0 B8R0.2 C=CC(C)C(C)C(=O)O MCULE-6762624939 [0,0,0,0,0,0|3,0,1]=4 1 B8R0.2 CC(=C(O)C(O)CO)C MCULE-6683708267 [0,0,0,0,0,0|2,0,1]=3 2 B8R0.2 CC(=O)C(O)C(O)CO MCULE-1853649042 [0,0,0,0,0,0|1,0,0]=1 3 B8R0.2 CC(=O)[C@@H](O)[C@H](O)CO MCULE-9565941206 [0,0,0,0,0,0|1,0,0]=1 4 B8R0.2 CC(O)C(O)C(O)C=O MCULE-2576273900 [0,0,0,0,0,0|1,0,3]=4 5 B8R0.2 CCC(=O)C(C)C(=O)O MCULE-9192813670 [0,0,0,0,0,0|2,0,2]=4 6 B8R0.2 CCC(C)C(=O)C(=O)O MCULE-2376245949 [0,0,0,0,0,0|2,0,2]=4 7 B8R0.2 CCC(C)C(Br)C(=O)O MCULE-1124609284 [0,0,0,0,0,0|3,0,0]=3 8 B8R0.2 CCC(C)C(C)C(=O)C MCULE-4030096724 [0,0,0,0,0,0|4,0,0]=4 9 B8R0.2 CCC(C)C(C)C(=O)O MCULE-9360443230 [0,0,0,0,0,0|3,0,0]=3 10 B8R0.2 CCC(C)C(N)C(=O)N MCULE-7314175276 [0,0,0,0,0,0|4,0,0]=4 11 B8R0.2 CCC(C)C(N)C(=O)N MCULE-8895055670 [0,0,0,0,0,0|4,0,0]=4 12 B8R0.2 CCC(C)C(N)C(=O)O MCULE-9861955295 [0,0,0,0,0,0|3,0,0]=3 13 B8R0.2 CCC(C)C(O)C(=O)N MCULE-2649023234 [0,0,0,0,0,0|3,0,0]=3 14 B8R0.2 CCC(C)C(O)C(=O)O MCULE-4300622531 [0,0,0,0,0,0|2,0,0]=2 15 B8R0.2 CCC(O)C(C)C(=O)O MCULE-7278088016 [0,0,0,0,0,0|2,0,0]=2 16 B8R0.2 CCC(O)C(N)C(=O)O MCULE-5277569808 [0,0,0,0,0,0|2,0,0]=2 17 B8R0.2 CCC(O)[C@H](N)C(=O)O MCULE-7480930876 [0,0,0,0,0,0|2,0,0]=2 18 B8R0.2 CCN(C)C(C)C(=O)O MCULE-6064336068 [0,0,0,0,0,0|4,0,0]=4 19 B8R0.2 CCN(C)[C@@H](C)C(=O)O MCULE-9158211664 [0,0,0,0,0,0|4,0,0]=4 20 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O MCULE-1413119398 [0,0,0,0,0,0|3,0,0]=3 21 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O MCULE-5186925599 [0,0,0,0,0,0|3,0,0]=3 22 B8R0.2 CC[C@@H](C)[C@H](Br)C(=O)O MCULE-5041492133 [0,0,0,0,0,0|3,0,0]=3 23 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O MCULE-2706440971 [0,0,0,0,0,0|3,0,0]=3 24 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O MCULE-8101207882 [0,0,0,0,0,0|3,0,0]=3 25 B8R0.2 CC[C@@H](O)[C@H](N)C(=O)O MCULE-1048734191 [0,0,0,0,0,0|2,0,0]=2 26 B8R0.2 CC[C@@H](O)[C@H](N)C(=O)O MCULE-1935827385 [0,0,0,0,0,0|2,0,0]=2 27 B8R0.2 CC[C@@H](O)[C@H](N)C(=O)O MCULE-8753855708 [0,0,0,0,0,0|2,0,0]=2 28 B8R0.2 CC[C@@H](O)[C@H](N)C(=O)O MCULE-9854510560 [0,0,0,0,0,0|2,0,0]=2 29 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O MCULE-1200159118 [0,0,0,0,0,0|3,0,0]=3 30 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O MCULE-1359318144 [0,0,0,0,0,0|3,0,0]=3 31 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O MCULE-9629903099 [0,0,0,0,0,0|3,0,0]=3 32 B8R0.2 CC[C@H](C)[C@@H](O)C(=O)O MCULE-6017510763 [0,0,0,0,0,0|2,0,0]=2 33 B8R0.2 CC[C@H](C)[C@H](Cl)C(=O)O MCULE-1760352503 [0,0,0,0,0,0|3,0,0]=3 34 B8R0.2 CC[C@H](C)[C@H](Cl)C(=O)O MCULE-2341573677 [0,0,0,0,0,0|3,0,0]=3 35 B8R0.2 CC[C@H](C)[C@H](N)C(=O)N MCULE-3415036603 [0,0,0,0,0,0|4,0,0]=4 36 B8R0.2 CC[C@H](C)[C@H](N)C(=O)N MCULE-9677139342 [0,0,0,0,0,0|4,0,0]=4 37 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O MCULE-2215911951 [0,0,0,0,0,0|3,0,0]=3 38 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O MCULE-3217669453 [0,0,0,0,0,0|3,0,0]=3 39 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O MCULE-2804875804 [0,0,0,0,0,0|2,0,0]=2 40 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O MCULE-4272353967 [0,0,0,0,0,0|2,0,0]=2 41 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O MCULE-6087026464 [0,0,0,0,0,0|2,0,0]=2 42 B8R0.2 CC[C@H](O)[C@@H](N)C(=O)O MCULE-2118005753 [0,0,0,0,0,0|2,0,0]=2 43 B8R0.2 CC[C@H](O)[C@@H](N)C(=O)O MCULE-2420221886 [0,0,0,0,0,0|2,0,0]=2 44 B8R0.2 CC[C@H](O)[C@@H](N)C(=O)O MCULE-7168739287 [0,0,0,0,0,0|2,0,0]=2 45 B8R0.2 CC[C@H](O)[C@@H](N)C(=O)O MCULE-7351381830 [0,0,0,0,0,0|2,0,0]=2 46 B8R0.2 COC(C)C(Br)C(=O)O MCULE-2500266383 [0,0,0,0,0,0|4,0,0]=4 47 B8R0.2 COC(C)C(O)C(=O)O MCULE-2673265957 [0,0,0,0,0,0|3,0,0]=3 48 B8R0.2 CO[C@@H](C)[C@@H](N)C(=O)O MCULE-2479965444 [0,0,0,0,0,0|4,0,0]=4 49 B8R0.2 CO[C@@H](C)[C@@H](N)C(=O)O MCULE-3288712191 [0,0,0,0,0,0|4,0,0]=4 50 B8R0.2 CO[C@@H](C)[C@@H](N)C(=O)O MCULE-6827226453 [0,0,0,0,0,0|4,0,0]=4 51 B8R0.2 CO[C@@H](C)[C@H](N)C(=O)O MCULE-6762158780 [0,0,0,0,0,0|4,0,0]=4 52 B8R0.2 CO[C@@H](C)[C@H](N)C(=O)O MCULE-9087542117 [0,0,0,0,0,0|4,0,0]=4 53 B8R0.2 CO[C@H](C)[C@@H](N)C(=O)O MCULE-6235935164 [0,0,0,0,0,0|4,0,0]=4 54 B8R0.2 CO[C@H](C)[C@@H](N)C(=O)O MCULE-6758536252 [0,0,0,0,0,0|4,0,0]=4 55 B8R0.2 CO[C@H](C)[C@H](N)C(=O)O MCULE-7334607468 [0,0,0,0,0,0|4,0,0]=4 56 B8R0.2 CO[C@H](C)[C@H](N)C(=O)O MCULE-8564530384 [0,0,0,0,0,0|4,0,0]=4 57 B8R0.2 CSC(C)C(N)C(=O)O MCULE-6226096646 [0,0,0,0,0,0|4,0,0]=4 58 B8R0.2 C[C@@H](O)[C@@H](O)[C@@H](O)C=O MCULE-1942337033 [0,0,0,0,0,0|1,0,3]=4 59 B8R0.2 C[C@@H](O)[C@@H](O)[C@@H](O)C=O MCULE-4131864005 [0,0,0,0,0,0|1,0,3]=4 60 B8R0.2 C[C@H](O)[C@H](O)[C@@H](O)C=O MCULE-8061692459 [0,0,0,0,0,0|1,0,3]=4 61 B8R0.2 C[C@H](O)[C@H](O)[C@H](O)C=O MCULE-5963868974 [0,0,0,0,0,0|1,0,3]=4 62 B8R0.2 O=C(O)C(O)C(O)CO MCULE-1397527919 [0,0,0,0,0,0|0,0,0]=0 63 B8R0.2 O=C(O)[C@H](O)[C@H](O)CO MCULE-1531474304 [0,0,0,0,0,0|0,0,0]=0 64 B8R0.2 O=C(O)[C@H](O)[C@H](O)CO MCULE-3829421433 [0,0,0,0,0,0|0,0,0]=0 65 B8R0.2 O=C([O-])C(O)C(O)CO MCULE-4453733473 [0,0,0,0,0,0|0,0,1]=1 66 B8R0.2 O=C([O-])[C@H](O)[C@H](O)CO MCULE-1044422592 [0,0,0,0,0,0|0,0,1]=1 67 B8R0.2 O=C([O-])[C@H](O)[C@H](O)CO MCULE-1805281668 [0,0,0,0,0,0|0,0,1]=1 68 B8R0.2 [C@H](C)(CC)[C@H](N)C(=O)N MCULE-1416545198 [0,0,0,0,0,0|4,0,0]=4 69 B8R0.2 [C@H](C)(CC)[C@H](N)C(=O)N MCULE-1950370478 [0,0,0,0,0,0|4,0,0]=4 70 B7R0.2 C#CC(C)CC(=O)O MCULE-8780802803 [1,0,0,0,0,0|2,0,1]=4 71 B7R0.2 C(O)(CN)CC(=O)O MCULE-8378388788 [1,0,0,0,0,0|1,0,0]=2 72 B7R0.2 C=C(C)CC(N)CO MCULE-9114906744 [1,0,0,0,0,0|3,0,0]=4 73 B7R0.2 C=CC(C)CC(=O)O MCULE-4817084034 [1,0,0,0,0,0|2,0,1]=4 74 B7R0.2 C=CC(N)CC(=O)O MCULE-1733618438 [1,0,0,0,0,0|2,0,1]=4 75 B7R0.2 C=CC(N)CC(=O)O MCULE-9636299966 [1,0,0,0,0,0|2,0,1]=4 76 B7R0.2 C=CC(O)CC(=O)O MCULE-2383393271 [1,0,0,0,0,0|1,0,1]=3 77 B7R0.2 CC(=O)NC(C)CO MCULE-9455210462 [1,0,0,0,0,0|3,0,0]=4 78 B7R0.2 CC(=O)N[C@H](C)CO MCULE-2174899443 [1,0,0,0,0,0|3,0,0]=4 79 B7R0.2 CC(=O)N[C@H](C)CO MCULE-5097293473 [1,0,0,0,0,0|3,0,0]=4 80 B7R0.2 CC(CC(=O)O)NN MCULE-2614719429 [1,0,0,0,0,0|3,0,0]=4 81 B7R0.2 CC(CC(=O)O)NN MCULE-2739806820 [1,0,0,0,0,0|3,0,0]=4 82 B7R0.2 CC(CCl)CC(=O)Cl MCULE-3163826919 [1,0,0,0,0,0|3,0,0]=4 83 B7R0.2 CC(CN)CC(=O)O MCULE-1594242184 [1,0,0,0,0,0|2,0,0]=3 84 B7R0.2 CC(CN)CC(=O)O MCULE-8074816359 [1,0,0,0,0,0|2,0,0]=3 85 B7R0.2 CCC(=O)CC(=O)O MCULE-1083768149 [1,0,0,0,0,0|1,0,2]=4 86 B7R0.2 CCC(C)CC(=O)C MCULE-5801548800 [1,0,0,0,0,0|3,0,0]=4 87 B7R0.2 CCC(C)CC(=O)Cl MCULE-3063561496 [1,0,0,0,0,0|3,0,0]=4 88 B7R0.2 CCC(C)CC(=O)O MCULE-3409782202 [1,0,0,0,0,0|2,0,0]=3 89 B7R0.2 CCC(C)CC(=O)O MCULE-6537278030 [1,0,0,0,0,0|2,0,0]=3 90 B7R0.2 CCC(N)CC(=O)O MCULE-1744910444 [1,0,0,0,0,0|2,0,0]=3 91 B7R0.2 CCC(N)CC(=O)O MCULE-5610499925 [1,0,0,0,0,0|2,0,0]=3 92 B7R0.2 CCC(O)CC(=O)C MCULE-1222748729 [1,0,0,0,0,0|2,0,0]=3 93 B7R0.2 CCC(O)CC(=O)O MCULE-4663578527 [1,0,0,0,0,0|1,0,0]=2 94 B7R0.2 CCC(O)CC(C)O MCULE-3115543235 [1,0,0,0,0,0|2,0,1]=4 95 B7R0.2 CCC(O)CN(=O)=O MCULE-6965491054 [1,0,0,0,0,0|2,0,1]=4 96 B7R0.2 CCN(C)CC(=O)O MCULE-3102395413 [1,0,0,0,0,0|3,0,0]=4 97 B7R0.2 CCS(=O)CC(=O)O MCULE-5648298475 [1,0,0,0,0,0|2,0,1]=4 98 B7R0.2 CC[C@@H](C)CC(=O)O MCULE-5550070887 [1,0,0,0,0,0|2,0,0]=3 99 B7R0.2 CC[C@@H](C)CC(=O)O MCULE-9572363620 [1,0,0,0,0,0|2,0,0]=3 100 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-1158271004 [1,0,0,0,0,0|2,0,0]=3 101 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-2354820947 [1,0,0,0,0,0|2,0,0]=3 102 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-4284161835 [1,0,0,0,0,0|2,0,0]=3 103 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-9523089766 [1,0,0,0,0,0|2,0,0]=3 104 B7R0.2 CC[C@H](C)CC(=O)O MCULE-4177365854 [1,0,0,0,0,0|2,0,0]=3 105 B7R0.2 CC[C@H](C)CC(=O)O MCULE-5173108207 [1,0,0,0,0,0|2,0,0]=3 106 B7R0.2 CC[C@H](N)CC(=O)O MCULE-1463536674 [1,0,0,0,0,0|2,0,0]=3 107 B7R0.2 CC[C@H](N)CC(=O)O MCULE-2865599647 [1,0,0,0,0,0|2,0,0]=3 108 B7R0.2 CC[C@H](N)CC(=O)O MCULE-4506847599 [1,0,0,0,0,0|2,0,0]=3 109 B7R0.2 CC[C@H](N)CC(=O)O MCULE-4819674539 [1,0,0,0,0,0|2,0,0]=3 110 B7R0.2 CN(C)CC(O)CO MCULE-3436894516 [1,0,0,0,0,0|3,0,0]=4 111 B7R0.2 CN(C)C[C@@H](O)CO MCULE-7101033572 [1,0,0,0,0,0|3,0,0]=4 112 B7R0.2 CN(C)C[C@H](O)CO MCULE-4297947949 [1,0,0,0,0,0|3,0,0]=4 113 B7R0.2 CNC(C)CC(=O)O MCULE-6592893730 [1,0,0,0,0,0|3,0,0]=4 114 B7R0.2 CNC(C)CC(=O)O MCULE-7655437452 [1,0,0,0,0,0|3,0,0]=4 115 B7R0.2 COC(C)CC(=O)O MCULE-7063015720 [1,0,0,0,0,0|3,0,0]=4 116 B7R0.2 CSC(C)CC(=O)O MCULE-7827833531 [1,0,0,0,0,0|3,0,0]=4 117 B7R0.2 C[C@H](CN)CC(=O)O MCULE-4808630217 [1,0,0,0,0,0|2,0,0]=3 118 B7R0.2 C[C@H](CN)CC(=O)O MCULE-5474405940 [1,0,0,0,0,0|2,0,0]=3 119 B7R0.2 N/C(=N/O)/CC(=O)O MCULE-5236282846 [1,0,0,0,0,0|2,0,1]=4 120 B7R0.2 NC(CO)CC(=O)O MCULE-4749383822 [1,0,0,0,0,0|1,0,0]=2 121 B7R0.2 NC(CO)CC(=O)O MCULE-7973334774 [1,0,0,0,0,0|1,0,0]=2 122 B7R0.2 NC(CO)CC(=O)O MCULE-8406665261 [1,0,0,0,0,0|1,0,0]=2 123 B7R0.2 NCC(N)CC(=O)O MCULE-5523883615 [1,0,0,0,0,0|2,0,0]=3 124 B7R0.2 NCC(N)CC(=O)O MCULE-7594259237 [1,0,0,0,0,0|2,0,0]=3 125 B7R0.2 NCC(O)CC(=O)O MCULE-9221352157 [1,0,0,0,0,0|1,0,0]=2 126 B7R0.2 NC[C@@H](F)CP(=O)O MCULE-6916648546 [1,0,0,0,0,0|3,0,0]=4 127 B7R0.2 NC[C@@H](F)CP(=O)O MCULE-8505911927 [1,0,0,0,0,0|3,0,0]=4 128 B7R0.2 NC[C@@H](N)CC(=O)O MCULE-6348974465 [1,0,0,0,0,0|2,0,0]=3 129 B7R0.2 NC[C@@H](N)CC(=O)O MCULE-9397628218 [1,0,0,0,0,0|2,0,0]=3 130 B7R0.2 NC[C@@H](O)CC(=O)O MCULE-2174350055 [1,0,0,0,0,0|1,0,0]=2 131 B7R0.2 NC[C@@H](O)CC(=O)O MCULE-8177708130 [1,0,0,0,0,0|1,0,0]=2 132 B7R0.2 NC[C@H](N)CC(=O)O MCULE-6133569516 [1,0,0,0,0,0|2,0,0]=3 133 B7R0.2 NC[C@H](N)CC(=O)O MCULE-7098533469 [1,0,0,0,0,0|2,0,0]=3 134 B7R0.2 NC[C@H](O)CC(=O)O MCULE-6634973995 [1,0,0,0,0,0|1,0,0]=2 135 B7R0.2 NC[C@H](O)CC(=O)O MCULE-8055679819 [1,0,0,0,0,0|1,0,0]=2 136 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-1773927420 [1,0,0,0,0,0|1,0,0]=2 137 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-2797951743 [1,0,0,0,0,0|1,0,0]=2 138 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-3839766977 [1,0,0,0,0,0|1,0,0]=2 139 B7R0.2 N[C@H](CO)CC(=O)O MCULE-4130106630 [1,0,0,0,0,0|1,0,0]=2 140 B7R0.2 O=C(O)CC(=O)CCl MCULE-9671015150 [1,0,0,0,0,0|1,0,2]=4 141 B7R0.2 O=C(O)CC(=O)CO MCULE-2224143705 [1,0,0,0,0,0|0,0,2]=3 142 B7R0.2 O=C(O)CC(O)CO MCULE-2851149196 [1,0,0,0,0,0|0,0,0]=1 143 B7R0.2 O=C(O)C[C@H](O)CO MCULE-5671818548 [1,0,0,0,0,0|0,0,0]=1 144 B7R0.2 O=C([O-])CC(O)CO MCULE-5202762172 [1,0,0,0,0,0|0,0,1]=2 145 B7R0.2 O=C([O-])CC(O)CO MCULE-6219855770 [1,0,0,0,0,0|0,0,1]=2 146 B7R0.2 O=CN(O)CC(=O)O MCULE-7408790227 [1,0,0,0,0,0|1,0,2]=4 147 B7R0.2 [C@@H](F)(CN)CP(=O)O MCULE-9369150023 [1,0,0,0,0,0|3,0,0]=4 148 B7R0.2 [NH3+][C@H](CO)CC(=O)[O-] MCULE-5131942851 [1,0,0,0,0,0|1,0,1]=3 149 B7R0.5 C#CCC(C)C(=O)O MCULE-4819055703 [1,0,0,0,0,0|2,0,1]=4 150 B7R0.5 C#CCC(F)C(=O)O MCULE-1070671235 [1,0,0,0,0,0|2,0,1]=4 151 B7R0.5 C#CCC(N)C(=O)O MCULE-2022398365 [1,0,0,0,0,0|2,0,1]=4 152 B7R0.5 C#CCC(N)C(=O)O MCULE-2451098139 [1,0,0,0,0,0|2,0,1]=4 153 B7R0.5 C#CCC(N)C(=O)O MCULE-4330300997 [1,0,0,0,0,0|2,0,1]=4 154 B7R0.5 C#CCC(N)C(=O)O MCULE-5100293043 [1,0,0,0,0,0|2,0,1]=4 155 B7R0.5 C#CCC(O)C(=O)O MCULE-4988425198 [1,0,0,0,0,0|1,0,1]=3 156 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-1266511504 [1,0,0,0,0,0|2,0,1]=4 157 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-2589808316 [1,0,0,0,0,0|2,0,1]=4 158 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-4703021434 [1,0,0,0,0,0|2,0,1]=4 159 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-5616417783 [1,0,0,0,0,0|2,0,1]=4 160 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-1593368546 [1,0,0,0,0,0|2,0,1]=4 161 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-5683421535 [1,0,0,0,0,0|2,0,1]=4 162 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-7302855511 [1,0,0,0,0,0|2,0,1]=4 163 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-9256626051 [1,0,0,0,0,0|2,0,1]=4 164 B7R0.5 C=C(CCC)C(=O)O MCULE-5702167426 [1,0,0,0,0,0|2,0,1]=4 165 B7R0.5 C=C(CCO)C(=O)O MCULE-3336434079 [1,0,0,0,0,0|1,0,1]=3 166 B7R0.5 C=CCC(C)C(=O)O MCULE-2912410432 [1,0,0,0,0,0|2,0,1]=4 167 B7R0.5 C=CCC(N)C(=O)O MCULE-1550468430 [1,0,0,0,0,0|2,0,1]=4 168 B7R0.5 C=CCC(N)C(=O)O MCULE-1783682768 [1,0,0,0,0,0|2,0,1]=4 169 B7R0.5 C=CCC(N)C(=O)O MCULE-8721864064 [1,0,0,0,0,0|2,0,1]=4 170 B7R0.5 C=CCC(N)C(=O)O MCULE-9091562338 [1,0,0,0,0,0|2,0,1]=4 171 B7R0.5 C=CCC(O)C(=O)O MCULE-6418899544 [1,0,0,0,0,0|1,0,1]=3 172 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-3817126030 [1,0,0,0,0,0|2,0,1]=4 173 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-5479618260 [1,0,0,0,0,0|2,0,1]=4 174 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-6719393730 [1,0,0,0,0,0|2,0,1]=4 175 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-7577627870 [1,0,0,0,0,0|2,0,1]=4 176 B7R0.5 C=CC[C@@H](O)C(=O)O MCULE-4103471826 [1,0,0,0,0,0|1,0,1]=3 177 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-2073484196 [1,0,0,0,0,0|2,0,1]=4 178 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-3267648941 [1,0,0,0,0,0|2,0,1]=4 179 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-4183531139 [1,0,0,0,0,0|2,0,1]=4 180 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-8225762047 [1,0,0,0,0,0|2,0,1]=4 181 B7R0.5 C=CC[C@H](O)C(=O)O MCULE-8230827617 [1,0,0,0,0,0|1,0,1]=3 182 B7R0.5 CC(=O)C(C)CCBr MCULE-4705039689 [1,0,0,0,0,0|3,0,0]=4 183 B7R0.5 CC(=O)C(C)CCCl MCULE-2960091698 [1,0,0,0,0,0|3,0,0]=4 184 B7R0.5 CC(=O)C(C)CCO MCULE-3907160101 [1,0,0,0,0,0|2,0,0]=3 185 B7R0.5 CC(=O)C(Cl)CCCl MCULE-4634341484 [1,0,0,0,0,0|3,0,0]=4 186 B7R0.5 CC(=O)C(Cl)CCO MCULE-1606704903 [1,0,0,0,0,0|2,0,0]=3 187 B7R0.5 CC(=O)N(C)CCO MCULE-4135818139 [1,0,0,0,0,0|3,0,0]=4 188 B7R0.5 CC(C)C(O)CCO MCULE-8819967893 [1,0,0,0,0,0|2,0,1]=4 189 B7R0.5 CC(CCCl)C(=O)Cl MCULE-4844969943 [1,0,0,0,0,0|3,0,0]=4 190 B7R0.5 CC(CCN)C(=O)O MCULE-8098419324 [1,0,0,0,0,0|2,0,0]=3 191 B7R0.5 CC(CCN)C(=O)O MCULE-8509861009 [1,0,0,0,0,0|2,0,0]=3 192 B7R0.5 CC(CCO)C(=O)N MCULE-3037868887 [1,0,0,0,0,0|2,0,0]=3 193 B7R0.5 CC(CCO)C(=O)O MCULE-9724304469 [1,0,0,0,0,0|1,0,0]=2 194 B7R0.5 CC(CCO)C(=O)[O-] MCULE-2278638513 [1,0,0,0,0,0|1,0,1]=3 195 B7R0.5 CC=CC(O)C(=O)O MCULE-5249095255 [1,0,0,0,0,0|1,0,2]=4 196 B7R0.5 CCCC(=O)C(=O)O MCULE-5281491858 [1,0,0,0,0,0|1,0,2]=4 197 B7R0.5 CCCC(Br)C(=O)C MCULE-2062903416 [1,0,0,0,0,0|3,0,0]=4 198 B7R0.5 CCCC(Br)C(=O)O MCULE-4304229911 [1,0,0,0,0,0|2,0,0]=3 199 B7R0.5 CCCC(C)C(=O)C MCULE-5585795289 [1,0,0,0,0,0|3,0,0]=4 200 B7R0.5 CCCC(C)C(=O)Cl MCULE-4855016209 [1,0,0,0,0,0|3,0,0]=4 201 B7R0.5 CCCC(C)C(=O)N MCULE-1948746391 [1,0,0,0,0,0|3,0,0]=4 202 B7R0.5 CCCC(C)C(=O)O MCULE-7779384365 [1,0,0,0,0,0|2,0,0]=3 203 B7R0.5 CCCC(Cl)C(=O)O MCULE-1265367924 [1,0,0,0,0,0|2,0,0]=3 204 B7R0.5 CCCC(F)C(=O)O MCULE-5551678948 [1,0,0,0,0,0|2,0,0]=3 205 B7R0.5 CCCC(N)C(=O)N MCULE-5159221123 [1,0,0,0,0,0|3,0,0]=4 206 B7R0.5 CCCC(N)C(=O)N MCULE-5742773956 [1,0,0,0,0,0|3,0,0]=4 207 B7R0.5 CCCC(N)C(=O)O MCULE-1684743992 [1,0,0,0,0,0|2,0,0]=3 208 B7R0.5 CCCC(N)C(=O)O MCULE-5263067403 [1,0,0,0,0,0|2,0,0]=3 209 B7R0.5 CCCC(N)C(=O)O MCULE-7151907627 [1,0,0,0,0,0|2,0,0]=3 210 B7R0.5 CCCC(O)C(=O)N MCULE-3143432132 [1,0,0,0,0,0|2,0,0]=3 211 B7R0.5 CCCC(O)C(=O)O MCULE-8533446195 [1,0,0,0,0,0|1,0,0]=2 212 B7R0.5 CCCC(O)C(=O)O MCULE-9586449213 [1,0,0,0,0,0|1,0,0]=2 213 B7R0.5 CCC[C@@H](N)C(=O)O MCULE-1302378905 [1,0,0,0,0,0|2,0,0]=3 214 B7R0.5 CCC[C@@H](N)C(=O)O MCULE-5246507817 [1,0,0,0,0,0|2,0,0]=3 215 B7R0.5 CCC[C@@H](O)C(=O)O MCULE-2742119346 [1,0,0,0,0,0|1,0,0]=2 216 B7R0.5 CCC[C@H](Br)C(=O)O MCULE-3070253588 [1,0,0,0,0,0|2,0,0]=3 217 B7R0.5 CCC[C@H](N)C(=O)N MCULE-2163059771 [1,0,0,0,0,0|3,0,0]=4 218 B7R0.5 CCC[C@H](N)C(=O)N MCULE-4687172013 [1,0,0,0,0,0|3,0,0]=4 219 B7R0.5 CCC[C@H](N)C(=O)N MCULE-7482592029 [1,0,0,0,0,0|3,0,0]=4 220 B7R0.5 CCC[C@H](N)C(=O)N MCULE-9639796243 [1,0,0,0,0,0|3,0,0]=4 221 B7R0.5 CCC[C@H](N)C(=O)O MCULE-2890516597 [1,0,0,0,0,0|2,0,0]=3 222 B7R0.5 CCC[C@H](N)C(=O)O MCULE-4690406880 [1,0,0,0,0,0|2,0,0]=3 223 B7R0.5 CCC[C@H](N)C(=O)O MCULE-9323049450 [1,0,0,0,0,0|2,0,0]=3 224 B7R0.5 CCC[C@H](O)C(=O)O MCULE-6533548138 [1,0,0,0,0,0|1,0,0]=2 225 B7R0.5 CCC[C@H](O)C(=O)O MCULE-8321722254 [1,0,0,0,0,0|1,0,0]=2 226 B7R0.5 CCNC(C)C(=O)O MCULE-5445574810 [1,0,0,0,0,0|3,0,0]=4 227 B7R0.5 CCNC(C)C(=O)O MCULE-5666785247 [1,0,0,0,0,0|3,0,0]=4 228 B7R0.5 CCN[C@H](C)C(=O)O MCULE-9676358201 [1,0,0,0,0,0|3,0,0]=4 229 B7R0.5 CCOC(C)C(=O)O MCULE-2185795311 [1,0,0,0,0,0|3,0,0]=4 230 B7R0.5 CCSC(C)C(=O)O MCULE-9817243573 [1,0,0,0,0,0|3,0,0]=4 231 B7R0.5 CNCC(C)C(=O)O MCULE-4255373615 [1,0,0,0,0,0|3,0,0]=4 232 B7R0.5 CNCC(C)C(=O)O MCULE-8076489545 [1,0,0,0,0,0|3,0,0]=4 233 B7R0.5 CNCC(N)C(=O)O MCULE-4360775406 [1,0,0,0,0,0|3,0,0]=4 234 B7R0.5 CNCC(N)C(=O)O MCULE-4913403405 [1,0,0,0,0,0|3,0,0]=4 235 B7R0.5 CNC[C@H](N)C(=O)O MCULE-3465445123 [1,0,0,0,0,0|3,0,0]=4 236 B7R0.5 CNC[C@H](N)C(=O)O MCULE-7309489523 [1,0,0,0,0,0|3,0,0]=4 237 B7R0.5 CNC[C@H](N)C(=O)O MCULE-8418254346 [1,0,0,0,0,0|3,0,0]=4 238 B7R0.5 CNC[C@H](N)C(=O)O MCULE-8752314299 [1,0,0,0,0,0|3,0,0]=4 239 B7R0.5 COCC(Br)C(=O)O MCULE-2977381282 [1,0,0,0,0,0|3,0,0]=4 240 B7R0.5 COCC(C)C(=O)O MCULE-9776415948 [1,0,0,0,0,0|3,0,0]=4 241 B7R0.5 COCC(Cl)C(=O)O MCULE-1439107016 [1,0,0,0,0,0|3,0,0]=4 242 B7R0.5 COCC(N)C(=O)O MCULE-4336440568 [1,0,0,0,0,0|3,0,0]=4 243 B7R0.5 COCC(N)C(=O)O MCULE-4899043582 [1,0,0,0,0,0|3,0,0]=4 244 B7R0.5 COCC(N)C(=O)O MCULE-6964823693 [1,0,0,0,0,0|3,0,0]=4 245 B7R0.5 COCC(N)C(=O)O MCULE-7037870255 [1,0,0,0,0,0|3,0,0]=4 246 B7R0.5 COCC(O)C(=O)O MCULE-3185498869 [1,0,0,0,0,0|2,0,0]=3 247 B7R0.5 COC[C@@H](N)C(=O)O MCULE-1827086666 [1,0,0,0,0,0|3,0,0]=4 248 B7R0.5 COC[C@@H](N)C(=O)O MCULE-4868456769 [1,0,0,0,0,0|3,0,0]=4 249 B7R0.5 COC[C@@H](N)C(=O)O MCULE-5275247485 [1,0,0,0,0,0|3,0,0]=4 250 B7R0.5 COC[C@@H](N)C(=O)O MCULE-7339751251 [1,0,0,0,0,0|3,0,0]=4 251 B7R0.5 COC[C@H](N)C(=O)O MCULE-3719679803 [1,0,0,0,0,0|3,0,0]=4 252 B7R0.5 COC[C@H](N)C(=O)O MCULE-4874807874 [1,0,0,0,0,0|3,0,0]=4 253 B7R0.5 COC[C@H](N)C(=O)O MCULE-5303156917 [1,0,0,0,0,0|3,0,0]=4 254 B7R0.5 COC[C@H](N)C(=O)O MCULE-8138564560 [1,0,0,0,0,0|3,0,0]=4 255 B7R0.5 CSCC(C)C(=O)O MCULE-7112130175 [1,0,0,0,0,0|3,0,0]=4 256 B7R0.5 CSCC(N)C(=O)O MCULE-7668628251 [1,0,0,0,0,0|3,0,0]=4 257 B7R0.5 CSC[C@H](N)C(=O)O MCULE-1178337776 [1,0,0,0,0,0|3,0,0]=4 258 B7R0.5 CSC[C@H](N)C(=O)O MCULE-2769761337 [1,0,0,0,0,0|3,0,0]=4 259 B7R0.5 C[C@@H](CCS)C(=O)O MCULE-2918304262 [1,0,0,0,0,0|1,1,0]=3 260 B7R0.5 C[Se]CC(N)C(=O)O MCULE-3357465269 [1,0,0,0,0,0|3,0,0]=4 261 B7R0.5 C[Se]CC(N)C(=O)O MCULE-7671606756 [1,0,0,0,0,0|3,0,0]=4 262 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-5208306365 [1,0,0,0,0,0|3,0,0]=4 263 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-6734478742 [1,0,0,0,0,0|3,0,0]=4 264 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-6760615750 [1,0,0,0,0,0|3,0,0]=4 265 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-7512025617 [1,0,0,0,0,0|3,0,0]=4 266 B7R0.5 N#CCC(N)C(=O)O MCULE-4929926467 [1,0,0,0,0,0|2,0,1]=4 267 B7R0.5 N#CC[C@H](N)C(=O)O MCULE-6294926701 [1,0,0,0,0,0|2,0,1]=4 268 B7R0.5 N#CC[C@H](N)C(=O)O MCULE-6432920316 [1,0,0,0,0,0|2,0,1]=4 269 B7R0.5 NC(=O)C(Br)CCBr MCULE-5008510444 [1,0,0,0,0,0|3,0,0]=4 270 B7R0.5 NC(CCBr)C(=O)O MCULE-1900559475 [1,0,0,0,0,0|2,0,0]=3 271 B7R0.5 NC(CCBr)C(=O)O MCULE-7293320576 [1,0,0,0,0,0|2,0,0]=3 272 B7R0.5 NC(CCF)C(=O)O MCULE-5519595590 [1,0,0,0,0,0|2,0,0]=3 273 B7R0.5 NC(CCF)C(=O)O MCULE-7293194855 [1,0,0,0,0,0|2,0,0]=3 274 B7R0.5 NC(CCO)C(=O)O MCULE-1744838687 [1,0,0,0,0,0|1,0,0]=2 275 B7R0.5 NC(CCO)C(=O)O MCULE-9642233758 [1,0,0,0,0,0|1,0,0]=2 276 B7R0.5 NC(CCS)C(=O)O MCULE-8057550187 [1,0,0,0,0,0|1,1,0]=3 277 B7R0.5 NC(CCS)C(=O)O MCULE-8117596001 [1,0,0,0,0,0|1,1,0]=3 278 B7R0.5 NC(CNO)C(=O)O MCULE-2332662988 [1,0,0,0,0,0|2,0,0]=3 279 B7R0.5 NCCC(F)C(=O)O MCULE-5068755002 [1,0,0,0,0,0|2,0,0]=3 280 B7R0.5 NCCC(F)C(=O)O MCULE-9196695600 [1,0,0,0,0,0|2,0,0]=3 281 B7R0.5 NCCC(N)C(=O)O MCULE-1239764966 [1,0,0,0,0,0|2,0,0]=3 282 B7R0.5 NCCC(N)C(=O)O MCULE-2441123923 [1,0,0,0,0,0|2,0,0]=3 283 B7R0.5 NCCC(N)C(=O)O MCULE-3966593369 [1,0,0,0,0,0|2,0,0]=3 284 B7R0.5 NCCC(N)C(=O)O MCULE-4212078130 [1,0,0,0,0,0|2,0,0]=3 285 B7R0.5 NCCC(N)C(=O)O MCULE-7713366571 [1,0,0,0,0,0|2,0,0]=3 286 B7R0.5 NCCC(N)C(=O)O MCULE-8402131049 [1,0,0,0,0,0|2,0,0]=3 287 B7R0.5 NCCC(N)C(=O)O MCULE-9198187552 [1,0,0,0,0,0|2,0,0]=3 288 B7R0.5 NCCC(O)C(=O)O MCULE-3670080484 [1,0,0,0,0,0|1,0,0]=2 289 B7R0.5 NCCC(O)C(=O)O MCULE-6540935279 [1,0,0,0,0,0|1,0,0]=2 290 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-4000770618 [1,0,0,0,0,0|2,0,0]=3 291 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-5775312784 [1,0,0,0,0,0|2,0,0]=3 292 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-6259961704 [1,0,0,0,0,0|2,0,0]=3 293 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-9871958374 [1,0,0,0,0,0|2,0,0]=3 294 B7R0.5 NCC[C@@H](O)C(=O)O MCULE-9726912888 [1,0,0,0,0,0|1,0,0]=2 295 B7R0.5 NCC[C@H](N)C(=O)O MCULE-1745978456 [1,0,0,0,0,0|2,0,0]=3 296 B7R0.5 NCC[C@H](N)C(=O)O MCULE-3856066353 [1,0,0,0,0,0|2,0,0]=3 297 B7R0.5 NCC[C@H](N)C(=O)O MCULE-3919721317 [1,0,0,0,0,0|2,0,0]=3 298 B7R0.5 NCC[C@H](N)C(=O)O MCULE-5434373726 [1,0,0,0,0,0|2,0,0]=3 299 B7R0.5 NCC[C@H](N)C(=O)O MCULE-5992578597 [1,0,0,0,0,0|2,0,0]=3 300 B7R0.5 NCC[C@H](N)C(=O)O MCULE-6536533546 [1,0,0,0,0,0|2,0,0]=3 301 B7R0.5 NCC[C@H](N)C(=O)O MCULE-6978035806 [1,0,0,0,0,0|2,0,0]=3 302 B7R0.5 NCC[C@H](N)C(=O)O MCULE-8762011291 [1,0,0,0,0,0|2,0,0]=3 303 B7R0.5 NCC[C@H](N)C(=O)O MCULE-9645608127 [1,0,0,0,0,0|2,0,0]=3 304 B7R0.5 NCC[C@H](O)C(=O)O MCULE-3296998083 [1,0,0,0,0,0|1,0,0]=2 305 B7R0.5 NCC[C@H](O)C(=O)O MCULE-7901866019 [1,0,0,0,0,0|1,0,0]=2 306 B7R0.5 NOC[C@H](N)C(=O)O MCULE-1050292176 [1,0,0,0,0,0|3,0,0]=4 307 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-2388269464 [1,0,0,0,0,0|2,0,0]=3 308 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-2456796412 [1,0,0,0,0,0|2,0,0]=3 309 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-6229782603 [1,0,0,0,0,0|2,0,0]=3 310 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-8123446168 [1,0,0,0,0,0|2,0,0]=3 311 B7R0.5 N[C@@H](CCO)C(=O)O MCULE-2370353784 [1,0,0,0,0,0|1,0,0]=2 312 B7R0.5 N[C@@H](CCO)C(=O)O MCULE-4861747928 [1,0,0,0,0,0|1,0,0]=2 313 B7R0.5 N[C@@H](CCS)C(=O)O MCULE-4021115723 [1,0,0,0,0,0|1,1,0]=3 314 B7R0.5 N[C@@H](CCS)C(=O)O MCULE-7661321953 [1,0,0,0,0,0|1,1,0]=3 315 B7R0.5 N[C@@H](CSS)C(=O)O MCULE-3029500977 [1,0,0,0,0,0|2,1,0]=4 316 B7R0.5 N[C@H](CCBr)C(=O)O MCULE-1975650690 [1,0,0,0,0,0|2,0,0]=3 317 B7R0.5 N[C@H](CCBr)C(=O)O MCULE-7245104465 [1,0,0,0,0,0|2,0,0]=3 318 B7R0.5 N[C@H](CCO)C(=O)O MCULE-8005652100 [1,0,0,0,0,0|1,0,0]=2 319 B7R0.5 N[C@H](CCO)C(=O)O MCULE-8613625039 [1,0,0,0,0,0|1,0,0]=2 320 B7R0.5 N[C@H](CCS)C(=O)O MCULE-1110046008 [1,0,0,0,0,0|1,1,0]=3 321 B7R0.5 N[C@H](CCS)C(=O)O MCULE-7556963357 [1,0,0,0,0,0|1,1,0]=3 322 B7R0.5 O=C(Br)C(Br)CCBr MCULE-1496301616 [1,0,0,0,0,0|3,0,0]=4 323 B7R0.5 O=C(Cl)C(Br)CCBr MCULE-9787639147 [1,0,0,0,0,0|3,0,0]=4 324 B7R0.5 O=C(Cl)C(Br)CCCl MCULE-6400872582 [1,0,0,0,0,0|3,0,0]=4 325 B7R0.5 O=C(O)C(Br)CCBr MCULE-3091819269 [1,0,0,0,0,0|2,0,0]=3 326 B7R0.5 O=C(O)C(O)CCO MCULE-9096271794 [1,0,0,0,0,0|0,0,0]=1 327 B7R0.5 [C@H](N)(CC#C)C(=O)O MCULE-7308061694 [1,0,0,0,0,0|2,0,1]=4 328 B7R0.10 C=CC(O)C(O)C=C MCULE-2505322919 [1,0,0,0,0,0|2,0,1]=4 329 B7R0.10 CCC(C)C(O)CO MCULE-9999862073 [1,0,0,0,0,0|2,0,1]=4 330 B7R0.10 CCC(O)C(C)CO MCULE-3930931405 [1,0,0,0,0,0|2,0,1]=4 331 B7R0.10 CCC(O)C(C)CO MCULE-4472852672 [1,0,0,0,0,0|2,0,1]=4 332 B7R0.10 NC[C@H](O)[C@H](O)CN MCULE-1073397630 [1,0,0,0,0,0|2,0,1]=4 333 B7R0.10 NC[C@H](O)[C@H](O)CN MCULE-8068595970 [1,0,0,0,0,0|2,0,1]=4 334 B7R0.10 N[C@@H](CO)[C@@H](N)CO MCULE-2394488011 [1,0,0,0,0,0|2,0,1]=4 335 B7R0.10 O=C(CO)C(O)CO MCULE-9818197491 [1,0,0,0,0,0|0,0,3]=4 336 B7R0.10 O=C(CO)[C@@H](O)CO MCULE-8306776225 [1,0,0,0,0,0|0,0,3]=4 337 B7R0.10 O=C(CO)[C@@H](O)CO MCULE-8666498937 [1,0,0,0,0,0|0,0,3]=4 338 B7R0.10 O=C(CO)[C@H](O)CO MCULE-7828531161 [1,0,0,0,0,0|0,0,3]=4 339 B7R0.10 O=CC(O)C(O)C=O MCULE-3439629952 [1,0,0,0,0,0|0,0,2]=3 340 B7R0.10 O=CC(O)C(O)CO MCULE-9564469242 [1,0,0,0,0,0|0,0,0]=1 341 B7R0.10 O=C[C@@H](O)[C@@H](O)CO MCULE-3532911413 [1,0,0,0,0,0|0,0,0]=1 342 B7R0.10 O=C[C@@H](O)[C@@H](O)CO MCULE-5707669784 [1,0,0,0,0,0|0,0,0]=1 343 B7R0.10 O=C[C@@H](O)[C@H](O)CO MCULE-4902023669 [1,0,0,0,0,0|0,0,0]=1 344 B7R0.10 O=C[C@H](O)[C@@H](O)CO MCULE-5975565699 [1,0,0,0,0,0|0,0,0]=1 345 B7R0.10 O=C[C@H](O)[C@H](O)CO MCULE-3036594515 [1,0,0,0,0,0|0,0,0]=1 346 B7R0.10 O=C[C@H](O)[C@H](O)CO MCULE-5412566780 [1,0,0,0,0,0|0,0,0]=1 347 B7R0.10 OC(CBr)C(O)CBr MCULE-4608370293 [1,0,0,0,0,0|2,0,1]=4 348 B7R0.10 OC(CCl)C(O)CCl MCULE-9282587936 [1,0,0,0,0,0|2,0,1]=4 349 B7R0.10 OC(CS)C(O)CS MCULE-7432075835 [1,0,0,0,0,0|0,2,1]=4 350 B7R0.10 OCC(Br)C(Br)CO MCULE-4593943249 [1,0,0,0,0,0|2,0,1]=4 351 B7R0.10 OCC(O)C(O)CO MCULE-9009953851 [1,0,0,0,0,0|0,0,1]=2 352 B7R0.10 OC[C@@H](Br)[C@H](Br)CO MCULE-7293448690 [1,0,0,0,0,0|2,0,1]=4 353 B7R0.10 OC[C@@H](O)[C@H](O)CO MCULE-1593828237 [1,0,0,0,0,0|0,0,1]=2 354 B7R0.10 OC[C@@H](O)[C@H](O)CO MCULE-7577661973 [1,0,0,0,0,0|0,0,1]=2 355 B7R0.10 OC[C@@H](O)[C@H](S)CS MCULE-1423721945 [1,0,0,0,0,0|0,2,1]=4 356 B7R0.10 OC[C@H](O)[C@@H](O)CO MCULE-7306394407 [1,0,0,0,0,0|0,0,1]=2 357 B7R0.10 OC[C@H](O)[C@@H](O)CO MCULE-8013265935 [1,0,0,0,0,0|0,0,1]=2 358 B7R0.10 OC[C@H](O)[C@H](O)CO MCULE-6886999157 [1,0,0,0,0,0|0,0,1]=2 359 B7R0.10 O[C@@H](CS)[C@@H](O)CS MCULE-6947486648 [1,0,0,0,0,0|0,2,1]=4 360 B7R0.10 O[C@@H](CS)[C@@H](O)CS MCULE-8883019394 [1,0,0,0,0,0|0,2,1]=4 361 B7R0.10 O[C@H](CBr)[C@H](O)CBr MCULE-5914686116 [1,0,0,0,0,0|2,0,1]=4 362 B7R0.10 O[C@H](CCl)[C@@H](O)CCl MCULE-8266433235 [1,0,0,0,0,0|2,0,1]=4 363 B7R0.10 O[C@H](CS)[C@@H](O)CS MCULE-3618084743 [1,0,0,0,0,0|0,2,1]=4 364 B7R0.10 O[C@H](CS)[C@H](O)CS MCULE-3329450277 [1,0,0,0,0,0|0,2,1]=4 365 B7R0.10 O[C@H](CS)[C@H](O)CS MCULE-9065556670 [1,0,0,0,0,0|0,2,1]=4 366 B7R0.10 O[C@H](CS)[C@H](O)CS MCULE-9666091728 [1,0,0,0,0,0|0,2,1]=4 367 B7R0.16 C=C(C(=O)O)C(C)C MCULE-6667026437 [1,0,0,0,0,0|2,0,1]=4 368 B7R0.16 C=C(C)C(N)C(=O)O MCULE-1815568719 [1,0,0,0,0,0|2,0,1]=4 369 B7R0.16 C=C(C)C(N)C(=O)O MCULE-2839869274 [1,0,0,0,0,0|2,0,1]=4 370 B7R0.16 C=C(C)C(N)C(=O)O MCULE-5015326828 [1,0,0,0,0,0|2,0,1]=4 371 B7R0.16 C=C(C)C(N)C(=O)O MCULE-5043630144 [1,0,0,0,0,0|2,0,1]=4 372 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-2007035571 [1,0,0,0,0,0|2,0,1]=4 373 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-6240689602 [1,0,0,0,0,0|2,0,1]=4 374 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-8025014656 [1,0,0,0,0,0|2,0,1]=4 375 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-9704891439 [1,0,0,0,0,0|2,0,1]=4 376 B7R0.16 CC(=O)C(Br)C(C)C MCULE-2864707278 [1,0,0,0,0,0|3,0,0]=4 377 B7R0.16 CC(=O)C(Cl)C(C)C MCULE-2825069638 [1,0,0,0,0,0|3,0,0]=4 378 B7R0.16 CC(Br)C(Br)C(=O)O MCULE-8605068480 [1,0,0,0,0,0|2,0,0]=3 379 B7R0.16 CC(Br)C(O)C(=O)O MCULE-8231714451 [1,0,0,0,0,0|1,0,0]=2 380 B7R0.16 CC(C(=O)O)C(=O)O MCULE-7232226851 [1,0,0,0,0,0|1,0,2]=4 381 B7R0.16 CC(C(=O)O)N(C)C MCULE-2658921782 [1,0,0,0,0,0|3,0,0]=4 382 B7R0.16 CC(C(=O)O)N(C)C MCULE-4457336101 [1,0,0,0,0,0|3,0,0]=4 383 B7R0.16 CC(C(=O)O)N(C)N MCULE-1182323460 [1,0,0,0,0,0|3,0,0]=4 384 B7R0.16 CC(C)C(=O)C(=O)O MCULE-9877767821 [1,0,0,0,0,0|1,0,2]=4 385 B7R0.16 CC(C)C(Br)C(=O)Br MCULE-7135511419 [1,0,0,0,0,0|3,0,0]=4 386 B7R0.16 CC(C)C(Br)C(=O)Cl MCULE-7468132927 [1,0,0,0,0,0|3,0,0]=4 387 B7R0.16 CC(C)C(Br)C(=O)N MCULE-8059032804 [1,0,0,0,0,0|3,0,0]=4 388 B7R0.16 CC(C)C(Br)C(=O)O MCULE-7284929535 [1,0,0,0,0,0|2,0,0]=3 389 B7R0.16 CC(C)C(Br)C(=O)O MCULE-8100016953 [1,0,0,0,0,0|2,0,0]=3 390 B7R0.16 CC(C)C(C)C(=O)Cl MCULE-4466867108 [1,0,0,0,0,0|3,0,0]=4 391 B7R0.16 CC(C)C(C)C(=O)O MCULE-4998524686 [1,0,0,0,0,0|2,0,0]=3 392 B7R0.16 CC(C)C(Cl)C(=O)Cl MCULE-8764699774 [1,0,0,0,0,0|3,0,0]=4 393 B7R0.16 CC(C)C(Cl)C(=O)O MCULE-8634615546 [1,0,0,0,0,0|2,0,0]=3 394 B7R0.16 CC(C)C(F)C(=O)O MCULE-5644342535 [1,0,0,0,0,0|2,0,0]=3 395 B7R0.16 CC(C)C(N)C(=O)N MCULE-5793065876 [1,0,0,0,0,0|3,0,0]=4 396 B7R0.16 CC(C)C(N)C(=O)N MCULE-6836215171 [1,0,0,0,0,0|3,0,0]=4 397 B7R0.16 CC(C)C(N)C(=O)O MCULE-8140660263 [1,0,0,0,0,0|2,0,0]=3 398 B7R0.16 CC(C)C(N)C(=O)O MCULE-9199801639 [1,0,0,0,0,0|2,0,0]=3 399 B7R0.16 CC(C)C(O)C(=O)O MCULE-6517225229 [1,0,0,0,0,0|1,0,0]=2 400 B7R0.16 CC(C)C(O)C(=O)O MCULE-7748605101 [1,0,0,0,0,0|1,0,0]=2 401 B7R0.16 CC(C)[C@@H](Br)C(=O)O MCULE-2705531785 [1,0,0,0,0,0|2,0,0]=3 402 B7R0.16 CC(C)[C@@H](Br)C(=O)O MCULE-7570119486 [1,0,0,0,0,0|2,0,0]=3 403 B7R0.16 CC(C)[C@@H](N)C(=O)N MCULE-2330575489 [1,0,0,0,0,0|3,0,0]=4 404 B7R0.16 CC(C)[C@@H](N)C(=O)N MCULE-2653474443 [1,0,0,0,0,0|3,0,0]=4 405 B7R0.16 CC(C)[C@@H](N)C(=O)N MCULE-3449326352 [1,0,0,0,0,0|3,0,0]=4 406 B7R0.16 CC(C)[C@@H](N)C(=O)N MCULE-7409435805 [1,0,0,0,0,0|3,0,0]=4 407 B7R0.16 CC(C)[C@@H](N)C(=O)O MCULE-1338052740 [1,0,0,0,0,0|2,0,0]=3 408 B7R0.16 CC(C)[C@@H](N)C(=O)O MCULE-2459930572 [1,0,0,0,0,0|2,0,0]=3 409 B7R0.16 CC(C)[C@@H](O)C(=O)O MCULE-7719048521 [1,0,0,0,0,0|1,0,0]=2 410 B7R0.16 CC(C)[C@@H](O)C(=O)O MCULE-9864796653 [1,0,0,0,0,0|1,0,0]=2 411 B7R0.16 CC(C)[C@H](Br)C(=O)O MCULE-4863317096 [1,0,0,0,0,0|2,0,0]=3 412 B7R0.16 CC(C)[C@H](Br)C(=O)O MCULE-8695526864 [1,0,0,0,0,0|2,0,0]=3 413 B7R0.16 CC(C)[C@H](C)C(=O)O MCULE-4413397700 [1,0,0,0,0,0|2,0,0]=3 414 B7R0.16 CC(C)[C@H](C)C(=O)O MCULE-6269612306 [1,0,0,0,0,0|2,0,0]=3 415 B7R0.16 CC(C)[C@H](Cl)C(=O)O MCULE-8084934210 [1,0,0,0,0,0|2,0,0]=3 416 B7R0.16 CC(C)[C@H](Cl)C(=O)O MCULE-8307595659 [1,0,0,0,0,0|2,0,0]=3 417 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-1415573194 [1,0,0,0,0,0|3,0,0]=4 418 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-2742126302 [1,0,0,0,0,0|3,0,0]=4 419 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-3124084676 [1,0,0,0,0,0|3,0,0]=4 420 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-4854272542 [1,0,0,0,0,0|3,0,0]=4 421 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-7430998836 [1,0,0,0,0,0|3,0,0]=4 422 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-9899853579 [1,0,0,0,0,0|3,0,0]=4 423 B7R0.16 CC(C)[C@H](N)C(=O)O MCULE-2507309072 [1,0,0,0,0,0|2,0,0]=3 424 B7R0.16 CC(C)[C@H](N)C(=O)O MCULE-9143825935 [1,0,0,0,0,0|2,0,0]=3 425 B7R0.16 CC(C)[C@H](O)C(=O)O MCULE-1975771806 [1,0,0,0,0,0|1,0,0]=2 426 B7R0.16 CC(C)[C@H](O)C(=O)O MCULE-4070611738 [1,0,0,0,0,0|1,0,0]=2 427 B7R0.16 CC(F)C(N)C(=O)O MCULE-8810968604 [1,0,0,0,0,0|2,0,0]=3 428 B7R0.16 CC(N)C(C)C(=O)O MCULE-2921617741 [1,0,0,0,0,0|2,0,0]=3 429 B7R0.16 CC(N)C(C)C(=O)O MCULE-8511267926 [1,0,0,0,0,0|2,0,0]=3 430 B7R0.16 CC(N)C(O)C(=O)O MCULE-1086139043 [1,0,0,0,0,0|1,0,0]=2 431 B7R0.16 CC(N)C(O)C(=O)O MCULE-6405300346 [1,0,0,0,0,0|1,0,0]=2 432 B7R0.16 CC(O)C(C)C(=O)O MCULE-2499360516 [1,0,0,0,0,0|1,0,0]=2 433 B7R0.16 CC(O)C(C)N(=O)=O MCULE-8190257217 [1,0,0,0,0,0|2,0,1]=4 434 B7R0.16 CC(O)C(N)C(=O)N MCULE-1234785834 [1,0,0,0,0,0|2,0,0]=3 435 B7R0.16 CC(O)C(N)C(=O)N MCULE-5867306342 [1,0,0,0,0,0|2,0,0]=3 436 B7R0.16 CC(O)C(N)C(=O)O MCULE-1563595722 [1,0,0,0,0,0|1,0,0]=2 437 B7R0.16 CC(O)C(N)C(=O)O MCULE-5581920538 [1,0,0,0,0,0|1,0,0]=2 438 B7R0.16 C[C@@H](C(=O)O)N(C)C MCULE-1371350024 [1,0,0,0,0,0|3,0,0]=4 439 B7R0.16 C[C@@H](C(=O)O)N(C)C MCULE-2001661938 [1,0,0,0,0,0|3,0,0]=4 440 B7R0.16 C[C@@H](C(=O)O)N(C)C MCULE-6789128261 [1,0,0,0,0,0|3,0,0]=4 441 B7R0.16 C[C@@H](N)[C@@H](N)C(=O)O MCULE-5302456851 [1,0,0,0,0,0|2,0,0]=3 442 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-1663687439 [1,0,0,0,0,0|1,0,0]=2 443 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-3863591433 [1,0,0,0,0,0|1,0,0]=2 444 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-8080019797 [1,0,0,0,0,0|1,0,0]=2 445 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-9284411012 [1,0,0,0,0,0|1,0,0]=2 446 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-1969228933 [1,0,0,0,0,0|2,0,0]=3 447 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-3285041526 [1,0,0,0,0,0|2,0,0]=3 448 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-5018319528 [1,0,0,0,0,0|2,0,0]=3 449 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-6080625355 [1,0,0,0,0,0|2,0,0]=3 450 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-9393787536 [1,0,0,0,0,0|2,0,0]=3 451 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-9925689829 [1,0,0,0,0,0|2,0,0]=3 452 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-2430667007 [1,0,0,0,0,0|1,0,0]=2 453 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-2676185993 [1,0,0,0,0,0|1,0,0]=2 454 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-5254477364 [1,0,0,0,0,0|1,0,0]=2 455 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-5505393195 [1,0,0,0,0,0|1,0,0]=2 456 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-7379719940 [1,0,0,0,0,0|1,0,0]=2 457 B7R0.16 C[C@@H](O)[C@H](O)C(=O)O MCULE-9383777855 [1,0,0,0,0,0|0,0,0]=1 458 B7R0.16 C[C@H](C(=O)O)N(C)C MCULE-2210848569 [1,0,0,0,0,0|3,0,0]=4 459 B7R0.16 C[C@H](C(=O)O)N(C)C MCULE-5148086527 [1,0,0,0,0,0|3,0,0]=4 460 B7R0.16 C[C@H](C(=O)O)[C@@H](C)N MCULE-2245171795 [1,0,0,0,0,0|2,0,0]=3 461 B7R0.16 C[C@H](C(=O)O)[C@@H](C)N MCULE-2727261050 [1,0,0,0,0,0|2,0,0]=3 462 B7R0.16 C[C@H](C(=O)O)[C@@H](C)O MCULE-8875933839 [1,0,0,0,0,0|1,0,0]=2 463 B7R0.16 C[C@H](N)[C@@H](N)C(=O)O MCULE-9507122128 [1,0,0,0,0,0|2,0,0]=3 464 B7R0.16 C[C@H](N)[C@@H](O)C(=O)O MCULE-2574349608 [1,0,0,0,0,0|1,0,0]=2 465 B7R0.16 C[C@H](N)[C@@H](O)C(=O)O MCULE-6297204649 [1,0,0,0,0,0|1,0,0]=2 466 B7R0.16 C[C@H](N)[C@H](N)C(=O)O MCULE-3178389621 [1,0,0,0,0,0|2,0,0]=3 467 B7R0.16 C[C@H](O)C(N)C(=O)O MCULE-6661175670 [1,0,0,0,0,0|1,0,0]=2 468 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-6288272506 [1,0,0,0,0,0|1,0,0]=2 469 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-7203096302 [1,0,0,0,0,0|1,0,0]=2 470 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-9531951265 [1,0,0,0,0,0|1,0,0]=2 471 B7R0.16 C[C@H](O)[C@H](N)C(=O)O MCULE-2246314901 [1,0,0,0,0,0|1,0,0]=2 472 B7R0.16 C[C@H](O)[C@H](N)C(=O)O MCULE-9478987169 [1,0,0,0,0,0|1,0,0]=2 473 B7R0.16 NC(C(=O)O)C(=O)O MCULE-6118746267 [1,0,0,0,0,0|1,0,2]=4 474 B7R0.16 O=C(O)C(Cl)C(=O)O MCULE-9776364495 [1,0,0,0,0,0|1,0,2]=4 475 B7R0.16 O=C(O)C(F)C(=O)O MCULE-9969055570 [1,0,0,0,0,0|1,0,2]=4 476 B7R0.16 O=C(O)C(O)C(=O)O MCULE-4232935518 [1,0,0,0,0,0|0,0,2]=3 477 B7R0.16 O=C(O)C(O)C(F)F MCULE-6750020534 [1,0,0,0,0,0|2,0,0]=3 478 B9R0.6 CCCC(C)C(N)C(=O)O MCULE-3481285649 [0,1,0,0,0,0|3,0,0]=4 479 B9R0.6 CCCC(N)C(O)C(=O)N MCULE-3877102152 [0,1,0,0,0,0|3,0,0]=4 480 B9R0.6 CCCC(N)C(O)C(=O)N MCULE-5998533545 [0,1,0,0,0,0|3,0,0]=4 481 B9R0.6 CCCC(O)C(N)C(=O)O MCULE-5391337444 [0,1,0,0,0,0|2,0,0]=3 482 B9R0.6 CCC[C@@H](N)C(O)C(=O)N MCULE-1873801018 [0,1,0,0,0,0|3,0,0]=4 483 B9R0.6 CCC[C@@H](N)C(O)C(=O)N MCULE-5086135715 [0,1,0,0,0,0|3,0,0]=4 484 B9R0.6 CCC[C@@H](N)[C@@H](O)C(=O)O MCULE-2918610954 [0,1,0,0,0,0|2,0,0]=3 485 B9R0.6 CCC[C@@H](N)[C@H](O)C(=O)O MCULE-1958502407 [0,1,0,0,0,0|2,0,0]=3 486 B9R0.6 CCC[C@H](N)C(O)C(=O)O MCULE-8649182139 [0,1,0,0,0,0|2,0,0]=3 487 B9R0.6 COCC(C)C(C)C(=O)O MCULE-8168198082 [0,1,0,0,0,0|2,0,0]=3 488 B9R0.6 C[C@H](O)[C@@H](O)[C@@H](O)CC=O MCULE-2872306796 [0,1,0,0,0,0|1,0,2]=4 489 B9R0.27 CCC(C)C(Cl)C(=O)OC MCULE-4549387192 [0,1,0,0,0,0|3,0,0]=4 490 B9R0.27 CCC(C)C(N)C(=O)OC MCULE-1846968686 [0,1,0,0,0,0|3,0,0]=4 491 B9R0.27 CCC(C)C(N)C(=O)OC MCULE-3209850544 [0,1,0,0,0,0|3,0,0]=4 492 B9R0.27 CCC(C)C(O)C(=O)OC MCULE-8434457313 [0,1,0,0,0,0|2,0,0]=3 493 B9R0.27 CCC(N)C(O)C(=O)OC MCULE-5958902036 [0,1,0,0,0,0|2,0,0]=3 494 B9R0.27 CCC(N)C(O)C(=O)OC MCULE-7272235506 [0,1,0,0,0,0|2,0,0]=3 495 B9R0.27 CCC(O)C(C)C(=O)OC MCULE-2007143538 [0,1,0,0,0,0|2,0,0]=3 496 B9R0.27 CC[C@@H](C)[C@H](N)C(=O)OC MCULE-5533680436 [0,1,0,0,0,0|3,0,0]=4 497 B9R0.27 CC[C@@H](C)[C@H](N)C(=O)OC MCULE-7868747169 [0,1,0,0,0,0|3,0,0]=4 498 B9R0.27 CC[C@@H](C)[C@H](N)C(=O)OC MCULE-9579020209 [0,1,0,0,0,0|3,0,0]=4 499 B9R0.27 CC[C@H](C)[C@@H](N)C(=O)OC MCULE-1729886523 [0,1,0,0,0,0|3,0,0]=4 500 B9R0.27 CC[C@H](C)[C@@H](N)C(=O)OC MCULE-2521314466 [0,1,0,0,0,0|3,0,0]=4 501 B9R0.27 CC[C@H](C)[C@@H](N)C(=O)OC MCULE-5130592222 [0,1,0,0,0,0|3,0,0]=4 502 B9R0.27 CC[C@H](C)[C@@H](N)C(=O)OC MCULE-6653217048 [0,1,0,0,0,0|3,0,0]=4 503 B9R0.27 CC[C@H](C)[C@H](N)C(=O)OC MCULE-5150983559 [0,1,0,0,0,0|3,0,0]=4 504 B9R0.27 CC[C@H](C)[C@H](N)C(=O)OC MCULE-6620651568 [0,1,0,0,0,0|3,0,0]=4 505 B9R0.27 CC[C@H](C)[C@H](N)C(=O)OC MCULE-7115424543 [0,1,0,0,0,0|3,0,0]=4 506 B9R0.27 CC[C@H](C)[C@H](N)C(=O)OC MCULE-9658781072 [0,1,0,0,0,0|3,0,0]=4 507 B9R0.27 COC(=O)C(O)C(C)OC MCULE-5538819656 [0,1,0,0,0,0|3,0,0]=4 508 B9R0.27 COC(=O)[C@@H](Br)[C@H](O)CBr MCULE-2908359031 [0,1,0,0,0,0|2,0,0]=3 509 B9R0.27 O=C(CO)C(O)C(O)CO MCULE-8935556784 [0,1,0,0,0,0|0,0,0]=1 510 B9R0.27 O=C(CO)[C@@H](O)[C@@H](O)CO MCULE-2725905076 [0,1,0,0,0,0|0,0,0]=1 511 B9R0.27 O=C(CO)[C@@H](O)[C@@H](O)CO MCULE-9876605173 [0,1,0,0,0,0|0,0,0]=1 512 B9R0.27 O=C(CO)[C@@H](O)[C@H](O)CO MCULE-7865729102 [0,1,0,0,0,0|0,0,0]=1 513 B9R0.27 O=C(CO)[C@@H](O)[C@H](O)CO MCULE-9552269577 [0,1,0,0,0,0|0,0,0]=1 514 B9R0.27 O=C(CO)[C@H](O)[C@@H](O)CO MCULE-2032052659 [0,1,0,0,0,0|0,0,0]=1 515 B9R0.27 O=C(CO)[C@H](O)[C@H](O)CO MCULE-5136624528 [0,1,0,0,0,0|0,0,0]=1 516 B9R0.27 O=CC(O)C(O)C(O)CO MCULE-9562771067 [0,1,0,0,0,0|0,0,1]=2 517 B9R0.27 O=C[C@@H](O)[C@@H](O)[C@@H](O)CO MCULE-1120126008 [0,1,0,0,0,0|0,0,1]=2 518 B9R0.27 O=C[C@@H](O)[C@@H](O)[C@@H](O)CO MCULE-2723797968 [0,1,0,0,0,0|0,0,1]=2 519 B9R0.27 O=C[C@@H](O)[C@@H](O)[C@H](O)CO MCULE-1190384749 [0,1,0,0,0,0|0,0,1]=2 520 B9R0.27 O=C[C@@H](O)[C@@H](O)[C@H](O)CO MCULE-2266732421 [0,1,0,0,0,0|0,0,1]=2 521 B9R0.27 O=C[C@@H](O)[C@H](O)[C@@H](O)CO MCULE-1097497548 [0,1,0,0,0,0|0,0,1]=2 522 B9R0.27 O=C[C@@H](O)[C@H](O)[C@@H](O)CO MCULE-7909984167 [0,1,0,0,0,0|0,0,1]=2 523 B9R0.27 O=C[C@@H](O)[C@H](O)[C@H](O)CO MCULE-1895838145 [0,1,0,0,0,0|0,0,1]=2 524 B9R0.27 O=C[C@@H](O)[C@H](O)[C@H](O)CO MCULE-7112552451 [0,1,0,0,0,0|0,0,1]=2 525 B9R0.27 O=C[C@H](O)[C@@H](F)[C@H](O)CO MCULE-6533146203 [0,1,0,0,0,0|1,0,1]=3 526 B9R0.27 O=C[C@H](O)[C@@H](O)[C@@H](O)CO MCULE-2590073916 [0,1,0,0,0,0|0,0,1]=2 527 B9R0.27 O=C[C@H](O)[C@@H](O)[C@@H](O)CO MCULE-9133960721 [0,1,0,0,0,0|0,0,1]=2 528 B9R0.27 O=C[C@H](O)[C@@H](O)[C@H](O)CO MCULE-2277980048 [0,1,0,0,0,0|0,0,1]=2 529 B9R0.27 O=C[C@H](O)[C@@H](O)[C@H](O)CO MCULE-2928575905 [0,1,0,0,0,0|0,0,1]=2 530 B9R0.27 O=C[C@H](O)[C@H](O)[C@@H](O)CO MCULE-4972279660 [0,1,0,0,0,0|0,0,1]=2 531 B9R0.27 O=C[C@H](O)[C@H](O)[C@@H](O)CO MCULE-6692095263 [0,1,0,0,0,0|0,0,1]=2 532 B9R0.27 O=C[C@H](O)[C@H](O)[C@H](O)CO MCULE-7503149757 [0,1,0,0,0,0|0,0,1]=2 533 B9R0.27 O=C[C@H](O)[C@H](O)[C@H](O)CO MCULE-9189507099 [0,1,0,0,0,0|0,0,1]=2 534 B9R0.27 O=C[C@H](O)[C@H](O)[C@H](O)CO MCULE-9734013313 [0,1,0,0,0,0|0,0,1]=2 535 B9R0.27 OCC(O)C(O)C(O)CO MCULE-9129572486 [0,1,0,0,0,0|0,0,2]=3 536 B9R0.27 OC[C@@H](O)C(O)[C@H](O)CO MCULE-8306941933 [0,1,0,0,0,0|0,0,2]=3 537 B9R0.27 OC[C@@H](O)C(O)[C@H](O)CO MCULE-9668936414 [0,1,0,0,0,0|0,0,2]=3 538 B9R0.27 OC[C@H](O)C(O)[C@@H](O)CO MCULE-6137228639 [0,1,0,0,0,0|0,0,2]=3 539 B9R0.27 OC[C@H](O)C(O)[C@@H](O)CO MCULE-9731864914 [0,1,0,0,0,0|0,0,2]=3 540 B9R0.27 OC[C@H](O)[C@@H](O)[C@H](O)CO MCULE-6476329373 [0,1,0,0,0,0|0,0,2]=3 541 B9R0.27 OC[C@H](O)[C@H](O)[C@H](O)CO MCULE-5168116503 [0,1,0,0,0,0|0,0,2]=3 542 B9R0.28 CCC(C)C(F)(F)C(=O)O MCULE-8813807658 [0,1,0,0,0,0|3,0,0]=4 543 B9R0.28 CCC(O)C(F)(F)C(=O)O MCULE-8473962124 [0,1,0,0,0,0|2,0,0]=3 544 B9R0.29 CCC(C)C(NC)C(=O)O MCULE-1957885665 [0,1,0,0,0,0|3,0,0]=4 545 B9R0.29 CCC(C)C(OC)C(=O)O MCULE-7966384544 [0,1,0,0,0,0|2,0,0]=3 546 B9R0.29 CC[C@@H](C)[C@H](NC)C(=O)O MCULE-8364477291 [0,1,0,0,0,0|3,0,0]=4 547 B9R0.29 CC[C@H](C)[C@@H](NC)C(=O)O MCULE-6136891317 [0,1,0,0,0,0|3,0,0]=4 548 B9R0.29 CC[C@H](C)[C@H](NC)C(=O)O MCULE-1871065287 [0,1,0,0,0,0|3,0,0]=4 549 B9R0.29 CC[C@H](C)[C@H](NC)C(=O)O MCULE-3891615565 [0,1,0,0,0,0|3,0,0]=4 550 B9R0.29 CC[C@H](C)[C@H](NC)C(=O)O MCULE-9489341112 [0,1,0,0,0,0|3,0,0]=4 551 B9R0.29 COC(C)C(OC)C(=O)O MCULE-8500320405 [0,1,0,0,0,0|3,0,0]=4 552 B9R0.29 [C@H](C)(CC)[C@H](NC)C(=O)O MCULE-1663789159 [0,1,0,0,0,0|3,0,0]=4 553 B9R0.32 CC(C)(CN)C(O)C(=O)O MCULE-1251426662 [0,1,0,0,0,0|2,0,0]=3 554 B9R0.32 CC(C)(CO)C(=O)C(=O)O MCULE-6046561180 [0,1,0,0,0,0|1,0,2]=4 555 B9R0.32 CC(C)(CO)C(O)C(=O)N MCULE-2942836455 [0,1,0,0,0,0|2,0,0]=3 556 B9R0.32 CC(C)(CO)C(O)C(=O)O MCULE-3752332762 [0,1,0,0,0,0|1,0,0]=2 557 B9R0.32 CC(C)(CO)C(O)C(=O)[O-] MCULE-8284553290 [0,1,0,0,0,0|1,0,1]=3 558 B9R0.32 CC(C)(CO)[C@@H](O)C(=O)O MCULE-7418140514 [0,1,0,0,0,0|1,0,0]=2 559 B9R0.32 CC(C)(CO)[C@@H](O)C(=O)[O-] MCULE-3131803550 [0,1,0,0,0,0|1,0,1]=3 560 B9R0.32 CCC(C)(C)C(N)C(=O)O MCULE-2030759346 [0,1,0,0,0,0|3,0,0]=4 561 B9R0.32 CCC(C)(C)C(N)C(=O)O MCULE-8756866734 [0,1,0,0,0,0|3,0,0]=4 562 B9R0.32 CCC(C)(C)C(O)C(=O)O MCULE-6783140520 [0,1,0,0,0,0|2,0,0]=3 563 B9R0.32 CCC(C)(O)C(O)C(=O)O MCULE-6322081363 [0,1,0,0,0,0|1,0,0]=2 564 B9R0.41 CCC(CC)C(C)C(=O)O MCULE-8487981910 [0,1,0,0,0,0|3,0,0]=4 565 B9R0.41 CCC(CC)C(N)C(=O)O MCULE-5833155408 [0,1,0,0,0,0|3,0,0]=4 566 B9R0.41 CCC(CC)C(N)C(=O)O MCULE-6712053086 [0,1,0,0,0,0|3,0,0]=4 567 B9R0.41 CCC(CC)C(O)C(=O)N MCULE-7184457381 [0,1,0,0,0,0|3,0,0]=4 568 B9R0.41 CCC(CC)[C@@H](N)C(=O)O MCULE-2731098319 [0,1,0,0,0,0|3,0,0]=4 569 B9R0.41 CCC(CC)[C@H](N)C(=O)O MCULE-2848963263 [0,1,0,0,0,0|3,0,0]=4 570 B9R0.41 CCC(CC)[C@H](N)C(=O)O MCULE-7573557331 [0,1,0,0,0,0|3,0,0]=4 571 B9R0.79 C=C(O)[C@@H](O)[C@@H](O)C(=C)O MCULE-4802689848 [0,1,0,0,0,0|1,0,1]=3 572 B9R0.79 CC(C(=O)O)C(C)C(=O)O MCULE-6112773421 [0,1,0,0,0,0|2,0,1]=4 573 B9R0.79 CC(C(=O)O)C(N)C(=O)O MCULE-7699599383 [0,1,0,0,0,0|2,0,1]=4 574 B9R0.79 CC(C(=O)O)C(O)C(=O)O MCULE-1644748819 [0,1,0,0,0,0|1,0,1]=3 575 B9R0.79 CC(C(=O)O)[C@H](N)C(=O)O MCULE-1516476673 [0,1,0,0,0,0|2,0,1]=4 576 B9R0.79 CC(C)C(O)C(N)C(=O)O MCULE-8766263714 [0,1,0,0,0,0|2,0,0]=3 577 B9R0.79 CC(C)C(O)[C@H](N)C(=O)O MCULE-5332720895 [0,1,0,0,0,0|2,0,0]=3 578 B9R0.79 CC(C)[C@@H](O)[C@@H](C)C(=O)O MCULE-5667397461 [0,1,0,0,0,0|2,0,0]=3 579 B9R0.79 CC(C)[C@@H](O)[C@@H](N)C(=O)O MCULE-2425417830 [0,1,0,0,0,0|2,0,0]=3 580 B9R0.79 CC(C)[C@@H](O)[C@H](N)C(=O)O MCULE-5438285037 [0,1,0,0,0,0|2,0,0]=3 581 B9R0.79 CC(C)[C@@H](O)[C@H](N)C(=O)O MCULE-6278820254 [0,1,0,0,0,0|2,0,0]=3 582 B9R0.79 CC(C)[C@@H](O)[C@H](N)C(=O)O MCULE-7542741263 [0,1,0,0,0,0|2,0,0]=3 583 B9R0.79 CC(C)[C@@H](O)[C@H](N)C(=O)O MCULE-8101644962 [0,1,0,0,0,0|2,0,0]=3 584 B9R0.79 CC(C)[C@H](O)[C@@H](N)C(=O)O MCULE-6429723072 [0,1,0,0,0,0|2,0,0]=3 585 B9R0.79 CC(C)[C@H](O)[C@@H](N)C(=O)O MCULE-8455636907 [0,1,0,0,0,0|2,0,0]=3 586 B9R0.79 CC(C)[C@H](O)[C@H](N)C(=O)O MCULE-9657202987 [0,1,0,0,0,0|2,0,0]=3 587 B9R0.79 CC(C)[C@H](O)[C@H](N)C(=O)O MCULE-9762128000 [0,1,0,0,0,0|2,0,0]=3 588 B9R0.79 CC(O)C(C)C(N)C(=O)O MCULE-2897656809 [0,1,0,0,0,0|2,0,0]=3 589 B9R0.79 CC(O)[C@H](C)[C@H](N)C(=O)O MCULE-6535308910 [0,1,0,0,0,0|2,0,0]=3 590 B9R0.79 CC(O)[C@H](C)[C@H](N)C(=O)O MCULE-8450789997 [0,1,0,0,0,0|2,0,0]=3 591 B9R0.79 C[C@H](C(=O)O)[C@@H](C)C(=O)O MCULE-1961663558 [0,1,0,0,0,0|2,0,1]=4 592 B9R0.79 C[C@H](C(=O)O)[C@@H](N)C(=O)O MCULE-1232463081 [0,1,0,0,0,0|2,0,1]=4 593 B9R0.79 C[C@H](C(=O)O)[C@H](N)C(=O)O MCULE-3277052139 [0,1,0,0,0,0|2,0,1]=4 594 B9R0.79 C[C@H](O)[C@H](C)[C@H](N)C(=O)O MCULE-1376333194 [0,1,0,0,0,0|2,0,0]=3 595 B9R0.79 C[C@H](O)[C@H](C)[C@H](N)C(=O)O MCULE-4005119004 [0,1,0,0,0,0|2,0,0]=3 596 B9R0.79 NC(=O)C(O)C(O)C(=O)N MCULE-9698453363 [0,1,0,0,0,0|1,0,2]=4 597 B9R0.79 NC(C(=O)O)C(N)C(=O)O MCULE-8316230798 [0,1,0,0,0,0|2,0,1]=4 598 B9R0.79 NC(C(=O)O)C(O)C(=O)O MCULE-9532787420 [0,1,0,0,0,0|1,0,1]=3 599 B9R0.79 N[C@@H](C(=O)O)[C@@H](F)C(=O)O MCULE-2171226271 [0,1,0,0,0,0|2,0,1]=4 600 B9R0.79 N[C@H](C(=O)O)[C@@H](N)C(=O)O MCULE-6540811499 [0,1,0,0,0,0|2,0,1]=4 601 B9R0.79 N[C@H](C(=O)O)[C@H](O)C(=O)O MCULE-1913101511 [0,1,0,0,0,0|1,0,1]=3 602 B9R0.79 N[C@H](C(=O)O)[C@H](O)C(=O)O MCULE-9488918896 [0,1,0,0,0,0|1,0,1]=3 603 B9R0.79 O=C(O)/C(=C(\O)/C(=O)O)/O MCULE-4694187983 [0,1,0,0,0,0|0,0,3]=4 604 B9R0.79 O=C(O)C(=C(O)C(=O)O)O MCULE-1231900319 [0,1,0,0,0,0|0,0,3]=4 605 B9R0.79 O=C(O)C(Br)C(Br)C(=O)O MCULE-5784765255 [0,1,0,0,0,0|2,0,1]=4 606 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-1129308393 [0,1,0,0,0,0|0,0,1]=2 607 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-2045308981 [0,1,0,0,0,0|0,0,1]=2 608 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-2628563960 [0,1,0,0,0,0|0,0,1]=2 609 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-3711883524 [0,1,0,0,0,0|0,0,1]=2 610 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-3867000095 [0,1,0,0,0,0|0,0,1]=2 611 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-4358223174 [0,1,0,0,0,0|0,0,1]=2 612 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-4807487882 [0,1,0,0,0,0|0,0,1]=2 613 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-5140635020 [0,1,0,0,0,0|0,0,1]=2 614 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-6522296758 [0,1,0,0,0,0|0,0,1]=2 615 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-6821495270 [0,1,0,0,0,0|0,0,1]=2 616 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-7561074998 [0,1,0,0,0,0|0,0,1]=2 617 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-8089597216 [0,1,0,0,0,0|0,0,1]=2 618 B9R0.79 O=C(O)C(O)[C@@H](O)C(=O)O MCULE-5751523258 [0,1,0,0,0,0|0,0,1]=2 619 B9R0.79 O=C(O)C(O)[C@@H](O)C(=O)O MCULE-9550173577 [0,1,0,0,0,0|0,0,1]=2 620 B9R0.79 O=C(O)C(O)[C@H](O)C(=O)O MCULE-7402521361 [0,1,0,0,0,0|0,0,1]=2 621 B9R0.79 O=C(O)C(S)C(S)C(=O)O MCULE-6206640169 [0,1,0,0,0,0|0,2,1]=4 622 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-2640391251 [0,1,0,0,0,0|0,0,1]=2 623 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-3329629643 [0,1,0,0,0,0|0,0,1]=2 624 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-3643444072 [0,1,0,0,0,0|0,0,1]=2 625 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-4107297969 [0,1,0,0,0,0|0,0,1]=2 626 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-6410123526 [0,1,0,0,0,0|0,0,1]=2 627 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-6491788082 [0,1,0,0,0,0|0,0,1]=2 628 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-8917357121 [0,1,0,0,0,0|0,0,1]=2 629 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-9727943205 [0,1,0,0,0,0|0,0,1]=2 630 B9R0.79 O=C(O)[C@H](Br)[C@H](Br)C(=O)O MCULE-4542712392 [0,1,0,0,0,0|2,0,1]=4 631 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-1568229930 [0,1,0,0,0,0|0,0,1]=2 632 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-2241188013 [0,1,0,0,0,0|0,0,1]=2 633 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-2831813022 [0,1,0,0,0,0|0,0,1]=2 634 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-3942804599 [0,1,0,0,0,0|0,0,1]=2 635 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-5431486019 [0,1,0,0,0,0|0,0,1]=2 636 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-5579731165 [0,1,0,0,0,0|0,0,1]=2 637 B9R0.79 O=C(O)[C@H](S)[C@H](S)C(=O)O MCULE-4953802229 [0,1,0,0,0,0|0,2,1]=4 638 B9R0.79 O=C([O-])C(O)C(O)C(=O)O MCULE-7425540478 [0,1,0,0,0,0|0,0,2]=3 639 B9R0.79 O=C([O-])C(O)C(O)C(=O)O MCULE-8338522673 [0,1,0,0,0,0|0,0,2]=3 640 B9R0.79 O=C([O-])C(O)C(O)C(=O)[O-] MCULE-1120076524 [0,1,0,0,0,0|0,0,3]=4 641 B9R0.79 O=C([O-])C(O)C(O)C(=O)[O-] MCULE-4518735246 [0,1,0,0,0,0|0,0,3]=4 642 B9R0.79 O=C([O-])[C@@H](O)[C@H](O)C(=O)O MCULE-2803273406 [0,1,0,0,0,0|0,0,2]=3 643 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)O MCULE-3429484887 [0,1,0,0,0,0|0,0,2]=3 644 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)O MCULE-5385898917 [0,1,0,0,0,0|0,0,2]=3 645 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)O MCULE-9680288022 [0,1,0,0,0,0|0,0,2]=3 646 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)[O-] MCULE-5904390200 [0,1,0,0,0,0|0,0,3]=4 647 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)[O-] MCULE-7305038555 [0,1,0,0,0,0|0,0,3]=4 648 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)[O-] MCULE-9168226203 [0,1,0,0,0,0|0,0,3]=4 649 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)[O-] MCULE-9463773027 [0,1,0,0,0,0|0,0,3]=4 650 B9R0.79 [C@@H](N)(C(=O)O)[C@@H](C)C(C)O MCULE-7488780154 [0,1,0,0,0,0|2,0,0]=3 651 B9R0.79 [C@@H](O)(C(=O)O)[C@H](O)C(=O)O MCULE-5798988872 [0,1,0,0,0,0|0,0,1]=2 652 B9R0.79 [C@H](O)(C(=O)O)[C@@H](O)C(=O)O MCULE-9974976226 [0,1,0,0,0,0|0,0,1]=2 653 B9R0.79 [C@H](O)(C(=O)[O-])[C@@H](O)C(=O)O MCULE-7449957572 [0,1,0,0,0,0|0,0,2]=3 654 B9R1.3 CC1OCCC(C1O)O MCULE-6494583965 [0,0,0,1,0,0|2,0,1]=4 655 B9R1.3 O=C1NCCC(C1Cl)O MCULE-3547246755 [0,0,0,1,0,0|3,0,0]=4 656 B9R1.3 O=C1NCC[C@H]([C@@H]1Cl)O MCULE-4122559640 [0,0,0,1,0,0|3,0,0]=4 657 B9R1.3 OC1CCCC(C1O)O MCULE-2835511427 [0,0,0,1,0,0|2,0,1]=4 658 B9R1.37 CC1OC(=O)C(=C1O)O MCULE-5304828877 [0,0,0,1,0,0|1,0,2]=4 659 B9R1.37 CC1OC(=O)C(C1O)O MCULE-1862325809 [0,0,0,1,0,0|1,0,0]=2 660 B9R1.37 CC1OC(C(C1O)O)O MCULE-7774087123 [0,0,0,1,0,0|1,0,1]=3 661 B9R1.37 C[C@@H]1OC(=O)[C@@H]([C@H]1I)O MCULE-8523724511 [0,0,0,1,0,0|2,0,0]=3 662 B9R1.37 C[C@@H]1OC(=O)[C@@H]([C@H]1O)O MCULE-3554272195 [0,0,0,1,0,0|1,0,0]=2 663 B9R1.37 N[C@@H]1C[C@@H]([C@H]([C@H]1O)O)O MCULE-7192019909 [0,0,0,1,0,0|2,0,1]=4 664 B9R1.37 N[C@@H]1C[C@@H]([C@H]([C@H]1O)O)O MCULE-9128030642 [0,0,0,1,0,0|2,0,1]=4 665 B9R1.41 CC1CCCC1C(=O)O MCULE-5150428001 [0,0,0,1,0,0|3,0,0]=4 666 B9R1.41 CC1CCNC1C(=O)O MCULE-3835684911 [0,0,0,1,0,0|3,0,0]=4 667 B9R1.41 CC1CCNC1C(=O)O MCULE-8361777649 [0,0,0,1,0,0|3,0,0]=4 668 B9R1.41 CC1CNCC1C(=O)O MCULE-1581522558 [0,0,0,1,0,0|3,0,0]=4 669 B9R1.41 CC1CNCC1C(=O)O MCULE-6848551085 [0,0,0,1,0,0|3,0,0]=4 670 B9R1.41 C[C@@H]1CCN[C@@H]1C(=O)O MCULE-6239309390 [0,0,0,1,0,0|3,0,0]=4 671 B9R1.41 C[C@@H]1CCN[C@H]1C(=O)O MCULE-1608471752 [0,0,0,1,0,0|3,0,0]=4 672 B9R1.41 C[C@@H]1CCN[C@H]1C(=O)O MCULE-2896759092 [0,0,0,1,0,0|3,0,0]=4 673 B9R1.41 C[C@@H]1CCO[C@H]1C(=O)O MCULE-5338216485 [0,0,0,1,0,0|2,0,0]=3 674 B9R1.41 C[C@@H]1CNC[C@H]1C(=O)O MCULE-3425733853 [0,0,0,1,0,0|3,0,0]=4 675 B9R1.41 C[C@@H]1CNC[C@H]1C(=O)O MCULE-5424989009 [0,0,0,1,0,0|3,0,0]=4 676 B9R1.41 C[C@H]1CCN[C@@H]1C(=O)O MCULE-1694933393 [0,0,0,1,0,0|3,0,0]=4 677 B9R1.41 C[C@H]1CCN[C@@H]1C(=O)O MCULE-9088637113 [0,0,0,1,0,0|3,0,0]=4 678 B9R1.41 C[C@H]1CCN[C@H]1C(=O)O MCULE-1449988566 [0,0,0,1,0,0|3,0,0]=4 679 B9R1.41 NC(=O)C1NCCC1O MCULE-1947851170 [0,0,0,1,0,0|3,0,0]=4 680 B9R1.41 NC(=O)C1NCCC1O MCULE-8983481897 [0,0,0,1,0,0|3,0,0]=4 681 B9R1.41 NC(=O)[C@@H]1CCC[C@@H]1O MCULE-7290076922 [0,0,0,1,0,0|3,0,0]=4 682 B9R1.41 NC(=O)[C@H]1NCC[C@@H]1O MCULE-1119399523 [0,0,0,1,0,0|3,0,0]=4 683 B9R1.41 NC(=O)[C@H]1NCC[C@@H]1O MCULE-4733398267 [0,0,0,1,0,0|3,0,0]=4 684 B9R1.41 NC(=O)[C@H]1NCC[C@H]1O MCULE-8085547151 [0,0,0,1,0,0|3,0,0]=4 685 B9R1.41 NC(=O)[C@H]1NCC[C@H]1O MCULE-8491779714 [0,0,0,1,0,0|3,0,0]=4 686 B9R1.41 NC1CCCC1C(=O)O MCULE-4916984038 [0,0,0,1,0,0|3,0,0]=4 687 B9R1.41 NC1CCCC1C(=O)O MCULE-7220342321 [0,0,0,1,0,0|3,0,0]=4 688 B9R1.41 NC1CCNC1C(=O)O MCULE-3789976956 [0,0,0,1,0,0|3,0,0]=4 689 B9R1.41 NC1CCNC1C(=O)O MCULE-5356536056 [0,0,0,1,0,0|3,0,0]=4 690 B9R1.41 NC1CNCC1C(=O)O MCULE-1244086282 [0,0,0,1,0,0|3,0,0]=4 691 B9R1.41 NC1COCC1C(=O)O MCULE-7325840275 [0,0,0,1,0,0|2,0,0]=3 692 B9R1.41 NC1COCC1C(=O)O MCULE-9068897815 [0,0,0,1,0,0|2,0,0]=3 693 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O MCULE-3446631182 [0,0,0,1,0,0|3,0,0]=4 694 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O MCULE-4537266002 [0,0,0,1,0,0|3,0,0]=4 695 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O MCULE-9091292908 [0,0,0,1,0,0|3,0,0]=4 696 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O MCULE-9780104108 [0,0,0,1,0,0|3,0,0]=4 697 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O MCULE-1397305924 [0,0,0,1,0,0|3,0,0]=4 698 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O MCULE-5447983159 [0,0,0,1,0,0|3,0,0]=4 699 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O MCULE-6345808896 [0,0,0,1,0,0|3,0,0]=4 700 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O MCULE-7658809060 [0,0,0,1,0,0|3,0,0]=4 701 B9R1.41 N[C@@H]1CCN[C@@H]1C(=O)O MCULE-1080605796 [0,0,0,1,0,0|3,0,0]=4 702 B9R1.41 N[C@@H]1CCN[C@@H]1C(=O)O MCULE-5666272526 [0,0,0,1,0,0|3,0,0]=4 703 B9R1.41 N[C@@H]1CCN[C@@H]1C(=O)O MCULE-5723263979 [0,0,0,1,0,0|3,0,0]=4 704 B9R1.41 N[C@@H]1CCN[C@@H]1C(=O)O MCULE-6574312344 [0,0,0,1,0,0|3,0,0]=4 705 B9R1.41 N[C@@H]1COC[C@@H]1C(=O)O MCULE-9833243208 [0,0,0,1,0,0|2,0,0]=3 706 B9R1.41 N[C@@H]1COC[C@H]1C(=O)O MCULE-7323429960 [0,0,0,1,0,0|2,0,0]=3 707 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O MCULE-5128495564 [0,0,0,1,0,0|3,0,0]=4 708 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O MCULE-7721875754 [0,0,0,1,0,0|3,0,0]=4 709 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O MCULE-8287396944 [0,0,0,1,0,0|3,0,0]=4 710 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O MCULE-9470915806 [0,0,0,1,0,0|3,0,0]=4 711 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O MCULE-9776724097 [0,0,0,1,0,0|3,0,0]=4 712 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O MCULE-9997148303 [0,0,0,1,0,0|3,0,0]=4 713 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O MCULE-1768949677 [0,0,0,1,0,0|3,0,0]=4 714 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O MCULE-2999200875 [0,0,0,1,0,0|3,0,0]=4 715 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O MCULE-4735278058 [0,0,0,1,0,0|3,0,0]=4 716 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O MCULE-7501259126 [0,0,0,1,0,0|3,0,0]=4 717 B9R1.41 N[C@H]1COC[C@@H]1C(=O)O MCULE-4396526735 [0,0,0,1,0,0|2,0,0]=3 718 B9R1.41 N[C@H]1COC[C@@H]1C(=O)O MCULE-9025415433 [0,0,0,1,0,0|2,0,0]=3 719 B9R1.41 N[C@H]1COC[C@H]1C(=O)O MCULE-2956846972 [0,0,0,1,0,0|2,0,0]=3 720 B9R1.41 N[C@H]1COC[C@H]1C(=O)O MCULE-3321988270 [0,0,0,1,0,0|2,0,0]=3 721 B9R1.41 O=C(O)C1CCCC1O MCULE-5519958446 [0,0,0,1,0,0|2,0,0]=3 722 B9R1.41 O=C(O)C1CNCC1O MCULE-4948062518 [0,0,0,1,0,0|2,0,0]=3 723 B9R1.41 O=C(O)C1CNCC1O MCULE-8113161890 [0,0,0,1,0,0|2,0,0]=3 724 B9R1.41 O=C(O)C1COCC1F MCULE-8830875984 [0,0,0,1,0,0|2,0,0]=3 725 B9R1.41 O=C(O)C1NCCC1F MCULE-2108063646 [0,0,0,1,0,0|3,0,0]=4 726 B9R1.41 O=C(O)C1NCCC1F MCULE-6901343291 [0,0,0,1,0,0|3,0,0]=4 727 B9R1.41 O=C(O)C1NCCC1O MCULE-3415911467 [0,0,0,1,0,0|2,0,0]=3 728 B9R1.41 O=C(O)C1NCCC1O MCULE-3678949962 [0,0,0,1,0,0|2,0,0]=3 729 B9R1.41 O=C(O)C1NCCC1O MCULE-6594922763 [0,0,0,1,0,0|2,0,0]=3 730 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1F MCULE-3174474393 [0,0,0,1,0,0|3,0,0]=4 731 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1F MCULE-5151888407 [0,0,0,1,0,0|3,0,0]=4 732 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O MCULE-1216340314 [0,0,0,1,0,0|2,0,0]=3 733 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O MCULE-1564327038 [0,0,0,1,0,0|2,0,0]=3 734 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O MCULE-8208546333 [0,0,0,1,0,0|2,0,0]=3 735 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O MCULE-9489383113 [0,0,0,1,0,0|2,0,0]=3 736 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O MCULE-9999937302 [0,0,0,1,0,0|2,0,0]=3 737 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1F MCULE-7001095632 [0,0,0,1,0,0|3,0,0]=4 738 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1F MCULE-7931619369 [0,0,0,1,0,0|3,0,0]=4 739 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O MCULE-1637514285 [0,0,0,1,0,0|2,0,0]=3 740 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O MCULE-7041138309 [0,0,0,1,0,0|2,0,0]=3 741 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O MCULE-9174140225 [0,0,0,1,0,0|2,0,0]=3 742 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O MCULE-9867563873 [0,0,0,1,0,0|2,0,0]=3 743 B9R1.41 O=C(O)[C@@H]1[NH2+]CC[C@@H]1O MCULE-4350473030 [0,0,0,1,0,0|2,0,0]=3 744 B9R1.41 O=C(O)[C@H]1CCC[C@H]1O MCULE-7220456005 [0,0,0,1,0,0|2,0,0]=3 745 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F MCULE-1175817797 [0,0,0,1,0,0|3,0,0]=4 746 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F MCULE-5823079222 [0,0,0,1,0,0|3,0,0]=4 747 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F MCULE-6437141041 [0,0,0,1,0,0|3,0,0]=4 748 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F MCULE-8496599400 [0,0,0,1,0,0|3,0,0]=4 749 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O MCULE-1891620706 [0,0,0,1,0,0|2,0,0]=3 750 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O MCULE-2757873569 [0,0,0,1,0,0|2,0,0]=3 751 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O MCULE-2760733859 [0,0,0,1,0,0|2,0,0]=3 752 B9R1.41 O=C(O)[C@H]1NCC[C@H]1F MCULE-8117073613 [0,0,0,1,0,0|3,0,0]=4 753 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-2253713572 [0,0,0,1,0,0|2,0,0]=3 754 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-4523708371 [0,0,0,1,0,0|2,0,0]=3 755 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-6240521801 [0,0,0,1,0,0|2,0,0]=3 756 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-6709232399 [0,0,0,1,0,0|2,0,0]=3 757 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-6746975985 [0,0,0,1,0,0|2,0,0]=3 758 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-8268334758 [0,0,0,1,0,0|2,0,0]=3 759 B9R1.41 [C@@H]1(CCN[C@H]1C(=O)O)O MCULE-2060265421 [0,0,0,1,0,0|2,0,0]=3 760 B9R1.41 [C@@H]1(NCC[C@H]1O)C(=O)O MCULE-1208236317 [0,0,0,1,0,0|2,0,0]=3 761 B9R1.41 [C@H]1(CCN[C@H]1C(=O)O)O MCULE-3906438921 [0,0,0,1,0,0|2,0,0]=3 762 B9R1.93 CCC1CC1(N)C(=O)O MCULE-5139419329 [0,0,0,1,0,0|3,0,0]=4 763 B9R1.96 C1(NCC1CC)C(=O)O MCULE-9517338987 [0,0,0,1,0,0|3,0,0]=4 764 B9R1.96 CCC1CNC1C(=O)O MCULE-5561702986 [0,0,0,1,0,0|3,0,0]=4 765 B9R1.96 CCC1CN[C@@H]1C(=O)O MCULE-1585063492 [0,0,0,1,0,0|3,0,0]=4 766 B9R1.96 CCC1CN[C@@H]1C(=O)O MCULE-7143773936 [0,0,0,1,0,0|3,0,0]=4 767 B9R1.96 O=C(O)C1CCC1CO MCULE-9648982851 [0,0,0,1,0,0|2,0,0]=3 768 B9R1.96 O=C([O-])C1CCC1CO MCULE-8666321081 [0,0,0,1,0,0|2,0,1]=4 769 B9R1.110 C(N)(C(=O)O)C1CCC1 MCULE-9659994288 [0,0,0,1,0,0|3,0,0]=4 770 B9R1.110 C(N)(C(=O)O)C1COC1 MCULE-5400337176 [0,0,0,1,0,0|2,0,0]=3 771 B9R1.110 CC(C(=O)O)C1CCC1 MCULE-1352377374 [0,0,0,1,0,0|3,0,0]=4 772 B9R1.110 CC(C(=O)O)C1CCC1 MCULE-3278183132 [0,0,0,1,0,0|3,0,0]=4 773 B9R1.110 CC(C(=O)O)C1CCO1 MCULE-4481804660 [0,0,0,1,0,0|2,0,0]=3 774 B9R1.110 CC(C(=O)O)C1CNC1 MCULE-3425038216 [0,0,0,1,0,0|3,0,0]=4 775 B9R1.110 CC(C(=O)O)C1CNC1 MCULE-8368638713 [0,0,0,1,0,0|3,0,0]=4 776 B9R1.110 CC(C(=O)O)C1COC1 MCULE-1438881074 [0,0,0,1,0,0|2,0,0]=3 777 B9R1.110 NC(C(=O)O)C1CCC1 MCULE-3775442501 [0,0,0,1,0,0|3,0,0]=4 778 B9R1.110 NC(C(=O)O)C1CCC1 MCULE-4685141546 [0,0,0,1,0,0|3,0,0]=4 779 B9R1.110 NC(C(=O)O)C1COC1 MCULE-1331194239 [0,0,0,1,0,0|2,0,0]=3 780 B9R1.110 N[C@@H](C(=O)O)C1CCC1 MCULE-2214697836 [0,0,0,1,0,0|3,0,0]=4 781 B9R1.110 N[C@@H](C(=O)O)C1CCC1 MCULE-7786634114 [0,0,0,1,0,0|3,0,0]=4 782 B9R1.110 N[C@@H](C(=O)O)C1CCC1 MCULE-8265180180 [0,0,0,1,0,0|3,0,0]=4 783 B9R1.110 N[C@@H](C(=O)O)C1CCC1 MCULE-9469768507 [0,0,0,1,0,0|3,0,0]=4 784 B9R1.110 N[C@@H](C(=O)O)C1COC1 MCULE-4389145324 [0,0,0,1,0,0|2,0,0]=3 785 B9R1.110 N[C@@H](C(=O)O)C1COC1 MCULE-4852474986 [0,0,0,1,0,0|2,0,0]=3 786 B9R1.110 N[C@H](C(=O)O)C1CCC1 MCULE-4701147798 [0,0,0,1,0,0|3,0,0]=4 787 B9R1.110 N[C@H](C(=O)O)C1CCC1 MCULE-5196473423 [0,0,0,1,0,0|3,0,0]=4 788 B9R1.110 N[C@H](C(=O)O)C1CCC1 MCULE-8882106256 [0,0,0,1,0,0|3,0,0]=4 789 B9R1.110 N[C@H](C(=O)O)C1COC1 MCULE-3016057788 [0,0,0,1,0,0|2,0,0]=3 790 B9R1.110 N[C@H](C(=O)O)C1COC1 MCULE-8770476335 [0,0,0,1,0,0|2,0,0]=3 791 B9R1.110 O=C(O)C(Br)C1CCC1 MCULE-4353551170 [0,0,0,1,0,0|3,0,0]=4 792 B9R1.110 O=C(O)C(F)C1CCC1 MCULE-8989287343 [0,0,0,1,0,0|3,0,0]=4 793 B9R1.110 O=C(O)C(O)C1CCC1 MCULE-8720651836 [0,0,0,1,0,0|2,0,0]=3 794 B9R1.110 O=C(O)[C@@H](O)C1CCC1 MCULE-7295025986 [0,0,0,1,0,0|2,0,0]=3 795 B9R1.110 O=C(O)[C@H](O)C1CCC1 MCULE-7776940136 [0,0,0,1,0,0|2,0,0]=3 796 B9R1.111 CC(C(=O)O)C1(CC1)N MCULE-1517881247 [0,0,0,1,0,0|3,0,0]=4 797 B9R1.111 CC1(CC1)C(N)C(=O)O MCULE-6145936175 [0,0,0,1,0,0|3,0,0]=4 798 B9R1.111 CC1(CC1)C(N)C(=O)O MCULE-7535494625 [0,0,0,1,0,0|3,0,0]=4 799 B9R1.111 CC1(CC1)C(O)C(=O)O MCULE-9368385665 [0,0,0,1,0,0|2,0,0]=3 800 B9R1.111 CC1(CC1)[C@H](N)C(=O)O MCULE-1811208675 [0,0,0,1,0,0|3,0,0]=4 801 B9R1.111 CC1(CC1)[C@H](N)C(=O)O MCULE-7721561513 [0,0,0,1,0,0|3,0,0]=4 802 B9R1.111 NC(C(=O)O)C1(CC1)O MCULE-6983168418 [0,0,0,1,0,0|2,0,0]=3 803 B9R1.111 NC(C(=O)O)C1(CC1)O MCULE-8148582012 [0,0,0,1,0,0|2,0,0]=3 804 B9R1.111 N[C@@H](C(=O)O)C1(CC1)O MCULE-3141771978 [0,0,0,1,0,0|2,0,0]=3 805 B9R1.111 N[C@H](C(=O)O)C1(CC1)O MCULE-9602505956 [0,0,0,1,0,0|2,0,0]=3 806 B9R1.111 [C@@H](N)(C(=O)O)C1(CC1)C MCULE-5173033031 [0,0,0,1,0,0|3,0,0]=4 807 B9R1.111 [C@@H](N)(C(=O)O)C1(CC1)C MCULE-8799551410 [0,0,0,1,0,0|3,0,0]=4 808 B9R1.127 CCC1(CC1C(=O)O)C MCULE-5907126944 [0,0,0,1,0,0|3,0,0]=4 809 B9R1.132 CN1C(=O)OCC1CO MCULE-8007610205 [0,0,0,1,0,0|3,0,0]=4 810 B9R1.132 OCC1NCC(C1O)O MCULE-7093172739 [0,0,0,1,0,0|2,0,1]=4 811 B9R1.132 OCC1NCC(C1O)O MCULE-9377849443 [0,0,0,1,0,0|2,0,1]=4 812 B9R1.132 OCC1OCC(C1O)O MCULE-6035918255 [0,0,0,1,0,0|1,0,1]=3 813 B9R1.132 OC[C@@H]1OC[C@H]([C@H]1O)O MCULE-5977248366 [0,0,0,1,0,0|1,0,1]=3 814 B9R1.132 OC[C@H]1NC[C@@H]([C@@H]1O)O MCULE-1707860323 [0,0,0,1,0,0|2,0,1]=4 815 B9R1.132 OC[C@H]1NC[C@@H]([C@@H]1O)O MCULE-3279393618 [0,0,0,1,0,0|2,0,1]=4 816 B9R1.132 OC[C@H]1NC[C@@H]([C@@H]1O)O MCULE-8001939489 [0,0,0,1,0,0|2,0,1]=4 817 B9R1.132 OC[C@H]1NC[C@@H]([C@@H]1O)O MCULE-9735967120 [0,0,0,1,0,0|2,0,1]=4 818 B9R1.132 OC[C@H]1NC[C@H]([C@@H]1O)O MCULE-2264267716 [0,0,0,1,0,0|2,0,1]=4 819 B9R1.132 OC[C@H]1NC[C@H]([C@@H]1O)O MCULE-3690741497 [0,0,0,1,0,0|2,0,1]=4 820 B9R1.132 OC[C@H]1NC[C@H]([C@H]1O)O MCULE-1695946114 [0,0,0,1,0,0|2,0,1]=4 821 B9R1.132 OC[C@H]1NC[C@H]([C@H]1O)O MCULE-4767198765 [0,0,0,1,0,0|2,0,1]=4 822 B9R1.132 OC[C@H]1NC[C@H]([C@H]1O)O MCULE-7740799111 [0,0,0,1,0,0|2,0,1]=4 823 B9R1.132 OC[C@H]1NC[C@H]([C@H]1O)O MCULE-9816210484 [0,0,0,1,0,0|2,0,1]=4 824 B9R1.132 OC[C@H]1OC[C@@H]([C@@H]1O)O MCULE-2426542638 [0,0,0,1,0,0|1,0,1]=3 825 B9R1.132 OC[C@H]1OC[C@@H]([C@H]1O)O MCULE-2697830391 [0,0,0,1,0,0|1,0,1]=3 826 B9R1.132 OC[C@H]1OC[C@@H]([C@H]1O)O MCULE-3664631398 [0,0,0,1,0,0|1,0,1]=3 827 B9R1.132 OC[C@H]1SC[C@@H]([C@@H]1O)O MCULE-5460809648 [0,0,0,1,0,0|1,1,1]=4 828 B9R0.23 CCC(C)C(N)CC(=O)O MCULE-4327977098 [0,0,0,0,0,1|3,0,0]=4 829 B9R0.23 CCC(C)C(N)CC(=O)O MCULE-9731178196 [0,0,0,0,0,1|3,0,0]=4 830 B9R0.23 CC[C@@H](C)[C@H](N)CC(=O)O MCULE-3497593262 [0,0,0,0,0,1|3,0,0]=4 831 B9R0.23 CC[C@@H](C)[C@H](N)CC(=O)O MCULE-4155901879 [0,0,0,0,0,1|3,0,0]=4 832 B9R0.23 CC[C@@H](C)[C@H](N)CC(=O)O MCULE-8221314475 [0,0,0,0,0,1|3,0,0]=4 833 B9R0.23 CC[C@@H](C)[C@H](N)CC(=O)O MCULE-9196761404 [0,0,0,0,0,1|3,0,0]=4 834 B9R0.23 CC[C@H](C)[C@@H](N)CC(=O)O MCULE-2430009158 [0,0,0,0,0,1|3,0,0]=4 835 B9R0.23 CC[C@H](C)[C@@H](N)CC(=O)O MCULE-9647386489 [0,0,0,0,0,1|3,0,0]=4 836 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O MCULE-2618743733 [0,0,0,0,0,1|3,0,0]=4 837 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O MCULE-5773439736 [0,0,0,0,0,1|3,0,0]=4 838 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O MCULE-6590436922 [0,0,0,0,0,1|3,0,0]=4 839 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O MCULE-9722049324 [0,0,0,0,0,1|3,0,0]=4 840 B9R0.23 O=C(O)C[C@@H](O)[C@@H](O)CO MCULE-5394522095 [0,0,0,0,0,1|0,0,0]=1 841 B9R0.23 O=C(O)C[C@H](O)[C@H](O)CO MCULE-2704229472 [0,0,0,0,0,1|0,0,0]=1 842 B9R0.42 CC(CO)CC(N)C(=O)O MCULE-1659842949 [0,0,0,0,0,1|2,0,0]=3 843 B9R0.42 CCC(C)CC(C)C(=O)O MCULE-6856405301 [0,0,0,0,0,1|3,0,0]=4 844 B9R0.42 CCC(C)CC(N)C(=O)O MCULE-1321158720 [0,0,0,0,0,1|3,0,0]=4 845 B9R0.42 CCC(C)CC(N)C(=O)O MCULE-9833457318 [0,0,0,0,0,1|3,0,0]=4 846 B6R0.1 C=CC(C)CCO MCULE-2890369298 [2,0,0,0,0,0|2,0,0]=4 847 B6R0.1 C=CC(N)CCO MCULE-7781906138 [2,0,0,0,0,0|2,0,0]=4 848 B6R0.1 C=CC(O)CCC MCULE-3664453040 [2,0,0,0,0,0|2,0,0]=4 849 B6R0.1 C=CC(O)CCN MCULE-9346205308 [2,0,0,0,0,0|2,0,0]=4 850 B6R0.1 C=CCC(C)CO MCULE-9174943108 [2,0,0,0,0,0|2,0,0]=4 851 B6R0.1 C=CCC(N)CO MCULE-3854217705 [2,0,0,0,0,0|2,0,0]=4 852 B6R0.1 C=CCC(N)CO MCULE-6104194102 [2,0,0,0,0,0|2,0,0]=4 853 B6R0.1 C=CCC(N)CO MCULE-6473126335 [2,0,0,0,0,0|2,0,0]=4 854 B6R0.1 C=CCC(N)CO MCULE-8430673873 [2,0,0,0,0,0|2,0,0]=4 855 B6R0.1 C=CCC(O)CC MCULE-1497539816 [2,0,0,0,0,0|2,0,0]=4 856 B6R0.1 C=CCC(O)CN MCULE-8237489732 [2,0,0,0,0,0|2,0,0]=4 857 B6R0.1 C=CC[C@@H](N)CO MCULE-1869015815 [2,0,0,0,0,0|2,0,0]=4 858 B6R0.1 C=CC[C@@H](N)CO MCULE-2792980070 [2,0,0,0,0,0|2,0,0]=4 859 B6R0.1 C=CC[C@@H](N)CO MCULE-3168704187 [2,0,0,0,0,0|2,0,0]=4 860 B6R0.1 C=CC[C@@H](N)CO MCULE-4796522209 [2,0,0,0,0,0|2,0,0]=4 861 B6R0.1 C=CC[C@@H](O)CC MCULE-3259102701 [2,0,0,0,0,0|2,0,0]=4 862 B6R0.1 C=CC[C@H](N)CO MCULE-2427943513 [2,0,0,0,0,0|2,0,0]=4 863 B6R0.1 C=CC[C@H](N)CO MCULE-4244461120 [2,0,0,0,0,0|2,0,0]=4 864 B6R0.1 C=CC[C@H](N)CO MCULE-6760610212 [2,0,0,0,0,0|2,0,0]=4 865 B6R0.1 C=CC[C@H](N)CO MCULE-7914934929 [2,0,0,0,0,0|2,0,0]=4 866 B6R0.1 C=CC[C@H](O)CC MCULE-6527977219 [2,0,0,0,0,0|2,0,0]=4 867 B6R0.1 CC(CO)CCO MCULE-5240961149 [2,0,0,0,0,0|1,0,1]=4 868 B6R0.1 CC(CO)CCO MCULE-8678967805 [2,0,0,0,0,0|1,0,1]=4 869 B6R0.1 CCC(C)CC=O MCULE-9143756592 [2,0,0,0,0,0|2,0,0]=4 870 B6R0.1 CCC(O)CCO MCULE-5156075792 [2,0,0,0,0,0|1,0,1]=4 871 B6R0.1 CCCC(C)C=O MCULE-9756444218 [2,0,0,0,0,0|2,0,0]=4 872 B6R0.1 CCCC(O)CO MCULE-5124107719 [2,0,0,0,0,0|1,0,1]=4 873 B6R0.1 CN(C=O)CCO MCULE-3588371476 [2,0,0,0,0,0|2,0,0]=4 874 B6R0.1 CNCC(O)CO MCULE-4566952448 [2,0,0,0,0,0|2,0,0]=4 875 B6R0.1 CNC[C@H](O)CO MCULE-3410453252 [2,0,0,0,0,0|2,0,0]=4 876 B6R0.1 COCC(O)CO MCULE-1154104224 [2,0,0,0,0,0|2,0,0]=4 877 B6R0.1 CSCC(O)CO MCULE-6573013078 [2,0,0,0,0,0|2,0,0]=4 878 B6R0.1 C[C@@H](CO)CCO MCULE-6545491289 [2,0,0,0,0,0|1,0,1]=4 879 B6R0.1 C[C@H](CO)CCO MCULE-2543010074 [2,0,0,0,0,0|1,0,1]=4 880 B6R0.1 C[C@H](CO)CCO MCULE-6036462418 [2,0,0,0,0,0|1,0,1]=4 881 B6R0.1 NC(CO)CCO MCULE-3703088648 [2,0,0,0,0,0|1,0,1]=4 882 B6R0.1 NC(CO)CCO MCULE-7609576462 [2,0,0,0,0,0|1,0,1]=4 883 B6R0.1 NCCC(O)CO MCULE-2556586168 [2,0,0,0,0,0|1,0,1]=4 884 B6R0.1 N[C@@H](CO)CCO MCULE-4583236919 [2,0,0,0,0,0|1,0,1]=4 885 B6R0.1 N[C@@H](CO)CCO MCULE-5489716742 [2,0,0,0,0,0|1,0,1]=4 886 B6R0.1 N[C@H](CO)CCO MCULE-5338659573 [2,0,0,0,0,0|1,0,1]=4 887 B6R0.1 N[C@H](CO)CCO MCULE-8998003003 [2,0,0,0,0,0|1,0,1]=4 888 B6R0.1 O=CC[C@H](O)CCl MCULE-6385696769 [2,0,0,0,0,0|1,0,0]=3 889 B6R0.1 OCCC(O)CCl MCULE-4752952606 [2,0,0,0,0,0|1,0,1]=4 890 B6R0.1 OCCC(O)CO MCULE-6470178852 [2,0,0,0,0,0|0,0,1]=3 891 B6R0.1 OCC[C@@H](Br)CO MCULE-4859199629 [2,0,0,0,0,0|1,0,1]=4 892 B6R0.1 OCC[C@@H](O)CO MCULE-2312093276 [2,0,0,0,0,0|0,0,1]=3 893 B6R0.1 OCC[C@@H](O)CO MCULE-4636748782 [2,0,0,0,0,0|0,0,1]=3 894 B6R0.1 OCC[C@H](O)CBr MCULE-1990035925 [2,0,0,0,0,0|1,0,1]=4 895 B6R0.1 OCC[C@H](O)CCl MCULE-4561806159 [2,0,0,0,0,0|1,0,1]=4 896 B6R0.1 OCC[C@H](O)CCl MCULE-8582759529 [2,0,0,0,0,0|1,0,1]=4 897 B6R0.1 OCC[C@H](O)CO MCULE-2265914374 [2,0,0,0,0,0|0,0,1]=3 898 B6R0.1 OCC[C@H](O)CO MCULE-5459838421 [2,0,0,0,0,0|0,0,1]=3 899 B6R0.2 C=C(C)CC(=O)O MCULE-5404023928 [2,0,0,0,0,0|1,0,1]=4 900 B6R0.2 C=C(C)C[C@@H](C)O MCULE-8518319636 [2,0,0,0,0,0|2,0,0]=4 901 B6R0.2 C=C(C)C[C@H](C)O MCULE-7139115019 [2,0,0,0,0,0|2,0,0]=4 902 B6R0.2 CC(=O)CC(=O)O MCULE-2601276539 [2,0,0,0,0,0|0,0,2]=4 903 B6R0.2 CC(=O)CC(C)C MCULE-2172909634 [2,0,0,0,0,0|2,0,0]=4 904 B6R0.2 CC(=O)CC(C)N MCULE-1028280795 [2,0,0,0,0,0|2,0,0]=4 905 B6R0.2 CC(=O)CC(C)N MCULE-7911343070 [2,0,0,0,0,0|2,0,0]=4 906 B6R0.2 CC(=O)CC(C)O MCULE-5175367575 [2,0,0,0,0,0|1,0,0]=3 907 B6R0.2 CC(=O)C[C@@H](C)N MCULE-1260669737 [2,0,0,0,0,0|2,0,0]=4 908 B6R0.2 CC(=O)C[C@@H](C)N MCULE-6556661125 [2,0,0,0,0,0|2,0,0]=4 909 B6R0.2 CC(Br)CC(=O)O MCULE-3353526571 [2,0,0,0,0,0|1,0,0]=3 910 B6R0.2 CC(C)CC(=O)Cl MCULE-8821231794 [2,0,0,0,0,0|2,0,0]=4 911 B6R0.2 CC(C)CC(=O)N MCULE-7790849976 [2,0,0,0,0,0|2,0,0]=4 912 B6R0.2 CC(C)CC(=O)O MCULE-5805071360 [2,0,0,0,0,0|1,0,0]=3 913 B6R0.2 CC(Cl)CC(=O)Cl MCULE-3323045052 [2,0,0,0,0,0|2,0,0]=4 914 B6R0.2 CC(Cl)CC(=O)O MCULE-1436146199 [2,0,0,0,0,0|1,0,0]=3 915 B6R0.2 CC(F)CC(=O)O MCULE-9214258715 [2,0,0,0,0,0|1,0,0]=3 916 B6R0.2 CC(N)CC(=O)N MCULE-8604112274 [2,0,0,0,0,0|2,0,0]=4 917 B6R0.2 CC(N)CC(=O)N MCULE-8651032460 [2,0,0,0,0,0|2,0,0]=4 918 B6R0.2 CC(N)CC(=O)O MCULE-2960589915 [2,0,0,0,0,0|1,0,0]=3 919 B6R0.2 CC(N)CC(=O)O MCULE-5772407106 [2,0,0,0,0,0|1,0,0]=3 920 B6R0.2 CC(N)CC(=O)O MCULE-7818257350 [2,0,0,0,0,0|1,0,0]=3 921 B6R0.2 CC(N)CC(=O)O MCULE-7847644131 [2,0,0,0,0,0|1,0,0]=3 922 B6R0.2 CC(O)CC(=O)N MCULE-7442557911 [2,0,0,0,0,0|1,0,0]=3 923 B6R0.2 CC(O)CC(=O)O MCULE-3566732882 [2,0,0,0,0,0|0,0,0]=2 924 B6R0.2 CC(O)CC(=O)O MCULE-6537877725 [2,0,0,0,0,0|0,0,0]=2 925 B6R0.2 CC(O)CC(=O)[O-] MCULE-1109368801 [2,0,0,0,0,0|0,0,1]=3 926 B6R0.2 CC(O)CC(=O)[O-] MCULE-5681138302 [2,0,0,0,0,0|0,0,1]=3 927 B6R0.2 CC(O)CC(C)O MCULE-1652556328 [2,0,0,0,0,0|1,0,1]=4 928 B6R0.2 CC(O)CN(=O)=O MCULE-1592317283 [2,0,0,0,0,0|1,0,1]=4 929 B6R0.2 CC(O)CS(=O)C MCULE-2365161952 [2,0,0,0,0,0|2,0,0]=4 930 B6R0.2 CN(C)CC(=O)O MCULE-2303978039 [2,0,0,0,0,0|2,0,0]=4 931 B6R0.2 CN(C)CC(=O)O MCULE-3368936600 [2,0,0,0,0,0|2,0,0]=4 932 B6R0.2 C[C@@H](N)CC(=O)O MCULE-2652696372 [2,0,0,0,0,0|1,0,0]=3 933 B6R0.2 C[C@@H](N)CC(=O)O MCULE-7054489636 [2,0,0,0,0,0|1,0,0]=3 934 B6R0.2 C[C@@H](N)CC(=O)O MCULE-7621851215 [2,0,0,0,0,0|1,0,0]=3 935 B6R0.2 C[C@@H](N)CC(=O)O MCULE-8671397640 [2,0,0,0,0,0|1,0,0]=3 936 B6R0.2 C[C@@H](O)CC(=O)O MCULE-2545577683 [2,0,0,0,0,0|0,0,0]=2 937 B6R0.2 C[C@@H](O)CC(=O)O MCULE-4159227891 [2,0,0,0,0,0|0,0,0]=2 938 B6R0.2 C[C@@H](O)CC(=O)[O-] MCULE-7081161048 [2,0,0,0,0,0|0,0,1]=3 939 B6R0.2 C[C@@H](O)CC(=O)[O-] MCULE-7886150665 [2,0,0,0,0,0|0,0,1]=3 940 B6R0.2 C[C@@H](O)C[C@@H](C)O MCULE-3504626196 [2,0,0,0,0,0|1,0,1]=4 941 B6R0.2 C[C@@H](O)C[C@@H](C)O MCULE-4671148975 [2,0,0,0,0,0|1,0,1]=4 942 B6R0.2 C[C@@H](O)C[C@@H](C)O MCULE-8345849773 [2,0,0,0,0,0|1,0,1]=4 943 B6R0.2 C[C@H](Br)CC(=O)O MCULE-1601745040 [2,0,0,0,0,0|1,0,0]=3 944 B6R0.2 C[C@H](Br)CC(=O)O MCULE-2894930407 [2,0,0,0,0,0|1,0,0]=3 945 B6R0.2 C[C@H](N)CC(=O)O MCULE-2656839691 [2,0,0,0,0,0|1,0,0]=3 946 B6R0.2 C[C@H](N)CC(=O)O MCULE-4695512293 [2,0,0,0,0,0|1,0,0]=3 947 B6R0.2 C[C@H](N)CC(=O)O MCULE-5288044169 [2,0,0,0,0,0|1,0,0]=3 948 B6R0.2 C[C@H](N)CC(=O)O MCULE-6641912058 [2,0,0,0,0,0|1,0,0]=3 949 B6R0.2 C[C@H](O)CC(=O)O MCULE-2857686566 [2,0,0,0,0,0|0,0,0]=2 950 B6R0.2 C[C@H](O)CC(=O)O MCULE-3362266278 [2,0,0,0,0,0|0,0,0]=2 951 B6R0.2 C[C@H](O)CC(=O)[O-] MCULE-3624690550 [2,0,0,0,0,0|0,0,1]=3 952 B6R0.2 C[C@H](O)CC(=O)[O-] MCULE-5550257128 [2,0,0,0,0,0|0,0,1]=3 953 B6R0.2 C[C@H](O)C[C@H](C)O MCULE-1267135444 [2,0,0,0,0,0|1,0,1]=4 954 B6R0.2 C[C@H](O)C[C@H](C)O MCULE-5878966333 [2,0,0,0,0,0|1,0,1]=4 955 B6R0.2 NC(F)CC(=O)O MCULE-1563194776 [2,0,0,0,0,0|2,0,0]=4 956 B6R0.2 NC(F)CC(=O)O MCULE-1655564430 [2,0,0,0,0,0|2,0,0]=4 957 B6R0.2 O=C(O)CB(O)O MCULE-6408403753 [2,0,0,0,0,0|1,0,0]=3 958 B6R0.2 O=C(O)CC(=O)O MCULE-5893043131 [2,0,0,0,0,0|0,0,2]=4 959 B6R0.2 O=C(O)CC(F)F MCULE-9388620099 [2,0,0,0,0,0|2,0,0]=4 960 B6R0.4 C#CCCC(=O)O MCULE-6669146060 [2,0,0,0,0,0|1,0,1]=4 961 B6R0.4 C=C(C)CCCO MCULE-4629274490 [2,0,0,0,0,0|2,0,0]=4 962 B6R0.4 C=C(F)CCCO MCULE-1688645687 [2,0,0,0,0,0|2,0,0]=4 963 B6R0.4 C=CCCC(=O)O MCULE-6221951425 [2,0,0,0,0,0|1,0,1]=4 964 B6R0.4 CC(=O)CCCBr MCULE-7143092097 [2,0,0,0,0,0|2,0,0]=4 965 B6R0.4 CC(=O)CCCCl MCULE-7158553745 [2,0,0,0,0,0|2,0,0]=4 966 B6R0.4 CC(=O)CCCO MCULE-1335342150 [2,0,0,0,0,0|1,0,0]=3 967 B6R0.4 CC(=O)NCCO MCULE-5968518415 [2,0,0,0,0,0|2,0,0]=4 968 B6R0.4 CC(=O)OCCO MCULE-1251660436 [2,0,0,0,0,0|2,0,0]=4 969 B6R0.4 CC(O)CCCO MCULE-6580326052 [2,0,0,0,0,0|1,0,1]=4 970 B6R0.4 CCCCC(=O)Br MCULE-2980405081 [2,0,0,0,0,0|2,0,0]=4 971 B6R0.4 CCCCC(=O)C MCULE-3554390184 [2,0,0,0,0,0|2,0,0]=4 972 B6R0.4 CCCCC(=O)Cl MCULE-3875407102 [2,0,0,0,0,0|2,0,0]=4 973 B6R0.4 CCCCC(=O)N MCULE-6419483436 [2,0,0,0,0,0|2,0,0]=4 974 B6R0.4 CCCCC(=O)O MCULE-2333640078 [2,0,0,0,0,0|1,0,0]=3 975 B6R0.4 CCCCC(=O)[O-] MCULE-4817107962 [2,0,0,0,0,0|1,0,1]=4 976 B6R0.4 CCNCC(=O)O MCULE-5989480216 [2,0,0,0,0,0|2,0,0]=4 977 B6R0.4 CCNCC(=O)O MCULE-8087863397 [2,0,0,0,0,0|2,0,0]=4 978 B6R0.4 CCOCC(=O)O MCULE-1726530898 [2,0,0,0,0,0|2,0,0]=4 979 B6R0.4 CCSCC(=O)O MCULE-7471335718 [2,0,0,0,0,0|2,0,0]=4 980 B6R0.4 CNCCC(=O)O MCULE-3627988097 [2,0,0,0,0,0|2,0,0]=4 981 B6R0.4 CNCCC(=O)O MCULE-9858204248 [2,0,0,0,0,0|2,0,0]=4 982 B6R0.4 COCCC(=O)O MCULE-3436347115 [2,0,0,0,0,0|2,0,0]=4 983 B6R0.4 CSCCC(=O)O MCULE-9550032941 [2,0,0,0,0,0|2,0,0]=4 984 B6R0.4 C[C@@H](O)CCCO MCULE-1658231016 [2,0,0,0,0,0|1,0,1]=4 985 B6R0.4 N#CCCC(=O)O MCULE-3165189228 [2,0,0,0,0,0|1,0,1]=4 986 B6R0.4 NC(=O)CCCCl MCULE-2774705212 [2,0,0,0,0,0|2,0,0]=4 987 B6R0.4 NC(=O)CCCO MCULE-3779341561 [2,0,0,0,0,0|1,0,0]=3 988 B6R0.4 NC(=O)NCCO MCULE-2353513655 [2,0,0,0,0,0|2,0,0]=4 989 B6R0.4 NC(=O)OCCO MCULE-7565460845 [2,0,0,0,0,0|2,0,0]=4 990 B6R0.4 NC(=S)CCCO MCULE-8951145487 [2,0,0,0,0,0|1,1,0]=4 991 B6R0.4 NCCCC(=O)Cl MCULE-1312882775 [2,0,0,0,0,0|2,0,0]=4 992 B6R0.4 NCCCC(=O)Cl MCULE-6405362906 [2,0,0,0,0,0|2,0,0]=4 993 B6R0.4 NCCCC(=O)N MCULE-8039142092 [2,0,0,0,0,0|2,0,0]=4 994 B6R0.4 NCCCC(=O)N MCULE-8262250872 [2,0,0,0,0,0|2,0,0]=4 995 B6R0.4 NCCCC(=O)O MCULE-3615304273 [2,0,0,0,0,0|1,0,0]=3 996 B6R0.4 NCCCC(=O)O MCULE-7613134021 [2,0,0,0,0,0|1,0,0]=3 997 B6R0.4 NOCCC(=O)O MCULE-1529492904 [2,0,0,0,0,0|2,0,0]=4 998 B6R0.4 NOCCC(=O)O MCULE-6297331357 [2,0,0,0,0,0|2,0,0]=4 999 B6R0.4 O=C(Cl)CCCBr MCULE-1389049838 [2,0,0,0,0,0|2,0,0]=4 1000 B6R0.4 O=C(Cl)CCCCl MCULE-5885932072 [2,0,0,0,0,0|2,0,0]=4 1001 B6R0.4 O=C(O)/C=C/CO MCULE-1612823053 [2,0,0,0,0,0|0,0,2]=4 1002 B6R0.4 O=C(O)C#CCO MCULE-1849362182 [2,0,0,0,0,0|0,0,2]=4 1003 B6R0.4 O=C(O)C=CCO MCULE-3375515425 [2,0,0,0,0,0|0,0,2]=4 1004 B6R0.4 O=C(O)CCCBr MCULE-5669825022 [2,0,0,0,0,0|1,0,0]=3 1005 B6R0.4 O=C(O)CCCCl MCULE-7721427391 [2,0,0,0,0,0|1,0,0]=3 1006 B6R0.4 O=C(O)CCCF MCULE-2415675768 [2,0,0,0,0,0|1,0,0]=3 1007 B6R0.4 O=C(O)CCCI MCULE-7794841553 [2,0,0,0,0,0|1,0,0]=3 1008 B6R0.4 O=C(O)CCCS MCULE-3352840152 [2,0,0,0,0,0|0,1,0]=3 1009 B6R0.4 O=C(O)CNCO MCULE-4092998319 [2,0,0,0,0,0|1,0,0]=3 1010 B6R0.4 O=C([O-])CCCCl MCULE-4131322715 [2,0,0,0,0,0|1,0,1]=4 1011 B6R0.4 O=C([O-])CNCO MCULE-2804068565 [2,0,0,0,0,0|1,0,1]=4 1012 B6R0.4 O=CCCC(=O)O MCULE-7183864722 [2,0,0,0,0,0|0,0,2]=4 1013 B6R0.4 O=N(=O)CCCO MCULE-5021681032 [2,0,0,0,0,0|1,0,1]=4 1014 B6R0.3 C#CC(O)C(=O)O MCULE-4214673632 [2,0,0,0,0,0|0,0,2]=4 1015 B6R0.3 C(C)(OC)C(=O)O MCULE-4852209230 [2,0,0,0,0,0|2,0,0]=4 1016 B6R0.3 C(N)(CO)C(=O)N MCULE-5512645571 [2,0,0,0,0,0|2,0,0]=4 1017 B6R0.3 C(N)(CO)C(=O)N MCULE-5852943337 [2,0,0,0,0,0|2,0,0]=4 1018 B6R0.3 C/C=C(\O)/C(=O)O MCULE-9596699660 [2,0,0,0,0,0|0,0,2]=4 1019 B6R0.3 C=C(CC)C(=O)O MCULE-7335567367 [2,0,0,0,0,0|1,0,1]=4 1020 B6R0.3 C=C(CO)C(=O)O MCULE-9731648602 [2,0,0,0,0,0|1,0,1]=4 1021 B6R0.3 C=CC(C)C(C)O MCULE-5639096655 [2,0,0,0,0,0|2,0,0]=4 1022 B6R0.3 C=CC(O)C(=O)O MCULE-3847595710 [2,0,0,0,0,0|0,0,2]=4 1023 B6R0.3 C=CC(O)C(C)C MCULE-2504249276 [2,0,0,0,0,0|2,0,0]=4 1024 B6R0.3 C=C[C@@H](C)[C@@H](C)O MCULE-1946110265 [2,0,0,0,0,0|2,0,0]=4 1025 B6R0.3 C=C[C@@H](C)[C@@H](C)O MCULE-2042493608 [2,0,0,0,0,0|2,0,0]=4 1026 B6R0.3 C=C[C@@H](C)[C@H](C)O MCULE-1482556738 [2,0,0,0,0,0|2,0,0]=4 1027 B6R0.3 C=C[C@H](C)[C@@H](C)O MCULE-4591189626 [2,0,0,0,0,0|2,0,0]=4 1028 B6R0.3 C=C[C@H](C)[C@H](C)O MCULE-2180884086 [2,0,0,0,0,0|2,0,0]=4 1029 B6R0.3 C=C[C@H](C)[C@H](C)O MCULE-2347920403 [2,0,0,0,0,0|2,0,0]=4 1030 B6R0.3 CC(=O)C(C)CO MCULE-9026658672 [2,0,0,0,0,0|2,0,0]=4 1031 B6R0.3 CC(=O)C(N)CO MCULE-4063057020 [2,0,0,0,0,0|2,0,0]=4 1032 B6R0.3 CC(=O)[C@@H](N)CO MCULE-9046372356 [2,0,0,0,0,0|2,0,0]=4 1033 B6R0.3 CC(C)C(Br)C=O MCULE-2054791376 [2,0,0,0,0,0|2,0,0]=4 1034 B6R0.3 CC(C)C(O)CO MCULE-6069815474 [2,0,0,0,0,0|1,0,1]=4 1035 B6R0.3 CC(C)[C@H](N)C=O MCULE-6686967175 [2,0,0,0,0,0|2,0,0]=4 1036 B6R0.3 CC(CBr)C(=O)O MCULE-1430003780 [2,0,0,0,0,0|2,0,0]=4 1037 B6R0.3 CC(CF)C(=O)O MCULE-7390028409 [2,0,0,0,0,0|2,0,0]=4 1038 B6R0.3 CC(CN)C(=O)O MCULE-5485986433 [2,0,0,0,0,0|2,0,0]=4 1039 B6R0.3 CC(CN)C(=O)O MCULE-5638884438 [2,0,0,0,0,0|2,0,0]=4 1040 B6R0.3 CC(CO)C(=O)O MCULE-2772009804 [2,0,0,0,0,0|1,0,0]=3 1041 B6R0.3 CC(CO)C(=O)[O-] MCULE-6956620176 [2,0,0,0,0,0|1,0,1]=4 1042 B6R0.3 CC(CS)C(=O)O MCULE-9982386135 [2,0,0,0,0,0|1,1,0]=4 1043 B6R0.3 CC(N)C(O)CO MCULE-8191126136 [2,0,0,0,0,0|1,0,1]=4 1044 B6R0.3 CC(O)C(C)CO MCULE-4061946423 [2,0,0,0,0,0|1,0,1]=4 1045 B6R0.3 CC(O)C(N)CO MCULE-7733336449 [2,0,0,0,0,0|1,0,1]=4 1046 B6R0.3 CC(O)C(O)CN MCULE-6591390331 [2,0,0,0,0,0|1,0,1]=4 1047 B6R0.3 CC(O)C(O)CO MCULE-1795053551 [2,0,0,0,0,0|0,0,1]=3 1048 B6R0.3 CC=C(O)C(=O)O MCULE-7886990963 [2,0,0,0,0,0|0,0,2]=4 1049 B6R0.3 CCC(=O)C(=O)O MCULE-8360398438 [2,0,0,0,0,0|0,0,2]=4 1050 B6R0.3 CCC(Br)C(=O)Br MCULE-2627972929 [2,0,0,0,0,0|2,0,0]=4 1051 B6R0.3 CCC(Br)C(=O)C MCULE-7759811805 [2,0,0,0,0,0|2,0,0]=4 1052 B6R0.3 CCC(Br)C(=O)Cl MCULE-1448867234 [2,0,0,0,0,0|2,0,0]=4 1053 B6R0.3 CCC(Br)C(=O)N MCULE-5823441392 [2,0,0,0,0,0|2,0,0]=4 1054 B6R0.3 CCC(Br)C(=O)O MCULE-4214463814 [2,0,0,0,0,0|1,0,0]=3 1055 B6R0.3 CCC(C)C(=O)C MCULE-5294244024 [2,0,0,0,0,0|2,0,0]=4 1056 B6R0.3 CCC(C)C(=O)Cl MCULE-3594098886 [2,0,0,0,0,0|2,0,0]=4 1057 B6R0.3 CCC(C)C(=O)N MCULE-9298244547 [2,0,0,0,0,0|2,0,0]=4 1058 B6R0.3 CCC(C)C(=O)O MCULE-5615925204 [2,0,0,0,0,0|1,0,0]=3 1059 B6R0.3 CCC(C)C(=O)O MCULE-7434436828 [2,0,0,0,0,0|1,0,0]=3 1060 B6R0.3 CCC(Cl)C(=O)Cl MCULE-6260726168 [2,0,0,0,0,0|2,0,0]=4 1061 B6R0.3 CCC(Cl)C(=O)N MCULE-7941338456 [2,0,0,0,0,0|2,0,0]=4 1062 B6R0.3 CCC(Cl)C(=O)O MCULE-6325944516 [2,0,0,0,0,0|1,0,0]=3 1063 B6R0.3 CCC(F)C(=O)O MCULE-3947852767 [2,0,0,0,0,0|1,0,0]=3 1064 B6R0.3 CCC(N)C(=O)N MCULE-2662930657 [2,0,0,0,0,0|2,0,0]=4 1065 B6R0.3 CCC(N)C(=O)N MCULE-5136248706 [2,0,0,0,0,0|2,0,0]=4 1066 B6R0.3 CCC(N)C(=O)N MCULE-8876361903 [2,0,0,0,0,0|2,0,0]=4 1067 B6R0.3 CCC(N)C(=O)N MCULE-9704177556 [2,0,0,0,0,0|2,0,0]=4 1068 B6R0.3 CCC(N)C(=O)O MCULE-2132009026 [2,0,0,0,0,0|1,0,0]=3 1069 B6R0.3 CCC(N)C(=O)O MCULE-7397078475 [2,0,0,0,0,0|1,0,0]=3 1070 B6R0.3 CCC(N)C(=O)O MCULE-8052711911 [2,0,0,0,0,0|1,0,0]=3 1071 B6R0.3 CCC(N)C(=O)O MCULE-9815187967 [2,0,0,0,0,0|1,0,0]=3 1072 B6R0.3 CCC(O)C(=O)N MCULE-4290959224 [2,0,0,0,0,0|1,0,0]=3 1073 B6R0.3 CCC(O)C(=O)O MCULE-1958918710 [2,0,0,0,0,0|0,0,0]=2 1074 B6R0.3 CCC(O)C(=O)O MCULE-2006594131 [2,0,0,0,0,0|0,0,0]=2 1075 B6R0.3 CCC(O)C(=O)[O-] MCULE-5297669254 [2,0,0,0,0,0|0,0,1]=3 1076 B6R0.3 CCC(O)C(=O)[O-] MCULE-5740032698 [2,0,0,0,0,0|0,0,1]=3 1077 B6R0.3 CCC(O)C(C)O MCULE-1468922095 [2,0,0,0,0,0|1,0,1]=4 1078 B6R0.3 CCC(S)C(=O)C MCULE-4243782106 [2,0,0,0,0,0|1,1,0]=4 1079 B6R0.3 CCC(S)C(=O)O MCULE-9887370695 [2,0,0,0,0,0|0,1,0]=3 1080 B6R0.3 CCN(O)C(=O)C MCULE-8547381969 [2,0,0,0,0,0|2,0,0]=4 1081 B6R0.3 CC[C@@H](Br)C(=O)O MCULE-3890418201 [2,0,0,0,0,0|1,0,0]=3 1082 B6R0.3 CC[C@@H](Br)C(=O)O MCULE-5910145154 [2,0,0,0,0,0|1,0,0]=3 1083 B6R0.3 CC[C@@H](C)C(=O)N MCULE-3083676357 [2,0,0,0,0,0|2,0,0]=4 1084 B6R0.3 CC[C@@H](C)C(=O)N MCULE-4584753474 [2,0,0,0,0,0|2,0,0]=4 1085 B6R0.3 CC[C@@H](C)C(=O)O MCULE-4225604875 [2,0,0,0,0,0|1,0,0]=3 1086 B6R0.3 CC[C@@H](C)C(=O)O MCULE-6581991788 [2,0,0,0,0,0|1,0,0]=3 1087 B6R0.3 CC[C@@H](Cl)C(=O)O MCULE-2496023102 [2,0,0,0,0,0|1,0,0]=3 1088 B6R0.3 CC[C@@H](Cl)C(=O)O MCULE-9719915588 [2,0,0,0,0,0|1,0,0]=3 1089 B6R0.3 CC[C@@H](N)C(=O)N MCULE-2790345262 [2,0,0,0,0,0|2,0,0]=4 1090 B6R0.3 CC[C@@H](N)C(=O)N MCULE-3501293124 [2,0,0,0,0,0|2,0,0]=4 1091 B6R0.3 CC[C@@H](N)C(=O)N MCULE-4913204798 [2,0,0,0,0,0|2,0,0]=4 1092 B6R0.3 CC[C@@H](N)C(=O)N MCULE-5005994513 [2,0,0,0,0,0|2,0,0]=4 1093 B6R0.3 CC[C@@H](N)C(=O)O MCULE-3824768448 [2,0,0,0,0,0|1,0,0]=3 1094 B6R0.3 CC[C@@H](N)C(=O)O MCULE-7078248621 [2,0,0,0,0,0|1,0,0]=3 1095 B6R0.3 CC[C@@H](N)C(=O)O MCULE-8856363896 [2,0,0,0,0,0|1,0,0]=3 1096 B6R0.3 CC[C@@H](N)C(=O)O MCULE-9662763952 [2,0,0,0,0,0|1,0,0]=3 1097 B6R0.3 CC[C@@H](O)C(=O)O MCULE-8118182602 [2,0,0,0,0,0|0,0,0]=2 1098 B6R0.3 CC[C@@H](O)C(=O)O MCULE-9744322272 [2,0,0,0,0,0|0,0,0]=2 1099 B6R0.3 CC[C@H](Br)C(=O)O MCULE-2859668715 [2,0,0,0,0,0|1,0,0]=3 1100 B6R0.3 CC[C@H](Br)C(=O)O MCULE-9989821197 [2,0,0,0,0,0|1,0,0]=3 1101 B6R0.3 CC[C@H](C)C(=O)O MCULE-5170193492 [2,0,0,0,0,0|1,0,0]=3 1102 B6R0.3 CC[C@H](C)C(=O)O MCULE-6595467867 [2,0,0,0,0,0|1,0,0]=3 1103 B6R0.3 CC[C@H](Cl)C(=O)O MCULE-8870390851 [2,0,0,0,0,0|1,0,0]=3 1104 B6R0.3 CC[C@H](N)C(=O)N MCULE-1934671300 [2,0,0,0,0,0|2,0,0]=4 1105 B6R0.3 CC[C@H](N)C(=O)N MCULE-3034729287 [2,0,0,0,0,0|2,0,0]=4 1106 B6R0.3 CC[C@H](N)C(=O)N MCULE-6902117665 [2,0,0,0,0,0|2,0,0]=4 1107 B6R0.3 CC[C@H](N)C(=O)N MCULE-9419812665 [2,0,0,0,0,0|2,0,0]=4 1108 B6R0.3 CC[C@H](N)C(=O)O MCULE-3597025691 [2,0,0,0,0,0|1,0,0]=3 1109 B6R0.3 CC[C@H](N)C(=O)O MCULE-5445914617 [2,0,0,0,0,0|1,0,0]=3 1110 B6R0.3 CC[C@H](N)C(=O)O MCULE-7781302707 [2,0,0,0,0,0|1,0,0]=3 1111 B6R0.3 CC[C@H](N)C(=O)O MCULE-8446392822 [2,0,0,0,0,0|1,0,0]=3 1112 B6R0.3 CC[C@H](N)C(=[Se])O MCULE-2161876558 [2,0,0,0,0,0|1,1,0]=4 1113 B6R0.3 CC[C@H](N)C(=[Se])O MCULE-6045953433 [2,0,0,0,0,0|1,1,0]=4 1114 B6R0.3 CC[C@H](O)C(=O)O MCULE-4284991317 [2,0,0,0,0,0|0,0,0]=2 1115 B6R0.3 CC[C@H](O)C(=O)O MCULE-6782147427 [2,0,0,0,0,0|0,0,0]=2 1116 B6R0.3 CC[C@H](O)C(=O)[O-] MCULE-6073275709 [2,0,0,0,0,0|0,0,1]=3 1117 B6R0.3 CNC(C)C(=O)O MCULE-4088114502 [2,0,0,0,0,0|2,0,0]=4 1118 B6R0.3 CNC(C)C(=O)O MCULE-7300169560 [2,0,0,0,0,0|2,0,0]=4 1119 B6R0.3 CNC(C)C(=O)O MCULE-8623956615 [2,0,0,0,0,0|2,0,0]=4 1120 B6R0.3 CN[C@@H](C)C(=O)O MCULE-2079366664 [2,0,0,0,0,0|2,0,0]=4 1121 B6R0.3 CN[C@@H](C)C(=O)O MCULE-4072364377 [2,0,0,0,0,0|2,0,0]=4 1122 B6R0.3 CN[C@@H](C)C(=O)O MCULE-4518259073 [2,0,0,0,0,0|2,0,0]=4 1123 B6R0.3 CN[C@@H](C)C(=O)O MCULE-8200069325 [2,0,0,0,0,0|2,0,0]=4 1124 B6R0.3 CN[C@H](C)C(=O)O MCULE-2777429698 [2,0,0,0,0,0|2,0,0]=4 1125 B6R0.3 CN[C@H](C)C(=O)O MCULE-7282734154 [2,0,0,0,0,0|2,0,0]=4 1126 B6R0.3 CN[C@H](C)C(=O)O MCULE-9709122579 [2,0,0,0,0,0|2,0,0]=4 1127 B6R0.3 COC(Br)C(=O)O MCULE-9018983840 [2,0,0,0,0,0|2,0,0]=4 1128 B6R0.3 COC(C)C(=O)O MCULE-8913745653 [2,0,0,0,0,0|2,0,0]=4 1129 B6R0.3 CO[C@@H](C)C(=O)O MCULE-7456458246 [2,0,0,0,0,0|2,0,0]=4 1130 B6R0.3 CO[C@@H](C)C(=O)O MCULE-8108977564 [2,0,0,0,0,0|2,0,0]=4 1131 B6R0.3 CO[C@H](C)C(=O)O MCULE-3078851913 [2,0,0,0,0,0|2,0,0]=4 1132 B6R0.3 CO[C@H](C)C(=O)O MCULE-5370950850 [2,0,0,0,0,0|2,0,0]=4 1133 B6R0.3 CSC(C)C(=O)O MCULE-8062487948 [2,0,0,0,0,0|2,0,0]=4 1134 B6R0.3 C[C@@H](CN)C(=O)O MCULE-4438181090 [2,0,0,0,0,0|2,0,0]=4 1135 B6R0.3 C[C@@H](CN)C(=O)O MCULE-4599481344 [2,0,0,0,0,0|2,0,0]=4 1136 B6R0.3 C[C@@H](CN)C(=O)O MCULE-5826933618 [2,0,0,0,0,0|2,0,0]=4 1137 B6R0.3 C[C@@H](CN)C(=O)O MCULE-5914856504 [2,0,0,0,0,0|2,0,0]=4 1138 B6R0.3 C[C@@H](CO)C(=O)O MCULE-1381224499 [2,0,0,0,0,0|1,0,0]=3 1139 B6R0.3 C[C@@H](CO)C(=O)O MCULE-4599417419 [2,0,0,0,0,0|1,0,0]=3 1140 B6R0.3 C[C@@H](O)[C@@H](N)CO MCULE-1499224916 [2,0,0,0,0,0|1,0,1]=4 1141 B6R0.3 C[C@@H](O)[C@@H](N)CO MCULE-3539522955 [2,0,0,0,0,0|1,0,1]=4 1142 B6R0.3 C[C@@H](O)[C@H](N)CO MCULE-1381786707 [2,0,0,0,0,0|1,0,1]=4 1143 B6R0.3 C[C@@H](O)[C@H](N)CO MCULE-3627537672 [2,0,0,0,0,0|1,0,1]=4 1144 B6R0.3 C[C@@H](O)[C@H](N)CO MCULE-5429038645 [2,0,0,0,0,0|1,0,1]=4 1145 B6R0.3 C[C@@H](O)[C@H](N)CO MCULE-6146168744 [2,0,0,0,0,0|1,0,1]=4 1146 B6R0.3 C[C@H](CN)C(=O)O MCULE-3703540023 [2,0,0,0,0,0|2,0,0]=4 1147 B6R0.3 C[C@H](CN)C(=O)O MCULE-5714771083 [2,0,0,0,0,0|2,0,0]=4 1148 B6R0.3 C[C@H](CN)C(=O)O MCULE-9009901306 [2,0,0,0,0,0|2,0,0]=4 1149 B6R0.3 C[C@H](CN)C(=O)O MCULE-9217365463 [2,0,0,0,0,0|2,0,0]=4 1150 B6R0.3 C[C@H](CO)C(=O)O MCULE-7012562122 [2,0,0,0,0,0|1,0,0]=3 1151 B6R0.3 C[C@H](CO)C(=O)O MCULE-9702865885 [2,0,0,0,0,0|1,0,0]=3 1152 B6R0.3 C[C@H](CO)C(=O)[O-] MCULE-5733737039 [2,0,0,0,0,0|1,0,1]=4 1153 B6R0.3 C[C@H](O)[C@@H](N)CO MCULE-5329315346 [2,0,0,0,0,0|1,0,1]=4 1154 B6R0.3 C[C@H](O)[C@@H](N)CO MCULE-7239426628 [2,0,0,0,0,0|1,0,1]=4 1155 B6R0.3 C[C@H](O)[C@@H](N)CO MCULE-7437797788 [2,0,0,0,0,0|1,0,1]=4 1156 B6R0.3 C[C@H](O)[C@H](N)CO MCULE-2378004602 [2,0,0,0,0,0|1,0,1]=4 1157 B6R0.3 C[C@H](O)[C@H](N)CO MCULE-9436764758 [2,0,0,0,0,0|1,0,1]=4 1158 B6R0.3 NC(=O)C(N)CO MCULE-4842751232 [2,0,0,0,0,0|2,0,0]=4 1159 B6R0.3 NC(=O)C(N)CO MCULE-6854366147 [2,0,0,0,0,0|2,0,0]=4 1160 B6R0.3 NC(=O)[C@@H](N)CO MCULE-2185844038 [2,0,0,0,0,0|2,0,0]=4 1161 B6R0.3 NC(=O)[C@@H](N)CO MCULE-3623516041 [2,0,0,0,0,0|2,0,0]=4 1162 B6R0.3 NC(=O)[C@@H](N)CO MCULE-6218638108 [2,0,0,0,0,0|2,0,0]=4 1163 B6R0.3 NC(=O)[C@H](N)CO MCULE-2061645482 [2,0,0,0,0,0|2,0,0]=4 1164 B6R0.3 NC(=O)[C@H](N)CO MCULE-5920366137 [2,0,0,0,0,0|2,0,0]=4 1165 B6R0.3 NC(=O)[C@H](N)CO MCULE-7612340519 [2,0,0,0,0,0|2,0,0]=4 1166 B6R0.3 NC(=O)[C@H](N)CO MCULE-7734326153 [2,0,0,0,0,0|2,0,0]=4 1167 B6R0.3 NC(CCl)C(=O)O MCULE-1601405489 [2,0,0,0,0,0|2,0,0]=4 1168 B6R0.3 NC(CCl)C(=O)O MCULE-3020306643 [2,0,0,0,0,0|2,0,0]=4 1169 B6R0.3 NC(CCl)C(=O)O MCULE-5440349631 [2,0,0,0,0,0|2,0,0]=4 1170 B6R0.3 NC(CF)C(=O)O MCULE-3274339636 [2,0,0,0,0,0|2,0,0]=4 1171 B6R0.3 NC(CO)C(=O)O MCULE-2425237422 [2,0,0,0,0,0|1,0,0]=3 1172 B6R0.3 NC(CO)C(=O)O MCULE-6460387318 [2,0,0,0,0,0|1,0,0]=3 1173 B6R0.3 NC(CS)C(=O)O MCULE-1666411258 [2,0,0,0,0,0|1,1,0]=4 1174 B6R0.3 NC(CS)C(=O)O MCULE-2938329352 [2,0,0,0,0,0|1,1,0]=4 1175 B6R0.3 NC(CS)C(=O)O MCULE-7203902929 [2,0,0,0,0,0|1,1,0]=4 1176 B6R0.3 NC(CS)C(=O)O MCULE-7790846545 [2,0,0,0,0,0|1,1,0]=4 1177 B6R0.3 NCC(Br)C(=O)O MCULE-2289205408 [2,0,0,0,0,0|2,0,0]=4 1178 B6R0.3 NCC(Br)C(=O)O MCULE-9361399143 [2,0,0,0,0,0|2,0,0]=4 1179 B6R0.3 NCC(F)C(=O)O MCULE-5666887061 [2,0,0,0,0,0|2,0,0]=4 1180 B6R0.3 NCC(F)C(=O)O MCULE-6134707533 [2,0,0,0,0,0|2,0,0]=4 1181 B6R0.3 NCC(N)C(=O)O MCULE-1867799207 [2,0,0,0,0,0|2,0,0]=4 1182 B6R0.3 NCC(N)C(=O)O MCULE-4853376364 [2,0,0,0,0,0|2,0,0]=4 1183 B6R0.3 NCC(N)C(=O)O MCULE-7636331821 [2,0,0,0,0,0|2,0,0]=4 1184 B6R0.3 NCC(N)C(=O)O MCULE-7735444546 [2,0,0,0,0,0|2,0,0]=4 1185 B6R0.3 NCC(N)C(=O)O MCULE-9197553017 [2,0,0,0,0,0|2,0,0]=4 1186 B6R0.3 NCC(O)C(=O)N MCULE-1543465850 [2,0,0,0,0,0|2,0,0]=4 1187 B6R0.3 NCC(O)C(=O)N MCULE-9574499203 [2,0,0,0,0,0|2,0,0]=4 1188 B6R0.3 NCC(O)C(=O)O MCULE-2137675488 [2,0,0,0,0,0|1,0,0]=3 1189 B6R0.3 NCC(O)C(=O)O MCULE-3348306437 [2,0,0,0,0,0|1,0,0]=3 1190 B6R0.3 NC[C@@H](F)C(=O)O MCULE-3544959183 [2,0,0,0,0,0|2,0,0]=4 1191 B6R0.3 NC[C@@H](F)C(=O)O MCULE-4122418685 [2,0,0,0,0,0|2,0,0]=4 1192 B6R0.3 NC[C@@H](F)C(=O)O MCULE-8592364466 [2,0,0,0,0,0|2,0,0]=4 1193 B6R0.3 NC[C@@H](F)C(=O)O MCULE-9106826144 [2,0,0,0,0,0|2,0,0]=4 1194 B6R0.3 NC[C@@H](N)C(=O)O MCULE-5363126654 [2,0,0,0,0,0|2,0,0]=4 1195 B6R0.3 NC[C@@H](N)C(=O)O MCULE-8998345978 [2,0,0,0,0,0|2,0,0]=4 1196 B6R0.3 NC[C@@H](N)C(=O)O MCULE-9125384126 [2,0,0,0,0,0|2,0,0]=4 1197 B6R0.3 NC[C@@H](O)C(=O)O MCULE-5922773276 [2,0,0,0,0,0|1,0,0]=3 1198 B6R0.3 NC[C@@H](O)C(=O)O MCULE-8921832932 [2,0,0,0,0,0|1,0,0]=3 1199 B6R0.3 NC[C@H](F)C(=O)O MCULE-2695037152 [2,0,0,0,0,0|2,0,0]=4 1200 B6R0.3 NC[C@H](F)C(=O)O MCULE-4323150722 [2,0,0,0,0,0|2,0,0]=4 1201 B6R0.3 NC[C@H](F)C(=O)O MCULE-6701791437 [2,0,0,0,0,0|2,0,0]=4 1202 B6R0.3 NC[C@H](F)C(=O)O MCULE-7674783008 [2,0,0,0,0,0|2,0,0]=4 1203 B6R0.3 NC[C@H](N)C(=O)O MCULE-1389567062 [2,0,0,0,0,0|2,0,0]=4 1204 B6R0.3 NC[C@H](N)C(=O)O MCULE-1833064192 [2,0,0,0,0,0|2,0,0]=4 1205 B6R0.3 NC[C@H](N)C(=O)O MCULE-2347369254 [2,0,0,0,0,0|2,0,0]=4 1206 B6R0.3 NC[C@H](N)C(=O)O MCULE-2781423323 [2,0,0,0,0,0|2,0,0]=4 1207 B6R0.3 NC[C@H](N)C(=O)O MCULE-6498458695 [2,0,0,0,0,0|2,0,0]=4 1208 B6R0.3 NC[C@H](N)C(=O)O MCULE-8313668715 [2,0,0,0,0,0|2,0,0]=4 1209 B6R0.3 NC[C@H](O)C(=O)O MCULE-5854124012 [2,0,0,0,0,0|1,0,0]=3 1210 B6R0.3 NC[C@H](O)C(=O)O MCULE-7536593166 [2,0,0,0,0,0|1,0,0]=3 1211 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-2896868744 [2,0,0,0,0,0|2,0,0]=4 1212 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-5799339909 [2,0,0,0,0,0|2,0,0]=4 1213 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-7445121230 [2,0,0,0,0,0|2,0,0]=4 1214 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-9137000163 [2,0,0,0,0,0|2,0,0]=4 1215 B6R0.3 N[C@@H](CO)C(=O)O MCULE-4580794842 [2,0,0,0,0,0|1,0,0]=3 1216 B6R0.3 N[C@@H](CO)C(=O)O MCULE-5604658333 [2,0,0,0,0,0|1,0,0]=3 1217 B6R0.3 N[C@@H](CO)C(=O)O MCULE-5884286841 [2,0,0,0,0,0|1,0,0]=3 1218 B6R0.3 N[C@@H](CO)C(=O)O MCULE-6118038121 [2,0,0,0,0,0|1,0,0]=3 1219 B6R0.3 N[C@@H](CS)C(=O)O MCULE-1896679526 [2,0,0,0,0,0|1,1,0]=4 1220 B6R0.3 N[C@@H](CS)C(=O)O MCULE-2206038012 [2,0,0,0,0,0|1,1,0]=4 1221 B6R0.3 N[C@@H](CS)C(=O)O MCULE-6337217524 [2,0,0,0,0,0|1,1,0]=4 1222 B6R0.3 N[C@@H](CS)C(=O)O MCULE-9685479191 [2,0,0,0,0,0|1,1,0]=4 1223 B6R0.3 N[C@H](CCl)C(=O)O MCULE-2647266636 [2,0,0,0,0,0|2,0,0]=4 1224 B6R0.3 N[C@H](CCl)C(=O)O MCULE-7797369596 [2,0,0,0,0,0|2,0,0]=4 1225 B6R0.3 N[C@H](CCl)C(=O)O MCULE-8133148482 [2,0,0,0,0,0|2,0,0]=4 1226 B6R0.3 N[C@H](CCl)C(=O)O MCULE-9324545858 [2,0,0,0,0,0|2,0,0]=4 1227 B6R0.3 N[C@H](CF)C(=O)O MCULE-4766495272 [2,0,0,0,0,0|2,0,0]=4 1228 B6R0.3 N[C@H](CF)C(=O)O MCULE-7679315401 [2,0,0,0,0,0|2,0,0]=4 1229 B6R0.3 N[C@H](CO)C(=O)O MCULE-3271603208 [2,0,0,0,0,0|1,0,0]=3 1230 B6R0.3 N[C@H](CO)C(=O)O MCULE-8560981570 [2,0,0,0,0,0|1,0,0]=3 1231 B6R0.3 N[C@H](CS)C(=O)O MCULE-2137827959 [2,0,0,0,0,0|1,1,0]=4 1232 B6R0.3 N[C@H](CS)C(=O)O MCULE-4521387126 [2,0,0,0,0,0|1,1,0]=4 1233 B6R0.3 N[C@H](CS)C(=O)O MCULE-7201506202 [2,0,0,0,0,0|1,1,0]=4 1234 B6R0.3 N[C@H](CS)C(=O)O MCULE-9147562606 [2,0,0,0,0,0|1,1,0]=4 1235 B6R0.3 O=C(O)C(=O)CO MCULE-2263002631 [2,0,0,0,0,0|0,0,2]=4 1236 B6R0.3 O=C(O)C(Br)CBr MCULE-9991448725 [2,0,0,0,0,0|2,0,0]=4 1237 B6R0.3 O=C(O)C(Br)CF MCULE-6577995297 [2,0,0,0,0,0|2,0,0]=4 1238 B6R0.3 O=C(O)C(Br)CO MCULE-9060407295 [2,0,0,0,0,0|1,0,0]=3 1239 B6R0.3 O=C(O)C(Cl)CCl MCULE-4757238565 [2,0,0,0,0,0|2,0,0]=4 1240 B6R0.3 O=C(O)C(Cl)CO MCULE-3671026398 [2,0,0,0,0,0|1,0,0]=3 1241 B6R0.3 O=C(O)C(F)CF MCULE-4323199927 [2,0,0,0,0,0|2,0,0]=4 1242 B6R0.3 O=C(O)C(O)CBr MCULE-2600199692 [2,0,0,0,0,0|1,0,0]=3 1243 B6R0.3 O=C(O)C(O)CCl MCULE-6346810624 [2,0,0,0,0,0|1,0,0]=3 1244 B6R0.3 O=C(O)C(O)CO MCULE-3634533503 [2,0,0,0,0,0|0,0,0]=2 1245 B6R0.3 O=C(O)[C@@H](Br)CO MCULE-4486884639 [2,0,0,0,0,0|1,0,0]=3 1246 B6R0.3 O=C(O)[C@@H](Br)CO MCULE-8586594526 [2,0,0,0,0,0|1,0,0]=3 1247 B6R0.3 O=C(O)[C@@H](O)CCl MCULE-4927034524 [2,0,0,0,0,0|1,0,0]=3 1248 B6R0.3 O=C(O)[C@@H](O)CO MCULE-4917119993 [2,0,0,0,0,0|0,0,0]=2 1249 B6R0.3 O=C(O)[C@@H](O)CO MCULE-7996851129 [2,0,0,0,0,0|0,0,0]=2 1250 B6R0.3 O=C(O)[C@H](Br)CO MCULE-3770944978 [2,0,0,0,0,0|1,0,0]=3 1251 B6R0.3 O=C(O)[C@H](Br)CO MCULE-6926119866 [2,0,0,0,0,0|1,0,0]=3 1252 B6R0.3 O=C(O)[C@H](O)CF MCULE-4453713074 [2,0,0,0,0,0|1,0,0]=3 1253 B6R0.3 O=C([O-])[C@@H](O)CO MCULE-4498291090 [2,0,0,0,0,0|0,0,1]=3 1254 B6R0.3 OC[C@@H](O)C(F)F MCULE-5042610356 [2,0,0,0,0,0|2,0,0]=4 1255 B6R0.3 OC[C@@H](O)C(F)F MCULE-8643910063 [2,0,0,0,0,0|2,0,0]=4 1256 B6R0.3 [C@@H](N)(CN)C(=O)O MCULE-2844054083 [2,0,0,0,0,0|2,0,0]=4 1257 B6R0.3 [C@H](C)(NC)C(=O)O MCULE-3677465746 [2,0,0,0,0,0|2,0,0]=4 1258 B6R0.3 [C@H](N)(CO)C(=O)N MCULE-2792784400 [2,0,0,0,0,0|2,0,0]=4 1259 B6R0.3 [C@H](S)(CC)C(=O)O MCULE-4267293279 [2,0,0,0,0,0|0,1,0]=3 1260 B6R0.3 [SeH]C[C@H](N)C(=O)O MCULE-8205075370 [2,0,0,0,0,0|1,1,0]=4 1261 B8R0.5 C#CCC(N)CC(=O)O MCULE-2010410671 [1,1,0,0,0,0|2,0,0]=4 1262 B8R0.5 C#CCC(N)CC(=O)O MCULE-9655976746 [1,1,0,0,0,0|2,0,0]=4 1263 B8R0.5 C#CC[C@@H](N)CC(=O)O MCULE-1849013560 [1,1,0,0,0,0|2,0,0]=4 1264 B8R0.5 C#CC[C@@H](N)CC(=O)O MCULE-5050240935 [1,1,0,0,0,0|2,0,0]=4 1265 B8R0.5 C#CC[C@@H](N)CC(=O)O MCULE-7394019004 [1,1,0,0,0,0|2,0,0]=4 1266 B8R0.5 C#CC[C@@H](N)CC(=O)O MCULE-8376747540 [1,1,0,0,0,0|2,0,0]=4 1267 B8R0.5 C#CC[C@H](N)CC(=O)O MCULE-1446527937 [1,1,0,0,0,0|2,0,0]=4 1268 B8R0.5 C#CC[C@H](N)CC(=O)O MCULE-4559086818 [1,1,0,0,0,0|2,0,0]=4 1269 B8R0.5 C#CC[C@H](N)CC(=O)O MCULE-5154381271 [1,1,0,0,0,0|2,0,0]=4 1270 B8R0.5 C#CC[C@H](N)CC(=O)O MCULE-9666448400 [1,1,0,0,0,0|2,0,0]=4 1271 B8R0.5 C/C=C/C(O)CC(=O)O MCULE-3416519692 [1,1,0,0,0,0|1,0,1]=4 1272 B8R0.5 C=CCC(N)CC(=O)O MCULE-1468461223 [1,1,0,0,0,0|2,0,0]=4 1273 B8R0.5 C=CCC(N)CC(=O)O MCULE-3288937491 [1,1,0,0,0,0|2,0,0]=4 1274 B8R0.5 C=CCC(N)CC(=O)O MCULE-4022730599 [1,1,0,0,0,0|2,0,0]=4 1275 B8R0.5 C=CCC(N)CC(=O)O MCULE-5843795649 [1,1,0,0,0,0|2,0,0]=4 1276 B8R0.5 C=CC[C@@H](N)CC(=O)O MCULE-4754294062 [1,1,0,0,0,0|2,0,0]=4 1277 B8R0.5 C=CC[C@@H](N)CC(=O)O MCULE-7831408077 [1,1,0,0,0,0|2,0,0]=4 1278 B8R0.5 C=CC[C@@H](N)CC(=O)O MCULE-8503288377 [1,1,0,0,0,0|2,0,0]=4 1279 B8R0.5 C=CC[C@@H](N)CC(=O)O MCULE-9398972010 [1,1,0,0,0,0|2,0,0]=4 1280 B8R0.5 C=CC[C@H](N)CC(=O)O MCULE-1784444892 [1,1,0,0,0,0|2,0,0]=4 1281 B8R0.5 C=CC[C@H](N)CC(=O)O MCULE-3247296447 [1,1,0,0,0,0|2,0,0]=4 1282 B8R0.5 C=CC[C@H](N)CC(=O)O MCULE-5484030094 [1,1,0,0,0,0|2,0,0]=4 1283 B8R0.5 C=CC[C@H](N)CC(=O)O MCULE-8982980423 [1,1,0,0,0,0|2,0,0]=4 1284 B8R0.5 CC(O)CC(O)CCO MCULE-4888514297 [1,1,0,0,0,0|1,0,1]=4 1285 B8R0.5 CC=CC(O)CC(=O)O MCULE-9449456878 [1,1,0,0,0,0|1,0,1]=4 1286 B8R0.5 CCCC(C)CC(=O)O MCULE-6002154473 [1,1,0,0,0,0|2,0,0]=4 1287 B8R0.5 CCCC(N)CC(=O)O MCULE-1356349547 [1,1,0,0,0,0|2,0,0]=4 1288 B8R0.5 CCCC(N)CC(=O)O MCULE-4946770886 [1,1,0,0,0,0|2,0,0]=4 1289 B8R0.5 CCCC(N)CC(=O)O MCULE-5502250330 [1,1,0,0,0,0|2,0,0]=4 1290 B8R0.5 CCCC(N)CC(=O)O MCULE-9959180111 [1,1,0,0,0,0|2,0,0]=4 1291 B8R0.5 CCCC(O)CC(=O)O MCULE-3158579605 [1,1,0,0,0,0|1,0,0]=3 1292 B8R0.5 CCC[C@@H](N)CC(=O)O MCULE-9961668094 [1,1,0,0,0,0|2,0,0]=4 1293 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-1726586898 [1,1,0,0,0,0|2,0,0]=4 1294 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-5359238908 [1,1,0,0,0,0|2,0,0]=4 1295 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-5593873511 [1,1,0,0,0,0|2,0,0]=4 1296 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-7588873691 [1,1,0,0,0,0|2,0,0]=4 1297 B8R0.5 CCNC(C)CC(=O)O MCULE-2938286546 [1,1,0,0,0,0|2,0,0]=4 1298 B8R0.5 CCNC(C)CC(=O)O MCULE-4848873654 [1,1,0,0,0,0|2,0,0]=4 1299 B8R0.5 CCSC(C)CC(=O)O MCULE-9735540046 [1,1,0,0,0,0|2,0,0]=4 1300 B8R0.5 CN(CCO)CC(=O)O MCULE-9266824629 [1,1,0,0,0,0|2,0,0]=4 1301 B8R0.5 CNCC(O)CC(=O)O MCULE-4502865855 [1,1,0,0,0,0|1,0,0]=3 1302 B8R0.5 CNCC(O)CC(=O)O MCULE-5628718703 [1,1,0,0,0,0|1,0,0]=3 1303 B8R0.5 COCC(C)CC(=O)O MCULE-7551495663 [1,1,0,0,0,0|1,0,0]=3 1304 B8R0.5 NCCC(O)CC(=O)O MCULE-3095949832 [1,1,0,0,0,0|1,0,0]=3 1305 B8R0.5 NCCC(O)CC(=O)O MCULE-8864780829 [1,1,0,0,0,0|1,0,0]=3 1306 B8R0.16 C=CC(CC)CC(=O)O MCULE-3976460208 [1,1,0,0,0,0|2,0,0]=4 1307 B8R0.16 CC(=O)NC(CO)CO MCULE-5276694510 [1,1,0,0,0,0|2,0,0]=4 1308 B8R0.16 CCC(CC(=O)N)OC MCULE-9685044533 [1,1,0,0,0,0|2,0,0]=4 1309 B8R0.16 CCC(CC(=O)O)OC MCULE-7066116722 [1,1,0,0,0,0|1,0,0]=3 1310 B8R0.16 CCC(CC(=O)O)SC MCULE-6546556452 [1,1,0,0,0,0|1,1,0]=4 1311 B8R0.16 CCC(CC)CC(=O)O MCULE-1604696319 [1,1,0,0,0,0|2,0,0]=4 1312 B8R0.16 COC(CC(=O)O)OC MCULE-5378328171 [1,1,0,0,0,0|2,0,0]=4 1313 B8R0.16 COC(CN)CC(=O)O MCULE-5640667137 [1,1,0,0,0,0|1,0,0]=3 1314 B8R0.16 COC(CN)CC(=O)O MCULE-6451369002 [1,1,0,0,0,0|1,0,0]=3 1315 B8R0.16 NCC(CO)CC(=O)O MCULE-2939268634 [1,1,0,0,0,0|1,0,0]=3 1316 B8R0.19 C(O)(CC)CC(=O)OC MCULE-6615199457 [1,1,0,0,0,0|1,0,0]=3 1317 B8R0.19 CCC(C)CC(=O)OC MCULE-6040162942 [1,1,0,0,0,0|2,0,0]=4 1318 B8R0.19 CCC(N)CC(=O)OC MCULE-4861062224 [1,1,0,0,0,0|2,0,0]=4 1319 B8R0.19 CCC(N)CC(=O)OC MCULE-5474414259 [1,1,0,0,0,0|2,0,0]=4 1320 B8R0.19 CCC(N)CC(=O)OC MCULE-6614411962 [1,1,0,0,0,0|2,0,0]=4 1321 B8R0.19 CCC(N)CC(=O)OC MCULE-8833088600 [1,1,0,0,0,0|2,0,0]=4 1322 B8R0.19 CC[C@@H](N)CC(=O)OC MCULE-2253918492 [1,1,0,0,0,0|2,0,0]=4 1323 B8R0.19 CC[C@@H](O)CC(=O)OC MCULE-7264527834 [1,1,0,0,0,0|1,0,0]=3 1324 B8R0.19 CC[C@@H](O)CC(=O)OC MCULE-8077794874 [1,1,0,0,0,0|1,0,0]=3 1325 B8R0.19 CC[C@H](N)CC(=O)OC MCULE-1636989319 [1,1,0,0,0,0|2,0,0]=4 1326 B8R0.19 CC[C@H](N)CC(=O)OC MCULE-6253948831 [1,1,0,0,0,0|2,0,0]=4 1327 B8R0.19 CC[C@H](N)CC(=O)OC MCULE-7924708820 [1,1,0,0,0,0|2,0,0]=4 1328 B8R0.19 CC[C@H](N)CC(=O)OC MCULE-8911472049 [1,1,0,0,0,0|2,0,0]=4 1329 B8R0.19 CC[C@H](O)CC(=O)OC MCULE-3861554927 [1,1,0,0,0,0|1,0,0]=3 1330 B8R0.19 CC[C@H](O)CC(=O)OC MCULE-6307000918 [1,1,0,0,0,0|1,0,0]=3 1331 B8R0.19 COC(=O)CC(C)CBr MCULE-9170421446 [1,1,0,0,0,0|2,0,0]=4 1332 B8R0.19 COC(=O)CC(N)CN MCULE-3079708048 [1,1,0,0,0,0|2,0,0]=4 1333 B8R0.19 COC(=O)CC(N)CN MCULE-5046271852 [1,1,0,0,0,0|2,0,0]=4 1334 B8R0.19 COC(=O)CC(N)CO MCULE-4803123890 [1,1,0,0,0,0|1,0,0]=3 1335 B8R0.19 COC(=O)CC(N)CO MCULE-5372024399 [1,1,0,0,0,0|1,0,0]=3 1336 B8R0.19 COC(=O)CC(O)CCl MCULE-3924993874 [1,1,0,0,0,0|1,0,0]=3 1337 B8R0.19 COC(=O)CC(O)CN MCULE-6633164904 [1,1,0,0,0,0|1,0,0]=3 1338 B8R0.19 COC(=O)CC(O)CN MCULE-6973205945 [1,1,0,0,0,0|1,0,0]=3 1339 B8R0.19 COC(=O)CC(O)CO MCULE-1721395490 [1,1,0,0,0,0|0,0,0]=2 1340 B8R0.19 COC(=O)CC(O)CO MCULE-7578547932 [1,1,0,0,0,0|0,0,0]=2 1341 B8R0.19 COC(=O)C[C@@H](O)CCl MCULE-2437500598 [1,1,0,0,0,0|1,0,0]=3 1342 B8R0.19 COC(=O)C[C@@H](O)CCl MCULE-2535323310 [1,1,0,0,0,0|1,0,0]=3 1343 B8R0.19 COC(=O)C[C@H](O)CCl MCULE-2232290900 [1,1,0,0,0,0|1,0,0]=3 1344 B8R0.19 COC(=O)C[C@H](O)CCl MCULE-2298624118 [1,1,0,0,0,0|1,0,0]=3 1345 B8R0.19 COC(=O)C[C@H](O)CO MCULE-3243102477 [1,1,0,0,0,0|0,0,0]=2 1346 B8R0.19 COC(=O)C[C@H](O)CO MCULE-7538479392 [1,1,0,0,0,0|0,0,0]=2 1347 B8R0.19 NNC(=O)CC(O)CCl MCULE-4502390137 [1,1,0,0,0,0|2,0,0]=4 1348 B8R0.19 O=C(CO)CC(O)CO MCULE-2853556664 [1,1,0,0,0,0|0,0,0]=2 1349 B8R0.19 [C@@H](N)(CC)CC(=O)OC MCULE-3287738066 [1,1,0,0,0,0|2,0,0]=4 1350 B8R0.23 C=C(C)[C@@H](O)CC(=O)O MCULE-9399932923 [1,1,0,0,0,0|1,0,1]=4 1351 B8R0.23 CC(=O)CC(O)C(=O)O MCULE-4728629069 [1,1,0,0,0,0|1,0,1]=4 1352 B8R0.23 CC(=O)CC(O)[C@H](C)N MCULE-3417979643 [1,1,0,0,0,0|2,0,0]=4 1353 B8R0.23 CC(C)C(C)CC(=O)O MCULE-8256978568 [1,1,0,0,0,0|2,0,0]=4 1354 B8R0.23 CC(C)C(N)CC(=O)O MCULE-1591106639 [1,1,0,0,0,0|2,0,0]=4 1355 B8R0.23 CC(C)C(N)CC(=O)O MCULE-2785677086 [1,1,0,0,0,0|2,0,0]=4 1356 B8R0.23 CC(C)C(N)CC(=O)O MCULE-7741390676 [1,1,0,0,0,0|2,0,0]=4 1357 B8R0.23 CC(C)C(N)CC(=O)O MCULE-7820976140 [1,1,0,0,0,0|2,0,0]=4 1358 B8R0.23 CC(C)C(O)CC(=O)O MCULE-2577623422 [1,1,0,0,0,0|1,0,0]=3 1359 B8R0.23 CC(C)[C@@H](N)CC(=O)O MCULE-4128027229 [1,1,0,0,0,0|2,0,0]=4 1360 B8R0.23 CC(C)[C@@H](N)CC(=O)O MCULE-5111030586 [1,1,0,0,0,0|2,0,0]=4 1361 B8R0.23 CC(C)[C@@H](N)CC(=O)O MCULE-7447469347 [1,1,0,0,0,0|2,0,0]=4 1362 B8R0.23 CC(C)[C@@H](N)CC(=O)O MCULE-8228659608 [1,1,0,0,0,0|2,0,0]=4 1363 B8R0.23 CC(C)[C@@H](O)CC(=O)O MCULE-6946774834 [1,1,0,0,0,0|1,0,0]=3 1364 B8R0.23 CC(C)[C@H](N)CC(=O)O MCULE-2362404476 [1,1,0,0,0,0|2,0,0]=4 1365 B8R0.23 CC(C)[C@H](N)CC(=O)O MCULE-4006103633 [1,1,0,0,0,0|2,0,0]=4 1366 B8R0.23 CC(C)[C@H](N)CC(=O)O MCULE-8085621397 [1,1,0,0,0,0|2,0,0]=4 1367 B8R0.23 CC(C)[C@H](N)CC(=O)O MCULE-8783742568 [1,1,0,0,0,0|2,0,0]=4 1368 B8R0.23 CC(CC(=O)O)C(=O)O MCULE-4824634360 [1,1,0,0,0,0|1,0,1]=4 1369 B8R0.23 CC(CC(=O)O)C(=O)O MCULE-8116748590 [1,1,0,0,0,0|1,0,1]=4 1370 B8R0.23 CC(CC(=O)O)C(F)F MCULE-1349015136 [1,1,0,0,0,0|2,0,0]=4 1371 B8R0.23 CC(O)C(N)CC(=O)O MCULE-5161755443 [1,1,0,0,0,0|1,0,0]=3 1372 B8R0.23 CC(O)C(N)CC(=O)O MCULE-6370326858 [1,1,0,0,0,0|1,0,0]=3 1373 B8R0.23 C[C@@H](CC(=O)O)C(=O)O MCULE-1711994689 [1,1,0,0,0,0|1,0,1]=4 1374 B8R0.23 C[C@@H](CC(=O)O)C(=O)O MCULE-6107805812 [1,1,0,0,0,0|1,0,1]=4 1375 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-1416044737 [1,1,0,0,0,0|1,0,0]=3 1376 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-2990511228 [1,1,0,0,0,0|1,0,0]=3 1377 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-3178455647 [1,1,0,0,0,0|1,0,0]=3 1378 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-4413833682 [1,1,0,0,0,0|1,0,0]=3 1379 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-7332826518 [1,1,0,0,0,0|1,0,0]=3 1380 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-7552978009 [1,1,0,0,0,0|1,0,0]=3 1381 B8R0.23 C[C@H](CC(=O)O)C(=O)O MCULE-2738295504 [1,1,0,0,0,0|1,0,1]=4 1382 B8R0.23 C[C@H](CC(=O)O)C(=O)O MCULE-4544789339 [1,1,0,0,0,0|1,0,1]=4 1383 B8R0.23 C[C@H](O)[C@@H](N)CC(=O)O MCULE-8673070329 [1,1,0,0,0,0|1,0,0]=3 1384 B8R0.23 NC(CC(=O)O)C(=O)O MCULE-1247865301 [1,1,0,0,0,0|1,0,1]=4 1385 B8R0.23 NC(CC(=O)O)C(=O)O MCULE-9328817309 [1,1,0,0,0,0|1,0,1]=4 1386 B8R0.23 N[C@@H](CC(=O)O)C(=O)O MCULE-3710241722 [1,1,0,0,0,0|1,0,1]=4 1387 B8R0.23 N[C@@H](CC(=O)O)C(=O)O MCULE-6700641640 [1,1,0,0,0,0|1,0,1]=4 1388 B8R0.23 N[C@H](CC(=O)O)C(=O)O MCULE-8102700760 [1,1,0,0,0,0|1,0,1]=4 1389 B8R0.23 O=C(O)CC(Br)C(=O)O MCULE-8178780603 [1,1,0,0,0,0|1,0,1]=4 1390 B8R0.23 O=C(O)CC(Cl)C(=O)O MCULE-6357456691 [1,1,0,0,0,0|1,0,1]=4 1391 B8R0.23 O=C(O)CC(F)C(=O)O MCULE-8433198001 [1,1,0,0,0,0|1,0,1]=4 1392 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-5852208511 [1,1,0,0,0,0|0,0,1]=3 1393 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-9713558868 [1,1,0,0,0,0|0,0,1]=3 1394 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-9924961830 [1,1,0,0,0,0|0,0,1]=3 1395 B8R0.23 O=C(O)CC(S)C(=O)O MCULE-7005300961 [1,1,0,0,0,0|0,1,1]=4 1396 B8R0.23 O=C(O)C[C@@H](Br)C(=O)O MCULE-4598056907 [1,1,0,0,0,0|1,0,1]=4 1397 B8R0.23 O=C(O)C[C@@H](Br)C(=O)O MCULE-7861798045 [1,1,0,0,0,0|1,0,1]=4 1398 B8R0.23 O=C(O)C[C@@H](O)C(=O)O MCULE-2239273084 [1,1,0,0,0,0|0,0,1]=3 1399 B8R0.23 O=C(O)C[C@@H](O)C(=O)O MCULE-4984266891 [1,1,0,0,0,0|0,0,1]=3 1400 B8R0.23 O=C(O)C[C@H](Br)C(=O)O MCULE-6763472515 [1,1,0,0,0,0|1,0,1]=4 1401 B8R0.23 O=C(O)C[C@H](Br)C(=O)O MCULE-7524683930 [1,1,0,0,0,0|1,0,1]=4 1402 B8R0.23 O=C(O)C[C@H](F)C(=O)O MCULE-9607625100 [1,1,0,0,0,0|1,0,1]=4 1403 B8R0.23 O=C(O)C[C@H](O)C(=O)O MCULE-8339271078 [1,1,0,0,0,0|0,0,1]=3 1404 B8R0.23 O=C(O)C[C@H](O)C(=O)O MCULE-8865188741 [1,1,0,0,0,0|0,0,1]=3 1405 B8R0.23 O=C(O)C[C@H](O)C(=O)[O-] MCULE-1033530810 [1,1,0,0,0,0|0,0,2]=4 1406 B8R0.23 O=C(O)C[C@H](S)C(=O)O MCULE-6393371024 [1,1,0,0,0,0|0,1,1]=4 1407 B8R0.23 [C@@H](N)(CC(=O)O)C(=O)O MCULE-7899824165 [1,1,0,0,0,0|1,0,1]=4 1408 B8R0.24 CP(=O)(O)CC(O)CN MCULE-3493831461 [1,1,0,0,0,0|2,0,0]=4 1409 B8R0.24 CP(=O)(O)C[C@H](O)CN MCULE-7311439053 [1,1,0,0,0,0|2,0,0]=4 1410 B8R0.24 O=S(=O)(O)CC(O)CCl MCULE-8756434458 [1,1,0,0,0,0|2,0,0]=4 1411 B8R0.24 O=S(=O)(O)CC(O)CO MCULE-8972853403 [1,1,0,0,0,0|1,0,0]=3 1412 B8R0.24 [NH3+]CC(O)CP(=O)(O)O MCULE-1909194599 [1,1,0,0,0,0|2,0,0]=4 1413 B8R0.24 [NH3+]CC(O)CP(=O)(O)O MCULE-2988447435 [1,1,0,0,0,0|2,0,0]=4 1414 B8R0.34 C=CC(C)(O)CC(=O)O MCULE-2178203310 [1,1,0,0,0,0|1,0,1]=4 1415 B8R0.34 CC(C)(CBr)CC(=O)O MCULE-4311085343 [1,1,0,0,0,0|2,0,0]=4 1416 B8R0.34 CC(C)(CN)CC(=O)O MCULE-6230830854 [1,1,0,0,0,0|2,0,0]=4 1417 B8R0.34 CC(C)(CN)CC(=O)O MCULE-7518023349 [1,1,0,0,0,0|2,0,0]=4 1418 B8R0.34 CC(C)(CO)CC(=O)O MCULE-8595593482 [1,1,0,0,0,0|1,0,0]=3 1419 B8R0.34 CC(C)(CO)CC(=O)[O-] MCULE-9214676521 [1,1,0,0,0,0|1,0,1]=4 1420 B8R0.34 CC(O)(CN)CC(=O)O MCULE-3304637192 [1,1,0,0,0,0|1,0,0]=3 1421 B8R0.34 CC(O)(CN)CC(=O)O MCULE-4143526784 [1,1,0,0,0,0|1,0,0]=3 1422 B8R0.34 CCC(C)(C)CC(=O)O MCULE-7231252497 [1,1,0,0,0,0|2,0,0]=4 1423 B8R0.34 CCC(C)(O)CC(=O)O MCULE-2487477968 [1,1,0,0,0,0|1,0,0]=3 1424 B8R0.34 CCC(F)(F)CC(=O)O MCULE-6139996682 [1,1,0,0,0,0|2,0,0]=4 1425 B8R0.34 NCC(F)(F)CC(=O)O MCULE-1672648881 [1,1,0,0,0,0|2,0,0]=4 1426 B8R0.34 O=C(O)CP(=O)(O)OO MCULE-4846368706 [1,1,0,0,0,0|2,0,0]=4 1427 B8R0.3 C=CC[C@@H](O)C(=O)OC MCULE-5528424936 [1,1,0,0,0,0|1,0,1]=4 1428 B8R0.3 CCCC(Br)C(=O)OC MCULE-2779995445 [1,1,0,0,0,0|2,0,0]=4 1429 B8R0.3 CCCC(C)C(=O)OC MCULE-6953134216 [1,1,0,0,0,0|2,0,0]=4 1430 B8R0.3 CCCC(N)C(=O)NO MCULE-2069838283 [1,1,0,0,0,0|2,0,0]=4 1431 B8R0.3 CCCC(N)C(=O)OC MCULE-1453218994 [1,1,0,0,0,0|2,0,0]=4 1432 B8R0.3 CCCC(N)C(=O)OC MCULE-4171872835 [1,1,0,0,0,0|2,0,0]=4 1433 B8R0.3 CCCC(N)C(=O)OC MCULE-4324009425 [1,1,0,0,0,0|2,0,0]=4 1434 B8R0.3 CCCC(N)C(=O)OC MCULE-9533158990 [1,1,0,0,0,0|2,0,0]=4 1435 B8R0.3 CCC[C@@H](N)C(=O)OC MCULE-1310673609 [1,1,0,0,0,0|2,0,0]=4 1436 B8R0.3 CCC[C@@H](N)C(=O)OC MCULE-5850698619 [1,1,0,0,0,0|2,0,0]=4 1437 B8R0.3 CCC[C@@H](N)C(=O)OC MCULE-5854286766 [1,1,0,0,0,0|2,0,0]=4 1438 B8R0.3 CCC[C@@H](N)C(=O)OC MCULE-9793822862 [1,1,0,0,0,0|2,0,0]=4 1439 B8R0.3 CCC[C@H](N)C(=O)OC MCULE-2009036281 [1,1,0,0,0,0|2,0,0]=4 1440 B8R0.3 CCC[C@H](N)C(=O)OC MCULE-5609199650 [1,1,0,0,0,0|2,0,0]=4 1441 B8R0.3 CCC[C@H](N)C(=O)OC MCULE-5628439347 [1,1,0,0,0,0|2,0,0]=4 1442 B8R0.3 CCC[C@H](N)C(=O)OC MCULE-8724830592 [1,1,0,0,0,0|2,0,0]=4 1443 B8R0.3 COC(=O)C(Br)CCBr MCULE-4290973865 [1,1,0,0,0,0|2,0,0]=4 1444 B8R0.3 COC(=O)C(C)CCBr MCULE-7970722391 [1,1,0,0,0,0|2,0,0]=4 1445 B8R0.3 COC(=O)C(C)CCCl MCULE-3423199485 [1,1,0,0,0,0|2,0,0]=4 1446 B8R0.3 COC(=O)C(C)CCN MCULE-4788413403 [1,1,0,0,0,0|2,0,0]=4 1447 B8R0.3 COC(=O)C(C)CCN MCULE-6075427964 [1,1,0,0,0,0|2,0,0]=4 1448 B8R0.3 COC(=O)C(N)CCBr MCULE-5668145888 [1,1,0,0,0,0|2,0,0]=4 1449 B8R0.3 COC(=O)C(N)CCBr MCULE-5831054247 [1,1,0,0,0,0|2,0,0]=4 1450 B8R0.3 COC(=O)C(N)CCF MCULE-3356013030 [1,1,0,0,0,0|2,0,0]=4 1451 B8R0.3 COC(=O)C(N)CCF MCULE-6443244944 [1,1,0,0,0,0|2,0,0]=4 1452 B8R0.3 COC(=O)C(N)CCS MCULE-8178229832 [1,1,0,0,0,0|1,1,0]=4 1453 B8R0.3 COC(=O)C(O)CCN MCULE-7139144229 [1,1,0,0,0,0|1,0,0]=3 1454 B8R0.3 COC(=O)N(C)CCO MCULE-3282195016 [1,1,0,0,0,0|2,0,0]=4 1455 B8R0.3 COC(=O)[C@@H](N)CCBr MCULE-1252477377 [1,1,0,0,0,0|2,0,0]=4 1456 B8R0.3 COC(=O)[C@@H](N)CCBr MCULE-6780159971 [1,1,0,0,0,0|2,0,0]=4 1457 B8R0.3 COC(=O)[C@@H](N)CCBr MCULE-8129635461 [1,1,0,0,0,0|2,0,0]=4 1458 B8R0.3 COC(=O)[C@@H](N)CCBr MCULE-9824385803 [1,1,0,0,0,0|2,0,0]=4 1459 B8R0.3 COC(=O)[C@@H](N)CCN MCULE-5345736899 [1,1,0,0,0,0|2,0,0]=4 1460 B8R0.3 COC(=O)[C@@H](N)CCN MCULE-8434362314 [1,1,0,0,0,0|2,0,0]=4 1461 B8R0.3 COC(=O)[C@@H](N)CCS MCULE-1895611205 [1,1,0,0,0,0|1,1,0]=4 1462 B8R0.3 COC(=O)[C@@H](O)CCN MCULE-1204029497 [1,1,0,0,0,0|1,0,0]=3 1463 B8R0.3 COC(=O)[C@@H](O)CCN MCULE-2464186416 [1,1,0,0,0,0|1,0,0]=3 1464 B8R0.3 COC(=O)[C@@H](O)CCN MCULE-4887582087 [1,1,0,0,0,0|1,0,0]=3 1465 B8R0.3 COC(=O)[C@@H](O)CCN MCULE-8785450046 [1,1,0,0,0,0|1,0,0]=3 1466 B8R0.3 COC(=O)[C@H](N)CCN MCULE-1821826306 [1,1,0,0,0,0|2,0,0]=4 1467 B8R0.3 COC(=O)[C@H](N)CCN MCULE-8161776969 [1,1,0,0,0,0|2,0,0]=4 1468 B8R0.3 COC(=O)[C@H](N)CCO MCULE-1194830786 [1,1,0,0,0,0|1,0,0]=3 1469 B8R0.3 COC(=O)[C@H](N)CCO MCULE-2532522705 [1,1,0,0,0,0|1,0,0]=3 1470 B8R0.3 COC(=O)[C@H](N)CCS MCULE-8558179208 [1,1,0,0,0,0|1,1,0]=4 1471 B8R0.3 COCC(O)C(=O)OC MCULE-6071304250 [1,1,0,0,0,0|2,0,0]=4 1472 B8R0.8 C#CCCC(N)C(=O)O MCULE-2306841483 [1,1,0,0,0,0|2,0,0]=4 1473 B8R0.8 C#CCCC(O)C(=O)O MCULE-1983462487 [1,1,0,0,0,0|1,0,0]=3 1474 B8R0.8 C#CCC[C@@H](N)C(=O)O MCULE-3328230047 [1,1,0,0,0,0|2,0,0]=4 1475 B8R0.8 C#CCC[C@@H](N)C(=O)O MCULE-8588363102 [1,1,0,0,0,0|2,0,0]=4 1476 B8R0.8 C#CCC[C@H](N)C(=O)O MCULE-3269292516 [1,1,0,0,0,0|2,0,0]=4 1477 B8R0.8 C#CCC[C@H](N)C(=O)O MCULE-6769399323 [1,1,0,0,0,0|2,0,0]=4 1478 B8R0.8 C#CCC[C@H](N)C(=O)O MCULE-6930343823 [1,1,0,0,0,0|2,0,0]=4 1479 B8R0.8 C#CCC[C@H](N)C(=O)O MCULE-9522590396 [1,1,0,0,0,0|2,0,0]=4 1480 B8R0.8 C=CCCC(C)C(=O)O MCULE-3089071984 [1,1,0,0,0,0|2,0,0]=4 1481 B8R0.8 C=CCCC(N)C(=O)O MCULE-1524160350 [1,1,0,0,0,0|2,0,0]=4 1482 B8R0.8 C=CCCC(N)C(=O)O MCULE-5522822192 [1,1,0,0,0,0|2,0,0]=4 1483 B8R0.8 C=CCCC(N)C(=O)O MCULE-7998584890 [1,1,0,0,0,0|2,0,0]=4 1484 B8R0.8 C=CCC[C@@H](N)C(=O)O MCULE-4571532321 [1,1,0,0,0,0|2,0,0]=4 1485 B8R0.8 C=CCC[C@H](N)C(=O)O MCULE-2235047291 [1,1,0,0,0,0|2,0,0]=4 1486 B8R0.8 C=CCC[C@H](N)C(=O)O MCULE-4644458098 [1,1,0,0,0,0|2,0,0]=4 1487 B8R0.8 C=CCC[C@H](N)C(=O)O MCULE-7821274952 [1,1,0,0,0,0|2,0,0]=4 1488 B8R0.8 C=CCC[C@H](N)C(=O)O MCULE-9807212949 [1,1,0,0,0,0|2,0,0]=4 1489 B8R0.8 CC(CCCCl)C(=O)O MCULE-6504631587 [1,1,0,0,0,0|2,0,0]=4 1490 B8R0.8 CC(OCCN)C(=O)O MCULE-4117277894 [1,1,0,0,0,0|2,0,0]=4 1491 B8R0.8 CC(OCCN)C(=O)O MCULE-6407651037 [1,1,0,0,0,0|2,0,0]=4 1492 B8R0.8 CC(OCCO)C(=O)O MCULE-4305620136 [1,1,0,0,0,0|1,0,0]=3 1493 B8R0.8 CCCCC(Br)C(=O)O MCULE-5428502537 [1,1,0,0,0,0|2,0,0]=4 1494 B8R0.8 CCCCC(C)C(=O)O MCULE-7933263354 [1,1,0,0,0,0|2,0,0]=4 1495 B8R0.8 CCCCC(F)C(=O)O MCULE-2276381656 [1,1,0,0,0,0|2,0,0]=4 1496 B8R0.8 CCCCC(N)C(=O)O MCULE-4930484202 [1,1,0,0,0,0|2,0,0]=4 1497 B8R0.8 CCCCC(O)C(=O)N MCULE-1063256537 [1,1,0,0,0,0|2,0,0]=4 1498 B8R0.8 CCCCC(O)C(=O)O MCULE-2557585903 [1,1,0,0,0,0|1,0,0]=3 1499 B8R0.8 CCCC[C@@H](C)C(=O)O MCULE-3454696473 [1,1,0,0,0,0|2,0,0]=4 1500 B8R0.8 CCCC[C@@H](N)C(=O)O MCULE-3687527484 [1,1,0,0,0,0|2,0,0]=4 1501 B8R0.8 CCCC[C@@H](N)C(=O)O MCULE-9410581572 [1,1,0,0,0,0|2,0,0]=4 1502 B8R0.8 CCCC[C@H](C)C(=O)O MCULE-9016844851 [1,1,0,0,0,0|2,0,0]=4 1503 B8R0.8 CCCC[C@H](C)C(=O)O MCULE-9437190196 [1,1,0,0,0,0|2,0,0]=4 1504 B8R0.8 CCCC[C@H](N)C(=O)O MCULE-3656145338 [1,1,0,0,0,0|2,0,0]=4 1505 B8R0.8 CCCC[C@H](N)C(=O)O MCULE-7427914532 [1,1,0,0,0,0|2,0,0]=4 1506 B8R0.8 CCCOC(C)C(=O)O MCULE-4477829415 [1,1,0,0,0,0|2,0,0]=4 1507 B8R0.8 CCNCC(C)C(=O)O MCULE-3863191122 [1,1,0,0,0,0|2,0,0]=4 1508 B8R0.8 CCNCC(C)C(=O)O MCULE-4164323563 [1,1,0,0,0,0|2,0,0]=4 1509 B8R0.8 CCOCC(C)C(=O)O MCULE-5346959026 [1,1,0,0,0,0|2,0,0]=4 1510 B8R0.8 CCOC[C@@H](N)C(=O)O MCULE-9199053225 [1,1,0,0,0,0|2,0,0]=4 1511 B8R0.8 CCOC[C@@H](N)C(=O)O MCULE-9684903914 [1,1,0,0,0,0|2,0,0]=4 1512 B8R0.8 CCOC[C@H](N)C(=O)O MCULE-6351196285 [1,1,0,0,0,0|2,0,0]=4 1513 B8R0.8 CCOC[C@H](N)C(=O)O MCULE-7653589662 [1,1,0,0,0,0|2,0,0]=4 1514 B8R0.8 CCSCC(N)C(=O)O MCULE-9449250733 [1,1,0,0,0,0|2,0,0]=4 1515 B8R0.8 COCCC(C)C(=O)O MCULE-5066180613 [1,1,0,0,0,0|1,0,0]=3 1516 B8R0.8 COCCC(N)C(=O)N MCULE-4212561129 [1,1,0,0,0,0|2,0,0]=4 1517 B8R0.8 COCCC(N)C(=O)N MCULE-5370323024 [1,1,0,0,0,0|2,0,0]=4 1518 B8R0.8 COCCC(N)C(=O)O MCULE-3018605108 [1,1,0,0,0,0|1,0,0]=3 1519 B8R0.8 COCC[C@H](N)C(=O)O MCULE-6748608543 [1,1,0,0,0,0|1,0,0]=3 1520 B8R0.8 COCC[C@H](N)C(=O)O MCULE-8586358852 [1,1,0,0,0,0|1,0,0]=3 1521 B8R0.8 CSCCC(N)C(=O)O MCULE-5626142345 [1,1,0,0,0,0|1,1,0]=4 1522 B8R0.8 CSCCC(O)C(=O)N MCULE-9019971815 [1,1,0,0,0,0|1,1,0]=4 1523 B8R0.8 CSCCC(O)C(=O)O MCULE-3684026487 [1,1,0,0,0,0|0,1,0]=3 1524 B8R0.8 CSCC[C@@H](N)C(=O)O MCULE-2209985195 [1,1,0,0,0,0|1,1,0]=4 1525 B8R0.8 CSCC[C@@H](N)C(=O)O MCULE-9944164883 [1,1,0,0,0,0|1,1,0]=4 1526 B8R0.8 CSCC[C@H](N)C(=O)O MCULE-3383932641 [1,1,0,0,0,0|1,1,0]=4 1527 B8R0.8 CSCC[C@H](N)C(=O)O MCULE-4603455639 [1,1,0,0,0,0|1,1,0]=4 1528 B8R0.8 CSCC[C@H](N)C(=O)O MCULE-7228063662 [1,1,0,0,0,0|1,1,0]=4 1529 B8R0.8 C[Se]CCC(N)C(=O)O MCULE-9212969564 [1,1,0,0,0,0|1,1,0]=4 1530 B8R0.8 C[Se]CC[C@H](N)C(=O)O MCULE-5333020269 [1,1,0,0,0,0|1,1,0]=4 1531 B8R0.8 C[Se]CC[C@H](N)C(=O)O MCULE-5980340572 [1,1,0,0,0,0|1,1,0]=4 1532 B8R0.8 NC(CCCO)C(=O)O MCULE-5421732564 [1,1,0,0,0,0|1,0,0]=3 1533 B8R0.8 NCCCC(N)C(=O)O MCULE-1970642620 [1,1,0,0,0,0|2,0,0]=4 1534 B8R0.8 NCCCC(N)C(=O)O MCULE-4486209373 [1,1,0,0,0,0|2,0,0]=4 1535 B8R0.8 NCCCC(N)C(=O)O MCULE-8193724048 [1,1,0,0,0,0|2,0,0]=4 1536 B8R0.8 NCCCC(N)C(=O)O MCULE-9223414094 [1,1,0,0,0,0|2,0,0]=4 1537 B8R0.8 NCCC[C@@H](N)C(=O)O MCULE-1634156072 [1,1,0,0,0,0|2,0,0]=4 1538 B8R0.8 NCCC[C@@H](N)C(=O)O MCULE-2602820298 [1,1,0,0,0,0|2,0,0]=4 1539 B8R0.8 NCCC[C@@H](N)C(=O)O MCULE-2719848774 [1,1,0,0,0,0|2,0,0]=4 1540 B8R0.8 NCCC[C@@H](N)C(=O)O MCULE-8413545449 [1,1,0,0,0,0|2,0,0]=4 1541 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-2588005079 [1,1,0,0,0,0|2,0,0]=4 1542 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-2852667696 [1,1,0,0,0,0|2,0,0]=4 1543 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-3029872280 [1,1,0,0,0,0|2,0,0]=4 1544 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-4242810787 [1,1,0,0,0,0|2,0,0]=4 1545 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-6924538097 [1,1,0,0,0,0|2,0,0]=4 1546 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-8642266626 [1,1,0,0,0,0|2,0,0]=4 1547 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-9352931710 [1,1,0,0,0,0|2,0,0]=4 1548 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-9532999202 [1,1,0,0,0,0|2,0,0]=4 1549 B8R0.8 NOCCC(N)C(=O)O MCULE-1540658941 [1,1,0,0,0,0|1,0,0]=3 1550 B8R0.8 NOCCC(N)C(=O)O MCULE-3729513992 [1,1,0,0,0,0|1,0,0]=3 1551 B8R0.8 NOCC[C@@H](N)C(=O)O MCULE-3273727827 [1,1,0,0,0,0|1,0,0]=3 1552 B8R0.8 NOCC[C@H](N)C(=O)O MCULE-2315172974 [1,1,0,0,0,0|1,0,0]=3 1553 B8R0.8 N[C@@H](CCCO)C(=O)O MCULE-3220645027 [1,1,0,0,0,0|1,0,0]=3 1554 B8R0.8 N[C@@H](CCCO)C(=O)O MCULE-4608316868 [1,1,0,0,0,0|1,0,0]=3 1555 B8R0.8 O=C(O)C(O)CCCO MCULE-9386031706 [1,1,0,0,0,0|0,0,0]=2 1556 B8R0.8 O=C([O-])C(O)CCCO MCULE-5137868319 [1,1,0,0,0,0|0,0,1]=3 1557 B8R0.8 [C@@H](N)(CCC=C)C(=O)O MCULE-9648209291 [1,1,0,0,0,0|2,0,0]=4 1558 B8R0.8 [C@H](N)(CCON)C(=O)O MCULE-1309966773 [1,1,0,0,0,0|1,0,0]=3 1559 B8R0.8 [N-]=[N+]=NC[C@H](O)C(=O)O MCULE-8751271425 [1,1,0,0,0,0|2,0,0]=4 1560 B8R0.12 CC(C)(CCN)C(=O)O MCULE-2948071531 [1,1,0,0,0,0|2,0,0]=4 1561 B8R0.12 CC(C)(CCN)C(=O)O MCULE-9113980340 [1,1,0,0,0,0|2,0,0]=4 1562 B8R0.12 CC(C)(CCO)C(=O)O MCULE-1566648548 [1,1,0,0,0,0|1,0,0]=3 1563 B8R0.12 CC(C)(CCO)C(=O)[O-] MCULE-5034791567 [1,1,0,0,0,0|1,0,1]=4 1564 B8R0.12 CC(N)(CCF)C(=O)O MCULE-5797177130 [1,1,0,0,0,0|2,0,0]=4 1565 B8R0.12 CC(N)(CCF)C(=O)O MCULE-9911119608 [1,1,0,0,0,0|2,0,0]=4 1566 B8R0.12 CCCC(C)(C)C(=O)O MCULE-7950118630 [1,1,0,0,0,0|2,0,0]=4 1567 B8R0.12 CCCC(C)(N)C(=O)O MCULE-3079931045 [1,1,0,0,0,0|2,0,0]=4 1568 B8R0.12 CCCC(C)(O)C(=O)N MCULE-5398805490 [1,1,0,0,0,0|2,0,0]=4 1569 B8R0.12 CCCC(C)(O)C(=O)O MCULE-5292180056 [1,1,0,0,0,0|1,0,0]=3 1570 B8R0.12 CCCC(F)(F)C(=O)O MCULE-9926038462 [1,1,0,0,0,0|2,0,0]=4 1571 B8R0.12 CCC[C@](C)(N)C(=O)O MCULE-8569302783 [1,1,0,0,0,0|2,0,0]=4 1572 B8R0.12 COCC(C)(O)C(=O)O MCULE-7674892239 [1,1,0,0,0,0|2,0,0]=4 1573 B8R0.12 NCCC(F)(F)C(=O)O MCULE-3814517866 [1,1,0,0,0,0|2,0,0]=4 1574 B8R0.15 CCC(CCN)C(=O)O MCULE-3540595708 [1,1,0,0,0,0|2,0,0]=4 1575 B8R0.15 CCC(CCN)C(=O)O MCULE-6369668711 [1,1,0,0,0,0|2,0,0]=4 1576 B8R0.15 CCCC(C#N)C(=O)O MCULE-8231205596 [1,1,0,0,0,0|2,0,0]=4 1577 B8R0.15 CCCC(CC)C(=O)O MCULE-2070546888 [1,1,0,0,0,0|2,0,0]=4 1578 B8R0.15 CCCC(CO)C(=O)O MCULE-2653026260 [1,1,0,0,0,0|1,0,0]=3 1579 B8R0.15 CCCC(NC)C(=O)O MCULE-5292420123 [1,1,0,0,0,0|2,0,0]=4 1580 B8R0.15 CCCC(NC)C(=O)O MCULE-5734283547 [1,1,0,0,0,0|2,0,0]=4 1581 B8R0.15 CCCC(NC)C(=O)O MCULE-9559460593 [1,1,0,0,0,0|2,0,0]=4 1582 B8R0.15 CCCC(NO)C(=O)O MCULE-7484331195 [1,1,0,0,0,0|1,0,0]=3 1583 B8R0.15 CCCC(OC)C(=O)O MCULE-6875744280 [1,1,0,0,0,0|1,0,0]=3 1584 B8R0.15 CCC[C@@H](NC)C(=O)O MCULE-3394704356 [1,1,0,0,0,0|2,0,0]=4 1585 B8R0.15 CCC[C@@H](NC)C(=O)O MCULE-8140893147 [1,1,0,0,0,0|2,0,0]=4 1586 B8R0.15 CCC[C@H](CO)C(=O)O MCULE-1805025355 [1,1,0,0,0,0|1,0,0]=3 1587 B8R0.15 CCC[C@H](CO)C(=O)O MCULE-3449491143 [1,1,0,0,0,0|1,0,0]=3 1588 B8R0.15 CCC[C@H](NC)C(=O)O MCULE-1028689544 [1,1,0,0,0,0|2,0,0]=4 1589 B8R0.15 CCC[C@H](NC)C(=O)O MCULE-4848752673 [1,1,0,0,0,0|2,0,0]=4 1590 B8R0.15 CCC[C@H](NC)C(=O)O MCULE-5585839502 [1,1,0,0,0,0|2,0,0]=4 1591 B8R0.15 CCC[C@H](NO)C(=O)O MCULE-7455558431 [1,1,0,0,0,0|1,0,0]=3 1592 B8R0.15 CNC(CCN)C(=O)O MCULE-6687313255 [1,1,0,0,0,0|2,0,0]=4 1593 B8R0.15 CN[C@@H](CCO)C(=O)O MCULE-4209872941 [1,1,0,0,0,0|1,0,0]=3 1594 B8R0.15 CN[C@@H](CCO)C(=O)O MCULE-7202916887 [1,1,0,0,0,0|1,0,0]=3 1595 B8R0.15 CN[C@H](CCO)C(=O)O MCULE-1874728709 [1,1,0,0,0,0|1,0,0]=3 1596 B8R0.15 CN[C@H](CCO)C(=O)O MCULE-3716592032 [1,1,0,0,0,0|1,0,0]=3 1597 B8R0.15 COC(CCN)C(=O)N MCULE-4310174639 [1,1,0,0,0,0|2,0,0]=4 1598 B8R0.15 COC(CCN)C(=O)O MCULE-1510512790 [1,1,0,0,0,0|1,0,0]=3 1599 B8R0.15 COCC(OC)C(=O)O MCULE-5776685365 [1,1,0,0,0,0|2,0,0]=4 1600 B8R0.15 COCC(ON)C(=O)O MCULE-4466158339 [1,1,0,0,0,0|2,0,0]=4 1601 B8R0.15 COCC(ON)C(=O)O MCULE-6084078663 [1,1,0,0,0,0|2,0,0]=4 1602 B8R0.13 CC(C)(CO)[C@@H](O)CO MCULE-9011219997 [1,1,0,0,0,0|1,0,1]=4 1603 B8R0.13 C[C@](O)(CO)[C@H](O)CO MCULE-5157161314 [1,1,0,0,0,0|0,0,1]=3 1604 B8R0.20 CCC(C)C(C=O)OC MCULE-5091212843 [1,1,0,0,0,0|2,0,0]=4 1605 B8R0.20 COC(CO)C(Br)CO MCULE-7125758160 [1,1,0,0,0,0|1,0,1]=4 1606 B8R0.20 COC(OC)C(O)CO MCULE-6139329169 [1,1,0,0,0,0|2,0,0]=4 1607 B8R0.18 CC(C)C(CN)C(=O)O MCULE-4117902081 [1,1,0,0,0,0|2,0,0]=4 1608 B8R0.18 CC(C)C(CN)C(=O)O MCULE-7615812755 [1,1,0,0,0,0|2,0,0]=4 1609 B8R0.18 CC(C)C(CN)C(=O)O MCULE-7742033605 [1,1,0,0,0,0|2,0,0]=4 1610 B8R0.18 CC(C)C(CO)C(=O)O MCULE-3554430088 [1,1,0,0,0,0|1,0,0]=3 1611 B8R0.18 CC(C)C(CO)C(=O)[O-] MCULE-8769338268 [1,1,0,0,0,0|1,0,1]=4 1612 B8R0.18 CC(C)C(NN)C(=O)O MCULE-5064228794 [1,1,0,0,0,0|2,0,0]=4 1613 B8R0.18 CC(C)[C@@H](CN)C(=O)O MCULE-1192054373 [1,1,0,0,0,0|2,0,0]=4 1614 B8R0.18 CC(C)[C@@H](CN)C(=O)O MCULE-3040043200 [1,1,0,0,0,0|2,0,0]=4 1615 B8R0.18 CC(C)[C@@H](CN)C(=O)O MCULE-4353846755 [1,1,0,0,0,0|2,0,0]=4 1616 B8R0.18 CC(C)[C@@H](CN)C(=O)O MCULE-6762829521 [1,1,0,0,0,0|2,0,0]=4 1617 B8R0.18 CC(C)[C@H](CN)C(=O)O MCULE-4384560751 [1,1,0,0,0,0|2,0,0]=4 1618 B8R0.18 CC(C)[C@H](CN)C(=O)O MCULE-4859224613 [1,1,0,0,0,0|2,0,0]=4 1619 B8R0.18 CC(C)[C@H](CN)C(=O)O MCULE-4974717674 [1,1,0,0,0,0|2,0,0]=4 1620 B8R0.18 CC(C)[C@H](CN)C(=O)O MCULE-7170111497 [1,1,0,0,0,0|2,0,0]=4 1621 B8R0.18 CC(C)[C@H](NO)C(=O)O MCULE-4203177410 [1,1,0,0,0,0|1,0,0]=3 1622 B8R0.18 CCC(C(=O)O)C(C)C MCULE-5914693527 [1,1,0,0,0,0|2,0,0]=4 1623 B8R0.18 CCC(C(=O)O)C(C)N MCULE-2976322800 [1,1,0,0,0,0|2,0,0]=4 1624 B8R0.18 CCC(C(=O)O)C(C)O MCULE-1064081188 [1,1,0,0,0,0|1,0,0]=3 1625 B8R0.18 CNC(C(=O)O)C(C)C MCULE-2983512448 [1,1,0,0,0,0|2,0,0]=4 1626 B8R0.18 CNC(C(=O)O)C(C)C MCULE-5377326864 [1,1,0,0,0,0|2,0,0]=4 1627 B8R0.18 CNC(C(=O)O)C(C)C MCULE-7319327975 [1,1,0,0,0,0|2,0,0]=4 1628 B8R0.18 CNC(C(=O)O)C(C)O MCULE-8017224741 [1,1,0,0,0,0|1,0,0]=3 1629 B8R0.18 CN[C@@H](C(=O)O)C(C)C MCULE-4099145544 [1,1,0,0,0,0|2,0,0]=4 1630 B8R0.18 CN[C@@H](C(=O)O)C(C)C MCULE-4380404369 [1,1,0,0,0,0|2,0,0]=4 1631 B8R0.18 CN[C@@H](C(=O)O)C(C)C MCULE-9367123188 [1,1,0,0,0,0|2,0,0]=4 1632 B8R0.18 CN[C@@H](C(=O)O)C(C)C MCULE-9706333586 [1,1,0,0,0,0|2,0,0]=4 1633 B8R0.18 CN[C@H](C(=O)O)C(C)C MCULE-5443567819 [1,1,0,0,0,0|2,0,0]=4 1634 B8R0.18 CN[C@H](C(=O)O)C(C)C MCULE-5552228182 [1,1,0,0,0,0|2,0,0]=4 1635 B8R0.18 CN[C@H](C(=O)O)C(C)C MCULE-5767489702 [1,1,0,0,0,0|2,0,0]=4 1636 B8R0.18 CN[C@H](C(=O)O)C(C)C MCULE-8822349419 [1,1,0,0,0,0|2,0,0]=4 1637 B8R0.18 CN[C@H](C(=O)O)[C@@H](C)O MCULE-5405618703 [1,1,0,0,0,0|1,0,0]=3 1638 B8R0.18 CN[C@H](C(=O)O)[C@@H](C)O MCULE-6470355986 [1,1,0,0,0,0|1,0,0]=3 1639 B8R0.18 CN[C@H](C(=O)O)[C@@H](C)O MCULE-7261692258 [1,1,0,0,0,0|1,0,0]=3 1640 B8R0.18 CN[C@H](C(=O)O)[C@@H](C)O MCULE-7763091319 [1,1,0,0,0,0|1,0,0]=3 1641 B8R0.18 CN[C@H](C(=O)O)[C@@H](C)O MCULE-8429501411 [1,1,0,0,0,0|1,0,0]=3 1642 B8R0.18 COC(C(=O)O)C(C)Br MCULE-9261088290 [1,1,0,0,0,0|1,0,0]=3 1643 B8R0.18 COC(C(=O)O)C(C)C MCULE-4922461673 [1,1,0,0,0,0|1,0,0]=3 1644 B8R0.18 COC(C(=O)O)C(C)C MCULE-6661618070 [1,1,0,0,0,0|1,0,0]=3 1645 B8R0.18 COC(C(=O)O)C(C)N MCULE-5882264486 [1,1,0,0,0,0|1,0,0]=3 1646 B8R0.18 CO[C@@H](C(=O)O)C(C)C MCULE-1619707717 [1,1,0,0,0,0|1,0,0]=3 1647 B8R0.18 CO[C@H](C(=O)O)C(C)C MCULE-2291773409 [1,1,0,0,0,0|1,0,0]=3 1648 B8R0.18 CSC(C(=O)O)C(C)C MCULE-9613087260 [1,1,0,0,0,0|1,1,0]=4 1649 B8R0.27 C(N)(C(=O)O)C(C)(C)S MCULE-1893345960 [1,1,0,0,0,0|1,1,0]=4 1650 B8R0.27 CC(C(=O)O)C(C)(C)C MCULE-5931607530 [1,1,0,0,0,0|2,0,0]=4 1651 B8R0.27 CC(C(=O)O)C(C)(F)F MCULE-3134887311 [1,1,0,0,0,0|2,0,0]=4 1652 B8R0.27 CC(C(=O)O)P(=O)(O)O MCULE-8565461015 [1,1,0,0,0,0|2,0,0]=4 1653 B8R0.27 CC(C)(Br)C(Br)C(=O)O MCULE-2600237498 [1,1,0,0,0,0|2,0,0]=4 1654 B8R0.27 CC(C)(C)C(Br)C(=O)O MCULE-3140400663 [1,1,0,0,0,0|2,0,0]=4 1655 B8R0.27 CC(C)(C)C(N)C(=O)O MCULE-4378220677 [1,1,0,0,0,0|2,0,0]=4 1656 B8R0.27 CC(C)(C)C(N)C(=O)O MCULE-7142182400 [1,1,0,0,0,0|2,0,0]=4 1657 B8R0.27 CC(C)(C)C(N)C(=O)O MCULE-9877941557 [1,1,0,0,0,0|2,0,0]=4 1658 B8R0.27 CC(C)(C)C(O)C(=O)O MCULE-2831225594 [1,1,0,0,0,0|1,0,0]=3 1659 B8R0.27 CC(C)(C)C(O)C(=O)O MCULE-6241480954 [1,1,0,0,0,0|1,0,0]=3 1660 B8R0.27 CC(C)(C)[C@@H](N)C(=O)O MCULE-1280092872 [1,1,0,0,0,0|2,0,0]=4 1661 B8R0.27 CC(C)(C)[C@@H](N)C(=O)O MCULE-8741274445 [1,1,0,0,0,0|2,0,0]=4 1662 B8R0.27 CC(C)(C)[C@@H](N)C(=O)O MCULE-9585981018 [1,1,0,0,0,0|2,0,0]=4 1663 B8R0.27 CC(C)(C)[C@@H](O)C(=O)O MCULE-4712331175 [1,1,0,0,0,0|1,0,0]=3 1664 B8R0.27 CC(C)(C)[C@@H](O)C(=O)O MCULE-9440383034 [1,1,0,0,0,0|1,0,0]=3 1665 B8R0.27 CC(C)(C)[C@H](Br)C(=O)O MCULE-3604683063 [1,1,0,0,0,0|2,0,0]=4 1666 B8R0.27 CC(C)(C)[C@H](N)C(=O)O MCULE-2361901374 [1,1,0,0,0,0|2,0,0]=4 1667 B8R0.27 CC(C)(C)[C@H](N)C(=O)O MCULE-7700637346 [1,1,0,0,0,0|2,0,0]=4 1668 B8R0.27 CC(C)(C)[C@H](N)C(=O)O MCULE-8028056550 [1,1,0,0,0,0|2,0,0]=4 1669 B8R0.27 CC(C)(C)[C@H](N)C(=O)O MCULE-8791211435 [1,1,0,0,0,0|2,0,0]=4 1670 B8R0.27 CC(C)(C)[C@H](O)C(=O)O MCULE-4165755614 [1,1,0,0,0,0|1,0,0]=3 1671 B8R0.27 CC(C)(C)[C@H](O)C(=O)O MCULE-6845662197 [1,1,0,0,0,0|1,0,0]=3 1672 B8R0.27 CC(C)(F)C(Br)C(=O)O MCULE-8601470705 [1,1,0,0,0,0|2,0,0]=4 1673 B8R0.27 CC(C)(F)C(N)C(=O)O MCULE-3479476353 [1,1,0,0,0,0|2,0,0]=4 1674 B8R0.27 CC(C)(F)[C@H](N)C(=O)O MCULE-4975554837 [1,1,0,0,0,0|2,0,0]=4 1675 B8R0.27 CC(C)(F)[C@H](N)C(=O)O MCULE-6202392495 [1,1,0,0,0,0|2,0,0]=4 1676 B8R0.27 CC(C)(O)C(N)C(=O)O MCULE-4257891769 [1,1,0,0,0,0|1,0,0]=3 1677 B8R0.27 CC(C)(O)C(N)C(=O)O MCULE-4291820573 [1,1,0,0,0,0|1,0,0]=3 1678 B8R0.27 CC(C)(O)C(N)C(=O)O MCULE-8731964950 [1,1,0,0,0,0|1,0,0]=3 1679 B8R0.27 CC(C)(O)C(O)C(=O)O MCULE-2030710507 [1,1,0,0,0,0|0,0,0]=2 1680 B8R0.27 CC(C)(O)[C@@H](N)C(=O)O MCULE-2953137860 [1,1,0,0,0,0|1,0,0]=3 1681 B8R0.27 CC(C)(O)[C@@H](N)C(=O)O MCULE-3424625974 [1,1,0,0,0,0|1,0,0]=3 1682 B8R0.27 CC(C)(O)[C@H](N)C(=O)O MCULE-3721152032 [1,1,0,0,0,0|1,0,0]=3 1683 B8R0.27 CC(C)(O)[C@H](N)C(=O)O MCULE-7599346102 [1,1,0,0,0,0|1,0,0]=3 1684 B8R0.27 CC(C)(O)[C@H](N)C(=O)O MCULE-9499245205 [1,1,0,0,0,0|1,0,0]=3 1685 B8R0.27 CC(C)(S)C(N)C(=O)O MCULE-4184299411 [1,1,0,0,0,0|1,1,0]=4 1686 B8R0.27 CC(C)(S)C(N)C(=O)O MCULE-8542176080 [1,1,0,0,0,0|1,1,0]=4 1687 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O MCULE-5986342172 [1,1,0,0,0,0|1,1,0]=4 1688 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O MCULE-9856748563 [1,1,0,0,0,0|1,1,0]=4 1689 B8R0.27 CC(C)(S)[C@H](N)C(=O)O MCULE-3098543641 [1,1,0,0,0,0|1,1,0]=4 1690 B8R0.27 CC(C)(S)[C@H](N)C(=O)O MCULE-9539588985 [1,1,0,0,0,0|1,1,0]=4 1691 B8R0.27 CC(C)C(O)S(=O)(=O)O MCULE-5782226558 [1,1,0,0,0,0|2,0,0]=4 1692 B8R0.27 CC(F)(F)C(N)C(=O)O MCULE-1789483909 [1,1,0,0,0,0|2,0,0]=4 1693 B8R0.27 CC(F)(F)C(N)C(=O)O MCULE-3186979989 [1,1,0,0,0,0|2,0,0]=4 1694 B8R0.27 CP(=O)(C)C(O)C(=O)O MCULE-6921301874 [1,1,0,0,0,0|1,0,1]=4 1695 B8R0.27 O=C(O)C(Cl)P(=O)(O)O MCULE-8492715834 [1,1,0,0,0,0|2,0,0]=4 1696 B8R0.27 O=C(O)C(O)C(F)(F)F MCULE-5680860171 [1,1,0,0,0,0|2,0,0]=4 1697 B8R0.27 O=C(O)C(O)P(=O)(O)O MCULE-5564177953 [1,1,0,0,0,0|1,0,0]=3 1698 B8R0.27 O=C(O)[C@@H](O)C(F)(F)F MCULE-6359246138 [1,1,0,0,0,0|2,0,0]=4 1699 B8R0.27 O=C(O)[C@@H](O)C(F)(F)F MCULE-6583810105 [1,1,0,0,0,0|2,0,0]=4 1700 B8R0.27 O=C(O)[C@H](O)C(F)(F)F MCULE-7803397404 [1,1,0,0,0,0|2,0,0]=4 1701 B8R0.27 O=C(O)[C@H](O)C(F)(F)F MCULE-9794017640 [1,1,0,0,0,0|2,0,0]=4 1702 B8R0.27 [C@@H](N)(C(=O)O)C(C)(C)O MCULE-5116872005 [1,1,0,0,0,0|1,0,0]=3 1703 B8R0.27 [C@H](N)(C(=O)O)C(C)(C)S MCULE-5559697921 [1,1,0,0,0,0|1,1,0]=4 1704 B8R0.37 CC(Br)C(C)(Br)C(=O)O MCULE-4288495047 [1,1,0,0,0,0|2,0,0]=4 1705 B8R0.37 CC(C)C(C)(C)C(=O)O MCULE-8335448418 [1,1,0,0,0,0|2,0,0]=4 1706 B8R0.37 CC(C)C(C)(N)C(=O)O MCULE-2018617657 [1,1,0,0,0,0|2,0,0]=4 1707 B8R0.37 CC(C)C(C)(N)C(=O)O MCULE-8116018936 [1,1,0,0,0,0|2,0,0]=4 1708 B8R0.37 CC(C)C(C)(O)C(=O)O MCULE-3909217790 [1,1,0,0,0,0|1,0,0]=3 1709 B8R0.37 CC(C)C(F)(F)C(=O)O MCULE-2732318443 [1,1,0,0,0,0|2,0,0]=4 1710 B8R0.37 CC(C)[C@@](C)(N)C(=O)O MCULE-1672449529 [1,1,0,0,0,0|2,0,0]=4 1711 B8R0.37 CC(C)[C@@](C)(N)C(=O)O MCULE-5333264309 [1,1,0,0,0,0|2,0,0]=4 1712 B8R0.37 CC(C)[C@](C)(N)C(=O)O MCULE-3942243398 [1,1,0,0,0,0|2,0,0]=4 1713 B8R0.37 CC(C)[C@](C)(N)C(=O)O MCULE-5291448404 [1,1,0,0,0,0|2,0,0]=4 1714 B8R0.37 CC(N)C(C)(C)C(=O)O MCULE-4369218088 [1,1,0,0,0,0|2,0,0]=4 1715 B8R0.37 CC(N)C(C)(C)C(=O)O MCULE-9651473536 [1,1,0,0,0,0|2,0,0]=4 1716 B8R0.37 CC(O)(C(=O)O)C(F)F MCULE-8638068323 [1,1,0,0,0,0|2,0,0]=4 1717 B8R0.37 CC(O)C(C)(N)C(=O)O MCULE-9781647782 [1,1,0,0,0,0|1,0,0]=3 1718 B8R0.37 CC(O)C(C)(O)C(=O)O MCULE-5546110054 [1,1,0,0,0,0|0,0,0]=2 1719 B8R0.37 CC(O)C(F)(F)C(=O)O MCULE-8714570962 [1,1,0,0,0,0|1,0,0]=3 1720 B8R0.37 C[C@@H](O)[C@](C)(N)C(=O)O MCULE-4212497890 [1,1,0,0,0,0|1,0,0]=3 1721 B8R0.37 C[C@@H](O)[C@](C)(N)C(=O)O MCULE-7382680634 [1,1,0,0,0,0|1,0,0]=3 1722 B8R0.37 C[C@H](O)[C@@](C)(N)C(=O)O MCULE-5661079280 [1,1,0,0,0,0|1,0,0]=3 1723 B8R0.37 O=C(O)C(O)(O)C(=O)O MCULE-1610310703 [1,1,0,0,0,0|0,0,2]=4 1724 B10R0.13 N[C@@H](C(=O)O)[C@H](O)CC(=O)O MCULE-6540374220 [0,1,0,0,0,1|1,0,1]=4 1725 B10R0.13 O=C(O)CC(O)C(O)C(=O)[O-] MCULE-4149978058 [0,1,0,0,0,1|0,0,2]=4 1726 B10R0.13 O=C(O)CC(O)C(O)C(=O)[O-] MCULE-8718049660 [0,1,0,0,0,1|0,0,2]=4 1727 B10R0.46 O=C(CO)C[C@H](O)[C@H](O)CO MCULE-5417003070 [0,1,0,0,0,1|0,0,0]=2 1728 B10R0.46 O=CC(=O)CC(O)C(O)CO MCULE-1667743303 [0,1,0,0,0,1|0,0,1]=3 1729 B10R0.46 O=CC(=O)C[C@@H](O)[C@H](O)CO MCULE-1987805139 [0,1,0,0,0,1|0,0,1]=3 1730 B10R0.46 O=CC(=O)C[C@@H](O)[C@H](O)CO MCULE-2288135882 [0,1,0,0,0,1|0,0,1]=3 1731 B10R0.46 O=CC(=O)C[C@H](O)[C@H](O)CO MCULE-4149664545 [0,1,0,0,0,1|0,0,1]=3 1732 B10R0.46 O=CC(=O)C[C@H](O)[C@H](O)CO MCULE-5091939891 [0,1,0,0,0,1|0,0,1]=3 1733 B10R0.46 O=C[C@H](O)C[C@H](O)[C@H](O)CO MCULE-9547679189 [0,1,0,0,0,1|0,0,1]=3 1734 B10R0.56 C(C)(O)C(O)C(O)C(O)CO MCULE-2198142963 [0,1,0,0,0,1|1,0,1]=4 1735 B10R0.56 CC(=O)[C@@H](O)[C@H](O)[C@H](O)CO MCULE-9778088155 [0,1,0,0,0,1|1,0,0]=3 1736 B10R0.56 C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO MCULE-1145165954 [0,1,0,0,0,1|1,0,1]=4 1737 B10R0.56 C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO MCULE-6618585762 [0,1,0,0,0,1|1,0,1]=4 1738 B10R0.56 O=C(O)C(O)C(O)C(O)CO MCULE-1338240271 [0,1,0,0,0,1|0,0,0]=2 1739 B10R0.56 O=C(O)C(O)C(O)C(O)CO MCULE-4363749577 [0,1,0,0,0,1|0,0,0]=2 1740 B10R0.56 O=C(O)[C@@H](O)[C@@H](O)[C@@H](O)CO MCULE-9373817144 [0,1,0,0,0,1|0,0,0]=2 1741 B10R0.56 O=C(O)[C@@H](O)[C@@H](O)[C@H](O)CO MCULE-2779105414 [0,1,0,0,0,1|0,0,0]=2 1742 B10R0.56 O=C(O)[C@@H](O)[C@H](O)[C@@H](O)CO MCULE-5681010723 [0,1,0,0,0,1|0,0,0]=2 1743 B10R0.56 O=C(O)[C@@H](O)[C@H](O)[C@H](O)CO MCULE-7997735324 [0,1,0,0,0,1|0,0,0]=2 1744 B10R0.56 O=C(O)[C@H](O)[C@@H](O)[C@H](O)CO MCULE-9899945314 [0,1,0,0,0,1|0,0,0]=2 1745 B10R0.56 O=C(O)[C@H](O)[C@H](O)[C@H](O)CO MCULE-7616681724 [0,1,0,0,0,1|0,0,0]=2 1746 B10R0.56 O=C([O-])C(O)C(O)C(O)CO MCULE-4342169432 [0,1,0,0,0,1|0,0,1]=3 1747 B10R0.56 O=C([O-])[C@@H](O)[C@@H](O)[C@H](O)CO MCULE-1900135831 [0,1,0,0,0,1|0,0,1]=3 1748 B10R0.56 O=C([O-])[C@@H](O)[C@@H](O)[C@H](O)CO MCULE-6201769573 [0,1,0,0,0,1|0,0,1]=3 1749 B10R0.56 O=C([O-])[C@@H](O)[C@@H](O)[C@H](O)CO MCULE-6879618844 [0,1,0,0,0,1|0,0,1]=3 1750 B10R0.56 O=C([O-])[C@H](O)[C@@H](O)[C@H](O)CO MCULE-3794075484 [0,1,0,0,0,1|0,0,1]=3 1751 B10R0.56 OCC(O)C(O)C(O)C(O)O MCULE-1815711796 [0,1,0,0,0,1|0,0,2]=4 1752 B10R0.93 NC(CC(O)C(=O)O)C(=O)O MCULE-2122152001 [0,1,0,0,0,1|1,0,1]=4 1753 B10R0.93 N[C@@H](C[C@@H](O)C(=O)O)C(=O)O MCULE-2660596864 [0,1,0,0,0,1|1,0,1]=4 1754 B10R0.93 N[C@@H](C[C@@H](O)C(=O)O)C(=O)O MCULE-6180379673 [0,1,0,0,0,1|1,0,1]=4 1755 B10R0.93 N[C@@H](C[C@H](O)C(=O)O)C(=O)O MCULE-2217204949 [0,1,0,0,0,1|1,0,1]=4 1756 B10R0.93 N[C@@H](C[C@H](O)C(=O)O)C(=O)O MCULE-8271752005 [0,1,0,0,0,1|1,0,1]=4 1757 B10R0.93 N[C@H](C[C@H](O)C(=O)O)C(=O)O MCULE-8040485498 [0,1,0,0,0,1|1,0,1]=4 1758 B10R0.93 O=C(O)C(O)SC(O)C(=O)O MCULE-2925160633 [0,1,0,0,0,1|0,0,1]=3 1759 B10R0.35 NC(C=O)C(O)C(O)CCO MCULE-5677232167 [0,2,0,0,0,0|1,0,1]=4 1760 B10R0.35 NN=CC(O)C(O)C(O)CO MCULE-7273047950 [0,2,0,0,0,0|1,0,1]=4 1761 B10R0.35 N[C@H](C=O)[C@@H](O)[C@H](O)CCO MCULE-1268488685 [0,2,0,0,0,0|1,0,1]=4 1762 B10R0.35 O=CCC(O)C(O)C(O)CO MCULE-4078609150 [0,2,0,0,0,0|0,0,1]=3 1763 B10R0.35 O=CC[C@@H](O)[C@@H](O)[C@H](O)CO MCULE-1779026275 [0,2,0,0,0,0|0,0,1]=3 1764 B10R0.35 O=CC[C@@H](O)[C@@H](O)[C@H](O)CO MCULE-7578634519 [0,2,0,0,0,0|0,0,1]=3 1765 B10R0.35 O=CC[C@@H](O)[C@H](O)[C@H](O)CO MCULE-2427523663 [0,2,0,0,0,0|0,0,1]=3 1766 B10R0.35 O=CC[C@@H](O)[C@H](O)[C@H](O)CO MCULE-4718457404 [0,2,0,0,0,0|0,0,1]=3 1767 B10R0.35 OC[C@@H](O)[C@@H](O)[C@@H](O)C=NO MCULE-6034687740 [0,2,0,0,0,0|0,0,2]=4 1768 B10R0.81 CCCCC(N)C(O)C(=O)O MCULE-9772584692 [0,2,0,0,0,0|2,0,0]=4 1769 B10R0.81 CCCC[C@@H](N)[C@H](O)C(=O)O MCULE-8826953669 [0,2,0,0,0,0|2,0,0]=4 1770 B10R0.81 CCCC[C@H](N)[C@H](O)C(=O)O MCULE-6737057860 [0,2,0,0,0,0|2,0,0]=4 1771 B10R0.81 COCCC(C)C(N)C(=O)O MCULE-6609752945 [0,2,0,0,0,0|2,0,0]=4 1772 B10R0.39 CC(C)(CO)C(O)C(=O)NN MCULE-8277236420 [0,2,0,0,0,0|2,0,0]=4 1773 B10R0.154 CC(C)(C)C(O)C(N)C(=O)O MCULE-9655540951 [0,2,0,0,0,0|2,0,0]=4 1774 B10R0.154 CC(C)(C)[C@@H](O)[C@H](N)C(=O)O MCULE-3285070258 [0,2,0,0,0,0|2,0,0]=4 1775 B10R0.154 CC(C)(C)[C@H](O)[C@@H](N)C(=O)O MCULE-1720433604 [0,2,0,0,0,0|2,0,0]=4 1776 B10R0.154 CC(C)(C)[C@H](O)[C@@H](N)C(=O)O MCULE-5518166439 [0,2,0,0,0,0|2,0,0]=4 1777 B10R0.117 CC(C)C(O)C(C)(C)C(=O)O MCULE-5981343574 [0,2,0,0,0,0|2,0,0]=4 1778 B8R1.1 CC1=NOC(C1)CO MCULE-8599237142 [1,0,0,1,0,0|2,0,0]=4 1779 B8R1.1 CCC1CC(=O)CO1 MCULE-7105024194 [1,0,0,1,0,0|2,0,0]=4 1780 B8R1.1 CCC1COC(=O)C1 MCULE-1996435734 [1,0,0,1,0,0|2,0,0]=4 1781 B8R1.1 O=C1CC(CN1)CO MCULE-8619053563 [1,0,0,1,0,0|2,0,0]=4 1782 B8R1.1 O=C1CC(CO1)CO MCULE-7403068263 [1,0,0,1,0,0|1,0,0]=3 1783 B8R1.1 O=C1CCC(C1)CO MCULE-7524267942 [1,0,0,1,0,0|2,0,0]=4 1784 B8R1.1 O=C1CC[C@@H](C1)CO MCULE-2590805877 [1,0,0,1,0,0|2,0,0]=4 1785 B8R1.1 O=C1CC[C@@H](C1)CO MCULE-7134607780 [1,0,0,1,0,0|2,0,0]=4 1786 B8R1.1 O=C1C[C@@H](CN1)CO MCULE-5572559100 [1,0,0,1,0,0|2,0,0]=4 1787 B8R1.1 O=C1C[C@H](CN1)CO MCULE-4450345453 [1,0,0,1,0,0|2,0,0]=4 1788 B8R1.1 O=C1NC(CO1)CO MCULE-8296379772 [1,0,0,1,0,0|2,0,0]=4 1789 B8R1.1 O=C1NC(CO1)CO MCULE-9797812862 [1,0,0,1,0,0|2,0,0]=4 1790 B8R1.1 O=C1N[C@@H](CO1)CO MCULE-2270288938 [1,0,0,1,0,0|2,0,0]=4 1791 B8R1.1 O=C1N[C@@H](CO1)CO MCULE-5533745846 [1,0,0,1,0,0|2,0,0]=4 1792 B8R1.1 O=C1N[C@H](CO1)CO MCULE-3186572246 [1,0,0,1,0,0|2,0,0]=4 1793 B8R1.1 O=C1N[C@H](CO1)CO MCULE-4534112642 [1,0,0,1,0,0|2,0,0]=4 1794 B8R1.1 O=C1OCC(O1)CO MCULE-1831262013 [1,0,0,1,0,0|2,0,0]=4 1795 B8R1.1 OCC1CC(CO1)O MCULE-4648895678 [1,0,0,1,0,0|1,0,1]=4 1796 B8R1.1 OC[C@@H]1C[C@@H](CO1)O MCULE-7875239623 [1,0,0,1,0,0|1,0,1]=4 1797 B8R1.1 OC[C@H]1C[C@@H](CO1)O MCULE-5801561749 [1,0,0,1,0,0|1,0,1]=4 1798 B8R1.1 OC[C@H]1C[C@H](CO1)O MCULE-4197376814 [1,0,0,1,0,0|1,0,1]=4 1799 B8R1.1 OC[C@H]1C[C@H](CO1)O MCULE-4573543387 [1,0,0,1,0,0|1,0,1]=4 1800 B8R1.4 CC1CCOC(=O)C1 MCULE-2682865017 [1,0,0,1,0,0|2,0,0]=4 1801 B8R1.4 NC1COCC(=O)C1 MCULE-4958107203 [1,0,0,1,0,0|2,0,0]=4 1802 B8R1.4 NC1COCC(=O)C1 MCULE-9645630994 [1,0,0,1,0,0|2,0,0]=4 1803 B8R1.4 N[C@@H]1COCC(=O)C1 MCULE-3299834957 [1,0,0,1,0,0|2,0,0]=4 1804 B8R1.4 N[C@@H]1COCC(=O)C1 MCULE-6683156371 [1,0,0,1,0,0|2,0,0]=4 1805 B8R1.4 O=C1CC(CCN1)O MCULE-5400068518 [1,0,0,1,0,0|2,0,0]=4 1806 B8R1.4 O=C1CC(CCN1)O MCULE-8702086069 [1,0,0,1,0,0|2,0,0]=4 1807 B8R1.4 O=C1CCCC(C1)O MCULE-3100717907 [1,0,0,1,0,0|2,0,0]=4 1808 B8R1.4 O=C1CCC[C@@H](C1)O MCULE-3841179351 [1,0,0,1,0,0|2,0,0]=4 1809 B8R1.4 O=C1COCC(C1)O MCULE-6056926421 [1,0,0,1,0,0|1,0,0]=3 1810 B8R1.4 O=C1C[C@@H](CCN1)O MCULE-8279613188 [1,0,0,1,0,0|2,0,0]=4 1811 B8R1.4 O=C1C[C@@H](CCN1)O MCULE-9911849866 [1,0,0,1,0,0|2,0,0]=4 1812 B8R1.4 O=C1C[C@H](CCN1)O MCULE-3843806479 [1,0,0,1,0,0|2,0,0]=4 1813 B8R1.4 O=C1C[C@H](CCN1)O MCULE-9127195212 [1,0,0,1,0,0|2,0,0]=4 1814 B8R1.18 CC1CC(=O)OC1C MCULE-3906254123 [1,0,0,1,0,0|2,0,0]=4 1815 B8R1.18 CC1CC(=O)OC1O MCULE-7140241012 [1,0,0,1,0,0|1,0,0]=3 1816 B8R1.18 CC1NC(=O)CC1O MCULE-6370955032 [1,0,0,1,0,0|2,0,0]=4 1817 B8R1.18 C[C@@H]1NC(=O)C[C@@H]1O MCULE-5647492108 [1,0,0,1,0,0|2,0,0]=4 1818 B8R1.18 C[C@H]1CC(=O)O[C@H]1C MCULE-7756599719 [1,0,0,1,0,0|2,0,0]=4 1819 B8R1.18 O=C1NC(C(N1)O)O MCULE-4925329931 [1,0,0,1,0,0|2,0,0]=4 1820 B8R1.20 CC1CC1CC(=O)O MCULE-3151390667 [1,0,0,1,0,0|2,0,0]=4 1821 B8R1.31 CC1CCC1C(=O)O MCULE-2755332087 [1,0,0,1,0,0|2,0,0]=4 1822 B8R1.31 CC1CNC1C(=O)O MCULE-4084486339 [1,0,0,1,0,0|2,0,0]=4 1823 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O MCULE-6870930523 [1,0,0,1,0,0|2,0,0]=4 1824 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O MCULE-9495962068 [1,0,0,1,0,0|2,0,0]=4 1825 B8R1.31 NC1CCC1C(=O)O MCULE-1271890671 [1,0,0,1,0,0|2,0,0]=4 1826 B8R1.31 NC1CCC1C(=O)O MCULE-6203451123 [1,0,0,1,0,0|2,0,0]=4 1827 B8R1.31 N[C@@H]1CC[C@@H]1C(=O)O MCULE-7309195085 [1,0,0,1,0,0|2,0,0]=4 1828 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O MCULE-1231832702 [1,0,0,1,0,0|2,0,0]=4 1829 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O MCULE-4120413857 [1,0,0,1,0,0|2,0,0]=4 1830 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O MCULE-7581321099 [1,0,0,1,0,0|2,0,0]=4 1831 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O MCULE-8814127531 [1,0,0,1,0,0|2,0,0]=4 1832 B8R1.31 N[C@H]1CC[C@@H]1C(=O)O MCULE-1877122488 [1,0,0,1,0,0|2,0,0]=4 1833 B8R1.31 N[C@H]1CC[C@H]1C(=O)O MCULE-2323153571 [1,0,0,1,0,0|2,0,0]=4 1834 B8R1.31 N[C@H]1CC[C@H]1C(=O)O MCULE-3627026930 [1,0,0,1,0,0|2,0,0]=4 1835 B8R1.31 N[C@H]1CC[C@H]1C(=O)O MCULE-3814908416 [1,0,0,1,0,0|2,0,0]=4 1836 B8R1.31 N[C@H]1CC[C@H]1C(=O)O MCULE-8552378194 [1,0,0,1,0,0|2,0,0]=4 1837 B8R1.31 O=C(O)C1CCC1F MCULE-6928594613 [1,0,0,1,0,0|2,0,0]=4 1838 B8R1.31 O=C(O)C1CCC1O MCULE-5612797663 [1,0,0,1,0,0|1,0,0]=3 1839 B8R1.31 O=C(O)[C@@H]1CC[C@H]1O MCULE-4502275905 [1,0,0,1,0,0|1,0,0]=3 1840 B8R1.31 O=C(O)[C@H]1CC[C@@H]1O MCULE-1446557503 [1,0,0,1,0,0|1,0,0]=3 1841 B8R1.31 [C@@H]1(CC[C@@H]1C(=O)O)N MCULE-3693378535 [1,0,0,1,0,0|2,0,0]=4 1842 B8R1.31 [C@@H]1(CC[C@@H]1C(=O)O)N MCULE-4998471402 [1,0,0,1,0,0|2,0,0]=4 1843 B8R1.31 [C@@H]1(CC[C@H]1C(=O)O)N MCULE-1179436878 [1,0,0,1,0,0|2,0,0]=4 1844 B8R1.31 [C@@H]1(CC[C@H]1C(=O)O)N MCULE-6666180327 [1,0,0,1,0,0|2,0,0]=4 1845 B8R1.31 [C@@H]1(NC[C@H]1C)C(=O)O MCULE-4107819391 [1,0,0,1,0,0|2,0,0]=4 1846 B8R1.34 CC(=O)CC1COC1 MCULE-8127220146 [1,0,0,1,0,0|2,0,0]=4 1847 B8R1.34 O=C(O)CC1CCC1 MCULE-3720911045 [1,0,0,1,0,0|2,0,0]=4 1848 B8R1.34 O=C(O)CC1CCN1 MCULE-4161960358 [1,0,0,1,0,0|2,0,0]=4 1849 B8R1.34 O=C(O)CC1CCO1 MCULE-7021545652 [1,0,0,1,0,0|1,0,0]=3 1850 B8R1.34 O=C(O)CC1CNC1 MCULE-4671495498 [1,0,0,1,0,0|2,0,0]=4 1851 B8R1.34 O=C(O)CC1CNC1 MCULE-5456583939 [1,0,0,1,0,0|2,0,0]=4 1852 B8R1.34 O=C(O)CC1CNC1 MCULE-9655427403 [1,0,0,1,0,0|2,0,0]=4 1853 B8R1.34 O=C(O)CC1COC1 MCULE-1090518485 [1,0,0,1,0,0|1,0,0]=3 1854 B8R1.34 O=C(O)CC1CSC1 MCULE-1573505481 [1,0,0,1,0,0|1,1,0]=4 1855 B8R1.34 O=C([O-])CC1COC1 MCULE-8848528767 [1,0,0,1,0,0|1,0,1]=4 1856 B8R1.42 CC1(CC1)CC(=O)O MCULE-1590977154 [1,0,0,1,0,0|2,0,0]=4 1857 B8R1.42 NC1(CC1)CC(=O)O MCULE-3593224967 [1,0,0,1,0,0|2,0,0]=4 1858 B8R1.42 NC1(CC1)CC(=O)O MCULE-8049209917 [1,0,0,1,0,0|2,0,0]=4 1859 B8R1.42 O=C(O)CC1(CC1)O MCULE-1745399123 [1,0,0,1,0,0|1,0,0]=3 1860 B8R1.43 CCC1CC1C(=O)O MCULE-2993174891 [1,0,0,1,0,0|2,0,0]=4 1861 B8R1.43 CC[C@@H]1C[C@H]1C(=O)O MCULE-8944777861 [1,0,0,1,0,0|2,0,0]=4 1862 B8R1.43 NC(=O)C1CC1CO MCULE-3191620985 [1,0,0,1,0,0|2,0,0]=4 1863 B8R1.43 NCC1CC1C(=O)O MCULE-8216751454 [1,0,0,1,0,0|2,0,0]=4 1864 B8R1.43 NC[C@@H]1C[C@H]1C(=O)O MCULE-3415372050 [1,0,0,1,0,0|2,0,0]=4 1865 B8R1.43 NC[C@@H]1C[C@H]1C(=O)O MCULE-6765918556 [1,0,0,1,0,0|2,0,0]=4 1866 B8R1.43 O=C(O)C1CC1CCl MCULE-8596410287 [1,0,0,1,0,0|2,0,0]=4 1867 B8R1.43 O=C(O)C1CC1CF MCULE-8263605468 [1,0,0,1,0,0|2,0,0]=4 1868 B8R1.43 O=C(O)C1CC1CO MCULE-5433690867 [1,0,0,1,0,0|1,0,0]=3 1869 B8R1.43 O=C(O)[C@@H]1C[C@H]1CCl MCULE-7560724994 [1,0,0,1,0,0|2,0,0]=4 1870 B8R1.43 O=C(O)[C@@H]1C[C@H]1CO MCULE-9657133495 [1,0,0,1,0,0|1,0,0]=3 1871 B8R1.43 O=C(O)[C@H]1C[C@@H]1CO MCULE-1395497386 [1,0,0,1,0,0|1,0,0]=3 1872 B8R1.62 CC1(CC(=O)C1)CO MCULE-4643412830 [1,0,0,1,0,0|2,0,0]=4 1873 B8R1.67 C[C@H]1[C@H]([C@@H]1C(=O)O)C MCULE-2637094670 [1,0,0,1,0,0|2,0,0]=4 1874 B8R1.5 CC1CCCOC1=O MCULE-5926029136 [1,0,0,1,0,0|2,0,0]=4 1875 B8R1.5 CC1CCOCC1=O MCULE-2481965177 [1,0,0,1,0,0|2,0,0]=4 1876 B8R1.5 O=C1CCCCC1O MCULE-7509366699 [1,0,0,1,0,0|2,0,0]=4 1877 B8R1.5 O=C1NCCCC1O MCULE-4922755542 [1,0,0,1,0,0|2,0,0]=4 1878 B8R1.5 O=C1NCCC[C@@H]1O MCULE-2813817931 [1,0,0,1,0,0|2,0,0]=4 1879 B8R1.5 O=C1NCCC[C@@H]1O MCULE-3354550946 [1,0,0,1,0,0|2,0,0]=4 1880 B8R1.5 O=C1NCCC[C@H]1O MCULE-2892218765 [1,0,0,1,0,0|2,0,0]=4 1881 B8R1.5 O=C1NCCC[C@H]1O MCULE-8394704933 [1,0,0,1,0,0|2,0,0]=4 1882 B8R1.5 O=C1OCCCC1Br MCULE-4407787541 [1,0,0,1,0,0|2,0,0]=4 1883 B8R1.5 O=C1OCCCC1O MCULE-3021418071 [1,0,0,1,0,0|1,0,0]=3 1884 B8R1.7 C1(CCNC1)C(=O)O MCULE-3210241958 [1,0,0,1,0,0|2,0,0]=4 1885 B8R1.7 C1(CCNC1)C(=O)O MCULE-6517290754 [1,0,0,1,0,0|2,0,0]=4 1886 B8R1.7 C1(CCOC1)C(=O)O MCULE-4859263225 [1,0,0,1,0,0|1,0,0]=3 1887 B8R1.7 CC(=O)C1CCCO1 MCULE-7518147693 [1,0,0,1,0,0|2,0,0]=4 1888 B8R1.7 CC(=O)C1CCOC1 MCULE-2105633909 [1,0,0,1,0,0|2,0,0]=4 1889 B8R1.7 CC(=O)[C@@H]1CCCO1 MCULE-2015960170 [1,0,0,1,0,0|2,0,0]=4 1890 B8R1.7 CC(=O)[C@@H]1CCCO1 MCULE-3381319090 [1,0,0,1,0,0|2,0,0]=4 1891 B8R1.7 CC(=O)[C@H]1CCCO1 MCULE-5637204370 [1,0,0,1,0,0|2,0,0]=4 1892 B8R1.7 NC(=O)C1CCCO1 MCULE-9101921416 [1,0,0,1,0,0|2,0,0]=4 1893 B8R1.7 NC(=O)C1CCOC1 MCULE-7120435380 [1,0,0,1,0,0|2,0,0]=4 1894 B8R1.7 NC(=O)[C@@H]1CCCO1 MCULE-3181755658 [1,0,0,1,0,0|2,0,0]=4 1895 B8R1.7 NC(=O)[C@@H]1CCCO1 MCULE-9348376356 [1,0,0,1,0,0|2,0,0]=4 1896 B8R1.7 NC(=O)[C@H]1CCOC1 MCULE-1231475693 [1,0,0,1,0,0|2,0,0]=4 1897 B8R1.7 O=C(Cl)C1CCCO1 MCULE-9691919934 [1,0,0,1,0,0|2,0,0]=4 1898 B8R1.7 O=C(Cl)C1CCOC1 MCULE-9071234830 [1,0,0,1,0,0|2,0,0]=4 1899 B8R1.7 O=C(O)C1=COCC1 MCULE-7263072561 [1,0,0,1,0,0|1,0,1]=4 1900 B8R1.7 O=C(O)C1=NOCC1 MCULE-3126584315 [1,0,0,1,0,0|1,0,1]=4 1901 B8R1.7 O=C(O)C1C=CCC1 MCULE-8870546284 [1,0,0,1,0,0|2,0,0]=4 1902 B8R1.7 O=C(O)C1CCC=N1 MCULE-1792151957 [1,0,0,1,0,0|2,0,0]=4 1903 B8R1.7 O=C(O)C1CCCC1 MCULE-6415159340 [1,0,0,1,0,0|2,0,0]=4 1904 B8R1.7 O=C(O)C1CCCN1 MCULE-2229401513 [1,0,0,1,0,0|2,0,0]=4 1905 B8R1.7 O=C(O)C1CCCN1 MCULE-6305507014 [1,0,0,1,0,0|2,0,0]=4 1906 B8R1.7 O=C(O)C1CCCN1 MCULE-8387491590 [1,0,0,1,0,0|2,0,0]=4 1907 B8R1.7 O=C(O)C1CCCN1 MCULE-8611160929 [1,0,0,1,0,0|2,0,0]=4 1908 B8R1.7 O=C(O)C1CCCO1 MCULE-1952289090 [1,0,0,1,0,0|1,0,0]=3 1909 B8R1.7 O=C(O)C1CCCO1 MCULE-5387481824 [1,0,0,1,0,0|1,0,0]=3 1910 B8R1.7 O=C(O)C1CCCS1 MCULE-7760686042 [1,0,0,1,0,0|1,1,0]=4 1911 B8R1.7 O=C(O)C1CCNC1 MCULE-4976520029 [1,0,0,1,0,0|2,0,0]=4 1912 B8R1.7 O=C(O)C1CCNC1 MCULE-5937045785 [1,0,0,1,0,0|2,0,0]=4 1913 B8R1.7 O=C(O)C1CCNC1 MCULE-6983695276 [1,0,0,1,0,0|2,0,0]=4 1914 B8R1.7 O=C(O)C1CCOC1 MCULE-3567941338 [1,0,0,1,0,0|1,0,0]=3 1915 B8R1.7 O=C(O)C1CCSC1 MCULE-7898686734 [1,0,0,1,0,0|1,1,0]=4 1916 B8R1.7 O=C(O)C1COCN1 MCULE-4997392610 [1,0,0,1,0,0|2,0,0]=4 1917 B8R1.7 O=C(O)C1COCN1 MCULE-7001651226 [1,0,0,1,0,0|2,0,0]=4 1918 B8R1.7 O=C(O)[C@@H]1CCCN1 MCULE-1020921088 [1,0,0,1,0,0|2,0,0]=4 1919 B8R1.7 O=C(O)[C@@H]1CCCN1 MCULE-6398060480 [1,0,0,1,0,0|2,0,0]=4 1920 B8R1.7 O=C(O)[C@@H]1CCCN1 MCULE-6772131264 [1,0,0,1,0,0|2,0,0]=4 1921 B8R1.7 O=C(O)[C@@H]1CCCN1 MCULE-8415049837 [1,0,0,1,0,0|2,0,0]=4 1922 B8R1.7 O=C(O)[C@@H]1CCCO1 MCULE-5193388500 [1,0,0,1,0,0|1,0,0]=3 1923 B8R1.7 O=C(O)[C@@H]1CCCO1 MCULE-8181760406 [1,0,0,1,0,0|1,0,0]=3 1924 B8R1.7 O=C(O)[C@@H]1CCNC1 MCULE-3068007507 [1,0,0,1,0,0|2,0,0]=4 1925 B8R1.7 O=C(O)[C@@H]1CCNC1 MCULE-4477578687 [1,0,0,1,0,0|2,0,0]=4 1926 B8R1.7 O=C(O)[C@@H]1CCNC1 MCULE-4524201006 [1,0,0,1,0,0|2,0,0]=4 1927 B8R1.7 O=C(O)[C@@H]1CCNC1 MCULE-4868292658 [1,0,0,1,0,0|2,0,0]=4 1928 B8R1.7 O=C(O)[C@@H]1CCOC1 MCULE-4807765276 [1,0,0,1,0,0|1,0,0]=3 1929 B8R1.7 O=C(O)[C@@H]1CCOC1 MCULE-7912413581 [1,0,0,1,0,0|1,0,0]=3 1930 B8R1.7 O=C(O)[C@@H]1COCN1 MCULE-1547472283 [1,0,0,1,0,0|2,0,0]=4 1931 B8R1.7 O=C(O)[C@@H]1COCN1 MCULE-1876089066 [1,0,0,1,0,0|2,0,0]=4 1932 B8R1.7 O=C(O)[C@@H]1COCN1 MCULE-1926856350 [1,0,0,1,0,0|2,0,0]=4 1933 B8R1.7 O=C(O)[C@@H]1COCN1 MCULE-9876695932 [1,0,0,1,0,0|2,0,0]=4 1934 B8R1.7 O=C(O)[C@H]1CCCN1 MCULE-5856142508 [1,0,0,1,0,0|2,0,0]=4 1935 B8R1.7 O=C(O)[C@H]1CCCN1 MCULE-7748032436 [1,0,0,1,0,0|2,0,0]=4 1936 B8R1.7 O=C(O)[C@H]1CCCO1 MCULE-2258024439 [1,0,0,1,0,0|1,0,0]=3 1937 B8R1.7 O=C(O)[C@H]1CCCO1 MCULE-5143953192 [1,0,0,1,0,0|1,0,0]=3 1938 B8R1.7 O=C(O)[C@H]1CCNC1 MCULE-2003400674 [1,0,0,1,0,0|2,0,0]=4 1939 B8R1.7 O=C(O)[C@H]1CCNC1 MCULE-2851087395 [1,0,0,1,0,0|2,0,0]=4 1940 B8R1.7 O=C(O)[C@H]1CCNC1 MCULE-7223432888 [1,0,0,1,0,0|2,0,0]=4 1941 B8R1.7 O=C(O)[C@H]1CCNC1 MCULE-7610384670 [1,0,0,1,0,0|2,0,0]=4 1942 B8R1.7 O=C(O)[C@H]1CCOC1 MCULE-3213766488 [1,0,0,1,0,0|1,0,0]=3 1943 B8R1.7 O=C(O)[C@H]1CCOC1 MCULE-9627397250 [1,0,0,1,0,0|1,0,0]=3 1944 B8R1.23 CC(=O)C1CC(C1)O MCULE-1249992642 [1,0,0,1,0,0|2,0,0]=4 1945 B8R1.23 CC1CC(C1)C(=O)O MCULE-2185016477 [1,0,0,1,0,0|2,0,0]=4 1946 B8R1.23 CC1CC(N1)C(=O)O MCULE-2803934033 [1,0,0,1,0,0|2,0,0]=4 1947 B8R1.23 C[C@@H]1C[C@H](N1)C(=O)O MCULE-6318758002 [1,0,0,1,0,0|2,0,0]=4 1948 B8R1.23 C[C@H]1C[C@@H](C1)C(=O)O MCULE-1777784731 [1,0,0,1,0,0|2,0,0]=4 1949 B8R1.23 C[C@H]1C[C@H](C1)C(=O)O MCULE-8951813405 [1,0,0,1,0,0|2,0,0]=4 1950 B8R1.23 C[C@H]1C[C@H](N1)C(=O)O MCULE-2969381793 [1,0,0,1,0,0|2,0,0]=4 1951 B8R1.23 NC(=O)C1CC(C1)O MCULE-5735068093 [1,0,0,1,0,0|2,0,0]=4 1952 B8R1.23 NC1CC(C1)C(=O)O MCULE-8750839632 [1,0,0,1,0,0|2,0,0]=4 1953 B8R1.23 NC1CC(C1)C(=O)O MCULE-9051964103 [1,0,0,1,0,0|2,0,0]=4 1954 B8R1.23 N[C@H]1C[C@@H](C1)C(=O)O MCULE-1844060803 [1,0,0,1,0,0|2,0,0]=4 1955 B8R1.23 N[C@H]1C[C@@H](C1)C(=O)O MCULE-2707924504 [1,0,0,1,0,0|2,0,0]=4 1956 B8R1.23 N[C@H]1C[C@H](C1)C(=O)O MCULE-3847725342 [1,0,0,1,0,0|2,0,0]=4 1957 B8R1.23 N[C@H]1C[C@H](C1)C(=O)O MCULE-4578532365 [1,0,0,1,0,0|2,0,0]=4 1958 B8R1.23 O=C(O)C1CC(C1)Br MCULE-8162503332 [1,0,0,1,0,0|2,0,0]=4 1959 B8R1.23 O=C(O)C1CC(C1)Cl MCULE-7489933597 [1,0,0,1,0,0|2,0,0]=4 1960 B8R1.23 O=C(O)C1CC(C1)F MCULE-7905028761 [1,0,0,1,0,0|2,0,0]=4 1961 B8R1.23 O=C(O)C1CC(C1)O MCULE-4341192467 [1,0,0,1,0,0|1,0,0]=3 1962 B8R1.23 O=C(O)[C@H]1C[C@@H](C1)Br MCULE-1173253398 [1,0,0,1,0,0|2,0,0]=4 1963 B8R1.23 O=C(O)[C@H]1C[C@@H](C1)F MCULE-4909435716 [1,0,0,1,0,0|2,0,0]=4 1964 B8R1.23 O=C(O)[C@H]1C[C@@H](C1)O MCULE-9908072079 [1,0,0,1,0,0|1,0,0]=3 1965 B8R1.23 O=C(O)[C@H]1C[C@H](C1)Br MCULE-9142067708 [1,0,0,1,0,0|2,0,0]=4 1966 B8R1.23 O=C(O)[C@H]1C[C@H](C1)F MCULE-7816380416 [1,0,0,1,0,0|2,0,0]=4 1967 B8R1.23 O=C(O)[C@H]1C[C@H](C1)O MCULE-5181925767 [1,0,0,1,0,0|1,0,0]=3 1968 B8R1.23 O=C1CC(O1)C(=O)O MCULE-1791104685 [1,0,0,1,0,0|0,0,2]=4 1969 B8R1.23 [C@@H]1(C[C@@H](C1)C(=O)O)Cl MCULE-4605935494 [1,0,0,1,0,0|2,0,0]=4 1970 B8R1.30 CC1(CC1Br)C(=O)O MCULE-8673991477 [1,0,0,1,0,0|2,0,0]=4 1971 B8R1.30 CC1(CC1F)C(=O)O MCULE-8465675013 [1,0,0,1,0,0|2,0,0]=4 1972 B8R1.30 CC1CC1(C)C(=O)O MCULE-8330983425 [1,0,0,1,0,0|2,0,0]=4 1973 B8R1.30 C[C@@]1(C[C@@H]1Br)C(=O)O MCULE-1474744945 [1,0,0,1,0,0|2,0,0]=4 1974 B8R1.30 C[C@]1(C[C@@H]1F)C(=O)O MCULE-3210206701 [1,0,0,1,0,0|2,0,0]=4 1975 B8R1.30 C[C@]1(C[C@H]1F)C(=O)O MCULE-6362421682 [1,0,0,1,0,0|2,0,0]=4 1976 B8R1.30 C[C@]1(C[C@H]1F)C(=O)O MCULE-9963754001 [1,0,0,1,0,0|2,0,0]=4 1977 B8R1.54 C(N)(C(=O)O)C1CC1 MCULE-4833544032 [1,0,0,1,0,0|2,0,0]=4 1978 B8R1.54 CC(C(=O)O)C1CC1 MCULE-9343385076 [1,0,0,1,0,0|2,0,0]=4 1979 B8R1.54 NC(=O)C(O)C1CC1 MCULE-4055290448 [1,0,0,1,0,0|2,0,0]=4 1980 B8R1.54 NC(C(=O)O)C1CC1 MCULE-1974514713 [1,0,0,1,0,0|2,0,0]=4 1981 B8R1.54 NC(C(=O)O)C1CC1 MCULE-3126466096 [1,0,0,1,0,0|2,0,0]=4 1982 B8R1.54 N[C@@H](C(=O)O)C1CC1 MCULE-5662004537 [1,0,0,1,0,0|2,0,0]=4 1983 B8R1.54 N[C@@H](C(=O)O)C1CC1 MCULE-9004548949 [1,0,0,1,0,0|2,0,0]=4 1984 B8R1.54 N[C@H](C(=O)O)C1CC1 MCULE-4323013494 [1,0,0,1,0,0|2,0,0]=4 1985 B8R1.54 N[C@H](C(=O)O)C1CC1 MCULE-9475774396 [1,0,0,1,0,0|2,0,0]=4 1986 B8R1.54 O=C(O)C(F)C1CC1 MCULE-4799246955 [1,0,0,1,0,0|2,0,0]=4 1987 B8R1.54 O=C(O)C(O)C1CC1 MCULE-9945035089 [1,0,0,1,0,0|1,0,0]=3 1988 B8R1.54 O=C(O)[C@@H](O)C1CC1 MCULE-2409990996 [1,0,0,1,0,0|1,0,0]=3 1989 B8R1.54 O=C(O)[C@H](O)C1CC1 MCULE-2255829314 [1,0,0,1,0,0|1,0,0]=3 1990 B8R1.78 CC(=O)C1(CCC1)O MCULE-9112690180 [1,0,0,1,0,0|2,0,0]=4 1991 B8R1.78 CC1(CCC1)C(=O)O MCULE-8539228760 [1,0,0,1,0,0|2,0,0]=4 1992 B8R1.78 CC1(CCO1)C(=O)O MCULE-3206195959 [1,0,0,1,0,0|1,0,0]=3 1993 B8R1.78 C[C@@]1(CCO1)C(=O)O MCULE-1153504060 [1,0,0,1,0,0|1,0,0]=3 1994 B8R1.78 NC(=O)C1(CCC1)O MCULE-9017924933 [1,0,0,1,0,0|2,0,0]=4 1995 B8R1.78 NC1(CCC1)C(=O)O MCULE-7741753062 [1,0,0,1,0,0|2,0,0]=4 1996 B8R1.78 NC1(CCC1)C(=O)O MCULE-8986168461 [1,0,0,1,0,0|2,0,0]=4 1997 B8R1.78 O=C(O)C1(CCC1)Br MCULE-2468093858 [1,0,0,1,0,0|2,0,0]=4 1998 B8R1.78 O=C(O)C1(CCC1)F MCULE-5784376163 [1,0,0,1,0,0|2,0,0]=4 1999 B8R1.78 O=C(O)C1(CCC1)O MCULE-3418659917 [1,0,0,1,0,0|1,0,0]=3 2000 B8R1.78 O=C(O)C1(CNC1)O MCULE-3436636334 [1,0,0,1,0,0|2,0,0]=4 2001 B8R1.78 O=C(O)C1(CNC1)O MCULE-4261639250 [1,0,0,1,0,0|2,0,0]=4 2002 B8R1.78 O=C(O)C1(COC1)O MCULE-7009915692 [1,0,0,1,0,0|2,0,0]=4 2003 B8R1.11 OCC1OCCC1O MCULE-2601628372 [1,0,0,1,0,0|1,0,1]=4 2004 B8R1.11 OC[C@H]1OC=C[C@@H]1O MCULE-7880756266 [1,0,0,1,0,0|1,0,0]=3 2005 B8R1.11 OC[C@H]1OCC[C@@H]1O MCULE-4089527318 [1,0,0,1,0,0|1,0,1]=4 2006 B8R1.11 OC[C@H]1OCC[C@@H]1O MCULE-9198335558 [1,0,0,1,0,0|1,0,1]=4 2007 B8R1.50 N[C@@H]1C(=O)NC[C@H]1O MCULE-6840872048 [1,0,0,1,0,0|2,0,0]=4 2008 B8R1.50 O=C1OCC(C1O)O MCULE-9766741798 [1,0,0,1,0,0|0,0,0]=2 2009 B8R1.50 O=C1OC[C@@H]([C@@H]1Br)O MCULE-5447777048 [1,0,0,1,0,0|1,0,0]=3 2010 B8R1.50 O=C1OC[C@@H]([C@@H]1Br)O MCULE-8691985034 [1,0,0,1,0,0|1,0,0]=3 2011 B8R1.50 O=C1OC[C@@H]([C@@H]1O)O MCULE-8629460196 [1,0,0,1,0,0|0,0,0]=2 2012 B8R1.50 O=C1OC[C@@H]([C@H]1O)O MCULE-7303431003 [1,0,0,1,0,0|0,0,0]=2 2013 B8R1.50 O=C1OC[C@H]([C@H]1O)O MCULE-4704805755 [1,0,0,1,0,0|0,0,0]=2 2014 B8R1.50 O=C1OC[C@H]([C@H]1O)O MCULE-7070309718 [1,0,0,1,0,0|0,0,0]=2 2015 B8R1.50 O=C1OC[C@H]([C@H]1O)O MCULE-7824820688 [1,0,0,1,0,0|0,0,0]=2 2016 B8R1.50 OC1COC(C1O)O MCULE-2562953459 [1,0,0,1,0,0|0,0,1]=3 2017 B8R1.50 OC1OC[C@@H]([C@H]1O)O MCULE-4484765937 [1,0,0,1,0,0|0,0,1]=3 2018 B8R1.50 OC1OC[C@H]([C@@H]1O)O MCULE-4663451850 [1,0,0,1,0,0|0,0,1]=3 2019 B8R1.77 CC1(CC1C(=O)O)Br MCULE-8354202393 [1,0,0,1,0,0|2,0,0]=4 2020 B8R1.77 CC1(CC1C(=O)O)C MCULE-1018303180 [1,0,0,1,0,0|2,0,0]=4 2021 B8R1.77 CC1(C[C@@H]1C(=O)O)C MCULE-8058233700 [1,0,0,1,0,0|2,0,0]=4 2022 B8R1.77 CC1(C[C@@H]1C(=O)O)C MCULE-8306311088 [1,0,0,1,0,0|2,0,0]=4 2023 B8R1.77 CC1(C[C@H]1C(=O)O)C MCULE-1908265175 [1,0,0,1,0,0|2,0,0]=4 2024 B8R1.77 CC1(OC1C(=O)O)C MCULE-6178976856 [1,0,0,1,0,0|1,0,0]=3 2025 B10R1.22 CC1CC(C(C(O1)O)O)O MCULE-5231916221 [0,0,0,1,0,1|1,0,1]=4 2026 B10R1.64 CC(=O)N[C@@H]1COC[C@@H]1O MCULE-1869672029 [0,0,0,1,0,1|2,0,0]=4 2027 B10R1.64 CC(=O)N[C@H]1COC[C@@H]1O MCULE-6592510964 [0,0,0,1,0,1|2,0,0]=4 2028 B10R1.58 N[C@@H]1C[C@@H](C[C@H]1O)C(=O)O MCULE-2019095795 [0,0,0,1,0,1|2,0,0]=4 2029 B10R1.58 N[C@@H]1C[C@@H](C[C@H]1O)C(=O)O MCULE-7012514700 [0,0,0,1,0,1|2,0,0]=4 2030 B10R1.113 CC1COCC(N1)C(=O)O MCULE-6739051094 [0,0,0,1,0,1|2,0,0]=4 2031 B10R1.113 NC1CCOC(C1)C(=O)O MCULE-7071803947 [0,0,0,1,0,1|2,0,0]=4 2032 B10R1.113 NC1CCOC(C1)C(=O)O MCULE-7129710557 [0,0,0,1,0,1|2,0,0]=4 2033 B10R1.113 N[C@@H]1CCO[C@H](C1)C(=O)O MCULE-5264166397 [0,0,0,1,0,1|2,0,0]=4 2034 B10R1.113 N[C@@H]1CCO[C@H](C1)C(=O)O MCULE-6153195788 [0,0,0,1,0,1|2,0,0]=4 2035 B10R1.113 O=C(O)C1CC(CCN1)O MCULE-2758341308 [0,0,0,1,0,1|2,0,0]=4 2036 B10R1.113 O=C(O)C1CC(CCN1)O MCULE-7585455422 [0,0,0,1,0,1|2,0,0]=4 2037 B10R1.113 O=C(O)C1CCCC(C1)O MCULE-9068909742 [0,0,0,1,0,1|2,0,0]=4 2038 B10R1.113 O=C(O)C1CNCC(C1)O MCULE-1307689360 [0,0,0,1,0,1|2,0,0]=4 2039 B10R1.113 O=C(O)C1CNCC(C1)O MCULE-6671293935 [0,0,0,1,0,1|2,0,0]=4 2040 B10R1.113 O=C(O)[C@@H]1CCC[C@@H](C1)O MCULE-1509835362 [0,0,0,1,0,1|2,0,0]=4 2041 B10R1.113 O=C(O)[C@@H]1CCC[C@@H](C1)O MCULE-2282540668 [0,0,0,1,0,1|2,0,0]=4 2042 B10R1.113 O=C(O)[C@@H]1CCC[C@H](C1)O MCULE-2678948022 [0,0,0,1,0,1|2,0,0]=4 2043 B10R1.113 O=C(O)[C@@H]1CCC[C@H](C1)O MCULE-6048774329 [0,0,0,1,0,1|2,0,0]=4 2044 B10R1.113 O=C(O)[C@@H]1C[C@@H](CCN1)O MCULE-1390000123 [0,0,0,1,0,1|2,0,0]=4 2045 B10R1.113 O=C(O)[C@@H]1C[C@@H](CCN1)O MCULE-5873942206 [0,0,0,1,0,1|2,0,0]=4 2046 B10R1.113 O=C(O)[C@@H]1C[C@H](CCN1)O MCULE-5317131791 [0,0,0,1,0,1|2,0,0]=4 2047 B10R1.113 O=C(O)[C@H]1CCC[C@@H](C1)O MCULE-1308626340 [0,0,0,1,0,1|2,0,0]=4 2048 B10R1.113 O=C(O)[C@H]1CCC[C@@H](C1)O MCULE-5789638591 [0,0,0,1,0,1|2,0,0]=4 2049 B10R1.113 O=C(O)[C@H]1CCC[C@H](C1)O MCULE-3370494896 [0,0,0,1,0,1|2,0,0]=4 2050 B10R1.113 O=C(O)[C@H]1CCC[C@H](C1)O MCULE-3728932412 [0,0,0,1,0,1|2,0,0]=4 2051 B10R1.113 O=C(O)[C@H]1C[C@@H](CCN1)O MCULE-1474484031 [0,0,0,1,0,1|2,0,0]=4 2052 B10R1.113 O=C(O)[C@H]1C[C@@H](CCN1)O MCULE-1820373402 [0,0,0,1,0,1|2,0,0]=4 2053 B10R1.113 O=C(O)[C@H]1C[C@@H](CCN1)O MCULE-4771226737 [0,0,0,1,0,1|2,0,0]=4 2054 B10R1.113 O=C(O)[C@H]1C[C@@H](CCN1)O MCULE-4907773186 [0,0,0,1,0,1|2,0,0]=4 2055 B10R1.113 O=C(O)[C@H]1C[C@@H](CCN1)O MCULE-8175624129 [0,0,0,1,0,1|2,0,0]=4 2056 B10R1.113 O=C(O)[C@H]1C[C@H](CCN1)O MCULE-4751772547 [0,0,0,1,0,1|2,0,0]=4 2057 B10R1.113 O=C(O)[C@H]1C[C@H](CCN1)O MCULE-6686826243 [0,0,0,1,0,1|2,0,0]=4 2058 B10R1.118 CC1OC(C(CC1O)O)O MCULE-8444631681 [0,0,0,1,0,1|1,0,1]=4 2059 B10R1.118 C[C@H]1O[C@@H]([C@H](C[C@@H]1O)O)O MCULE-7302298301 [0,0,0,1,0,1|1,0,1]=4 2060 B10R1.118 O=C1OC(=O)C(SC1O)O MCULE-2592743476 [0,0,0,1,0,1|0,0,2]=4 2061 B10R1.176 O=C1C=C[C@@H](OC1O)CO MCULE-7405836698 [0,0,0,1,0,1|2,0,0]=4 2062 B10R1.204 O=C(O)[C@H](O)CC1CCC1 MCULE-8975040339 [0,0,0,1,0,1|2,0,0]=4 2063 B10R1.470 CC1(CC(CN1)O)C(=O)O MCULE-1962390815 [0,0,0,1,0,1|2,0,0]=4 2064 B10R1.470 CC1(CC(CN1)O)C(=O)O MCULE-3381499671 [0,0,0,1,0,1|2,0,0]=4 2065 B10R1.490 NC1(CC(C1)CO)C(=O)O MCULE-1855927879 [0,0,0,1,0,1|2,0,0]=4 2066 B10R1.490 N[C@@]1(C[C@H](C1)CO)C(=O)O MCULE-2462435991 [0,0,0,1,0,1|2,0,0]=4 2067 B10R1.23 CC(C(=O)O)C1CCCO1 MCULE-7845267101 [0,1,0,1,0,0|2,0,0]=4 2068 B10R1.23 CC(C(=O)O)C1CCOC1 MCULE-7866218529 [0,1,0,1,0,0|2,0,0]=4 2069 B10R1.23 NC(C(=O)O)C1CCCO1 MCULE-3670924700 [0,1,0,1,0,0|2,0,0]=4 2070 B10R1.23 NC(C(=O)O)C1CCOC1 MCULE-9063647673 [0,1,0,1,0,0|2,0,0]=4 2071 B10R1.23 O=C(O)C(F)C1CCOC1 MCULE-4380204267 [0,1,0,1,0,0|2,0,0]=4 2072 B10R1.23 O=C(O)C(O)C1CCCC1 MCULE-1471598195 [0,1,0,1,0,0|2,0,0]=4 2073 B10R1.23 O=C(O)C(O)C1CCNC1 MCULE-8304713060 [0,1,0,1,0,0|2,0,0]=4 2074 B10R1.23 O=C(O)[C@H](O)C1CCCC1 MCULE-1883242923 [0,1,0,1,0,0|2,0,0]=4 2075 B10R1.34 C=C1O[C@H]([C@@H]([C@@H]1O)O)OC MCULE-9037136761 [0,1,0,1,0,0|1,0,0]=3 2076 B10R1.34 O=C1OC(C(C1O)O)CO MCULE-4992937478 [0,1,0,1,0,0|0,0,0]=2 2077 B10R1.34 O=C1O[C@@H]([C@@H]([C@@H]1O)O)CO MCULE-4238222743 [0,1,0,1,0,0|0,0,0]=2 2078 B10R1.34 O=C1O[C@@H]([C@@H]([C@@H]1O)O)CO MCULE-8746085882 [0,1,0,1,0,0|0,0,0]=2 2079 B10R1.34 O=C1O[C@@H]([C@@H]([C@H]1O)O)CO MCULE-1302555586 [0,1,0,1,0,0|0,0,0]=2 2080 B10R1.34 O=C1O[C@@H]([C@@H]([C@H]1O)O)CO MCULE-6947519194 [0,1,0,1,0,0|0,0,0]=2 2081 B10R1.34 O=C1O[C@@H]([C@H]([C@@H]1O)O)CO MCULE-3419728176 [0,1,0,1,0,0|0,0,0]=2 2082 B10R1.34 O=C1O[C@@H]([C@H]([C@H]1F)O)CO MCULE-9538867890 [0,1,0,1,0,0|1,0,0]=3 2083 B10R1.34 O=C1O[C@@H]([C@H]([C@H]1O)O)CO MCULE-1946078293 [0,1,0,1,0,0|0,0,0]=2 2084 B10R1.34 O=C1O[C@@H]([C@H]([C@H]1O)O)CO MCULE-4119913524 [0,1,0,1,0,0|0,0,0]=2 2085 B10R1.34 O=C1O[C@@H]([C@H]([C@H]1O)O)CO MCULE-7655191062 [0,1,0,1,0,0|0,0,0]=2 2086 B10R1.34 O=C1O[C@H]([C@@H]([C@@H]1O)O)CO MCULE-9668504351 [0,1,0,1,0,0|0,0,0]=2 2087 B10R1.34 O=C1O[C@H]([C@@H]([C@H]1O)O)CO MCULE-2196473829 [0,1,0,1,0,0|0,0,0]=2 2088 B10R1.34 O=C1O[C@H]([C@@H]([C@H]1O)O)CO MCULE-2293188422 [0,1,0,1,0,0|0,0,0]=2 2089 B10R1.34 O=C1O[C@H]([C@H]([C@H]1O)O)CO MCULE-7094668506 [0,1,0,1,0,0|0,0,0]=2 2090 B10R1.34 O=C1O[C@H]([C@H]([C@H]1O)O)CO MCULE-8957458384 [0,1,0,1,0,0|0,0,0]=2 2091 B10R1.34 OCC1OC(C(C1O)F)O MCULE-2207660627 [0,1,0,1,0,0|1,0,1]=4 2092 B10R1.34 OCC1OC(C(C1O)O)O MCULE-6940372378 [0,1,0,1,0,0|0,0,2]=4 2093 B10R1.34 OC[C@H]1OC([C@H](C1O)O)O MCULE-7204456313 [0,1,0,1,0,0|0,0,2]=4 2094 B10R1.34 OC[C@H]1OC([C@H]([C@@H]1O)O)O MCULE-4065300614 [0,1,0,1,0,0|0,0,2]=4 2095 B10R1.34 OC[C@H]1O[C@@H]([C@@H]([C@@H]1O)O)O MCULE-5542181665 [0,1,0,1,0,0|0,0,2]=4 2096 B10R1.34 OC[C@H]1O[C@@H]([C@H]([C@H]1O)O)O MCULE-9522337799 [0,1,0,1,0,0|0,0,2]=4 2097 B10R1.34 OC[C@H]1O[C@H]([C@H]([C@H]1O)O)O MCULE-1427364722 [0,1,0,1,0,0|0,0,2]=4 2098 B10R1.59 CC1CC(C(O1)C(=O)O)C MCULE-6609295709 [0,1,0,1,0,0|2,0,0]=4 2099 B10R1.61 CC1COCCC1C(=O)O MCULE-3541844170 [0,1,0,1,0,0|2,0,0]=4 2100 B10R1.61 NC1COCCC1C(=O)O MCULE-3475622537 [0,1,0,1,0,0|2,0,0]=4 2101 B10R1.61 N[C@H]1COCC[C@H]1C(=O)O MCULE-4608934385 [0,1,0,1,0,0|2,0,0]=4 2102 B10R1.61 N[C@H]1COCC[C@H]1C(=O)O MCULE-7590284479 [0,1,0,1,0,0|2,0,0]=4 2103 B10R1.61 O=C(O)C1CCCCC1O MCULE-4502285714 [0,1,0,1,0,0|2,0,0]=4 2104 B10R1.61 O=C(O)C1NCCCC1O MCULE-2981139992 [0,1,0,1,0,0|2,0,0]=4 2105 B10R1.61 O=C(O)[C@@H]1NCCC[C@H]1O MCULE-2224593354 [0,1,0,1,0,0|2,0,0]=4 2106 B10R1.61 O=C(O)[C@@H]1NCCC[C@H]1O MCULE-3743184576 [0,1,0,1,0,0|2,0,0]=4 2107 B10R1.61 O=C(O)[C@H]1NCCC[C@@H]1O MCULE-2137327596 [0,1,0,1,0,0|2,0,0]=4 2108 B10R1.61 O=C(O)[C@H]1NCCC[C@@H]1O MCULE-3028221093 [0,1,0,1,0,0|2,0,0]=4 2109 B10R1.61 O=C(O)[C@H]1NCCC[C@@H]1O MCULE-3468221525 [0,1,0,1,0,0|2,0,0]=4 2110 B10R1.61 O=C(O)[C@H]1NCCC[C@@H]1O MCULE-5449397815 [0,1,0,1,0,0|2,0,0]=4 2111 B10R1.61 O=C(O)[C@H]1NCCC[C@H]1O MCULE-2786788134 [0,1,0,1,0,0|2,0,0]=4 2112 B10R1.61 O=C(O)[C@H]1NCCC[C@H]1O MCULE-3262303247 [0,1,0,1,0,0|2,0,0]=4 2113 B10R1.61 O=C(O)[C@H]1NCCC[C@H]1O MCULE-4026886814 [0,1,0,1,0,0|2,0,0]=4 2114 B10R1.61 O=C(O)[C@H]1NCCC[C@H]1O MCULE-4165843552 [0,1,0,1,0,0|2,0,0]=4 2115 B10R1.495 CC(C(=O)O)C1(CCC1)O MCULE-2874864037 [0,1,0,1,0,0|2,0,0]=4 2116 B10R1.495 CC1(COC1)C(N)C(=O)O MCULE-3054998452 [0,1,0,1,0,0|2,0,0]=4 2117 B10R1.495 CC1(COC1)[C@H](N)C(=O)O MCULE-3689733091 [0,1,0,1,0,0|2,0,0]=4 2118 B10R1.495 O=C(O)C(O)C1(CCC1)O MCULE-5858632598 [0,1,0,1,0,0|1,0,0]=3 2119 B10R1.2 C1(C=COC(C1O)CO)O MCULE-4150827844 [0,1,0,1,0,0|1,0,1]=4 2120 B10R1.2 OC[C@H]1OC=C[C@H]([C@@H]1O)O MCULE-2319652394 [0,1,0,1,0,0|1,0,1]=4 2121 B10R1.2 OC[C@H]1OC=C[C@H]([C@@H]1O)O MCULE-8693280045 [0,1,0,1,0,0|1,0,1]=4 2122 B10R1.2 OC[C@H]1OC=C[C@H]([C@H]1O)O MCULE-3153067382 [0,1,0,1,0,0|1,0,1]=4 2123 B10R1.2 OC[C@H]1OC=C[C@H]([C@H]1O)O MCULE-5842959899 [0,1,0,1,0,0|1,0,1]=4 2124 B10R1.119 NC1OCC(C(C1O)O)O MCULE-2372191067 [0,1,0,1,0,0|1,0,1]=4 2125 B10R1.119 N[C@H]1C(OC[C@H]([C@H]1O)O)O MCULE-2962817888 [0,1,0,1,0,0|1,0,1]=4 2126 B10R1.119 N[C@H]1C(OC[C@H]([C@H]1O)O)O MCULE-8337656484 [0,1,0,1,0,0|1,0,1]=4 2127 B10R1.119 OC1C=CC(C(C1O)O)O MCULE-3093814707 [0,1,0,1,0,0|1,0,1]=4 2128 B10R1.119 OC1COC(C(C1O)O)O MCULE-9012637888 [0,1,0,1,0,0|0,0,2]=4 2129 B10R1.119 OC1OC[C@@H]([C@@H]([C@@H]1O)O)O MCULE-8685967738 [0,1,0,1,0,0|0,0,2]=4 2130 B10R1.119 OC1OC[C@@H]([C@@H]([C@H]1O)O)O MCULE-3567006630 [0,1,0,1,0,0|0,0,2]=4 2131 B10R1.119 OC1OC[C@@H]([C@@H]([C@H]1O)O)O MCULE-6153872044 [0,1,0,1,0,0|0,0,2]=4 2132 B10R1.119 OC1OC[C@@H]([C@H]([C@H]1O)O)O MCULE-2115460439 [0,1,0,1,0,0|0,0,2]=4 2133 B10R1.119 OC1OC[C@@H]([C@H]([C@H]1O)O)O MCULE-3557530345 [0,1,0,1,0,0|0,0,2]=4 2134 B10R1.119 OC1OC[C@H]([C@@H]([C@@H]1O)O)O MCULE-1146473136 [0,1,0,1,0,0|0,0,2]=4 2135 B10R1.119 OC1OC[C@H]([C@@H]([C@@H]1O)O)O MCULE-8580385628 [0,1,0,1,0,0|0,0,2]=4 2136 B10R1.119 OC1OC[C@H]([C@@H]([C@H]1O)O)O MCULE-5101119310 [0,1,0,1,0,0|0,0,2]=4 2137 B10R1.119 OC1OC[C@H]([C@@H]([C@H]1O)O)O MCULE-6712291045 [0,1,0,1,0,0|0,0,2]=4 2138 B10R1.119 OC1OC[C@H]([C@H](C1O)O)O MCULE-4495295680 [0,1,0,1,0,0|0,0,2]=4 2139 B10R1.119 OC1OC[C@H]([C@H]([C@@H]1O)O)O MCULE-4923660038 [0,1,0,1,0,0|0,0,2]=4 2140 B10R1.119 OC1OC[C@H]([C@H]([C@@H]1O)O)O MCULE-9067564650 [0,1,0,1,0,0|0,0,2]=4 2141 B10R1.119 OC1OC[C@H]([C@H]([C@H]1O)O)O MCULE-5407662391 [0,1,0,1,0,0|0,0,2]=4 2142 B10R1.119 OC1OC[C@H]([C@H]([C@H]1O)O)O MCULE-5843430183 [0,1,0,1,0,0|0,0,2]=4 2143 B10R1.119 OC1[C@@H](OC[C@H]([C@H]1O)O)O MCULE-9352209918 [0,1,0,1,0,0|0,0,2]=4 2144 B10R1.119 O[C@H]1C=C[C@H]([C@@H]([C@@H]1O)O)O MCULE-8706815413 [0,1,0,1,0,0|1,0,1]=4 2145 B10R1.119 O[C@H]1C=C[C@H]([C@H]([C@H]1O)O)O MCULE-6111567849 [0,1,0,1,0,0|1,0,1]=4 2146 B10R1.119 O[C@H]1CO[C@@H]([C@@H]([C@@H]1O)O)O MCULE-6141698617 [0,1,0,1,0,0|0,0,2]=4 2147 B10R1.119 O[C@H]1CO[C@@H]([C@@H]([C@H]1O)O)O MCULE-3308600336 [0,1,0,1,0,0|0,0,2]=4 2148 B10R1.119 O[C@H]1CO[C@@H]([C@@H]([C@H]1O)O)O MCULE-8705835748 [0,1,0,1,0,0|0,0,2]=4 2149 B10R1.119 O[C@H]1CO[C@H]([C@@H]([C@@H]1O)O)O MCULE-3888115612 [0,1,0,1,0,0|0,0,2]=4 2150 B10R1.119 O[C@H]1CO[C@H]([C@@H]([C@H]1O)O)O MCULE-9731791240 [0,1,0,1,0,0|0,0,2]=4 2151 B10R1.119 O[C@H]1OC[C@H]([C@@H]([C@H]1O)O)O MCULE-4707689321 [0,1,0,1,0,0|0,0,2]=4 2152 B10R1.119 O[C@H]1OC[C@H]([C@@H]([C@H]1O)O)O MCULE-5117456353 [0,1,0,1,0,0|0,0,2]=4 2153 B10R1.119 O[C@H]1[C@@H](CO[C@H]([C@@H]1O)O)O MCULE-2748557639 [0,1,0,1,0,0|0,0,2]=4 2154 B10R1.149 COC(=O)C1CCCC1O MCULE-3674845958 [0,1,0,1,0,0|2,0,0]=4 2155 B10R1.149 COC(=O)C1COCC1N MCULE-4643249679 [0,1,0,1,0,0|2,0,0]=4 2156 B10R1.149 COC(=O)C1COCC1N MCULE-5720773592 [0,1,0,1,0,0|2,0,0]=4 2157 B10R1.149 COC(=O)C1NCCC1O MCULE-7668238984 [0,1,0,1,0,0|2,0,0]=4 2158 B10R1.149 COC(=O)C1NCCC1O MCULE-8444325552 [0,1,0,1,0,0|2,0,0]=4 2159 B10R1.149 COC(=O)[C@@H]1COC[C@@H]1N MCULE-2028778520 [0,1,0,1,0,0|2,0,0]=4 2160 B10R1.149 COC(=O)[C@@H]1COC[C@H]1N MCULE-2770189409 [0,1,0,1,0,0|2,0,0]=4 2161 B10R1.149 COC(=O)[C@@H]1COC[C@H]1N MCULE-9601097180 [0,1,0,1,0,0|2,0,0]=4 2162 B10R1.149 COC(=O)[C@@H]1NCC[C@@H]1O MCULE-3563774658 [0,1,0,1,0,0|2,0,0]=4 2163 B10R1.149 COC(=O)[C@@H]1NCC[C@@H]1O MCULE-4025671364 [0,1,0,1,0,0|2,0,0]=4 2164 B10R1.149 COC(=O)[C@@H]1NCC[C@@H]1O MCULE-4085872822 [0,1,0,1,0,0|2,0,0]=4 2165 B10R1.149 COC(=O)[C@@H]1NCC[C@@H]1O MCULE-5987049143 [0,1,0,1,0,0|2,0,0]=4 2166 B10R1.149 COC(=O)[C@@H]1NCC[C@H]1O MCULE-7580132055 [0,1,0,1,0,0|2,0,0]=4 2167 B10R1.149 COC(=O)[C@@H]1NCC[C@H]1O MCULE-8046366255 [0,1,0,1,0,0|2,0,0]=4 2168 B10R1.149 COC(=O)[C@@H]1NCC[C@H]1O MCULE-8054998969 [0,1,0,1,0,0|2,0,0]=4 2169 B10R1.149 COC(=O)[C@@H]1NCC[C@H]1O MCULE-9150462314 [0,1,0,1,0,0|2,0,0]=4 2170 B10R1.149 COC(=O)[C@H]1CCC[C@H]1O MCULE-9551218859 [0,1,0,1,0,0|2,0,0]=4 2171 B10R1.149 COC(=O)[C@H]1CNC[C@H]1O MCULE-3516416146 [0,1,0,1,0,0|2,0,0]=4 2172 B10R1.149 COC(=O)[C@H]1CNC[C@H]1O MCULE-5550156083 [0,1,0,1,0,0|2,0,0]=4 2173 B10R1.149 COC(=O)[C@H]1COC[C@@H]1N MCULE-3460136130 [0,1,0,1,0,0|2,0,0]=4 2174 B10R1.149 COC(=O)[C@H]1COC[C@@H]1N MCULE-9139612146 [0,1,0,1,0,0|2,0,0]=4 2175 B10R1.149 COC(=O)[C@H]1COC[C@H]1N MCULE-5871041714 [0,1,0,1,0,0|2,0,0]=4 2176 B10R1.149 COC(=O)[C@H]1COC[C@H]1N MCULE-6548766790 [0,1,0,1,0,0|2,0,0]=4 2177 B10R1.149 COC(=O)[C@H]1COC[C@H]1N MCULE-7696136714 [0,1,0,1,0,0|2,0,0]=4 2178 B10R1.149 COC(=O)[C@H]1COC[C@H]1N MCULE-8815307889 [0,1,0,1,0,0|2,0,0]=4 2179 B10R1.149 COC(=O)[C@H]1COC[C@H]1N MCULE-9302309227 [0,1,0,1,0,0|2,0,0]=4 2180 B10R1.149 COC(=O)[C@H]1COC[C@H]1N MCULE-9730204585 [0,1,0,1,0,0|2,0,0]=4 2181 B10R1.149 COC(=O)[C@H]1NCC[C@@H]1O MCULE-1707749919 [0,1,0,1,0,0|2,0,0]=4 2182 B10R1.149 COC(=O)[C@H]1NCC[C@@H]1O MCULE-2162736804 [0,1,0,1,0,0|2,0,0]=4 2183 B10R1.149 COC(=O)[C@H]1NCC[C@@H]1O MCULE-2328775326 [0,1,0,1,0,0|2,0,0]=4 2184 B10R1.149 COC(=O)[C@H]1NCC[C@@H]1O MCULE-6152782400 [0,1,0,1,0,0|2,0,0]=4 2185 B10R1.149 COC(=O)[C@H]1NCC[C@H]1O MCULE-3447587166 [0,1,0,1,0,0|2,0,0]=4 2186 B10R1.149 COC(=O)[C@H]1NCC[C@H]1O MCULE-5783585395 [0,1,0,1,0,0|2,0,0]=4 2187 B10R1.149 COC(=O)[C@H]1NCC[C@H]1O MCULE-7552928230 [0,1,0,1,0,0|2,0,0]=4 2188 B10R1.149 COC(=O)[C@H]1NCC[C@H]1O MCULE-8961364493 [0,1,0,1,0,0|2,0,0]=4 2189 B10R1.149 [C@@H]1(CCN[C@@H]1C(=O)OC)O MCULE-3575931306 [0,1,0,1,0,0|2,0,0]=4 2190 B10R1.149 [C@@H]1(CCN[C@@H]1C(=O)OC)O MCULE-5233829978 [0,1,0,1,0,0|2,0,0]=4 2191 B10R1.149 [C@@H]1(NCC[C@H]1O)C(=O)OC MCULE-4044407927 [0,1,0,1,0,0|2,0,0]=4 2192 B10R1.149 [C@@H]1(NCC[C@H]1O)C(=O)OC MCULE-7536456993 [0,1,0,1,0,0|2,0,0]=4 2193 B10R1.175 COC(=O)C1CCC1CO MCULE-4671679944 [0,1,0,1,0,0|2,0,0]=4 2194 B10R1.182 COC(=O)C(N)C1COC1 MCULE-4838271134 [0,1,0,1,0,0|2,0,0]=4 2195 B10R1.182 COC(=O)C(N)C1COC1 MCULE-6581486330 [0,1,0,1,0,0|2,0,0]=4 2196 B10R1.182 COC(=O)C(O)C1CCC1 MCULE-3016777020 [0,1,0,1,0,0|2,0,0]=4 2197 B10R1.182 COC(=O)[C@@H](N)C1COC1 MCULE-2357062048 [0,1,0,1,0,0|2,0,0]=4 2198 B10R1.182 COC(=O)[C@@H](N)C1COC1 MCULE-9469302989 [0,1,0,1,0,0|2,0,0]=4 2199 B10R1.182 COC(=O)[C@H](N)C1COC1 MCULE-5371642768 [0,1,0,1,0,0|2,0,0]=4 2200 B10R1.236 OCC1(COC(C1O)O)O MCULE-3740926726 [0,1,0,1,0,0|0,0,2]=4 2201 B10R1.236 OCC1(OCC(C1O)O)O MCULE-4442933068 [0,1,0,1,0,0|0,0,2]=4 2202 B10R1.236 OCC1(OC[C@@H]([C@H]1O)O)O MCULE-9865138473 [0,1,0,1,0,0|0,0,2]=4 2203 B10R1.236 OCC1(OC[C@H]([C@@H]1O)O)O MCULE-7137289323 [0,1,0,1,0,0|0,0,2]=4 2204 B10R1.236 OCC1(OC[C@H]([C@H]1O)O)O MCULE-1992709058 [0,1,0,1,0,0|0,0,2]=4 2205 B10R1.236 OCC1(OC[C@H]([C@H]1O)O)O MCULE-6600191072 [0,1,0,1,0,0|0,0,2]=4 2206 B10R1.236 OC[C@]1(COC([C@@H]1O)O)O MCULE-2488906341 [0,1,0,1,0,0|0,0,2]=4 2207 B10R1.354 CC(N)(C(=O)O)C1COC1 MCULE-6006399645 [0,1,0,1,0,0|2,0,0]=4 2208 B10R1.354 CC(N)(C(=O)O)C1COC1 MCULE-7118895389 [0,1,0,1,0,0|2,0,0]=4 2209 B10R1.354 CC(O)(C(=O)O)C1CCC1 MCULE-4063351378 [0,1,0,1,0,0|2,0,0]=4 2210 B10R1.39 CCC1OCCC1C(=O)O MCULE-3029813377 [0,1,0,1,0,0|2,0,0]=4 2211 B10R1.39 COC1CCCC1C(=O)O MCULE-6165424004 [0,1,0,1,0,0|2,0,0]=4 2212 B10R1.39 NCC1OCCC1C(=O)O MCULE-2668866861 [0,1,0,1,0,0|2,0,0]=4 2213 B10R1.39 NCC1OCCC1C(=O)O MCULE-9067491644 [0,1,0,1,0,0|2,0,0]=4 2214 B10R1.39 O=C(O)C1CNCC1CO MCULE-4689035983 [0,1,0,1,0,0|2,0,0]=4 2215 B10R1.192 CC1COC(=O)C1C(=O)O MCULE-6047208777 [0,1,0,1,0,0|1,0,1]=4 2216 B10R1.219 COC(C(=O)O)C1CCC1 MCULE-4130966763 [0,1,0,1,0,0|2,0,0]=4 2217 B10R1.128 O=C(O)C1OCCC1(F)F MCULE-1033630667 [0,1,0,1,0,0|2,0,0]=4 2218 B10R1.128 O=C(O)[C@@H]1OCCC1(F)F MCULE-3394730004 [0,1,0,1,0,0|2,0,0]=4 2219 B10R1.128 O=C(O)[C@H]1OCCC1(F)F MCULE-2296740232 [0,1,0,1,0,0|2,0,0]=4 2220 B10R2.344 O=C(O)C12COCC1C2 MCULE-4962599130 [0,0,0,2,0,0|2,0,0]=4 2221 B10R2.344 O=C(O)[C@@]12COC[C@@H]1C2 MCULE-5335382694 [0,0,0,2,0,0|2,0,0]=4 2222 B10R2.344 O=C(O)[C@@]12COC[C@@H]1C2 MCULE-6955865926 [0,0,0,2,0,0|2,0,0]=4 2223 B10R2.344 O=C(O)[C@]12COCC1C2 MCULE-6646373866 [0,0,0,2,0,0|2,0,0]=4 2224 B10R2.344 [C@@H]12COC[C@@]1(C2)C(=O)O MCULE-1926490936 [0,0,0,2,0,0|2,0,0]=4 2225 B10R2.344 [C@@H]12COC[C@@]1(C2)C(=O)O MCULE-4045090245 [0,0,0,2,0,0|2,0,0]=4 2226 B10R2.638 O=C(O)C1CC12COC2 MCULE-3616837602 [0,0,0,2,0,0|2,0,0]=4 2227 B8R0.9 CC(=O)NCC(O)CCl MCULE-4912177314 [1,0,0,0,0,1|2,0,0]=4 2228 B8R0.9 CC(=O)NC[C@H](O)CCl MCULE-5027407972 [1,0,0,0,0,1|2,0,0]=4 2229 B8R0.9 CC(=O)OCC(N)CO MCULE-3133254167 [1,0,0,0,0,1|2,0,0]=4 2230 B8R0.9 CC(=O)OCC(N)CO MCULE-4867842020 [1,0,0,0,0,1|2,0,0]=4 2231 B8R0.9 CC(=O)OCC(O)CCl MCULE-3591995437 [1,0,0,0,0,1|2,0,0]=4 2232 B8R0.9 CC(=O)OCC(O)CO MCULE-7518673015 [1,0,0,0,0,1|1,0,0]=3 2233 B8R0.9 CC(=O)OC[C@H](C)CO MCULE-2650760220 [1,0,0,0,0,1|2,0,0]=4 2234 B8R0.9 CC(=O)OC[C@H](C)CO MCULE-7616916740 [1,0,0,0,0,1|2,0,0]=4 2235 B8R0.9 CCC(C)CCC(=O)O MCULE-9270270979 [1,0,0,0,0,1|2,0,0]=4 2236 B8R0.9 CCC(C)NCC(=O)O MCULE-1578825700 [1,0,0,0,0,1|2,0,0]=4 2237 B8R0.9 CCC(C)NCC(=O)O MCULE-8981987872 [1,0,0,0,0,1|2,0,0]=4 2238 B8R0.9 CCC(C)OCC(=O)O MCULE-8235265405 [1,0,0,0,0,1|2,0,0]=4 2239 B8R0.9 CCC(N)CCC(=O)O MCULE-3116763773 [1,0,0,0,0,1|2,0,0]=4 2240 B8R0.9 CCC(N)CCC(=O)O MCULE-9126260921 [1,0,0,0,0,1|2,0,0]=4 2241 B8R0.9 CCC(O)CCC(=O)O MCULE-1512608136 [1,0,0,0,0,1|1,0,0]=3 2242 B8R0.9 CCC(O)CCC(=O)[O-] MCULE-6831827135 [1,0,0,0,0,1|1,0,1]=4 2243 B8R0.9 NCC(N)CCC(=O)O MCULE-1054409990 [1,0,0,0,0,1|2,0,0]=4 2244 B8R0.9 NC[C@@H](N)CCC(=O)O MCULE-2916881042 [1,0,0,0,0,1|2,0,0]=4 2245 B8R0.9 NC[C@@H](N)CCC(=O)O MCULE-7249154843 [1,0,0,0,0,1|2,0,0]=4 2246 B8R0.9 N[C@H](CO)CCC(=O)O MCULE-1233079264 [1,0,0,0,0,1|1,0,0]=3 2247 B8R0.9 N[C@H](CO)CCC(=O)O MCULE-8091475267 [1,0,0,0,0,1|1,0,0]=3 2248 B8R0.9 O=C(O)CCP(=O)CO MCULE-3163541128 [1,0,0,0,0,1|1,0,1]=4 2249 B8R0.9 O=C(O)COC(=O)CO MCULE-4022202206 [1,0,0,0,0,1|0,0,2]=4 2250 B10R0.82 NCC(O)CCC(N)C(=O)O MCULE-6064290143 [0,0,0,0,0,2|2,0,0]=4 2251 B10R0.82 NCC(O)CCC(N)C(=O)O MCULE-6546706417 [0,0,0,0,0,2|2,0,0]=4 2252 B10R0.82 NCC(O)CC[C@H](N)C(=O)O MCULE-4925093695 [0,0,0,0,0,2|2,0,0]=4 2253 B10R0.82 NCC(O)CC[C@H](N)C(=O)O MCULE-7103430731 [0,0,0,0,0,2|2,0,0]=4 2254 B10R0.82 NC[C@H](O)CC[C@H](N)C(=O)O MCULE-1390178110 [0,0,0,0,0,2|2,0,0]=4 2255 B10R0.82 NC[C@H](O)CC[C@H](N)C(=O)O MCULE-7788161688 [0,0,0,0,0,2|2,0,0]=4