0 B11R0.318 CC(=O)N(O)CCCP(=O)(O)O MCULE-1046565752 [0,0,0,0,0,0|4,0,0]=4 1 B11R0.318 NC(CC=CP(=O)(O)O)C(=O)O MCULE-8316215091 [0,0,0,0,0,0|1,0,1]=2 2 B11R0.318 NC(CCCP(=O)(O)O)C(=O)O MCULE-8623591326 [0,0,0,0,0,0|1,0,0]=1 3 B11R0.318 NC(CCCP(=O)(O)O)C(=O)[O-] MCULE-1190482144 [0,0,0,0,0,0|1,0,1]=2 4 B11R0.318 NC(CCCP(=O)([O-])O)C(=O)O MCULE-7628102703 [0,0,0,0,0,0|1,0,1]=2 5 B11R0.318 N[C@@H](CCCP(=O)(O)O)C(=O)O MCULE-4298011103 [0,0,0,0,0,0|1,0,0]=1 6 B11R0.318 N[C@@H](CCCP(=O)([O-])O)C(=O)O MCULE-2274115416 [0,0,0,0,0,0|1,0,1]=2 7 B11R0.318 N[C@H](CCCP(=O)(O)O)C(=O)O MCULE-4903649245 [0,0,0,0,0,0|1,0,0]=1 8 B11R0.318 N[C@H](CCCP(=O)(O)O)C(=O)O MCULE-6840301080 [0,0,0,0,0,0|1,0,0]=1 9 B11R0.318 [NH3+][C@@H](CCCP(=O)(O)O)C(=O)[O-] MCULE-2958965934 [0,0,0,0,0,0|1,0,2]=3 10 B10R0.15 O=C(O)CCCCP(=O)(O)O MCULE-9230270330 [1,0,0,0,0,0|1,0,0]=2 11 B10R0.60 O=CN(O)CCCP(=O)(O)O MCULE-2546868747 [1,0,0,0,0,0|3,0,0]=4 12 B10R0.98 NC(CCCC(=O)O)C(=O)O MCULE-3021567253 [1,0,0,0,0,0|2,0,0]=3 13 B10R0.98 NC(CCCC(=O)O)C(=O)O MCULE-7434229402 [1,0,0,0,0,0|2,0,0]=3 14 B10R0.98 NC(CCCC(=O)O)C(=O)O MCULE-8474963048 [1,0,0,0,0,0|2,0,0]=3 15 B10R0.98 NC(CSCC(=O)O)C(=O)O MCULE-1997609241 [1,0,0,0,0,0|1,0,0]=2 16 B10R0.98 N[C@@H](CCCC(=O)O)C(=O)O MCULE-1991686030 [1,0,0,0,0,0|2,0,0]=3 17 B10R0.98 N[C@@H](CCCC(=O)O)C(=O)O MCULE-6053925503 [1,0,0,0,0,0|2,0,0]=3 18 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O MCULE-3291004829 [1,0,0,0,0,0|1,0,0]=2 19 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O MCULE-3828091379 [1,0,0,0,0,0|1,0,0]=2 20 B10R0.98 N[C@H](CCCC(=O)O)C(=O)O MCULE-3179500404 [1,0,0,0,0,0|2,0,0]=3 21 B10R0.98 N[C@H](CCCC(=O)O)C(=O)O MCULE-9722366772 [1,0,0,0,0,0|2,0,0]=3 22 B10R0.98 O=C(O)CCCC(O)C(=O)O MCULE-5970708862 [1,0,0,0,0,0|3,0,0]=4 23 B10R0.98 O=C(O)CCC[C@H](O)C(=O)O MCULE-4157551693 [1,0,0,0,0,0|3,0,0]=4 24 B12R0.340 C/C(=C\C(N)C(=O)O)/CP(=O)(O)O MCULE-6375489669 [0,1,0,0,0,0|1,0,1]=3 25 B12R0.340 C/C(=C\[C@H](N)C(=O)O)/CP(=O)(O)O MCULE-3202436900 [0,1,0,0,0,0|1,0,1]=3 26 B12R0.340 CC(=CC(N)C(=O)O)CP(=O)(O)O MCULE-8338028309 [0,1,0,0,0,0|1,0,1]=3 27 B10R0.92 CP(=O)(O)CCC(=O)C(=O)O MCULE-1980572351 [0,0,0,0,1,0|2,0,1]=4 28 B10R0.92 CP(=O)(O)CCC(N)C(=O)O MCULE-1038057082 [0,0,0,0,1,0|1,0,0]=2 29 B10R0.92 CP(=O)(O)CCC(N)C(=O)O MCULE-7761179555 [0,0,0,0,1,0|1,0,0]=2 30 B10R0.92 CP(=O)([O-])CCC(N)C(=O)[O-] MCULE-3285075792 [0,0,0,0,1,0|1,0,2]=4 31 B10R0.92 CS(=N)(=O)CCC(N)C(=O)O MCULE-2268954465 [0,0,0,0,1,0|3,0,0]=4 32 B10R0.92 CS(=N)(=O)CCC(N)C(=O)O MCULE-2804558075 [0,0,0,0,1,0|3,0,0]=4 33 B10R0.92 CS(=N)(=O)CCC(N)C(=O)O MCULE-7485004955 [0,0,0,0,1,0|3,0,0]=4 34 B10R0.92 CS(=N)(=O)CC[C@@H](N)C(=O)O MCULE-3997574746 [0,0,0,0,1,0|3,0,0]=4 35 B10R0.92 CS(=N)(=O)CC[C@H](N)C(=O)O MCULE-1068341907 [0,0,0,0,1,0|3,0,0]=4 36 B10R0.92 CS(=N)(=O)CC[C@H](N)C(=O)O MCULE-3093123817 [0,0,0,0,1,0|3,0,0]=4 37 B10R0.92 CS(=O)(=O)CCC(N)C(=O)O MCULE-8107053430 [0,0,0,0,1,0|2,0,1]=4 38 B10R0.92 CS(=O)(=O)CC[C@@H](N)C(=O)O MCULE-1126326759 [0,0,0,0,1,0|2,0,1]=4 39 B10R0.92 CS(=O)(=O)CC[C@@H](N)C(=O)O MCULE-3558725435 [0,0,0,0,1,0|2,0,1]=4 40 B10R0.92 CS(=O)(=O)CC[C@H](N)C(=O)O MCULE-2269540933 [0,0,0,0,1,0|2,0,1]=4 41 B10R0.92 CS(=O)(=O)CC[C@H](N)C(=O)O MCULE-4203364916 [0,0,0,0,1,0|2,0,1]=4 42 B10R0.92 CS(=O)(=O)SCC(N)C(=O)O MCULE-1061975394 [0,0,0,0,1,0|2,0,1]=4 43 B10R0.92 NC(CCP(=O)(O)O)C(=O)O MCULE-2756478197 [0,0,0,0,1,0|0,0,0]=1 44 B10R0.92 NC(CCS(=O)(=O)O)C(=O)O MCULE-7377602601 [0,0,0,0,1,0|1,0,1]=3 45 B10R0.92 NC(COP(=O)(O)O)C(=O)O MCULE-1695816394 [0,0,0,0,1,0|0,1,0]=2 46 B10R0.92 NC(COS(=O)(=O)O)C(=O)O MCULE-5049646882 [0,0,0,0,1,0|1,1,1]=4 47 B10R0.92 NC(CSS(=O)(=O)O)C(=O)[O-] MCULE-4046079265 [0,0,0,0,1,0|1,0,2]=4 48 B10R0.92 N[C@@H](CCP(=O)(O)O)C(=O)O MCULE-3863533502 [0,0,0,0,1,0|0,0,0]=1 49 B10R0.92 N[C@@H](CCP(=O)(O)O)C(=O)O MCULE-3988880216 [0,0,0,0,1,0|0,0,0]=1 50 B10R0.92 N[C@@H](CCS(=O)(=O)O)C(=O)O MCULE-8204260402 [0,0,0,0,1,0|1,0,1]=3 51 B10R0.92 N[C@@H](COP(=O)(O)O)C(=O)O MCULE-3199737084 [0,0,0,0,1,0|0,1,0]=2 52 B10R0.92 N[C@@H](COP(=O)(O)O)C(=O)O MCULE-4907212979 [0,0,0,0,1,0|0,1,0]=2 53 B10R0.92 N[C@@H](COS(=O)(=O)O)C(=O)O MCULE-3746813647 [0,0,0,0,1,0|1,1,1]=4 54 B10R0.92 N[C@@H](COS(=O)(=O)O)C(=O)O MCULE-9474608832 [0,0,0,0,1,0|1,1,1]=4 55 B10R0.92 N[C@@H](CSS(=O)(=O)O)C(=O)O MCULE-5127296011 [0,0,0,0,1,0|1,0,1]=3 56 B10R0.92 N[C@@H](CSS(=O)(=O)O)C(=O)[O-] MCULE-1017024868 [0,0,0,0,1,0|1,0,2]=4 57 B10R0.92 N[C@@H](CSS(=O)(=O)O)C(=O)[O-] MCULE-7847954389 [0,0,0,0,1,0|1,0,2]=4 58 B10R0.92 N[C@H](CCP(=O)(O)O)C(=O)O MCULE-4319868114 [0,0,0,0,1,0|0,0,0]=1 59 B10R0.92 N[C@H](CCP(=O)([O-])O)C(=O)O MCULE-5292220353 [0,0,0,0,1,0|0,0,1]=2 60 B10R0.92 N[C@H](COP(=O)(O)O)C(=O)O MCULE-4002733556 [0,0,0,0,1,0|0,1,0]=2 61 B10R0.92 N[C@H](COP(=O)(O)O)C(=O)O MCULE-5554704102 [0,0,0,0,1,0|0,1,0]=2 62 B10R0.92 O=C(O)C(=O)COP(=O)(O)O MCULE-6558415212 [0,0,0,0,1,0|1,1,1]=4 63 B10R0.92 O=C(O)C(O)COP(=O)(O)O MCULE-4022388447 [0,0,0,0,1,0|1,1,0]=3 64 B10R0.92 O=C([O-])C(O)COP(=O)(O)O MCULE-5885787577 [0,0,0,0,1,0|1,1,1]=4 65 B10R0.92 [C@H](N)(CSS(=O)(=O)O)C(=O)O MCULE-9668444815 [0,0,0,0,1,0|1,0,1]=3 66 B12R0.264 NC(CC=CCP(=O)(O)O)C(=O)O MCULE-8957718744 [0,0,0,0,0,1|1,0,0]=2 67 B12R0.264 NC(CCCCP(=O)(O)O)C(=O)O MCULE-4265556920 [0,0,0,0,0,1|1,0,0]=2 68 B12R0.264 [C@H](N)(CCCCP(=O)(O)O)C(=O)O MCULE-3135079588 [0,0,0,0,0,1|1,0,0]=2 69 B9R0.55 NC(=O)CSCCC(=O)O MCULE-5092203912 [2,0,0,0,0,0|2,0,0]=4 70 B9R0.55 O=C(O)CCCCC(=O)O MCULE-1336748609 [2,0,0,0,0,0|2,0,0]=4 71 B9R0.55 O=C(O)CCCCC(=O)O MCULE-3664126855 [2,0,0,0,0,0|2,0,0]=4 72 B9R0.55 O=C(O)CCCCC(=O)O MCULE-6331125687 [2,0,0,0,0,0|2,0,0]=4 73 B9R0.55 O=C(O)CCCCC(=O)O MCULE-7006255210 [2,0,0,0,0,0|2,0,0]=4 74 B9R0.55 O=C(O)CCCCC(=O)O MCULE-7155960751 [2,0,0,0,0,0|2,0,0]=4 75 B9R0.55 O=C(O)CSSCC(=O)O MCULE-1938189832 [2,0,0,0,0,0|2,0,0]=4 76 B9R0.55 O=C(O)CSSCC(=O)O MCULE-2878758153 [2,0,0,0,0,0|2,0,0]=4 77 B9R0.47 C#CCSCC(N)C(=O)O MCULE-8696971754 [2,0,0,0,0,0|2,0,0]=4 78 B9R0.47 C#CCSC[C@H](N)C(=O)O MCULE-9301300062 [2,0,0,0,0,0|2,0,0]=4 79 B9R0.47 C=CCSCC(N)C(=O)O MCULE-6058548878 [2,0,0,0,0,0|2,0,0]=4 80 B9R0.47 C=CCSCC(N)C(=O)O MCULE-9209051108 [2,0,0,0,0,0|2,0,0]=4 81 B9R0.47 C=CCSC[C@@H](N)C(=O)O MCULE-8305031365 [2,0,0,0,0,0|2,0,0]=4 82 B9R0.47 C=CCSC[C@@H](N)C(=O)O MCULE-9911064679 [2,0,0,0,0,0|2,0,0]=4 83 B9R0.47 C=CCSC[C@H](N)C(=O)O MCULE-8106938913 [2,0,0,0,0,0|2,0,0]=4 84 B9R0.47 C=CCSC[C@H](N)C(=O)O MCULE-8215284816 [2,0,0,0,0,0|2,0,0]=4 85 B9R0.47 C=CCSC[C@H](N)C(=O)O MCULE-9415243514 [2,0,0,0,0,0|2,0,0]=4 86 B9R0.47 CCCSCC(N)C(=O)O MCULE-1465196294 [2,0,0,0,0,0|2,0,0]=4 87 B9R0.47 CCCSCC(N)C(=O)O MCULE-2196835186 [2,0,0,0,0,0|2,0,0]=4 88 B9R0.47 CCCSC[C@H](N)C(=O)O MCULE-2274873569 [2,0,0,0,0,0|2,0,0]=4 89 B9R0.47 CSCSC[C@H](N)C(=O)O MCULE-2792975111 [2,0,0,0,0,0|2,0,0]=4 90 B9R0.47 NC(CCCCO)C(=O)O MCULE-7372730935 [2,0,0,0,0,0|2,0,0]=4 91 B9R0.47 NC(CSCCO)C(=O)O MCULE-9765321939 [2,0,0,0,0,0|1,0,0]=3 92 B9R0.47 NCCSCC(N)C(=O)O MCULE-5256853681 [2,0,0,0,0,0|2,0,0]=4 93 B9R0.47 NCCSCC(N)C(=O)O MCULE-7420723141 [2,0,0,0,0,0|2,0,0]=4 94 B9R0.47 NCCSCC(N)C(=O)O MCULE-9409306380 [2,0,0,0,0,0|2,0,0]=4 95 B9R0.47 NCCSC[C@H](N)C(=O)O MCULE-3159724083 [2,0,0,0,0,0|2,0,0]=4 96 B9R0.47 NCCSC[C@H](N)C(=O)O MCULE-4836746198 [2,0,0,0,0,0|2,0,0]=4 97 B9R0.47 NCCSC[C@H](N)C(=O)O MCULE-6032940560 [2,0,0,0,0,0|2,0,0]=4 98 B9R0.47 NCCSC[C@H](N)C(=O)O MCULE-6994785146 [2,0,0,0,0,0|2,0,0]=4 99 B9R0.47 N[C@@H](CCCCO)C(=O)O MCULE-1855458643 [2,0,0,0,0,0|2,0,0]=4 100 B9R0.47 N[C@@H](CCCCO)C(=O)O MCULE-3280637244 [2,0,0,0,0,0|2,0,0]=4 101 B9R0.47 N[C@@H](CCCNO)C(=O)O MCULE-2690192301 [2,0,0,0,0,0|1,1,0]=4 102 B9R0.47 N[C@@H](CCCNO)C(=O)O MCULE-8331389811 [2,0,0,0,0,0|1,1,0]=4 103 B9R0.47 N[C@@H](CCCNO)C(=O)O MCULE-9071251692 [2,0,0,0,0,0|1,1,0]=4 104 B9R0.47 N[C@@H](CCCNO)C(=O)O MCULE-9613387165 [2,0,0,0,0,0|1,1,0]=4 105 B9R0.47 N[C@@H](CSCCO)C(=O)O MCULE-4219102659 [2,0,0,0,0,0|1,0,0]=3 106 B9R0.47 N[C@H](CSCCO)C(=O)O MCULE-6379323435 [2,0,0,0,0,0|1,0,0]=3 107 B9R0.47 [C@H](N)(CSCC#C)C(=O)O MCULE-3451460749 [2,0,0,0,0,0|2,0,0]=4 108 B11R0.199 O=P(O)(O)CCCCP(=O)(O)O MCULE-8065281274 [1,1,0,0,0,0|2,0,0]=4 109 B11R0.109 COC(=O)CCCC(N)C(=O)O MCULE-6525672180 [1,1,0,0,0,0|2,0,0]=4 110 B11R0.109 COC(=O)CCCC(N)C(=O)O MCULE-9595280451 [1,1,0,0,0,0|2,0,0]=4 111 B11R0.109 COC(=O)CCC[C@H](N)C(=O)O MCULE-3482420480 [1,1,0,0,0,0|2,0,0]=4 112 B11R0.109 COC(=O)CCC[C@H](N)C(=O)O MCULE-4023404585 [1,1,0,0,0,0|2,0,0]=4 113 B11R0.109 COC(=O)CCC[C@H](N)C(=O)O MCULE-7929391321 [1,1,0,0,0,0|2,0,0]=4 114 B11R0.109 COC(=O)CCC[C@H](N)C(=O)O MCULE-8630961555 [1,1,0,0,0,0|2,0,0]=4 115 B11R0.150 NC(CCC(N)C(=O)O)C(=O)O MCULE-3879325501 [1,1,0,0,0,0|2,0,0]=4 116 B11R0.150 NC(CCC(N)C(=O)O)C(=O)O MCULE-8835673266 [1,1,0,0,0,0|2,0,0]=4 117 B11R0.150 N[C@@H](CC[C@@H](N)C(=O)O)C(=O)O MCULE-1244462847 [1,1,0,0,0,0|2,0,0]=4 118 B11R0.150 N[C@@H](CC[C@@H](N)C(=O)O)C(=O)O MCULE-1836756247 [1,1,0,0,0,0|2,0,0]=4 119 B11R0.150 N[C@@H](CC[C@H](N)C(=O)O)C(=O)O MCULE-5252239426 [1,1,0,0,0,0|2,0,0]=4 120 B11R0.150 N[C@@H](CC[C@H](N)C(=O)O)C(=O)O MCULE-7091962514 [1,1,0,0,0,0|2,0,0]=4 121 B11R0.150 N[C@H](CC[C@@H](N)C(=O)O)C(=O)O MCULE-7748162622 [1,1,0,0,0,0|2,0,0]=4 122 B11R0.308 CC(OP(=O)(O)O)C(N)C(=O)O MCULE-3979704333 [0,1,0,0,1,0|0,1,0]=3 123 B11R0.308 C[C@@H](OP(=O)(O)O)[C@H](N)C(=O)O MCULE-3663360571 [0,1,0,0,1,0|0,1,0]=3 124 B11R0.308 C[C@@H](OP(=O)(O)O)[C@H](N)C(=O)O MCULE-4499625523 [0,1,0,0,1,0|0,1,0]=3 125 B11R0.429 CC(N)(CCP(=O)(O)O)C(=O)O MCULE-2760958330 [0,1,0,0,1,0|0,0,0]=2 126 B11R0.429 CC(N)(COP(=O)(O)O)C(=O)O MCULE-5462389544 [0,1,0,0,1,0|0,1,0]=3 127 B11R0.429 C[C@@](N)(CCP(=O)(O)O)C(=O)O MCULE-1287669186 [0,1,0,0,1,0|0,0,0]=2 128 B11R0.429 C[C@](N)(CCP(=O)(O)O)C(=O)O MCULE-2264066789 [0,1,0,0,1,0|0,0,0]=2 129 B13R0.409 CC(N)(CCCCP(=O)(O)O)C(=O)O MCULE-6301691591 [0,1,0,0,0,1|1,0,0]=3 130 B11R1.175 O=C(O)C1CSC(N1)C(=O)O MCULE-7618690294 [1,0,0,1,0,0|1,0,0]=3 131 B11R1.175 O=C(O)[C@@H]1CC[C@@H](N1)C(=O)O MCULE-3826760511 [1,0,0,1,0,0|2,0,0]=4 132 B11R1.704 C1(CC1C(=O)O)C(N)C(=O)O MCULE-4575165023 [1,0,0,1,0,0|2,0,0]=4 133 B11R1.704 N[C@H](C(=O)O)[C@H]1C[C@H]1C(=O)O MCULE-2251690284 [1,0,0,1,0,0|2,0,0]=4 134 B11R1.704 [C@@H]1(C[C@@H]1C(=O)O)[C@H](N)C(=O)O MCULE-9452045165 [1,0,0,1,0,0|2,0,0]=4 135 B11R1.704 [C@H]1(C[C@@H]1C(=O)O)[C@H](N)C(=O)O MCULE-8026317060 [1,0,0,1,0,0|2,0,0]=4 136 B13R1.8656 N[C@@]1(CC[C@@H](C1)P(=O)(O)O)C(=O)O MCULE-2118641141 [0,1,0,1,0,0|1,0,0]=3 137 B9R0.21 O=CC(O)COP(=O)(O)O MCULE-3089825671 [1,0,0,0,1,0|1,1,0]=4 138 B9R0.21 O=C[C@@H](O)COP(=O)(O)O MCULE-2424291446 [1,0,0,0,1,0|1,1,0]=4 139 B9R0.7 C(N)(CCC(=O)[O-])C(=O)O MCULE-5359010340 [1,0,0,0,1,0|1,0,1]=4 140 B9R0.7 CC(=O)SCC(N)C(=O)O MCULE-2891442308 [1,0,0,0,1,0|2,0,0]=4 141 B9R0.7 CC(=O)SCC(N)C(=O)O MCULE-4623851451 [1,0,0,0,1,0|2,0,0]=4 142 B9R0.7 CC(=O)SC[C@H](N)C(=O)O MCULE-1698125004 [1,0,0,0,1,0|2,0,0]=4 143 B9R0.7 CC(=O)SC[C@H](N)C(=O)O MCULE-6046193594 [1,0,0,0,1,0|2,0,0]=4 144 B9R0.7 CC(CCC(=O)O)C(=O)O MCULE-1523371907 [1,0,0,0,1,0|2,0,0]=4 145 B9R0.7 CC(CCC(=O)O)C(=O)O MCULE-1939523418 [1,0,0,0,1,0|2,0,0]=4 146 B9R0.7 CC(SCC(=O)O)C(=O)O MCULE-8523268796 [1,0,0,0,1,0|2,0,0]=4 147 B9R0.7 CS(=O)CCC(N)C(=O)O MCULE-2810141962 [1,0,0,0,1,0|2,0,0]=4 148 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-3901672243 [1,0,0,0,1,0|2,0,0]=4 149 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-3967415982 [1,0,0,0,1,0|2,0,0]=4 150 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-6481206030 [1,0,0,0,1,0|2,0,0]=4 151 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-6787807393 [1,0,0,0,1,0|2,0,0]=4 152 B9R0.7 CS(=O)CC[C@H](N)C(=O)O MCULE-1832499155 [1,0,0,0,1,0|2,0,0]=4 153 B9R0.7 C[C@@H](CCC(=O)O)C(=O)O MCULE-7515023265 [1,0,0,0,1,0|2,0,0]=4 154 B9R0.7 C[C@H](CCC(=O)O)C(=O)O MCULE-8441860655 [1,0,0,0,1,0|2,0,0]=4 155 B9R0.7 C[C@H](CCC(=O)O)C(=O)O MCULE-9071150671 [1,0,0,0,1,0|2,0,0]=4 156 B9R0.7 NC(=O)C(N)CCC(=O)O MCULE-7109792615 [1,0,0,0,1,0|2,0,0]=4 157 B9R0.7 NC(=O)C(N)CCC(=O)O MCULE-8741984156 [1,0,0,0,1,0|2,0,0]=4 158 B9R0.7 NC(=O)CCC(N)C(=O)O MCULE-1418655814 [1,0,0,0,1,0|2,0,0]=4 159 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O MCULE-7870225738 [1,0,0,0,1,0|2,0,0]=4 160 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O MCULE-9711806580 [1,0,0,0,1,0|2,0,0]=4 161 B9R0.7 NC(=O)CC[C@H](N)C(=O)O MCULE-7234937947 [1,0,0,0,1,0|2,0,0]=4 162 B9R0.7 NC(=O)CC[C@H](N)C(=O)O MCULE-8718820108 [1,0,0,0,1,0|2,0,0]=4 163 B9R0.7 NC(=O)SCC(N)C(=O)O MCULE-7865241343 [1,0,0,0,1,0|2,0,0]=4 164 B9R0.7 NC(=O)SC[C@H](N)C(=O)O MCULE-6647567669 [1,0,0,0,1,0|2,0,0]=4 165 B9R0.7 NC(=O)SC[C@H](N)C(=O)O MCULE-7995535877 [1,0,0,0,1,0|2,0,0]=4 166 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O MCULE-7404893649 [1,0,0,0,1,0|2,0,0]=4 167 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O MCULE-7580681383 [1,0,0,0,1,0|2,0,0]=4 168 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-3142698040 [1,0,0,0,1,0|2,0,0]=4 169 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-3865619229 [1,0,0,0,1,0|2,0,0]=4 170 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-8184010011 [1,0,0,0,1,0|2,0,0]=4 171 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-8981731652 [1,0,0,0,1,0|2,0,0]=4 172 B9R0.7 NC(CCC(=O)O)C(=O)O MCULE-4203507491 [1,0,0,0,1,0|1,0,0]=3 173 B9R0.7 NC(CCC(=O)O)C(=O)O MCULE-4600207704 [1,0,0,0,1,0|1,0,0]=3 174 B9R0.7 NC(CCC(=O)O)C(=O)O MCULE-8107432729 [1,0,0,0,1,0|1,0,0]=3 175 B9R0.7 NC(CCC(=O)[O-])C(=O)O MCULE-5012956158 [1,0,0,0,1,0|1,0,1]=4 176 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-6077524166 [1,0,0,0,1,0|1,0,0]=3 177 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-7201150413 [1,0,0,0,1,0|1,0,0]=3 178 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-7328895736 [1,0,0,0,1,0|1,0,0]=3 179 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-7782530856 [1,0,0,0,1,0|1,0,0]=3 180 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-9447720868 [1,0,0,0,1,0|1,0,0]=3 181 B9R0.7 N[C@@H](CCC(=O)O)C(=O)[O-] MCULE-3042990215 [1,0,0,0,1,0|1,0,1]=4 182 B9R0.7 N[C@@H](CCC(=O)[O-])C(=O)O MCULE-2315425063 [1,0,0,0,1,0|1,0,1]=4 183 B9R0.7 N[C@@H](CCC(=O)[O-])C(=O)O MCULE-4367391999 [1,0,0,0,1,0|1,0,1]=4 184 B9R0.7 N[C@H](CCC(=O)O)C(=O)O MCULE-5884691541 [1,0,0,0,1,0|1,0,0]=3 185 B9R0.7 N[C@H](CCC(=O)O)C(=O)O MCULE-6647836957 [1,0,0,0,1,0|1,0,0]=3 186 B9R0.7 O=C(O)CCC(Cl)C(=O)O MCULE-8696439839 [1,0,0,0,1,0|2,0,0]=4 187 B9R0.7 O=C(O)CCC(O)C(=O)O MCULE-5732806069 [1,0,0,0,1,0|2,0,0]=4 188 B9R0.7 O=C(O)CC[C@@H](O)C(=O)O MCULE-2990674754 [1,0,0,0,1,0|2,0,0]=4 189 B9R0.7 O=C(O)CC[C@@H](O)C(=O)O MCULE-9463608806 [1,0,0,0,1,0|2,0,0]=4 190 B9R0.7 O=C(O)CC[C@H](Br)C(=O)O MCULE-3541564241 [1,0,0,0,1,0|2,0,0]=4 191 B9R0.7 O=C(O)CC[C@H](Br)C(=O)O MCULE-5484001209 [1,0,0,0,1,0|2,0,0]=4 192 B9R0.7 O=C(O)CC[C@H](Cl)C(=O)O MCULE-4338578978 [1,0,0,0,1,0|2,0,0]=4 193 B9R0.7 O=C(O)CC[C@H](O)C(=O)O MCULE-4494756126 [1,0,0,0,1,0|2,0,0]=4 194 B9R0.7 P(=O)(O)CC[C@H](N)C(=O)O MCULE-2875179933 [1,0,0,0,1,0|0,0,0]=2 195 B9R0.7 [C@H](N)(CCC(=O)O)C(=O)N MCULE-1881473683 [1,0,0,0,1,0|2,0,0]=4 196 B9R0.7 [C@H](N)(CCC(=O)O)C(=O)O MCULE-8526087521 [1,0,0,0,1,0|1,0,0]=3 197 B9R0.7 [C@H](N)(CCS(=O)C)C(=O)O MCULE-2995684872 [1,0,0,0,1,0|2,0,0]=4 198 B9R0.7 [C@H](O)(CCC(=O)O)C(=O)O MCULE-8564542509 [1,0,0,0,1,0|2,0,0]=4 199 B9R0.57 NC(CP(=O)(O)O)C(=O)O MCULE-3742656954 [0,0,0,0,2,0|0,0,0]=2 200 B9R0.57 NC(CS(=O)(=O)O)C(=O)O MCULE-3360025136 [0,0,0,0,2,0|1,0,1]=4 201 B9R0.57 NC(CS(=O)(=O)O)C(=O)O MCULE-4680118250 [0,0,0,0,2,0|1,0,1]=4 202 B9R0.57 N[C@@H](CP(=O)(O)O)C(=O)O MCULE-6935567843 [0,0,0,0,2,0|0,0,0]=2 203 B9R0.57 N[C@@H](CS(=O)(=O)O)C(=O)O MCULE-1558128725 [0,0,0,0,2,0|1,0,1]=4 204 B9R0.57 N[C@@H](CS(=O)(=O)O)C(=O)O MCULE-6109276112 [0,0,0,0,2,0|1,0,1]=4 205 B9R0.57 O=C(O)C(O)OP(=O)(O)O MCULE-2072428473 [0,0,0,0,2,0|1,1,0]=4 206 B11R0.31 O=C(O)CCCCCP(=O)(O)O MCULE-8946955517 [1,0,0,0,0,1|1,0,0]=3 207 B11R0.29 CC(=O)NCSCC(N)C(=O)O MCULE-1709640374 [1,0,0,0,0,1|2,0,0]=4 208 B11R0.29 CC(=O)NCSCC(N)C(=O)O MCULE-3550759506 [1,0,0,0,0,1|2,0,0]=4 209 B11R0.29 CC(=O)NCSC[C@@H](N)C(=O)O MCULE-6373295824 [1,0,0,0,0,1|2,0,0]=4 210 B11R0.29 CC(=O)NCSC[C@@H](N)C(=O)O MCULE-7013130042 [1,0,0,0,0,1|2,0,0]=4 211 B11R0.29 CC(=O)NCSC[C@@H](N)C(=O)O MCULE-7188611038 [1,0,0,0,0,1|2,0,0]=4 212 B11R0.29 CC(=O)NCSC[C@@H](N)C(=O)O MCULE-8606728410 [1,0,0,0,0,1|2,0,0]=4 213 B11R0.29 CC(=O)NCSC[C@H](N)C(=O)O MCULE-2695923449 [1,0,0,0,0,1|2,0,0]=4 214 B11R0.29 NC(CCCCC(=O)O)C(=O)O MCULE-2486712857 [1,0,0,0,0,1|2,0,0]=4 215 B11R0.29 NC(CSCCB(O)O)C(=O)O MCULE-7425052021 [1,0,0,0,0,1|1,0,0]=3 216 B11R0.29 NC(CSCCB(O)O)C(=O)O MCULE-8991194580 [1,0,0,0,0,1|1,0,0]=3 217 B11R0.29 NC(CSCCC(=O)O)C(=O)O MCULE-1817232859 [1,0,0,0,0,1|1,0,0]=3 218 B11R0.29 N[C@@H](CCCCB(O)O)C(=O)O MCULE-3187192569 [1,0,0,0,0,1|2,0,0]=4 219 B11R0.29 N[C@@H](CCCCB(O)O)C(=O)O MCULE-7635800556 [1,0,0,0,0,1|2,0,0]=4 220 B11R0.29 N[C@@H](CCCCB(O)O)C(=O)O MCULE-7716159403 [1,0,0,0,0,1|2,0,0]=4 221 B11R0.29 N[C@@H](CCCCB(O)O)C(=O)O MCULE-8309654000 [1,0,0,0,0,1|2,0,0]=4 222 B11R0.29 N[C@@H](CCCCC(=O)O)C(=O)O MCULE-3457014875 [1,0,0,0,0,1|2,0,0]=4 223 B11R0.29 N[C@@H](CCCCC(=O)O)C(=O)O MCULE-4557682979 [1,0,0,0,0,1|2,0,0]=4 224 B11R0.29 N[C@@H](CSCCB(O)O)C(=O)O MCULE-1378566517 [1,0,0,0,0,1|1,0,0]=3 225 B11R0.29 N[C@@H](CSCCB(O)O)C(=O)O MCULE-2158139364 [1,0,0,0,0,1|1,0,0]=3 226 B11R0.29 N[C@@H](CSCCB(O)O)C(=O)O MCULE-8839722581 [1,0,0,0,0,1|1,0,0]=3 227 B11R0.29 N[C@@H](CSCCB(O)O)C(=O)O MCULE-8903543883 [1,0,0,0,0,1|1,0,0]=3 228 B11R0.29 N[C@@H](CSCCC(=O)O)C(=O)O MCULE-2469874774 [1,0,0,0,0,1|1,0,0]=3 229 B11R0.29 N[C@@H](CSCCC(=O)O)C(=O)O MCULE-8976065741 [1,0,0,0,0,1|1,0,0]=3 230 B11R0.29 N[C@H](CCCCC(=O)O)C(=O)O MCULE-7148013181 [1,0,0,0,0,1|2,0,0]=4 231 B11R0.29 N[C@H](CCCCC(=O)O)C(=O)O MCULE-8965199592 [1,0,0,0,0,1|2,0,0]=4 232 B11R0.29 N[C@H](CSCCC(=O)O)C(=O)O MCULE-5217293992 [1,0,0,0,0,1|1,0,0]=3 233 B11R0.29 [C@H](N)(CSCNC(=O)C)C(=O)O MCULE-5543687296 [1,0,0,0,0,1|2,0,0]=4 234 B11R0.29 [C@H](N)(CSCNC(=O)C)C(=O)O MCULE-9668621656 [1,0,0,0,0,1|2,0,0]=4 235 B13R0.354 NC(CCCCCP(=O)(O)O)C(=O)O MCULE-7179125158 [0,0,0,0,0,2|1,0,0]=3 236 B13R0.354 N[C@@H](CCCCCP(=O)(O)O)C(=O)O MCULE-6613789913 [0,0,0,0,0,2|1,0,0]=3 237 B13R0.354 N[C@H](CCCCCP(=O)(O)O)C(=O)O MCULE-9148705810 [0,0,0,0,0,2|1,0,0]=3 238 B13R0.354 [C@@H](N)(CCCCCP(=O)(O)O)C(=O)O MCULE-2543492016 [0,0,0,0,0,2|1,0,0]=3