0|2,0,0]=4 848 B8R0.23 C=C(Br)C[C@H](N)C(=O)O MCULE-2602336550 [0,0,0,0,2,0|2,0,0]=4 849 B8R0.23 C=C(Br)C[C@H](N)C(=O)O MCULE-9274484893 [0,0,0,0,2,0|2,0,0]=4 850 B8R0.23 C=C(C)CC(N)C(=O)O MCULE-5915882776 [0,0,0,0,2,0|2,0,0]=4 851 B8R0.23 C=C(C)C[C@@H](N)C(=O)O MCULE-2841714882 [0,0,0,0,2,0|2,0,0]=4 852 B8R0.23 C=C(C)C[C@H](N)C(=O)O MCULE-1029058491 [0,0,0,0,2,0|2,0,0]=4 853 B8R0.23 C=C(C)C[C@H](N)C(=O)O MCULE-6974720260 [0,0,0,0,2,0|2,0,0]=4 854 B8R0.23 C=C(Cl)CC(N)C(=O)O MCULE-3498417929 [0,0,0,0,2,0|2,0,0]=4 855 B8R0.23 C=C(Cl)CC(N)C(=O)O MCULE-7451890779 [0,0,0,0,2,0|2,0,0]=4 856 B8R0.23 CC(=O)C(N)CC(=O)O MCULE-7043175556 [0,0,0,0,2,0|2,0,0]=4 857 B8R0.23 CC(=O)CC(C)C(=O)O MCULE-4640477792 [0,0,0,0,2,0|2,0,0]=4 858 B8R0.23 CC(=O)CC(N)C(=O)O MCULE-6275652695 [0,0,0,0,2,0|1,0,0]=3 859 B8R0.23 CC(=O)CC(N)C(=O)O MCULE-6690241894 [0,0,0,0,2,0|1,0,0]=3 860 B8R0.23 CC(=O)CC(O)C(=O)O MCULE-4728629069 [0,0,0,0,2,0|2,0,0]=4 861 B8R0.23 CC(CC(=O)N)C(=O)O MCULE-8238400356 [0,0,0,0,2,0|1,0,0]=3 862 B8R0.23 CC(CC(=O)O)C(=O)O MCULE-4824634360 [0,0,0,0,2,0|2,0,0]=4 863 B8R0.23 CC(CC(=O)O)C(=O)O MCULE-8116748590 [0,0,0,0,2,0|2,0,0]=4 864 B8R0.23 CC(NC(=O)N)C(=O)O MCULE-9370944250 [0,0,0,0,2,0|2,0,0]=4 865 B8R0.23 CS(=O)CC(N)C(=O)O MCULE-5699602621 [0,0,0,0,2,0|2,0,0]=4 866 B8R0.23 CS(=O)C[C@@H](N)C(=O)O MCULE-8253087333 [0,0,0,0,2,0|2,0,0]=4 867 B8R0.23 CS(=O)C[C@H](N)C(=O)O MCULE-5080098254 [0,0,0,0,2,0|2,0,0]=4 868 B8R0.23 C[C@@H](CC(=O)O)C(=O)O MCULE-1711994689 [0,0,0,0,2,0|2,0,0]=4 869 B8R0.23 C[C@@H](CC(=O)O)C(=O)O MCULE-6107805812 [0,0,0,0,2,0|2,0,0]=4 870 B8R0.23 C[C@H](CC(=O)O)C(=O)O MCULE-2738295504 [0,0,0,0,2,0|2,0,0]=4 871 B8R0.23 C[C@H](CC(=O)O)C(=O)O MCULE-4544789339 [0,0,0,0,2,0|2,0,0]=4 872 B8R0.23 C[C@H](NC(=O)N)C(=O)O MCULE-7947685696 [0,0,0,0,2,0|2,0,0]=4 873 B8R0.23 C[S@](=O)C[C@@H](N)C(=O)O MCULE-4004385080 [0,0,0,0,2,0|2,0,0]=4 874 B8R0.23 NC(=O)C(N)CC(=O)O MCULE-2277575843 [0,0,0,0,2,0|2,0,0]=4 875 B8R0.23 NC(=O)CC(Br)C(=O)O MCULE-2823539046 [0,0,0,0,2,0|1,0,0]=3 876 B8R0.23 NC(=O)CC(N)C(=O)O MCULE-1395307434 [0,0,0,0,2,0|0,0,0]=2 877 B8R0.23 NC(=O)C[C@@H](N)C(=O)N MCULE-7126009795 [0,0,0,0,2,0|1,0,0]=3 878 B8R0.23 NC(=O)C[C@@H](N)C(=O)O MCULE-5685974579 [0,0,0,0,2,0|0,0,0]=2 879 B8R0.23 NC(=O)C[C@@H](N)C(=O)O MCULE-6923060287 [0,0,0,0,2,0|0,0,0]=2 880 B8R0.23 NC(=O)C[C@H](N)C(=O)N MCULE-3049784970 [0,0,0,0,2,0|1,0,0]=3 881 B8R0.23 NC(=O)C[C@H](N)C(=O)N MCULE-6209092318 [0,0,0,0,2,0|1,0,0]=3 882 B8R0.23 NC(=O)C[C@H](N)C(=O)N MCULE-7482170747 [0,0,0,0,2,0|1,0,0]=3 883 B8R0.23 NC(=O)C[C@H](N)C(=O)N MCULE-8939291995 [0,0,0,0,2,0|1,0,0]=3 884 B8R0.23 NC(=O)C[C@H](N)C(=O)O MCULE-1868046141 [0,0,0,0,2,0|0,0,0]=2 885 B8R0.23 NC(=O)C[C@H](N)C(=O)O MCULE-8248953574 [0,0,0,0,2,0|0,0,0]=2 886 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-1924512659 [0,0,0,0,2,0|2,0,0]=4 887 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-5836180326 [0,0,0,0,2,0|2,0,0]=4 888 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-8799617587 [0,0,0,0,2,0|2,0,0]=4 889 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-9477928215 [0,0,0,0,2,0|2,0,0]=4 890 B8R0.23 NC(=O)[C@H](N)CC(=O)O MCULE-5316198498 [0,0,0,0,2,0|2,0,0]=4 891 B8R0.23 NC(=O)[C@H](N)CC(=O)O MCULE-9833023193 [0,0,0,0,2,0|2,0,0]=4 892 B8R0.23 NC(CC(=O)O)C(=O)O MCULE-1247865301 [0,0,0,0,2,0|1,0,0]=3 893 B8R0.23 NC(CC(=O)O)C(=O)O MCULE-9328817309 [0,0,0,0,2,0|1,0,0]=3 894 B8R0.23 NC(CC(=O)O)C(=O)[O-] MCULE-5149469296 [0,0,0,0,2,0|1,0,1]=4 895 B8R0.23 NC(CC(=O)O)C(=O)[O-] MCULE-6655576025 [0,0,0,0,2,0|1,0,1]=4 896 B8R0.23 NC(CC(=O)[O-])C(=O)O MCULE-9221777365 [0,0,0,0,2,0|1,0,0]=3 897 B8R0.23 NC(CC(=O)[O-])C(=O)[O-] MCULE-5331717218 [0,0,0,0,2,0|1,0,1]=4 898 B8R0.23 NC(CC(=O)[O-])C(=O)[O-] MCULE-5921707862 [0,0,0,0,2,0|1,0,1]=4 899 B8R0.23 N[C@@H](CC(=O)O)C(=O)O MCULE-3710241722 [0,0,0,0,2,0|1,0,0]=3 900 B8R0.23 N[C@@H](CC(=O)O)C(=O)O MCULE-6700641640 [0,0,0,0,2,0|1,0,0]=3 901 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] MCULE-6196524297 [0,0,0,0,2,0|1,0,1]=4 902 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)O MCULE-5793000569 [0,0,0,0,2,0|1,0,0]=3 903 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-4019077430 [0,0,0,0,2,0|1,0,1]=4 904 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-5586538224 [0,0,0,0,2,0|1,0,1]=4 905 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-7845714288 [0,0,0,0,2,0|1,0,1]=4 906 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-8320700728 [0,0,0,0,2,0|1,0,1]=4 907 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-8905060145 [0,0,0,0,2,0|1,0,1]=4 908 B8R0.23 N[C@@H](CS(=O)O)C(=O)O MCULE-6647925908 [0,0,0,0,2,0|2,0,0]=4 909 B8R0.23 N[C@@H](CS(=O)O)C(=O)O MCULE-7596867929 [0,0,0,0,2,0|2,0,0]=4 910 B8R0.23 N[C@H](CC(=O)O)C(=O)O MCULE-8102700760 [0,0,0,0,2,0|1,0,0]=3 911 B8R0.23 O=C(O)CC(Br)C(=O)O MCULE-8178780603 [0,0,0,0,2,0|2,0,0]=4 912 B8R0.23 O=C(O)CC(Cl)C(=O)O MCULE-6357456691 [0,0,0,0,2,0|2,0,0]=4 913 B8R0.23 O=C(O)CC(F)C(=O)O MCULE-8433198001 [0,0,0,0,2,0|2,0,0]=4 914 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-5852208511 [0,0,0,0,2,0|2,0,0]=4 915 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-9713558868 [0,0,0,0,2,0|2,0,0]=4 916 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-9924961830 [0,0,0,0,2,0|2,0,0]=4 917 B8R0.23 O=C(O)CC(S)C(=O)O MCULE-7005300961 [0,0,0,0,2,0|2,0,0]=4 918 B8R0.23 O=C(O)C[C@@H](Br)C(=O)O MCULE-4598056907 [0,0,0,0,2,0|2,0,0]=4 919 B8R0.23 O=C(O)C[C@@H](Br)C(=O)O MCULE-7861798045 [0,0,0,0,2,0|2,0,0]=4 920 B8R0.23 O=C(O)C[C@@H](O)C(=O)O MCULE-2239273084 [0,0,0,0,2,0|2,0,0]=4 921 B8R0.23 O=C(O)C[C@@H](O)C(=O)O MCULE-4984266891 [0,0,0,0,2,0|2,0,0]=4 922 B8R0.23 O=C(O)C[C@H](Br)C(=O)O MCULE-6763472515 [0,0,0,0,2,0|2,0,0]=4 923 B8R0.23 O=C(O)C[C@H](Br)C(=O)O MCULE-7524683930 [0,0,0,0,2,0|2,0,0]=4 924 B8R0.23 O=C(O)C[C@H](F)C(=O)O MCULE-9607625100 [0,0,0,0,2,0|2,0,0]=4 925 B8R0.23 O=C(O)C[C@H](O)C(=O)O MCULE-8339271078 [0,0,0,0,2,0|2,0,0]=4 926 B8R0.23 O=C(O)C[C@H](O)C(=O)O MCULE-8865188741 [0,0,0,0,2,0|2,0,0]=4 927 B8R0.23 O=C(O)C[C@H](S)C(=O)O MCULE-6393371024 [0,0,0,0,2,0|2,0,0]=4 928 B8R0.23 [C@@H](N)(CC(=O)O)C(=O)O MCULE-7899824165 [0,0,0,0,2,0|1,0,0]=3 929 B8R0.23 [C@H](N)(CS(=O)C)C(=O)O MCULE-5084638505 [0,0,0,0,2,0|2,0,0]=4 930 B10R0.6 NCCCC[C@H](N)CC(=O)O MCULE-4895569973 [1,0,0,0,0,1|1,0,1]=4 931 B10R0.6 NCCCC[C@H](N)CC(=O)O MCULE-7821167225 [1,0,0,0,0,1|1,0,1]=4 932 B10R0.6 NCCCC[C@H](N)CC(=O)O MCULE-8763571530 [1,0,0,0,0,1|1,0,1]=4 933 B10R0.6 NCCCC[C@H](N)CC(=O)O MCULE-9870503005 [1,0,0,0,0,1|1,0,1]=4 934 B10R0.97 CC(=O)CCCCCC(=O)O MCULE-4488400468 [1,0,0,0,0,1|2,0,0]=4 935 B10R0.97 CC(=O)NCCCCC(=O)O MCULE-6323800073 [1,0,0,0,0,1|2,0,0]=4 936 B10R0.97 CC(=O)NCSCCC(=O)O MCULE-1672994332 [1,0,0,0,0,1|1,0,0]=3 937 B10R0.97 N=C(N)NCCCCC(=O)O MCULE-2807872503 [1,0,0,0,0,1|2,0,0]=4 938 B10R0.97 N=C(N)SCCCCC(=O)O MCULE-6602460811 [1,0,0,0,0,1|2,0,0]=4 939 B10R0.97 NC(=O)CCSCCC(=O)N MCULE-6169485438 [1,0,0,0,0,1|1,0,0]=3 940 B10R0.97 NC(=O)NCCCCC(=O)O MCULE-1121500109 [1,0,0,0,0,1|1,0,0]=3 941 B10R0.97 NC(=[NH2+])SCCCCC(=O)O MCULE-4252972328 [1,0,0,0,0,1|2,0,0]=4 942 B10R0.97 O=C(O)CCCCCC(=O)O MCULE-9618389016 [1,0,0,0,0,1|2,0,0]=4 943 B10R0.97 O=C(O)CCNCCC(=O)O MCULE-9497656945 [1,0,0,0,0,1|2,0,0]=4 944 B10R0.97 O=C(O)CCOCCC(=O)O MCULE-3213537394 [1,0,0,0,0,1|1,1,0]=4 945 B10R0.97 O=C(O)CCSCCC(=O)O MCULE-1300073378 [1,0,0,0,0,1|1,0,0]=3 946 B10R0.97 O=C(O)CSCSCC(=O)O MCULE-7223873834 [1,0,0,0,0,1|1,0,0]=3 947 B12R0.270 CC(=O)NCCC[C@@H](N)CC(=O)O MCULE-4886618146 [0,0,0,0,0,2|2,0,0]=4 948 B12R0.270 N=C(N)NCCC[C@@H](N)CC(=O)O MCULE-3804537269 [0,0,0,0,0,2|2,0,0]=4 949 B12R0.42 C/C(=N/CCCC[C@H](N)C(=O)O)/N MCULE-7878147954 [0,0,0,0,0,2|2,0,0]=4 950 B12R0.42 CC(=O)CCCCCC(N)C(=O)O MCULE-8560922815 [0,0,0,0,0,2|2,0,0]=4 951 B12R0.42 CC(=O)CCCCCC(N)C(=O)O MCULE-9405826819 [0,0,0,0,0,2|2,0,0]=4 952 B12R0.42 CC(=O)NCCCCC(N)C(=O)O MCULE-4363164306 [0,0,0,0,0,2|2,0,0]=4 953 B12R0.42 CC(=O)NCCCCC(N)C(=O)O MCULE-7418953050 [0,0,0,0,0,2|2,0,0]=4 954 B12R0.42 CC(=O)NCCCC[C@@H](N)C(=O)O MCULE-2826730309 [0,0,0,0,0,2|2,0,0]=4 955 B12R0.42 CC(=O)NCCCC[C@H](N)C(=O)O MCULE-2500699001 [0,0,0,0,0,2|2,0,0]=4 956 B12R0.42 CC(=O)NCCCC[C@H](N)C(=O)O MCULE-2747158053 [0,0,0,0,0,2|2,0,0]=4 957 B12R0.42 CC(=O)NCCCC[C@H](N)C(=O)O MCULE-8086021811 [0,0,0,0,0,2|2,0,0]=4 958 B12R0.42 CC(=O)NCCCC[C@H](N)C(=O)O MCULE-9503615061 [0,0,0,0,0,2|2,0,0]=4 959 B12R0.42 N=C(N)NCCCCC(N)C(=O)O MCULE-1114934644 [0,0,0,0,0,2|2,0,0]=4 960 B12R0.42 N=C(N)NCCCCC(N)C(=O)O MCULE-4078920174 [0,0,0,0,0,2|2,0,0]=4 961 B12R0.42 N=C(N)NCCCC[C@@H](N)C(=O)O MCULE-1049518743 [0,0,0,0,0,2|2,0,0]=4 962 B12R0.42 N=C(N)NCCCC[C@@H](N)C(=O)O MCULE-4108646118 [0,0,0,0,0,2|2,0,0]=4 963 B12R0.42 N=C(N)NCCCC[C@@H](N)C(=O)O MCULE-4835018951 [0,0,0,0,0,2|2,0,0]=4 964 B12R0.42 N=C(N)NCCCC[C@@H](N)C(=O)O MCULE-5471188514 [0,0,0,0,0,2|2,0,0]=4 965 B12R0.42 N=C(N)NCCCC[C@H](N)C(=O)O MCULE-1726271138 [0,0,0,0,0,2|2,0,0]=4 966 B12R0.42 N=C(N)NCCCC[C@H](N)C(=O)O MCULE-2352708400 [0,0,0,0,0,2|2,0,0]=4 967 B12R0.42 N=C(N)NCCCC[C@H](N)C(=O)O MCULE-6794898094 [0,0,0,0,0,2|2,0,0]=4 968 B12R0.42 N=C(N)NCCCC[C@H](N)C(=O)O MCULE-7371205614 [0,0,0,0,0,2|2,0,0]=4 969 B12R0.42 NC(=O)NCCCCC(N)C(=O)O MCULE-5422005056 [0,0,0,0,0,2|1,0,0]=3 970 B12R0.42 NC(=O)NCCCCC(N)C(=O)O MCULE-6598703304 [0,0,0,0,0,2|1,0,0]=3 971 B12R0.42 NC(=O)NCCCC[C@@H](N)C(=O)O MCULE-6382139330 [0,0,0,0,0,2|1,0,0]=3 972 B12R0.42 NC(=O)NCCCC[C@@H](N)C(=O)O MCULE-7025106309 [0,0,0,0,0,2|1,0,0]=3 973 B12R0.42 NC(=O)NCCCC[C@H](N)C(=O)O MCULE-7636320216 [0,0,0,0,0,2|1,0,0]=3 974 B12R0.42 NC(=O)NCCCC[C@H](N)C(=O)O MCULE-7719006708 [0,0,0,0,0,2|1,0,0]=3 975 B12R0.42 NC(CCCCCC(=O)O)C(=O)O MCULE-7949829956 [0,0,0,0,0,2|2,0,0]=4 976 B12R0.42 NC(CSCCCC(=O)O)C(=O)O MCULE-6552348472 [0,0,0,0,0,2|1,0,0]=3 977 B12R0.42 N[C@@H](CCCCCC(=O)O)C(=O)O MCULE-2069821066 [0,0,0,0,0,2|2,0,0]=4 978 B12R0.42 N[C@@H](CCCCCC(=O)O)C(=O)O MCULE-3495032122 [0,0,0,0,0,2|2,0,0]=4 979 B12R0.42 N[C@@H](CSCCCC(=O)O)C(=O)O MCULE-1221416102 [0,0,0,0,0,2|1,0,0]=3 980 B12R0.42 N[C@@H](CSCCCC(=O)O)C(=O)O MCULE-2038684739 [0,0,0,0,0,2|1,0,0]=3 981 B12R0.42 N[C@H](CCCCCC(=O)O)C(=O)O MCULE-2692259414 [0,0,0,0,0,2|2,0,0]=4 982 B12R0.42 N[C@H](CCCCCC(=O)O)C(=O)O MCULE-6806526657 [0,0,0,0,0,2|2,0,0]=4 983 B12R0.42 [C@@H](N)(CCCCNC(=O)C)C(=O)O MCULE-9387648281 [0,0,0,0,0,2|2,0,0]=4