0 B7R0.16 C=C(C(=O)O)C(=O)O MCULE-7540749901 [0,0,0,0,0,0|1,0,1]=2 1 B7R0.16 C=C(C)C(C)C(=O)C MCULE-2480790812 [0,0,0,0,0,0|4,0,0]=4 2 B7R0.16 C=C(C)C(N)C(=O)O MCULE-1815568719 [0,0,0,0,0,0|3,0,0]=3 3 B7R0.16 C=C(C)C(N)C(=O)O MCULE-2839869274 [0,0,0,0,0,0|3,0,0]=3 4 B7R0.16 C=C(C)C(N)C(=O)O MCULE-5015326828 [0,0,0,0,0,0|3,0,0]=3 5 B7R0.16 C=C(C)C(N)C(=O)O MCULE-5043630144 [0,0,0,0,0,0|3,0,0]=3 6 B7R0.16 C=C(C)[C@@H](N)C(=C)O MCULE-5278584348 [0,0,0,0,0,0|4,0,0]=4 7 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-2007035571 [0,0,0,0,0,0|3,0,0]=3 8 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-6240689602 [0,0,0,0,0,0|3,0,0]=3 9 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-8025014656 [0,0,0,0,0,0|3,0,0]=3 10 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-9704891439 [0,0,0,0,0,0|3,0,0]=3 11 B7R0.16 CC(=C(Br)C(=O)O)C MCULE-8944482091 [0,0,0,0,0,0|3,0,1]=4 12 B7R0.16 CC(=C(C)C(=O)O)Br MCULE-9431818570 [0,0,0,0,0,0|3,0,1]=4 13 B7R0.16 CC(=C(C)C(=O)O)C MCULE-1062537992 [0,0,0,0,0,0|3,0,1]=4 14 B7R0.16 CC(=C(Cl)C(=O)O)C MCULE-9408683615 [0,0,0,0,0,0|3,0,1]=4 15 B7R0.16 CC(=C(F)C(=O)O)C MCULE-9025515032 [0,0,0,0,0,0|3,0,1]=4 16 B7R0.16 CC(=O)C(Br)C(=O)C MCULE-2980550700 [0,0,0,0,0,0|3,0,0]=3 17 B7R0.16 CC(=O)C(C)C(=O)C MCULE-9607259412 [0,0,0,0,0,0|3,0,0]=3 18 B7R0.16 CC(=O)C(Cl)C(=O)C MCULE-4716617423 [0,0,0,0,0,0|3,0,0]=3 19 B7R0.16 CC(=O)C(F)C(=O)C MCULE-4665621902 [0,0,0,0,0,0|3,0,0]=3 20 B7R0.16 CC(=O)C(N)C(=O)C MCULE-6440496769 [0,0,0,0,0,0|3,0,0]=3 21 B7R0.16 CC(=O)C(N)C(=O)C MCULE-8525737264 [0,0,0,0,0,0|3,0,0]=3 22 B7R0.16 CC(=O)N(C)C(=O)C MCULE-6245493539 [0,0,0,0,0,0|4,0,0]=4 23 B7R0.16 CC(Br)C(Br)C(=O)O MCULE-8605068480 [0,0,0,0,0,0|3,0,1]=4 24 B7R0.16 CC(Br)C(O)C(=O)O MCULE-8231714451 [0,0,0,0,0,0|2,0,1]=3 25 B7R0.16 CC(C(=O)Cl)C(=O)Cl MCULE-5269923120 [0,0,0,0,0,0|3,0,0]=3 26 B7R0.16 CC(C(=O)N)C(=O)N MCULE-4912037399 [0,0,0,0,0,0|3,0,0]=3 27 B7R0.16 CC(C(=O)O)C(=O)O MCULE-7232226851 [0,0,0,0,0,0|1,0,0]=1 28 B7R0.16 CC(C(=O)O)N(C)C MCULE-2658921782 [0,0,0,0,0,0|4,0,0]=4 29 B7R0.16 CC(C(=O)O)N(C)C MCULE-4457336101 [0,0,0,0,0,0|4,0,0]=4 30 B7R0.16 CC(C(=O)O)N(C)N MCULE-1182323460 [0,0,0,0,0,0|4,0,0]=4 31 B7R0.16 CC(C(=O)[O-])C(=O)[O-] MCULE-4632089491 [0,0,0,0,0,0|1,0,2]=3 32 B7R0.16 CC(C(=O)[O-])C(=O)[O-] MCULE-8764180648 [0,0,0,0,0,0|1,0,2]=3 33 B7R0.16 CC(C)C(Br)C(=O)O MCULE-7284929535 [0,0,0,0,0,0|3,0,1]=4 34 B7R0.16 CC(C)C(Br)C(=O)O MCULE-8100016953 [0,0,0,0,0,0|3,0,1]=4 35 B7R0.16 CC(C)C(C)C(=O)O MCULE-4998524686 [0,0,0,0,0,0|3,0,1]=4 36 B7R0.16 CC(C)C(Cl)C(=O)O MCULE-8634615546 [0,0,0,0,0,0|3,0,1]=4 37 B7R0.16 CC(C)C(F)C(=O)O MCULE-5644342535 [0,0,0,0,0,0|3,0,1]=4 38 B7R0.16 CC(C)C(N)C(=O)O MCULE-8140660263 [0,0,0,0,0,0|3,0,1]=4 39 B7R0.16 CC(C)C(N)C(=O)O MCULE-9199801639 [0,0,0,0,0,0|3,0,1]=4 40 B7R0.16 CC(C)C(O)C(=O)O MCULE-6517225229 [0,0,0,0,0,0|2,0,1]=3 41 B7R0.16 CC(C)C(O)C(=O)O MCULE-7748605101 [0,0,0,0,0,0|2,0,1]=3 42 B7R0.16 CC(C)[C@@H](Br)C(=O)O MCULE-2705531785 [0,0,0,0,0,0|3,0,1]=4 43 B7R0.16 CC(C)[C@@H](Br)C(=O)O MCULE-7570119486 [0,0,0,0,0,0|3,0,1]=4 44 B7R0.16 CC(C)[C@@H](N)C(=O)O MCULE-1338052740 [0,0,0,0,0,0|3,0,1]=4 45 B7R0.16 CC(C)[C@@H](N)C(=O)O MCULE-2459930572 [0,0,0,0,0,0|3,0,1]=4 46 B7R0.16 CC(C)[C@@H](O)C(=O)O MCULE-7719048521 [0,0,0,0,0,0|2,0,1]=3 47 B7R0.16 CC(C)[C@@H](O)C(=O)O MCULE-9864796653 [0,0,0,0,0,0|2,0,1]=3 48 B7R0.16 CC(C)[C@H](Br)C(=O)O MCULE-4863317096 [0,0,0,0,0,0|3,0,1]=4 49 B7R0.16 CC(C)[C@H](Br)C(=O)O MCULE-8695526864 [0,0,0,0,0,0|3,0,1]=4 50 B7R0.16 CC(C)[C@H](C)C(=O)O MCULE-4413397700 [0,0,0,0,0,0|3,0,1]=4 51 B7R0.16 CC(C)[C@H](C)C(=O)O MCULE-6269612306 [0,0,0,0,0,0|3,0,1]=4 52 B7R0.16 CC(C)[C@H](Cl)C(=O)O MCULE-8084934210 [0,0,0,0,0,0|3,0,1]=4 53 B7R0.16 CC(C)[C@H](Cl)C(=O)O MCULE-8307595659 [0,0,0,0,0,0|3,0,1]=4 54 B7R0.16 CC(C)[C@H](N)C(=O)O MCULE-2507309072 [0,0,0,0,0,0|3,0,1]=4 55 B7R0.16 CC(C)[C@H](N)C(=O)O MCULE-9143825935 [0,0,0,0,0,0|3,0,1]=4 56 B7R0.16 CC(C)[C@H](O)C(=O)O MCULE-1975771806 [0,0,0,0,0,0|2,0,1]=3 57 B7R0.16 CC(C)[C@H](O)C(=O)O MCULE-4070611738 [0,0,0,0,0,0|2,0,1]=3 58 B7R0.16 CC(F)C(N)C(=O)O MCULE-8810968604 [0,0,0,0,0,0|3,0,1]=4 59 B7R0.16 CC(N)C(C)C(=O)O MCULE-2921617741 [0,0,0,0,0,0|3,0,1]=4 60 B7R0.16 CC(N)C(C)C(=O)O MCULE-8511267926 [0,0,0,0,0,0|3,0,1]=4 61 B7R0.16 CC(N)C(O)C(=O)O MCULE-1086139043 [0,0,0,0,0,0|2,0,1]=3 62 B7R0.16 CC(N)C(O)C(=O)O MCULE-6405300346 [0,0,0,0,0,0|2,0,1]=3 63 B7R0.16 CC(O)C(C)C(=O)O MCULE-2499360516 [0,0,0,0,0,0|2,0,1]=3 64 B7R0.16 CC(O)C(N)C(=O)N MCULE-1234785834 [0,0,0,0,0,0|3,0,1]=4 65 B7R0.16 CC(O)C(N)C(=O)N MCULE-5867306342 [0,0,0,0,0,0|3,0,1]=4 66 B7R0.16 CC(O)C(N)C(=O)O MCULE-1563595722 [0,0,0,0,0,0|2,0,1]=3 67 B7R0.16 CC(O)C(N)C(=O)O MCULE-5581920538 [0,0,0,0,0,0|2,0,1]=3 68 B7R0.16 CN(C(=O)Cl)C(=O)Cl MCULE-8169088410 [0,0,0,0,0,0|4,0,0]=4 69 B7R0.16 C[C@@H](C(=O)O)N(C)C MCULE-1371350024 [0,0,0,0,0,0|4,0,0]=4 70 B7R0.16 C[C@@H](C(=O)O)N(C)C MCULE-2001661938 [0,0,0,0,0,0|4,0,0]=4 71 B7R0.16 C[C@@H](C(=O)O)N(C)C MCULE-6789128261 [0,0,0,0,0,0|4,0,0]=4 72 B7R0.16 C[C@@H](N)[C@@H](N)C(=O)O MCULE-5302456851 [0,0,0,0,0,0|3,0,1]=4 73 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-1663687439 [0,0,0,0,0,0|2,0,1]=3 74 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-3863591433 [0,0,0,0,0,0|2,0,1]=3 75 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-8080019797 [0,0,0,0,0,0|2,0,1]=3 76 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-9284411012 [0,0,0,0,0,0|2,0,1]=3 77 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-1969228933 [0,0,0,0,0,0|3,0,1]=4 78 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-3285041526 [0,0,0,0,0,0|3,0,1]=4 79 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-5018319528 [0,0,0,0,0,0|3,0,1]=4 80 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-6080625355 [0,0,0,0,0,0|3,0,1]=4 81 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-9393787536 [0,0,0,0,0,0|3,0,1]=4 82 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-9925689829 [0,0,0,0,0,0|3,0,1]=4 83 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-2430667007 [0,0,0,0,0,0|2,0,1]=3 84 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-2676185993 [0,0,0,0,0,0|2,0,1]=3 85 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-5254477364 [0,0,0,0,0,0|2,0,1]=3 86 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-5505393195 [0,0,0,0,0,0|2,0,1]=3 87 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-7379719940 [0,0,0,0,0,0|2,0,1]=3 88 B7R0.16 C[C@@H](O)[C@H](O)C(=O)O MCULE-9383777855 [0,0,0,0,0,0|1,0,1]=2 89 B7R0.16 C[C@H](C(=O)O)N(C)C MCULE-2210848569 [0,0,0,0,0,0|4,0,0]=4 90 B7R0.16 C[C@H](C(=O)O)N(C)C MCULE-5148086527 [0,0,0,0,0,0|4,0,0]=4 91 B7R0.16 C[C@H](C(=O)O)[C@@H](C)N MCULE-2245171795 [0,0,0,0,0,0|3,0,1]=4 92 B7R0.16 C[C@H](C(=O)O)[C@@H](C)N MCULE-2727261050 [0,0,0,0,0,0|3,0,1]=4 93 B7R0.16 C[C@H](C(=O)O)[C@@H](C)O MCULE-8875933839 [0,0,0,0,0,0|2,0,1]=3 94 B7R0.16 C[C@H](N)[C@@H](N)C(=O)O MCULE-9507122128 [0,0,0,0,0,0|3,0,1]=4 95 B7R0.16 C[C@H](N)[C@@H](O)C(=O)O MCULE-2574349608 [0,0,0,0,0,0|2,0,1]=3 96 B7R0.16 C[C@H](N)[C@@H](O)C(=O)O MCULE-6297204649 [0,0,0,0,0,0|2,0,1]=3 97 B7R0.16 C[C@H](N)[C@H](N)C(=O)O MCULE-3178389621 [0,0,0,0,0,0|3,0,1]=4 98 B7R0.16 C[C@H](O)C(N)C(=O)O MCULE-6661175670 [0,0,0,0,0,0|2,0,1]=3 99 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-6288272506 [0,0,0,0,0,0|2,0,1]=3 100 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-7203096302 [0,0,0,0,0,0|2,0,1]=3 101 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-9531951265 [0,0,0,0,0,0|2,0,1]=3 102 B7R0.16 C[C@H](O)[C@H](N)C(=O)O MCULE-2246314901 [0,0,0,0,0,0|2,0,1]=3 103 B7R0.16 C[C@H](O)[C@H](N)C(=O)O MCULE-9478987169 [0,0,0,0,0,0|2,0,1]=3 104 B7R0.16 NC(=O)C(Br)C(=O)N MCULE-7519162871 [0,0,0,0,0,0|3,0,0]=3 105 B7R0.16 NC(=O)C(N)C(=O)N MCULE-5338329205 [0,0,0,0,0,0|3,0,0]=3 106 B7R0.16 NC(C(=O)O)C(=O)O MCULE-6118746267 [0,0,0,0,0,0|1,0,0]=1 107 B7R0.16 O=C(O)C(=C(Cl)Cl)Cl MCULE-4004262160 [0,0,0,0,0,0|3,0,1]=4 108 B7R0.16 O=C(O)C(=O)C(=O)O MCULE-9031084199 [0,0,0,0,0,0|0,0,2]=2 109 B7R0.16 O=C(O)C(Cl)C(=O)O MCULE-9776364495 [0,0,0,0,0,0|1,0,0]=1 110 B7R0.16 O=C(O)C(F)C(=O)O MCULE-9969055570 [0,0,0,0,0,0|1,0,0]=1 111 B7R0.16 O=C(O)C(O)C(=O)O MCULE-4232935518 [0,0,0,0,0,0|0,0,0]=0 112 B7R0.16 O=C(O)C(O)C(F)F MCULE-6750020534 [0,0,0,0,0,0|2,0,1]=3 113 B7R0.16 O=C([O-])C(=O)C(=O)[O-] MCULE-3642448111 [0,0,0,0,0,0|0,0,4]=4 114 B7R0.16 O=C([O-])C(=O)C(=O)[O-] MCULE-7835235837 [0,0,0,0,0,0|0,0,4]=4 115 B6R0.2 C=C(C)CC(=O)C MCULE-3534735279 [1,0,0,0,0,0|3,0,0]=4 116 B6R0.2 C=C(C)CC(=O)O MCULE-5404023928 [1,0,0,0,0,0|2,0,0]=3 117 B6R0.2 C=C(I)CC(=O)O MCULE-3849925169 [1,0,0,0,0,0|2,0,0]=3 118 B6R0.2 CC(=CC(=O)O)C MCULE-4772426340 [1,0,0,0,0,0|2,0,1]=4 119 B6R0.2 CC(=CC(=O)O)Cl MCULE-7503760292 [1,0,0,0,0,0|2,0,1]=4 120 B6R0.2 CC(=CC(=O)O)I MCULE-2652373771 [1,0,0,0,0,0|2,0,1]=4 121 B6R0.2 CC(=CC(=O)O)N MCULE-5894724848 [1,0,0,0,0,0|2,0,1]=4 122 B6R0.2 CC(=N)CC(=O)C MCULE-4678643052 [1,0,0,0,0,0|3,0,0]=4 123 B6R0.2 CC(=O)C=C(C)O MCULE-7345258397 [1,0,0,0,0,0|2,0,1]=4 124 B6R0.2 CC(=O)CC(=O)C MCULE-6481204381 [1,0,0,0,0,0|2,0,0]=3 125 B6R0.2 CC(=O)CC(=O)N MCULE-1618058771 [1,0,0,0,0,0|2,0,0]=3 126 B6R0.2 CC(=O)CC(=O)O MCULE-2601276539 [1,0,0,0,0,0|1,0,0]=2 127 B6R0.2 CC(=O)CC(=O)[O-] MCULE-6317885864 [1,0,0,0,0,0|1,0,1]=3 128 B6R0.2 CC(=O)CC(=O)[O-] MCULE-8448177875 [1,0,0,0,0,0|1,0,1]=3 129 B6R0.2 CC(=O)CC(C)O MCULE-5175367575 [1,0,0,0,0,0|2,0,1]=4 130 B6R0.2 CC(=O)CN(=O)=O MCULE-3153232896 [1,0,0,0,0,0|2,0,1]=4 131 B6R0.2 CC(=O)NC(=O)C MCULE-3040534108 [1,0,0,0,0,0|3,0,0]=4 132 B6R0.2 CC(=O)NC(=O)N MCULE-8999775359 [1,0,0,0,0,0|3,0,0]=4 133 B6R0.2 CC(=O)OC(=O)C MCULE-9184217748 [1,0,0,0,0,0|3,0,0]=4 134 B6R0.2 CC(=O)SC(=O)C MCULE-5749449964 [1,0,0,0,0,0|3,0,0]=4 135 B6R0.2 CC(=O)[CH-]C(=O)C MCULE-4855074933 [1,0,0,0,0,0|2,0,1]=4 136 B6R0.2 CC(=O)[CH-]C(=O)C MCULE-6905854247 [1,0,0,0,0,0|2,0,1]=4 137 B6R0.2 CC(Br)CC(=O)O MCULE-3353526571 [1,0,0,0,0,0|2,0,1]=4 138 B6R0.2 CC(C)CC(=O)O MCULE-5805071360 [1,0,0,0,0,0|2,0,1]=4 139 B6R0.2 CC(Cl)CC(=O)O MCULE-1436146199 [1,0,0,0,0,0|2,0,1]=4 140 B6R0.2 CC(F)CC(=O)O MCULE-9214258715 [1,0,0,0,0,0|2,0,1]=4 141 B6R0.2 CC(N)CC(=O)O MCULE-2960589915 [1,0,0,0,0,0|2,0,1]=4 142 B6R0.2 CC(N)CC(=O)O MCULE-5772407106 [1,0,0,0,0,0|2,0,1]=4 143 B6R0.2 CC(N)CC(=O)O MCULE-7818257350 [1,0,0,0,0,0|2,0,1]=4 144 B6R0.2 CC(N)CC(=O)O MCULE-7847644131 [1,0,0,0,0,0|2,0,1]=4 145 B6R0.2 CC(O)CC(=O)N MCULE-7442557911 [1,0,0,0,0,0|2,0,1]=4 146 B6R0.2 CC(O)CC(=O)O MCULE-3566732882 [1,0,0,0,0,0|1,0,1]=3 147 B6R0.2 CC(O)CC(=O)O MCULE-6537877725 [1,0,0,0,0,0|1,0,1]=3 148 B6R0.2 CC(O)CC(=O)[O-] MCULE-1109368801 [1,0,0,0,0,0|1,0,2]=4 149 B6R0.2 CC(O)CC(=O)[O-] MCULE-5681138302 [1,0,0,0,0,0|1,0,2]=4 150 B6R0.2 CN(C)CC(=O)O MCULE-2303978039 [1,0,0,0,0,0|3,0,0]=4 151 B6R0.2 CN(C)CC(=O)O MCULE-3368936600 [1,0,0,0,0,0|3,0,0]=4 152 B6R0.2 C[C@@H](N)CC(=O)O MCULE-2652696372 [1,0,0,0,0,0|2,0,1]=4 153 B6R0.2 C[C@@H](N)CC(=O)O MCULE-7054489636 [1,0,0,0,0,0|2,0,1]=4 154 B6R0.2 C[C@@H](N)CC(=O)O MCULE-7621851215 [1,0,0,0,0,0|2,0,1]=4 155 B6R0.2 C[C@@H](N)CC(=O)O MCULE-8671397640 [1,0,0,0,0,0|2,0,1]=4 156 B6R0.2 C[C@@H](O)CC(=O)O MCULE-2545577683 [1,0,0,0,0,0|1,0,1]=3 157 B6R0.2 C[C@@H](O)CC(=O)O MCULE-4159227891 [1,0,0,0,0,0|1,0,1]=3 158 B6R0.2 C[C@@H](O)CC(=O)[O-] MCULE-7081161048 [1,0,0,0,0,0|1,0,2]=4 159 B6R0.2 C[C@@H](O)CC(=O)[O-] MCULE-7886150665 [1,0,0,0,0,0|1,0,2]=4 160 B6R0.2 C[C@H](Br)CC(=O)O MCULE-1601745040 [1,0,0,0,0,0|2,0,1]=4 161 B6R0.2 C[C@H](Br)CC(=O)O MCULE-2894930407 [1,0,0,0,0,0|2,0,1]=4 162 B6R0.2 C[C@H](N)CC(=O)O MCULE-2656839691 [1,0,0,0,0,0|2,0,1]=4 163 B6R0.2 C[C@H](N)CC(=O)O MCULE-4695512293 [1,0,0,0,0,0|2,0,1]=4 164 B6R0.2 C[C@H](N)CC(=O)O MCULE-5288044169 [1,0,0,0,0,0|2,0,1]=4 165 B6R0.2 C[C@H](N)CC(=O)O MCULE-6641912058 [1,0,0,0,0,0|2,0,1]=4 166 B6R0.2 C[C@H](O)CC(=O)O MCULE-2857686566 [1,0,0,0,0,0|1,0,1]=3 167 B6R0.2 C[C@H](O)CC(=O)O MCULE-3362266278 [1,0,0,0,0,0|1,0,1]=3 168 B6R0.2 C[C@H](O)CC(=O)[O-] MCULE-3624690550 [1,0,0,0,0,0|1,0,2]=4 169 B6R0.2 C[C@H](O)CC(=O)[O-] MCULE-5550257128 [1,0,0,0,0,0|1,0,2]=4 170 B6R0.2 N=C(N)CC(=O)N MCULE-9200673939 [1,0,0,0,0,0|3,0,0]=4 171 B6R0.2 N=C([NH3+])CC(=O)N MCULE-7769639649 [1,0,0,0,0,0|3,0,0]=4 172 B6R0.2 NC(=O)CC(=O)N MCULE-7675159766 [1,0,0,0,0,0|2,0,0]=3 173 B6R0.2 NC(=O)CC(=O)O MCULE-1168254626 [1,0,0,0,0,0|1,0,0]=2 174 B6R0.2 NC(=O)CC(=S)N MCULE-9383188328 [1,0,0,0,0,0|2,1,0]=4 175 B6R0.2 NC(=O)CN(=O)=O MCULE-2051107739 [1,0,0,0,0,0|2,0,1]=4 176 B6R0.2 NC(=O)CN(=O)=O MCULE-6284821429 [1,0,0,0,0,0|2,0,1]=4 177 B6R0.2 NC(=O)NC(=O)N MCULE-4571627886 [1,0,0,0,0,0|3,0,0]=4 178 B6R0.2 NC(F)CC(=O)O MCULE-1563194776 [1,0,0,0,0,0|2,0,1]=4 179 B6R0.2 NC(F)CC(=O)O MCULE-1655564430 [1,0,0,0,0,0|2,0,1]=4 180 B6R0.2 O=C(Cl)CC(=O)Cl MCULE-8779098368 [1,0,0,0,0,0|2,0,0]=3 181 B6R0.2 O=C(O)C=C(Br)Br MCULE-4379078717 [1,0,0,0,0,0|2,0,1]=4 182 B6R0.2 O=C(O)C=C(Cl)Cl MCULE-5096440659 [1,0,0,0,0,0|2,0,1]=4 183 B6R0.2 O=C(O)CB(O)O MCULE-6408403753 [1,0,0,0,0,0|1,0,1]=3 184 B6R0.2 O=C(O)CC(=O)O MCULE-5893043131 [1,0,0,0,0,0|0,0,0]=1 185 B6R0.2 O=C(O)CC(F)F MCULE-9388620099 [1,0,0,0,0,0|2,0,1]=4 186 B6R0.2 O=C(O)CN(=O)=O MCULE-4962751453 [1,0,0,0,0,0|1,0,1]=3 187 B6R0.2 O=C([O-])CC(=O)[O-] MCULE-2327820884 [1,0,0,0,0,0|0,0,2]=3 188 B6R0.2 O=C([O-])CC(=O)[O-] MCULE-6849635529 [1,0,0,0,0,0|0,0,2]=3 189 B6R0.2 O=C([O-])CN(=O)=O MCULE-4674762686 [1,0,0,0,0,0|1,0,2]=4 190 B6R0.3 C#CC(O)C(=O)O MCULE-4214673632 [1,0,0,0,0,0|1,0,1]=3 191 B6R0.3 C(C)(OC)C(=O)O MCULE-4852209230 [1,0,0,0,0,0|3,0,0]=4 192 B6R0.3 C(N)(CO)C(=O)N MCULE-5512645571 [1,0,0,0,0,0|2,0,1]=4 193 B6R0.3 C(N)(CO)C(=O)N MCULE-5852943337 [1,0,0,0,0,0|2,0,1]=4 194 B6R0.3 C/C=C(/C)\C(=O)O MCULE-2116066534 [1,0,0,0,0,0|2,0,1]=4 195 B6R0.3 C/C=C(\Br)/C(=O)O MCULE-5940308548 [1,0,0,0,0,0|2,0,1]=4 196 B6R0.3 C/C=C(\C)/C(=O)O MCULE-4890719796 [1,0,0,0,0,0|2,0,1]=4 197 B6R0.3 C/C=C(\O)/C(=O)O MCULE-9596699660 [1,0,0,0,0,0|1,0,1]=3 198 B6R0.3 C=C(CO)C(=O)O MCULE-9731648602 [1,0,0,0,0,0|1,0,2]=4 199 B6R0.3 C=CC(=O)C(=O)O MCULE-9816982424 [1,0,0,0,0,0|1,0,2]=4 200 B6R0.3 C=CC(C)C(=O)O MCULE-7280145889 [1,0,0,0,0,0|2,0,0]=3 201 B6R0.3 C=CC(N)C(=O)O MCULE-2000511750 [1,0,0,0,0,0|2,0,0]=3 202 B6R0.3 C=CC(N)C(=O)O MCULE-7504415267 [1,0,0,0,0,0|2,0,0]=3 203 B6R0.3 C=CC(N)C(=O)O MCULE-9012490000 [1,0,0,0,0,0|2,0,0]=3 204 B6R0.3 C=CC(N)C(=O)O MCULE-9978294266 [1,0,0,0,0,0|2,0,0]=3 205 B6R0.3 C=CC(O)C(=O)O MCULE-3847595710 [1,0,0,0,0,0|1,0,0]=2 206 B6R0.3 C=C[C@@H](C)C(=O)O MCULE-9719548038 [1,0,0,0,0,0|2,0,0]=3 207 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-3678761806 [1,0,0,0,0,0|2,0,0]=3 208 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-6682447306 [1,0,0,0,0,0|2,0,0]=3 209 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-6779191781 [1,0,0,0,0,0|2,0,0]=3 210 B6R0.3 C=C[C@H](C)C(=O)O MCULE-1694697840 [1,0,0,0,0,0|2,0,0]=3 211 B6R0.3 C=C[C@H](C)C(=O)O MCULE-2601438258 [1,0,0,0,0,0|2,0,0]=3 212 B6R0.3 C=C[C@H](C)C(=O)O MCULE-6098133430 [1,0,0,0,0,0|2,0,0]=3 213 B6R0.3 C=C[C@H](N)C(=O)O MCULE-2657488498 [1,0,0,0,0,0|2,0,0]=3 214 B6R0.3 C=C[C@H](N)C(=O)O MCULE-5103456570 [1,0,0,0,0,0|2,0,0]=3 215 B6R0.3 C=C[C@H](N)C(=O)O MCULE-5936124947 [1,0,0,0,0,0|2,0,0]=3 216 B6R0.3 C=C[C@H](N)C(=O)O MCULE-9631686254 [1,0,0,0,0,0|2,0,0]=3 217 B6R0.3 CC(=CBr)C(=O)O MCULE-3682516046 [1,0,0,0,0,0|2,0,1]=4 218 B6R0.3 CC(=NO)C(=O)O MCULE-8264934008 [1,0,0,0,0,0|2,0,1]=4 219 B6R0.3 CC(=O)C(Br)C=O MCULE-6904531970 [1,0,0,0,0,0|2,0,0]=3 220 B6R0.3 CC(=O)C(C)C=O MCULE-7133682970 [1,0,0,0,0,0|2,0,0]=3 221 B6R0.3 CC(=O)C(C)CO MCULE-9026658672 [1,0,0,0,0,0|2,0,1]=4 222 B6R0.3 CC(=O)C(N)CO MCULE-4063057020 [1,0,0,0,0,0|2,0,1]=4 223 B6R0.3 CC(=O)[C@@H](N)CO MCULE-9046372356 [1,0,0,0,0,0|2,0,1]=4 224 B6R0.3 CC(C#N)C(=O)O MCULE-3302580561 [1,0,0,0,0,0|2,0,1]=4 225 B6R0.3 CC(CBr)C(=O)O MCULE-1430003780 [1,0,0,0,0,0|2,0,1]=4 226 B6R0.3 CC(CF)C(=O)O MCULE-7390028409 [1,0,0,0,0,0|2,0,1]=4 227 B6R0.3 CC(CN)C(=O)O MCULE-5485986433 [1,0,0,0,0,0|2,0,1]=4 228 B6R0.3 CC(CN)C(=O)O MCULE-5638884438 [1,0,0,0,0,0|2,0,1]=4 229 B6R0.3 CC(CO)C(=O)O MCULE-2772009804 [1,0,0,0,0,0|1,0,1]=3 230 B6R0.3 CC(CO)C(=O)[O-] MCULE-6956620176 [1,0,0,0,0,0|1,0,2]=4 231 B6R0.3 CC(CS)C(=O)O MCULE-9982386135 [1,0,0,0,0,0|1,1,1]=4 232 B6R0.3 CC(O)C(O)CO MCULE-1795053551 [1,0,0,0,0,0|1,0,2]=4 233 B6R0.3 CC(ON)C(=O)O MCULE-1969235976 [1,0,0,0,0,0|3,0,0]=4 234 B6R0.3 CC(ON)C(=O)O MCULE-4318537884 [1,0,0,0,0,0|3,0,0]=4 235 B6R0.3 CC(ON)C(=O)O MCULE-4455753863 [1,0,0,0,0,0|3,0,0]=4 236 B6R0.3 CC(ON)C(=O)O MCULE-8893009712 [1,0,0,0,0,0|3,0,0]=4 237 B6R0.3 CC=C(Br)C(=O)O MCULE-5368794596 [1,0,0,0,0,0|2,0,1]=4 238 B6R0.3 CC=C(C)C(=O)O MCULE-2390677360 [1,0,0,0,0,0|2,0,1]=4 239 B6R0.3 CC=C(Cl)C(=O)O MCULE-5827690088 [1,0,0,0,0,0|2,0,1]=4 240 B6R0.3 CC=C(F)C(=O)O MCULE-5053310707 [1,0,0,0,0,0|2,0,1]=4 241 B6R0.3 CC=C(O)C(=O)O MCULE-7886990963 [1,0,0,0,0,0|1,0,1]=3 242 B6R0.3 CCC(Br)C(=O)O MCULE-4214463814 [1,0,0,0,0,0|2,0,1]=4 243 B6R0.3 CCC(C)C(=O)O MCULE-5615925204 [1,0,0,0,0,0|2,0,1]=4 244 B6R0.3 CCC(C)C(=O)O MCULE-7434436828 [1,0,0,0,0,0|2,0,1]=4 245 B6R0.3 CCC(Cl)C(=O)O MCULE-6325944516 [1,0,0,0,0,0|2,0,1]=4 246 B6R0.3 CCC(F)C(=O)O MCULE-3947852767 [1,0,0,0,0,0|2,0,1]=4 247 B6R0.3 CCC(N)C(=O)O MCULE-2132009026 [1,0,0,0,0,0|2,0,1]=4 248 B6R0.3 CCC(N)C(=O)O MCULE-7397078475 [1,0,0,0,0,0|2,0,1]=4 249 B6R0.3 CCC(N)C(=O)O MCULE-8052711911 [1,0,0,0,0,0|2,0,1]=4 250 B6R0.3 CCC(N)C(=O)O MCULE-9815187967 [1,0,0,0,0,0|2,0,1]=4 251 B6R0.3 CCC(O)C(=O)N MCULE-4290959224 [1,0,0,0,0,0|2,0,1]=4 252 B6R0.3 CCC(O)C(=O)O MCULE-1958918710 [1,0,0,0,0,0|1,0,1]=3 253 B6R0.3 CCC(O)C(=O)O MCULE-2006594131 [1,0,0,0,0,0|1,0,1]=3 254 B6R0.3 CCC(O)C(=O)[O-] MCULE-5297669254 [1,0,0,0,0,0|1,0,2]=4 255 B6R0.3 CCC(O)C(=O)[O-] MCULE-5740032698 [1,0,0,0,0,0|1,0,2]=4 256 B6R0.3 CCC(S)C(=O)O MCULE-9887370695 [1,0,0,0,0,0|1,1,1]=4 257 B6R0.3 CC[C@@H](Br)C(=O)O MCULE-3890418201 [1,0,0,0,0,0|2,0,1]=4 258 B6R0.3 CC[C@@H](Br)C(=O)O MCULE-5910145154 [1,0,0,0,0,0|2,0,1]=4 259 B6R0.3 CC[C@@H](C)C(=O)O MCULE-4225604875 [1,0,0,0,0,0|2,0,1]=4 260 B6R0.3 CC[C@@H](C)C(=O)O MCULE-6581991788 [1,0,0,0,0,0|2,0,1]=4 261 B6R0.3 CC[C@@H](Cl)C(=O)O MCULE-2496023102 [1,0,0,0,0,0|2,0,1]=4 262 B6R0.3 CC[C@@H](Cl)C(=O)O MCULE-9719915588 [1,0,0,0,0,0|2,0,1]=4 263 B6R0.3 CC[C@@H](N)C(=O)O MCULE-3824768448 [1,0,0,0,0,0|2,0,1]=4 264 B6R0.3 CC[C@@H](N)C(=O)O MCULE-7078248621 [1,0,0,0,0,0|2,0,1]=4 265 B6R0.3 CC[C@@H](N)C(=O)O MCULE-8856363896 [1,0,0,0,0,0|2,0,1]=4 266 B6R0.3 CC[C@@H](N)C(=O)O MCULE-9662763952 [1,0,0,0,0,0|2,0,1]=4 267 B6R0.3 CC[C@@H](O)C(=O)O MCULE-8118182602 [1,0,0,0,0,0|1,0,1]=3 268 B6R0.3 CC[C@@H](O)C(=O)O MCULE-9744322272 [1,0,0,0,0,0|1,0,1]=3 269 B6R0.3 CC[C@H](Br)C(=O)O MCULE-2859668715 [1,0,0,0,0,0|2,0,1]=4 270 B6R0.3 CC[C@H](Br)C(=O)O MCULE-9989821197 [1,0,0,0,0,0|2,0,1]=4 271 B6R0.3 CC[C@H](C)C(=O)O MCULE-5170193492 [1,0,0,0,0,0|2,0,1]=4 272 B6R0.3 CC[C@H](C)C(=O)O MCULE-6595467867 [1,0,0,0,0,0|2,0,1]=4 273 B6R0.3 CC[C@H](Cl)C(=O)O MCULE-8870390851 [1,0,0,0,0,0|2,0,1]=4 274 B6R0.3 CC[C@H](N)C(=O)O MCULE-3597025691 [1,0,0,0,0,0|2,0,1]=4 275 B6R0.3 CC[C@H](N)C(=O)O MCULE-5445914617 [1,0,0,0,0,0|2,0,1]=4 276 B6R0.3 CC[C@H](N)C(=O)O MCULE-7781302707 [1,0,0,0,0,0|2,0,1]=4 277 B6R0.3 CC[C@H](N)C(=O)O MCULE-8446392822 [1,0,0,0,0,0|2,0,1]=4 278 B6R0.3 CC[C@H](O)C(=O)O MCULE-4284991317 [1,0,0,0,0,0|1,0,1]=3 279 B6R0.3 CC[C@H](O)C(=O)O MCULE-6782147427 [1,0,0,0,0,0|1,0,1]=3 280 B6R0.3 CC[C@H](O)C(=O)[O-] MCULE-6073275709 [1,0,0,0,0,0|1,0,2]=4 281 B6R0.3 CNC(C)C(=O)O MCULE-4088114502 [1,0,0,0,0,0|3,0,0]=4 282 B6R0.3 CNC(C)C(=O)O MCULE-7300169560 [1,0,0,0,0,0|3,0,0]=4 283 B6R0.3 CNC(C)C(=O)O MCULE-8623956615 [1,0,0,0,0,0|3,0,0]=4 284 B6R0.3 CN[C@@H](C)C(=O)O MCULE-2079366664 [1,0,0,0,0,0|3,0,0]=4 285 B6R0.3 CN[C@@H](C)C(=O)O MCULE-4072364377 [1,0,0,0,0,0|3,0,0]=4 286 B6R0.3 CN[C@@H](C)C(=O)O MCULE-4518259073 [1,0,0,0,0,0|3,0,0]=4 287 B6R0.3 CN[C@@H](C)C(=O)O MCULE-8200069325 [1,0,0,0,0,0|3,0,0]=4 288 B6R0.3 CN[C@H](C)C(=O)O MCULE-2777429698 [1,0,0,0,0,0|3,0,0]=4 289 B6R0.3 CN[C@H](C)C(=O)O MCULE-7282734154 [1,0,0,0,0,0|3,0,0]=4 290 B6R0.3 CN[C@H](C)C(=O)O MCULE-9709122579 [1,0,0,0,0,0|3,0,0]=4 291 B6R0.3 COC(Br)C(=O)O MCULE-9018983840 [1,0,0,0,0,0|3,0,0]=4 292 B6R0.3 COC(C)C(=O)O MCULE-8913745653 [1,0,0,0,0,0|3,0,0]=4 293 B6R0.3 CO[C@@H](C)C(=O)O MCULE-7456458246 [1,0,0,0,0,0|3,0,0]=4 294 B6R0.3 CO[C@@H](C)C(=O)O MCULE-8108977564 [1,0,0,0,0,0|3,0,0]=4 295 B6R0.3 CO[C@H](C)C(=O)O MCULE-3078851913 [1,0,0,0,0,0|3,0,0]=4 296 B6R0.3 CO[C@H](C)C(=O)O MCULE-5370950850 [1,0,0,0,0,0|3,0,0]=4 297 B6R0.3 CSC(C)C(=O)O MCULE-8062487948 [1,0,0,0,0,0|3,0,0]=4 298 B6R0.3 C[C@@H](CN)C(=O)O MCULE-4438181090 [1,0,0,0,0,0|2,0,1]=4 299 B6R0.3 C[C@@H](CN)C(=O)O MCULE-4599481344 [1,0,0,0,0,0|2,0,1]=4 300 B6R0.3 C[C@@H](CN)C(=O)O MCULE-5826933618 [1,0,0,0,0,0|2,0,1]=4 301 B6R0.3 C[C@@H](CN)C(=O)O MCULE-5914856504 [1,0,0,0,0,0|2,0,1]=4 302 B6R0.3 C[C@@H](CO)C(=O)O MCULE-1381224499 [1,0,0,0,0,0|1,0,1]=3 303 B6R0.3 C[C@@H](CO)C(=O)O MCULE-4599417419 [1,0,0,0,0,0|1,0,1]=3 304 B6R0.3 C[C@@H](ON)C(=O)O MCULE-1538722507 [1,0,0,0,0,0|3,0,0]=4 305 B6R0.3 C[C@@H](ON)C(=O)O MCULE-3835402446 [1,0,0,0,0,0|3,0,0]=4 306 B6R0.3 C[C@H](CN)C(=O)O MCULE-3703540023 [1,0,0,0,0,0|2,0,1]=4 307 B6R0.3 C[C@H](CN)C(=O)O MCULE-5714771083 [1,0,0,0,0,0|2,0,1]=4 308 B6R0.3 C[C@H](CN)C(=O)O MCULE-9009901306 [1,0,0,0,0,0|2,0,1]=4 309 B6R0.3 C[C@H](CN)C(=O)O MCULE-9217365463 [1,0,0,0,0,0|2,0,1]=4 310 B6R0.3 C[C@H](CO)C(=O)O MCULE-7012562122 [1,0,0,0,0,0|1,0,1]=3 311 B6R0.3 C[C@H](CO)C(=O)O MCULE-9702865885 [1,0,0,0,0,0|1,0,1]=3 312 B6R0.3 C[C@H](CO)C(=O)[O-] MCULE-5733737039 [1,0,0,0,0,0|1,0,2]=4 313 B6R0.3 C[C@H](ON)C(=O)O MCULE-3327889540 [1,0,0,0,0,0|3,0,0]=4 314 B6R0.3 C[C@H](ON)C(=O)O MCULE-4523264650 [1,0,0,0,0,0|3,0,0]=4 315 B6R0.3 NC(=O)C(N)CO MCULE-4842751232 [1,0,0,0,0,0|2,0,1]=4 316 B6R0.3 NC(=O)C(N)CO MCULE-6854366147 [1,0,0,0,0,0|2,0,1]=4 317 B6R0.3 NC(=O)[C@@H](N)CO MCULE-2185844038 [1,0,0,0,0,0|2,0,1]=4 318 B6R0.3 NC(=O)[C@@H](N)CO MCULE-3623516041 [1,0,0,0,0,0|2,0,1]=4 319 B6R0.3 NC(=O)[C@@H](N)CO MCULE-6218638108 [1,0,0,0,0,0|2,0,1]=4 320 B6R0.3 NC(=O)[C@H](N)CO MCULE-2061645482 [1,0,0,0,0,0|2,0,1]=4 321 B6R0.3 NC(=O)[C@H](N)CO MCULE-5920366137 [1,0,0,0,0,0|2,0,1]=4 322 B6R0.3 NC(=O)[C@H](N)CO MCULE-7612340519 [1,0,0,0,0,0|2,0,1]=4 323 B6R0.3 NC(=O)[C@H](N)CO MCULE-7734326153 [1,0,0,0,0,0|2,0,1]=4 324 B6R0.3 NC(CCl)C(=O)O MCULE-1601405489 [1,0,0,0,0,0|2,0,1]=4 325 B6R0.3 NC(CCl)C(=O)O MCULE-3020306643 [1,0,0,0,0,0|2,0,1]=4 326 B6R0.3 NC(CCl)C(=O)O MCULE-5440349631 [1,0,0,0,0,0|2,0,1]=4 327 B6R0.3 NC(CF)C(=O)O MCULE-3274339636 [1,0,0,0,0,0|2,0,1]=4 328 B6R0.3 NC(CO)C(=O)O MCULE-2425237422 [1,0,0,0,0,0|1,0,1]=3 329 B6R0.3 NC(CO)C(=O)O MCULE-6460387318 [1,0,0,0,0,0|1,0,1]=3 330 B6R0.3 NC(CS)C(=O)O MCULE-1666411258 [1,0,0,0,0,0|1,1,1]=4 331 B6R0.3 NC(CS)C(=O)O MCULE-2938329352 [1,0,0,0,0,0|1,1,1]=4 332 B6R0.3 NC(CS)C(=O)O MCULE-7203902929 [1,0,0,0,0,0|1,1,1]=4 333 B6R0.3 NC(CS)C(=O)O MCULE-7790846545 [1,0,0,0,0,0|1,1,1]=4 334 B6R0.3 NCC(Br)C(=O)O MCULE-2289205408 [1,0,0,0,0,0|2,0,1]=4 335 B6R0.3 NCC(Br)C(=O)O MCULE-9361399143 [1,0,0,0,0,0|2,0,1]=4 336 B6R0.3 NCC(F)C(=O)O MCULE-5666887061 [1,0,0,0,0,0|2,0,1]=4 337 B6R0.3 NCC(F)C(=O)O MCULE-6134707533 [1,0,0,0,0,0|2,0,1]=4 338 B6R0.3 NCC(N)C(=O)O MCULE-1867799207 [1,0,0,0,0,0|2,0,1]=4 339 B6R0.3 NCC(N)C(=O)O MCULE-4853376364 [1,0,0,0,0,0|2,0,1]=4 340 B6R0.3 NCC(N)C(=O)O MCULE-7636331821 [1,0,0,0,0,0|2,0,1]=4 341 B6R0.3 NCC(N)C(=O)O MCULE-7735444546 [1,0,0,0,0,0|2,0,1]=4 342 B6R0.3 NCC(N)C(=O)O MCULE-9197553017 [1,0,0,0,0,0|2,0,1]=4 343 B6R0.3 NCC(O)C(=O)N MCULE-1543465850 [1,0,0,0,0,0|2,0,1]=4 344 B6R0.3 NCC(O)C(=O)N MCULE-9574499203 [1,0,0,0,0,0|2,0,1]=4 345 B6R0.3 NCC(O)C(=O)O MCULE-2137675488 [1,0,0,0,0,0|1,0,1]=3 346 B6R0.3 NCC(O)C(=O)O MCULE-3348306437 [1,0,0,0,0,0|1,0,1]=3 347 B6R0.3 NC[C@@H](F)C(=O)O MCULE-3544959183 [1,0,0,0,0,0|2,0,1]=4 348 B6R0.3 NC[C@@H](F)C(=O)O MCULE-4122418685 [1,0,0,0,0,0|2,0,1]=4 349 B6R0.3 NC[C@@H](F)C(=O)O MCULE-8592364466 [1,0,0,0,0,0|2,0,1]=4 350 B6R0.3 NC[C@@H](F)C(=O)O MCULE-9106826144 [1,0,0,0,0,0|2,0,1]=4 351 B6R0.3 NC[C@@H](N)C(=O)O MCULE-5363126654 [1,0,0,0,0,0|2,0,1]=4 352 B6R0.3 NC[C@@H](N)C(=O)O MCULE-8998345978 [1,0,0,0,0,0|2,0,1]=4 353 B6R0.3 NC[C@@H](N)C(=O)O MCULE-9125384126 [1,0,0,0,0,0|2,0,1]=4 354 B6R0.3 NC[C@@H](O)C(=O)O MCULE-5922773276 [1,0,0,0,0,0|1,0,1]=3 355 B6R0.3 NC[C@@H](O)C(=O)O MCULE-8921832932 [1,0,0,0,0,0|1,0,1]=3 356 B6R0.3 NC[C@H](F)C(=O)O MCULE-2695037152 [1,0,0,0,0,0|2,0,1]=4 357 B6R0.3 NC[C@H](F)C(=O)O MCULE-4323150722 [1,0,0,0,0,0|2,0,1]=4 358 B6R0.3 NC[C@H](F)C(=O)O MCULE-6701791437 [1,0,0,0,0,0|2,0,1]=4 359 B6R0.3 NC[C@H](F)C(=O)O MCULE-7674783008 [1,0,0,0,0,0|2,0,1]=4 360 B6R0.3 NC[C@H](N)C(=O)O MCULE-1389567062 [1,0,0,0,0,0|2,0,1]=4 361 B6R0.3 NC[C@H](N)C(=O)O MCULE-1833064192 [1,0,0,0,0,0|2,0,1]=4 362 B6R0.3 NC[C@H](N)C(=O)O MCULE-2347369254 [1,0,0,0,0,0|2,0,1]=4 363 B6R0.3 NC[C@H](N)C(=O)O MCULE-2781423323 [1,0,0,0,0,0|2,0,1]=4 364 B6R0.3 NC[C@H](N)C(=O)O MCULE-6498458695 [1,0,0,0,0,0|2,0,1]=4 365 B6R0.3 NC[C@H](N)C(=O)O MCULE-8313668715 [1,0,0,0,0,0|2,0,1]=4 366 B6R0.3 NC[C@H](O)C(=O)O MCULE-5854124012 [1,0,0,0,0,0|1,0,1]=3 367 B6R0.3 NC[C@H](O)C(=O)O MCULE-7536593166 [1,0,0,0,0,0|1,0,1]=3 368 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-2896868744 [1,0,0,0,0,0|2,0,1]=4 369 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-5799339909 [1,0,0,0,0,0|2,0,1]=4 370 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-7445121230 [1,0,0,0,0,0|2,0,1]=4 371 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-9137000163 [1,0,0,0,0,0|2,0,1]=4 372 B6R0.3 N[C@@H](CO)C(=O)O MCULE-4580794842 [1,0,0,0,0,0|1,0,1]=3 373 B6R0.3 N[C@@H](CO)C(=O)O MCULE-5604658333 [1,0,0,0,0,0|1,0,1]=3 374 B6R0.3 N[C@@H](CO)C(=O)O MCULE-5884286841 [1,0,0,0,0,0|1,0,1]=3 375 B6R0.3 N[C@@H](CO)C(=O)O MCULE-6118038121 [1,0,0,0,0,0|1,0,1]=3 376 B6R0.3 N[C@@H](CS)C(=O)O MCULE-1896679526 [1,0,0,0,0,0|1,1,1]=4 377 B6R0.3 N[C@@H](CS)C(=O)O MCULE-2206038012 [1,0,0,0,0,0|1,1,1]=4 378 B6R0.3 N[C@@H](CS)C(=O)O MCULE-6337217524 [1,0,0,0,0,0|1,1,1]=4 379 B6R0.3 N[C@@H](CS)C(=O)O MCULE-9685479191 [1,0,0,0,0,0|1,1,1]=4 380 B6R0.3 N[C@H](CCl)C(=O)O MCULE-2647266636 [1,0,0,0,0,0|2,0,1]=4 381 B6R0.3 N[C@H](CCl)C(=O)O MCULE-7797369596 [1,0,0,0,0,0|2,0,1]=4 382 B6R0.3 N[C@H](CCl)C(=O)O MCULE-8133148482 [1,0,0,0,0,0|2,0,1]=4 383 B6R0.3 N[C@H](CCl)C(=O)O MCULE-9324545858 [1,0,0,0,0,0|2,0,1]=4 384 B6R0.3 N[C@H](CF)C(=O)O MCULE-4766495272 [1,0,0,0,0,0|2,0,1]=4 385 B6R0.3 N[C@H](CF)C(=O)O MCULE-7679315401 [1,0,0,0,0,0|2,0,1]=4 386 B6R0.3 N[C@H](CO)C(=O)O MCULE-3271603208 [1,0,0,0,0,0|1,0,1]=3 387 B6R0.3 N[C@H](CO)C(=O)O MCULE-8560981570 [1,0,0,0,0,0|1,0,1]=3 388 B6R0.3 N[C@H](CS)C(=O)O MCULE-2137827959 [1,0,0,0,0,0|1,1,1]=4 389 B6R0.3 N[C@H](CS)C(=O)O MCULE-4521387126 [1,0,0,0,0,0|1,1,1]=4 390 B6R0.3 N[C@H](CS)C(=O)O MCULE-7201506202 [1,0,0,0,0,0|1,1,1]=4 391 B6R0.3 N[C@H](CS)C(=O)O MCULE-9147562606 [1,0,0,0,0,0|1,1,1]=4 392 B6R0.3 O=C(O)/C(=C/Cl)/Cl MCULE-4317518344 [1,0,0,0,0,0|2,0,1]=4 393 B6R0.3 O=C(O)C(=CCl)Cl MCULE-2693859334 [1,0,0,0,0,0|2,0,1]=4 394 B6R0.3 O=C(O)C(=O)CO MCULE-2263002631 [1,0,0,0,0,0|0,0,3]=4 395 B6R0.3 O=C(O)C(Br)CBr MCULE-9991448725 [1,0,0,0,0,0|2,0,1]=4 396 B6R0.3 O=C(O)C(Br)CF MCULE-6577995297 [1,0,0,0,0,0|2,0,1]=4 397 B6R0.3 O=C(O)C(Br)CO MCULE-9060407295 [1,0,0,0,0,0|1,0,1]=3 398 B6R0.3 O=C(O)C(Cl)CCl MCULE-4757238565 [1,0,0,0,0,0|2,0,1]=4 399 B6R0.3 O=C(O)C(Cl)CO MCULE-3671026398 [1,0,0,0,0,0|1,0,1]=3 400 B6R0.3 O=C(O)C(F)CF MCULE-4323199927 [1,0,0,0,0,0|2,0,1]=4 401 B6R0.3 O=C(O)C(O)CBr MCULE-2600199692 [1,0,0,0,0,0|1,0,1]=3 402 B6R0.3 O=C(O)C(O)CCl MCULE-6346810624 [1,0,0,0,0,0|1,0,1]=3 403 B6R0.3 O=C(O)C(O)CO MCULE-3634533503 [1,0,0,0,0,0|0,0,1]=2 404 B6R0.3 O=C(O)[C@@H](Br)CO MCULE-4486884639 [1,0,0,0,0,0|1,0,1]=3 405 B6R0.3 O=C(O)[C@@H](Br)CO MCULE-8586594526 [1,0,0,0,0,0|1,0,1]=3 406 B6R0.3 O=C(O)[C@@H](O)CCl MCULE-4927034524 [1,0,0,0,0,0|1,0,1]=3 407 B6R0.3 O=C(O)[C@@H](O)CO MCULE-4917119993 [1,0,0,0,0,0|0,0,1]=2 408 B6R0.3 O=C(O)[C@@H](O)CO MCULE-7996851129 [1,0,0,0,0,0|0,0,1]=2 409 B6R0.3 O=C(O)[C@H](Br)CO MCULE-3770944978 [1,0,0,0,0,0|1,0,1]=3 410 B6R0.3 O=C(O)[C@H](Br)CO MCULE-6926119866 [1,0,0,0,0,0|1,0,1]=3 411 B6R0.3 O=C(O)[C@H](O)CF MCULE-4453713074 [1,0,0,0,0,0|1,0,1]=3 412 B6R0.3 O=C([O-])[C@@H](O)CO MCULE-4498291090 [1,0,0,0,0,0|0,0,2]=3 413 B6R0.3 [C@@H](N)(C=C)C(=O)O MCULE-9406839633 [1,0,0,0,0,0|2,0,0]=3 414 B6R0.3 [C@@H](N)(CN)C(=O)O MCULE-2844054083 [1,0,0,0,0,0|2,0,1]=4 415 B6R0.3 [C@H](C)(NC)C(=O)O MCULE-3677465746 [1,0,0,0,0,0|3,0,0]=4 416 B6R0.3 [C@H](N)(CO)C(=O)N MCULE-2792784400 [1,0,0,0,0,0|2,0,1]=4 417 B6R0.3 [C@H](S)(CC)C(=O)O MCULE-4267293279 [1,0,0,0,0,0|1,1,1]=4 418 B6R0.3 [SeH]C[C@H](N)C(=O)O MCULE-8205075370 [1,0,0,0,0,0|1,1,1]=4 419 B8R0.2 C=C(C)C(Cl)C(=O)OC MCULE-1665283862 [0,1,0,0,0,0|3,0,0]=4 420 B8R0.2 C=C(N)C(N)C(=O)OC MCULE-5118385991 [0,1,0,0,0,0|3,0,0]=4 421 B8R0.2 C=C(N)C(N)C(=O)OC MCULE-7419562140 [0,1,0,0,0,0|3,0,0]=4 422 B8R0.2 C=C(N)C(N)C(=O)OC MCULE-8416732356 [0,1,0,0,0,0|3,0,0]=4 423 B8R0.2 CC(=O)C(O)C(O)CO MCULE-1853649042 [0,1,0,0,0,0|1,0,2]=4 424 B8R0.2 CC(=O)[C@@H](O)[C@H](O)CO MCULE-9565941206 [0,1,0,0,0,0|1,0,2]=4 425 B8R0.2 CC(O)C(O)C(O)C=O MCULE-2576273900 [0,1,0,0,0,0|1,0,2]=4 426 B8R0.2 CCC(=O)C(C)C(=O)O MCULE-9192813670 [0,1,0,0,0,0|2,0,0]=3 427 B8R0.2 CCC(C)C(O)C(=O)O MCULE-4300622531 [0,1,0,0,0,0|2,0,1]=4 428 B8R0.2 CCC(O)C(C)C(=O)O MCULE-7278088016 [0,1,0,0,0,0|2,0,1]=4 429 B8R0.2 CCC(O)C(N)C(=O)O MCULE-5277569808 [0,1,0,0,0,0|2,0,1]=4 430 B8R0.2 CCC(O)[C@H](N)C(=O)O MCULE-7480930876 [0,1,0,0,0,0|2,0,1]=4 431 B8R0.2 CC[C@@H](O)[C@H](N)C(=O)O MCULE-1048734191 [0,1,0,0,0,0|2,0,1]=4 432 B8R0.2 CC[C@@H](O)[C@H](N)C(=O)O MCULE-1935827385 [0,1,0,0,0,0|2,0,1]=4 433 B8R0.2 CC[C@@H](O)[C@H](N)C(=O)O MCULE-8753855708 [0,1,0,0,0,0|2,0,1]=4 434 B8R0.2 CC[C@@H](O)[C@H](N)C(=O)O MCULE-9854510560 [0,1,0,0,0,0|2,0,1]=4 435 B8R0.2 CC[C@H](C)[C@@H](O)C(=O)O MCULE-6017510763 [0,1,0,0,0,0|2,0,1]=4 436 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O MCULE-2804875804 [0,1,0,0,0,0|2,0,1]=4 437 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O MCULE-4272353967 [0,1,0,0,0,0|2,0,1]=4 438 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O MCULE-6087026464 [0,1,0,0,0,0|2,0,1]=4 439 B8R0.2 CC[C@H](O)[C@@H](N)C(=O)O MCULE-2118005753 [0,1,0,0,0,0|2,0,1]=4 440 B8R0.2 CC[C@H](O)[C@@H](N)C(=O)O MCULE-2420221886 [0,1,0,0,0,0|2,0,1]=4 441 B8R0.2 CC[C@H](O)[C@@H](N)C(=O)O MCULE-7168739287 [0,1,0,0,0,0|2,0,1]=4 442 B8R0.2 CC[C@H](O)[C@@H](N)C(=O)O MCULE-7351381830 [0,1,0,0,0,0|2,0,1]=4 443 B8R0.2 CNC(=O)C(Cl)C(=O)C MCULE-7816149596 [0,1,0,0,0,0|3,0,0]=4 444 B8R0.2 COC(=O)C(Br)C(=O)C MCULE-4571030586 [0,1,0,0,0,0|2,0,0]=3 445 B8R0.2 COC(=O)C(C)C(=O)C MCULE-7473005493 [0,1,0,0,0,0|2,0,0]=3 446 B8R0.2 COC(=O)C(C)C(=O)N MCULE-7480268767 [0,1,0,0,0,0|2,0,0]=3 447 B8R0.2 COC(=O)C(C)C(=O)O MCULE-6548116408 [0,1,0,0,0,0|1,0,0]=2 448 B8R0.2 COC(=O)C(C)C(C)O MCULE-1377857651 [0,1,0,0,0,0|2,0,1]=4 449 B8R0.2 COC(=O)C(C)N(=O)=O MCULE-1508014455 [0,1,0,0,0,0|2,0,1]=4 450 B8R0.2 COC(=O)C(Cl)C(=O)C MCULE-8703201551 [0,1,0,0,0,0|2,0,0]=3 451 B8R0.2 COC(=O)C(N)C(=O)C MCULE-6003738013 [0,1,0,0,0,0|2,0,0]=3 452 B8R0.2 COC(=O)C(N)C(=O)C MCULE-6286319401 [0,1,0,0,0,0|2,0,0]=3 453 B8R0.2 COC(=O)C(N)C(=O)O MCULE-2696171130 [0,1,0,0,0,0|1,0,0]=2 454 B8R0.2 COC(=O)C(N)C(=O)O MCULE-7192453479 [0,1,0,0,0,0|1,0,0]=2 455 B8R0.2 COC(=O)C(N)C(C)O MCULE-4054504482 [0,1,0,0,0,0|2,0,1]=4 456 B8R0.2 COC(=O)C(N)C(C)O MCULE-5137175004 [0,1,0,0,0,0|2,0,1]=4 457 B8R0.2 COC(=O)C(O)C(C)Br MCULE-7007726043 [0,1,0,0,0,0|2,0,1]=4 458 B8R0.2 COC(=O)C(O)C(C)C MCULE-8424293497 [0,1,0,0,0,0|2,0,1]=4 459 B8R0.2 COC(=O)C(O)C(C)N MCULE-7579168292 [0,1,0,0,0,0|2,0,1]=4 460 B8R0.2 COC(=O)[C@@H](N)C(=O)O MCULE-3813999303 [0,1,0,0,0,0|1,0,0]=2 461 B8R0.2 COC(=O)[C@@H](N)C(=O)O MCULE-7475117362 [0,1,0,0,0,0|1,0,0]=2 462 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O MCULE-3396042563 [0,1,0,0,0,0|2,0,1]=4 463 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O MCULE-3984373535 [0,1,0,0,0,0|2,0,1]=4 464 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O MCULE-5105961994 [0,1,0,0,0,0|2,0,1]=4 465 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O MCULE-6341068916 [0,1,0,0,0,0|2,0,1]=4 466 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O MCULE-6365007520 [0,1,0,0,0,0|2,0,1]=4 467 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O MCULE-9648470447 [0,1,0,0,0,0|2,0,1]=4 468 B8R0.2 COC(=O)[C@@H](N)[C@H](C)O MCULE-1344493357 [0,1,0,0,0,0|2,0,1]=4 469 B8R0.2 COC(=O)[C@@H](N)[C@H](C)O MCULE-2707639795 [0,1,0,0,0,0|2,0,1]=4 470 B8R0.2 COC(=O)[C@@H](N)[C@H](C)O MCULE-5310976879 [0,1,0,0,0,0|2,0,1]=4 471 B8R0.2 COC(=O)[C@@H](N)[C@H](C)O MCULE-5466279343 [0,1,0,0,0,0|2,0,1]=4 472 B8R0.2 COC(=O)[C@@H](N)[C@H](C)O MCULE-7651050243 [0,1,0,0,0,0|2,0,1]=4 473 B8R0.2 COC(=O)[C@@H](N)[C@H](C)O MCULE-9066216802 [0,1,0,0,0,0|2,0,1]=4 474 B8R0.2 COC(=O)[C@@H](O)C(C)C MCULE-5130677971 [0,1,0,0,0,0|2,0,1]=4 475 B8R0.2 COC(=O)[C@@H](O)C(C)C MCULE-7282119938 [0,1,0,0,0,0|2,0,1]=4 476 B8R0.2 COC(=O)[C@H](N)[C@@H](C)O MCULE-5915481519 [0,1,0,0,0,0|2,0,1]=4 477 B8R0.2 COC(=O)[C@H](N)[C@@H](C)O MCULE-6143392922 [0,1,0,0,0,0|2,0,1]=4 478 B8R0.2 COC(=O)[C@H](N)[C@@H](C)O MCULE-8582390480 [0,1,0,0,0,0|2,0,1]=4 479 B8R0.2 COC(=O)[C@H](N)[C@@H](C)O MCULE-8654293763 [0,1,0,0,0,0|2,0,1]=4 480 B8R0.2 COC(=O)[C@H](N)[C@H](C)O MCULE-1159030229 [0,1,0,0,0,0|2,0,1]=4 481 B8R0.2 COC(=O)[C@H](N)[C@H](C)O MCULE-3519054990 [0,1,0,0,0,0|2,0,1]=4 482 B8R0.2 COC(=O)[C@H](N)[C@H](C)O MCULE-9015310634 [0,1,0,0,0,0|2,0,1]=4 483 B8R0.2 COC(=O)[C@H](N)[C@H](C)O MCULE-9519182030 [0,1,0,0,0,0|2,0,1]=4 484 B8R0.2 COC(=O)[C@H](O)C(C)C MCULE-2046755935 [0,1,0,0,0,0|2,0,1]=4 485 B8R0.2 COC(=O)[C@H](O)C(C)C MCULE-7450255928 [0,1,0,0,0,0|2,0,1]=4 486 B8R0.2 COC(C)C(Br)C(=O)O MCULE-2500266383 [0,1,0,0,0,0|2,0,1]=4 487 B8R0.2 COC(C)C(O)C(=O)O MCULE-2673265957 [0,1,0,0,0,0|1,0,1]=3 488 B8R0.2 CO[C@@H](C)[C@@H](N)C(=O)O MCULE-2479965444 [0,1,0,0,0,0|2,0,1]=4 489 B8R0.2 CO[C@@H](C)[C@@H](N)C(=O)O MCULE-3288712191 [0,1,0,0,0,0|2,0,1]=4 490 B8R0.2 CO[C@@H](C)[C@@H](N)C(=O)O MCULE-6827226453 [0,1,0,0,0,0|2,0,1]=4 491 B8R0.2 CO[C@@H](C)[C@H](N)C(=O)O MCULE-6762158780 [0,1,0,0,0,0|2,0,1]=4 492 B8R0.2 CO[C@@H](C)[C@H](N)C(=O)O MCULE-9087542117 [0,1,0,0,0,0|2,0,1]=4 493 B8R0.2 CO[C@H](C)[C@@H](N)C(=O)O MCULE-6235935164 [0,1,0,0,0,0|2,0,1]=4 494 B8R0.2 CO[C@H](C)[C@@H](N)C(=O)O MCULE-6758536252 [0,1,0,0,0,0|2,0,1]=4 495 B8R0.2 CO[C@H](C)[C@H](N)C(=O)O MCULE-7334607468 [0,1,0,0,0,0|2,0,1]=4 496 B8R0.2 CO[C@H](C)[C@H](N)C(=O)O MCULE-8564530384 [0,1,0,0,0,0|2,0,1]=4 497 B8R0.2 C[C@@H](O)[C@@H](O)[C@@H](O)C=O MCULE-1942337033 [0,1,0,0,0,0|1,0,2]=4 498 B8R0.2 C[C@@H](O)[C@@H](O)[C@@H](O)C=O MCULE-4131864005 [0,1,0,0,0,0|1,0,2]=4 499 B8R0.2 C[C@H](O)[C@H](O)[C@@H](O)C=O MCULE-8061692459 [0,1,0,0,0,0|1,0,2]=4 500 B8R0.2 C[C@H](O)[C@H](O)[C@H](O)C=O MCULE-5963868974 [0,1,0,0,0,0|1,0,2]=4 501 B8R0.2 O=C(O)C(O)C(O)CO MCULE-1397527919 [0,1,0,0,0,0|0,0,2]=3 502 B8R0.2 O=C(O)[C@H](O)[C@H](O)CO MCULE-1531474304 [0,1,0,0,0,0|0,0,2]=3 503 B8R0.2 O=C(O)[C@H](O)[C@H](O)CO MCULE-3829421433 [0,1,0,0,0,0|0,0,2]=3 504 B8R0.2 O=C([O-])C(O)C(O)CO MCULE-4453733473 [0,1,0,0,0,0|0,0,3]=4 505 B8R0.2 O=C([O-])[C@H](O)[C@H](O)CO MCULE-1044422592 [0,1,0,0,0,0|0,0,3]=4 506 B8R0.2 O=C([O-])[C@H](O)[C@H](O)CO MCULE-1805281668 [0,1,0,0,0,0|0,0,3]=4 507 B8R0.2 O=C/C(=C(/Br)\C(=O)O)/Br MCULE-4235787323 [0,1,0,0,0,0|2,0,1]=4 508 B8R0.2 O=C/C(=C(/Cl)\C(=O)O)/Cl MCULE-5383258560 [0,1,0,0,0,0|2,0,1]=4 509 B8R0.2 O=C/C(=C(\Cl)/C(=O)O)/Cl MCULE-2800807401 [0,1,0,0,0,0|2,0,1]=4 510 B8R0.2 O=CC(=C(Br)C(=O)O)Br MCULE-6159934056 [0,1,0,0,0,0|2,0,1]=4 511 B8R0.2 O=CC(=C(Cl)C(=O)O)Cl MCULE-1478625845 [0,1,0,0,0,0|2,0,1]=4 512 B8R0.18 CC(=O)C(=NO)C(=O)C MCULE-5277683993 [0,1,0,0,0,0|2,0,1]=4 513 B8R0.18 CC(=O)C(C=O)C(=O)C MCULE-8700117770 [0,1,0,0,0,0|2,0,1]=4 514 B8R0.18 CC(C)C(CO)C(=O)O MCULE-3554430088 [0,1,0,0,0,0|2,0,1]=4 515 B8R0.18 CC(C)[C@H](NO)C(=O)O MCULE-4203177410 [0,1,0,0,0,0|2,0,1]=4 516 B8R0.18 CCC(C(=O)C)C(=O)C MCULE-2654310210 [0,1,0,0,0,0|3,0,0]=4 517 B8R0.18 CCC(C(=O)C)C(=O)[O-] MCULE-6595833151 [0,1,0,0,0,0|2,0,1]=4 518 B8R0.18 CCC(C(=O)C)C(=O)[O-] MCULE-8541174028 [0,1,0,0,0,0|2,0,1]=4 519 B8R0.18 CCC(C(=O)Cl)C(=O)Cl MCULE-8542721391 [0,1,0,0,0,0|3,0,0]=4 520 B8R0.18 CCC(C(=O)O)C(=O)O MCULE-3288957588 [0,1,0,0,0,0|1,0,0]=2 521 B8R0.18 CCC(C(=O)O)C(C)O MCULE-1064081188 [0,1,0,0,0,0|2,0,1]=4 522 B8R0.18 CCC(C(=O)[O-])C(=O)[O-] MCULE-5481544745 [0,1,0,0,0,0|1,0,2]=4 523 B8R0.18 CNC(C(=O)O)C(C)O MCULE-8017224741 [0,1,0,0,0,0|2,0,1]=4 524 B8R0.18 CN[C@H](C(=O)O)[C@@H](C)O MCULE-5405618703 [0,1,0,0,0,0|2,0,1]=4 525 B8R0.18 CN[C@H](C(=O)O)[C@@H](C)O MCULE-6470355986 [0,1,0,0,0,0|2,0,1]=4 526 B8R0.18 CN[C@H](C(=O)O)[C@@H](C)O MCULE-7261692258 [0,1,0,0,0,0|2,0,1]=4 527 B8R0.18 CN[C@H](C(=O)O)[C@@H](C)O MCULE-7763091319 [0,1,0,0,0,0|2,0,1]=4 528 B8R0.18 CN[C@H](C(=O)O)[C@@H](C)O MCULE-8429501411 [0,1,0,0,0,0|2,0,1]=4 529 B8R0.18 COC(C(=O)C)C(=O)C MCULE-2169553892 [0,1,0,0,0,0|2,0,0]=3 530 B8R0.18 COC(C(=O)O)C(C)Br MCULE-9261088290 [0,1,0,0,0,0|2,0,1]=4 531 B8R0.18 COC(C(=O)O)C(C)C MCULE-4922461673 [0,1,0,0,0,0|2,0,1]=4 532 B8R0.18 COC(C(=O)O)C(C)C MCULE-6661618070 [0,1,0,0,0,0|2,0,1]=4 533 B8R0.18 COC(C(=O)O)C(C)N MCULE-5882264486 [0,1,0,0,0,0|2,0,1]=4 534 B8R0.18 CON(C(=O)C)C(=O)C MCULE-2051447741 [0,1,0,0,0,0|3,0,0]=4 535 B8R0.18 CO[C@@H](C(=O)O)C(C)C MCULE-1619707717 [0,1,0,0,0,0|2,0,1]=4 536 B8R0.18 CO[C@H](C(=O)O)C(C)C MCULE-2291773409 [0,1,0,0,0,0|2,0,1]=4 537 B8R0.18 NC(=O)C(=NO)C(=O)N MCULE-6171791903 [0,1,0,0,0,0|2,0,1]=4 538 B8R0.18 O=C(O)C(=CBr)C(=O)O MCULE-6610352716 [0,1,0,0,0,0|1,0,1]=3 539 B8R0.27 CC(C(=O)O)P(=O)(O)O MCULE-8565461015 [0,1,0,0,0,0|2,0,0]=3 540 B8R0.27 CC(C(=O)O)S(=O)(=O)C MCULE-7357476405 [0,1,0,0,0,0|2,0,1]=4 541 B8R0.27 CC(C(=O)O)S(=O)(=O)N MCULE-9865873949 [0,1,0,0,0,0|2,0,1]=4 542 B8R0.27 CC(C)(C)C(O)C(=O)O MCULE-2831225594 [0,1,0,0,0,0|2,0,1]=4 543 B8R0.27 CC(C)(C)C(O)C(=O)O MCULE-6241480954 [0,1,0,0,0,0|2,0,1]=4 544 B8R0.27 CC(C)(C)[C@@H](O)C(=O)O MCULE-4712331175 [0,1,0,0,0,0|2,0,1]=4 545 B8R0.27 CC(C)(C)[C@@H](O)C(=O)O MCULE-9440383034 [0,1,0,0,0,0|2,0,1]=4 546 B8R0.27 CC(C)(C)[C@H](O)C(=O)O MCULE-4165755614 [0,1,0,0,0,0|2,0,1]=4 547 B8R0.27 CC(C)(C)[C@H](O)C(=O)O MCULE-6845662197 [0,1,0,0,0,0|2,0,1]=4 548 B8R0.27 CC(C)(O)C(N)C(=O)O MCULE-4257891769 [0,1,0,0,0,0|2,0,1]=4 549 B8R0.27 CC(C)(O)C(N)C(=O)O MCULE-4291820573 [0,1,0,0,0,0|2,0,1]=4 550 B8R0.27 CC(C)(O)C(N)C(=O)O MCULE-8731964950 [0,1,0,0,0,0|2,0,1]=4 551 B8R0.27 CC(C)(O)C(O)C(=O)O MCULE-2030710507 [0,1,0,0,0,0|1,0,1]=3 552 B8R0.27 CC(C)(O)[C@@H](N)C(=O)O MCULE-2953137860 [0,1,0,0,0,0|2,0,1]=4 553 B8R0.27 CC(C)(O)[C@@H](N)C(=O)O MCULE-3424625974 [0,1,0,0,0,0|2,0,1]=4 554 B8R0.27 CC(C)(O)[C@H](N)C(=O)O MCULE-3721152032 [0,1,0,0,0,0|2,0,1]=4 555 B8R0.27 CC(C)(O)[C@H](N)C(=O)O MCULE-7599346102 [0,1,0,0,0,0|2,0,1]=4 556 B8R0.27 CC(C)(O)[C@H](N)C(=O)O MCULE-9499245205 [0,1,0,0,0,0|2,0,1]=4 557 B8R0.27 CP(=O)(C)C(O)C(=O)O MCULE-6921301874 [0,1,0,0,0,0|2,0,0]=3 558 B8R0.27 O=C(O)C(Cl)P(=O)(O)O MCULE-8492715834 [0,1,0,0,0,0|2,0,0]=3 559 B8R0.27 O=C(O)C(O)C(F)(F)F MCULE-5680860171 [0,1,0,0,0,0|2,0,1]=4 560 B8R0.27 O=C(O)C(O)P(=O)(O)O MCULE-5564177953 [0,1,0,0,0,0|1,0,0]=2 561 B8R0.27 O=C(O)[C@@H](O)C(F)(F)F MCULE-6359246138 [0,1,0,0,0,0|2,0,1]=4 562 B8R0.27 O=C(O)[C@@H](O)C(F)(F)F MCULE-6583810105 [0,1,0,0,0,0|2,0,1]=4 563 B8R0.27 O=C(O)[C@H](O)C(F)(F)F MCULE-7803397404 [0,1,0,0,0,0|2,0,1]=4 564 B8R0.27 O=C(O)[C@H](O)C(F)(F)F MCULE-9794017640 [0,1,0,0,0,0|2,0,1]=4 565 B8R0.27 [C@@H](N)(C(=O)O)C(C)(C)O MCULE-5116872005 [0,1,0,0,0,0|2,0,1]=4 566 B8R0.37 C=C(C)C(C)(C)C(=O)O MCULE-2186408605 [0,1,0,0,0,0|3,0,0]=4 567 B8R0.37 C=C(Cl)C(C)(C)C(=O)O MCULE-1485350518 [0,1,0,0,0,0|3,0,0]=4 568 B8R0.37 CC(=O)C(C)(C)C(=O)C MCULE-5128209361 [0,1,0,0,0,0|3,0,0]=4 569 B8R0.37 CC(=O)C(C)(C)C(=O)O MCULE-5093326895 [0,1,0,0,0,0|2,0,0]=3 570 B8R0.37 CC(=O)C(C)(C)C(=O)[O-] MCULE-6832030747 [0,1,0,0,0,0|2,0,1]=4 571 B8R0.37 CC(=O)C(F)(Cl)C(=O)C MCULE-6002616162 [0,1,0,0,0,0|3,0,0]=4 572 B8R0.37 CC(C)(C(=O)Cl)C(=O)Cl MCULE-1150837488 [0,1,0,0,0,0|3,0,0]=4 573 B8R0.37 CC(C)(C(=O)N)C(=O)N MCULE-2181233977 [0,1,0,0,0,0|3,0,0]=4 574 B8R0.37 CC(C)(C(=O)N)C(=O)O MCULE-2390691265 [0,1,0,0,0,0|2,0,0]=3 575 B8R0.37 CC(C)(C(=O)O)C(=O)O MCULE-7318511088 [0,1,0,0,0,0|1,0,0]=2 576 B8R0.37 CC(C)C(C)(O)C(=O)O MCULE-3909217790 [0,1,0,0,0,0|2,0,1]=4 577 B8R0.37 CC(O)(C(=O)O)C(F)F MCULE-8638068323 [0,1,0,0,0,0|2,0,1]=4 578 B8R0.37 CC(O)C(C)(N)C(=O)O MCULE-9781647782 [0,1,0,0,0,0|2,0,1]=4 579 B8R0.37 CC(O)C(C)(O)C(=O)O MCULE-5546110054 [0,1,0,0,0,0|1,0,1]=3 580 B8R0.37 CC(O)C(F)(F)C(=O)O MCULE-8714570962 [0,1,0,0,0,0|2,0,1]=4 581 B8R0.37 C[C@@H](O)[C@](C)(N)C(=O)O MCULE-4212497890 [0,1,0,0,0,0|2,0,1]=4 582 B8R0.37 C[C@@H](O)[C@](C)(N)C(=O)O MCULE-7382680634 [0,1,0,0,0,0|2,0,1]=4 583 B8R0.37 C[C@H](O)[C@@](C)(N)C(=O)O MCULE-5661079280 [0,1,0,0,0,0|2,0,1]=4 584 B8R0.37 NC(=O)C(Br)(Br)C(=O)N MCULE-6758740224 [0,1,0,0,0,0|3,0,0]=4 585 B8R0.37 NC(=O)C(F)(F)C(=O)N MCULE-3505764072 [0,1,0,0,0,0|3,0,0]=4 586 B8R0.37 O=C(F)C(F)(F)C(=O)F MCULE-9160770290 [0,1,0,0,0,0|3,0,0]=4 587 B8R0.37 O=C(O)C(F)(F)C(=O)O MCULE-4438516030 [0,1,0,0,0,0|1,0,0]=2 588 B8R0.37 O=C(O)C(O)(O)C(=O)O MCULE-1610310703 [0,1,0,0,0,0|0,0,0]=1 589 B8R0.37 O=C([O-])C(O)(O)C(=O)[O-] MCULE-3122749001 [0,1,0,0,0,0|0,0,2]=3 590 B8R1.31 C=C1CCC1C(=O)O MCULE-7307560863 [0,0,0,1,0,0|3,0,0]=4 591 B8R1.31 O=C(O)C1CCC1O MCULE-5612797663 [0,0,0,1,0,0|2,0,1]=4 592 B8R1.31 O=C(O)[C@@H]1CC[C@H]1O MCULE-4502275905 [0,0,0,1,0,0|2,0,1]=4 593 B8R1.31 O=C(O)[C@H]1CC[C@@H]1O MCULE-1446557503 [0,0,0,1,0,0|2,0,1]=4 594 B8R1.50 CC1=C(C(=O)CO1)O MCULE-9541217217 [0,0,0,1,0,0|2,0,1]=4 595 B8R1.50 CC1=C(C(=O)OC1)O MCULE-7870847121 [0,0,0,1,0,0|2,0,1]=4 596 B8R1.50 CC1=C(COC1=O)O MCULE-4822806082 [0,0,0,1,0,0|2,0,1]=4 597 B8R1.50 CC1=NOC(=O)C1C MCULE-6668573558 [0,0,0,1,0,0|3,0,0]=4 598 B8R1.50 CC1C(=O)CCC1=O MCULE-4418458735 [0,0,0,1,0,0|3,0,0]=4 599 B8R1.50 CC1C(=O)COC1=O MCULE-4188541096 [0,0,0,1,0,0|2,0,0]=3 600 B8R1.50 CN1C(=O)COC1=O MCULE-1190604947 [0,0,0,1,0,0|3,0,0]=4 601 B8R1.50 O=C1C=CC(=O)N1O MCULE-9775072223 [0,0,0,1,0,0|3,0,0]=4 602 B8R1.50 O=C1CCC(=O)C1Br MCULE-7463233898 [0,0,0,1,0,0|3,0,0]=4 603 B8R1.50 O=C1CCC(=O)C1Cl MCULE-9440848782 [0,0,0,1,0,0|3,0,0]=4 604 B8R1.50 O=C1CCC(=O)N1O MCULE-5478278340 [0,0,0,1,0,0|3,0,0]=4 605 B8R1.50 O=C1COC(=O)C1Br MCULE-7458581655 [0,0,0,1,0,0|2,0,0]=3 606 B8R1.50 O=C1COC(=O)C1Cl MCULE-1326411169 [0,0,0,1,0,0|2,0,0]=3 607 B8R1.50 O=C1OCC(=C1Br)O MCULE-3463044896 [0,0,0,1,0,0|2,0,1]=4 608 B8R1.50 O=C1OCC(C1O)O MCULE-9766741798 [0,0,0,1,0,0|1,0,1]=3 609 B8R1.50 O=C1OC[C@@H]([C@@H]1Br)O MCULE-5447777048 [0,0,0,1,0,0|2,0,1]=4 610 B8R1.50 O=C1OC[C@@H]([C@@H]1Br)O MCULE-8691985034 [0,0,0,1,0,0|2,0,1]=4 611 B8R1.50 O=C1OC[C@@H]([C@@H]1O)O MCULE-8629460196 [0,0,0,1,0,0|1,0,1]=3 612 B8R1.50 O=C1OC[C@@H]([C@H]1O)O MCULE-7303431003 [0,0,0,1,0,0|1,0,1]=3 613 B8R1.50 O=C1OC[C@H]([C@H]1O)O MCULE-4704805755 [0,0,0,1,0,0|1,0,1]=3 614 B8R1.50 O=C1OC[C@H]([C@H]1O)O MCULE-7070309718 [0,0,0,1,0,0|1,0,1]=3 615 B8R1.50 O=C1OC[C@H]([C@H]1O)O MCULE-7824820688 [0,0,0,1,0,0|1,0,1]=3 616 B8R1.54 O=C(O)C(O)C1CC1 MCULE-9945035089 [0,0,0,1,0,0|2,0,1]=4 617 B8R1.54 O=C(O)[C@@H](O)C1CC1 MCULE-2409990996 [0,0,0,1,0,0|2,0,1]=4 618 B8R1.54 O=C(O)[C@H](O)C1CC1 MCULE-2255829314 [0,0,0,1,0,0|2,0,1]=4 619 B8R1.77 CC1(OC1C(=O)O)C MCULE-6178976856 [0,0,0,1,0,0|2,0,1]=4 620 B8R0.23 C(=C(Br)C(=O)O)C(=O)O MCULE-1343964958 [0,0,0,0,0,1|1,0,1]=3 621 B8R0.23 C(N)(CS(=O)C)C(=O)O MCULE-3320985154 [0,0,0,0,0,1|3,0,0]=4 622 B8R0.23 C/C(=C/C(=O)O)/C(=O)O MCULE-9648210920 [0,0,0,0,0,1|1,0,1]=3 623 B8R0.23 C/C(=C\C(=O)O)/C(=O)O MCULE-1060050416 [0,0,0,0,0,1|1,0,1]=3 624 B8R0.23 C=C(Br)CC(N)C(=O)O MCULE-2311003313 [0,0,0,0,0,1|3,0,0]=4 625 B8R0.23 C=C(Br)C[C@@H](N)C(=O)O MCULE-2061865879 [0,0,0,0,0,1|3,0,0]=4 626 B8R0.23 C=C(Br)C[C@@H](N)C(=O)O MCULE-6617690939 [0,0,0,0,0,1|3,0,0]=4 627 B8R0.23 C=C(Br)C[C@H](N)C(=O)O MCULE-2602336550 [0,0,0,0,0,1|3,0,0]=4 628 B8R0.23 C=C(Br)C[C@H](N)C(=O)O MCULE-9274484893 [0,0,0,0,0,1|3,0,0]=4 629 B8R0.23 C=C(C)C(N)CC(=O)O MCULE-5527747045 [0,0,0,0,0,1|3,0,0]=4 630 B8R0.23 C=C(C)CC(C)C(=O)O MCULE-7268483710 [0,0,0,0,0,1|3,0,0]=4 631 B8R0.23 C=C(C)CC(N)C(=O)O MCULE-5915882776 [0,0,0,0,0,1|3,0,0]=4 632 B8R0.23 C=C(C)C[C@@H](N)C(=O)O MCULE-2841714882 [0,0,0,0,0,1|3,0,0]=4 633 B8R0.23 C=C(C)C[C@H](C)C(=O)O MCULE-9053114079 [0,0,0,0,0,1|3,0,0]=4 634 B8R0.23 C=C(C)C[C@H](N)C(=O)O MCULE-1029058491 [0,0,0,0,0,1|3,0,0]=4 635 B8R0.23 C=C(C)C[C@H](N)C(=O)O MCULE-6974720260 [0,0,0,0,0,1|3,0,0]=4 636 B8R0.23 C=C(C)[C@@H](O)CC(=O)O MCULE-9399932923 [0,0,0,0,0,1|2,0,0]=3 637 B8R0.23 C=C(CC(=O)O)C(=O)O MCULE-5221256796 [0,0,0,0,0,1|1,0,1]=3 638 B8R0.23 C=C(Cl)CC(N)C(=O)O MCULE-3498417929 [0,0,0,0,0,1|3,0,0]=4 639 B8R0.23 C=C(Cl)CC(N)C(=O)O MCULE-7451890779 [0,0,0,0,0,1|3,0,0]=4 640 B8R0.23 C=C(NC(=O)C)C(=O)O MCULE-6963284423 [0,0,0,0,0,1|2,0,1]=4 641 B8R0.23 CC(=CC(=O)O)C(=O)O MCULE-9291663033 [0,0,0,0,0,1|1,0,1]=3 642 B8R0.23 CC(=NC(=O)N)C(=O)O MCULE-5921330982 [0,0,0,0,0,1|2,0,1]=4 643 B8R0.23 CC(=O)C(C)CC(=O)O MCULE-9095166615 [0,0,0,0,0,1|2,0,0]=3 644 B8R0.23 CC(=O)C(N)CC(=O)O MCULE-7043175556 [0,0,0,0,0,1|2,0,0]=3 645 B8R0.23 CC(=O)CC(C)C(=O)O MCULE-4640477792 [0,0,0,0,0,1|2,0,0]=3 646 B8R0.23 CC(=O)CC(N)C(=O)O MCULE-6275652695 [0,0,0,0,0,1|2,0,0]=3 647 B8R0.23 CC(=O)CC(N)C(=O)O MCULE-6690241894 [0,0,0,0,0,1|2,0,0]=3 648 B8R0.23 CC(=O)CC(O)C(=O)C MCULE-3447949844 [0,0,0,0,0,1|2,0,0]=3 649 B8R0.23 CC(=O)CC(O)C(=O)O MCULE-4728629069 [0,0,0,0,0,1|1,0,0]=2 650 B8R0.23 CC(=O)N(C)CC(=O)O MCULE-1037482941 [0,0,0,0,0,1|3,0,0]=4 651 B8R0.23 CC(=O)NC(C)C(=O)C MCULE-4672583112 [0,0,0,0,0,1|3,0,0]=4 652 B8R0.23 CC(=O)NC(C)C(=O)O MCULE-1209958700 [0,0,0,0,0,1|2,0,0]=3 653 B8R0.23 CC(=O)NC(C)C(=O)O MCULE-6844686208 [0,0,0,0,0,1|2,0,0]=3 654 B8R0.23 CC(=O)N[C@@H](C)C(=O)Cl MCULE-1899336261 [0,0,0,0,0,1|3,0,0]=4 655 B8R0.23 CC(=O)N[C@@H](C)C(=O)Cl MCULE-2242849037 [0,0,0,0,0,1|3,0,0]=4 656 B8R0.23 CC(=O)N[C@@H](C)C(=O)N MCULE-9322824133 [0,0,0,0,0,1|3,0,0]=4 657 B8R0.23 CC(=O)N[C@@H](C)C(=O)N MCULE-9348799148 [0,0,0,0,0,1|3,0,0]=4 658 B8R0.23 CC(=O)N[C@@H](C)C(=O)O MCULE-7453059048 [0,0,0,0,0,1|2,0,0]=3 659 B8R0.23 CC(=O)N[C@@H](C)C(=O)O MCULE-9637570463 [0,0,0,0,0,1|2,0,0]=3 660 B8R0.23 CC(=O)N[C@H](C)C(=O)O MCULE-1908712348 [0,0,0,0,0,1|2,0,0]=3 661 B8R0.23 CC(=O)N[C@H](C)C(=O)O MCULE-3023888296 [0,0,0,0,0,1|2,0,0]=3 662 B8R0.23 CC(=O)OC(C)C(=O)C MCULE-7403314261 [0,0,0,0,0,1|3,0,0]=4 663 B8R0.23 CC(=O)OC(C)C(=O)Cl MCULE-9987734584 [0,0,0,0,0,1|3,0,0]=4 664 B8R0.23 CC(=O)OC(C)C(=O)O MCULE-6745958064 [0,0,0,0,0,1|2,0,0]=3 665 B8R0.23 CC(=O)OC(C)C(=O)O MCULE-8940501529 [0,0,0,0,0,1|2,0,0]=3 666 B8R0.23 CC(=O)O[C@@H](C)C(=O)Cl MCULE-6842776649 [0,0,0,0,0,1|3,0,0]=4 667 B8R0.23 CC(=O)O[C@@H](C)C(=O)Cl MCULE-9564324053 [0,0,0,0,0,1|3,0,0]=4 668 B8R0.23 CC(=O)O[C@@H](C)C(=O)O MCULE-7850132202 [0,0,0,0,0,1|2,0,0]=3 669 B8R0.23 CC(=O)O[C@@H](C)C(=O)O MCULE-9087871033 [0,0,0,0,0,1|2,0,0]=3 670 B8R0.23 CC(=O)O[C@H](C)C(=O)Cl MCULE-4690787544 [0,0,0,0,0,1|3,0,0]=4 671 B8R0.23 CC(=O)O[C@H](C)C(=O)Cl MCULE-6415823129 [0,0,0,0,0,1|3,0,0]=4 672 B8R0.23 CC(=O)O[C@H](C)C(=O)O MCULE-3788243723 [0,0,0,0,0,1|2,0,0]=3 673 B8R0.23 CC(=O)O[C@H](C)C(=O)O MCULE-8696299139 [0,0,0,0,0,1|2,0,0]=3 674 B8R0.23 CC(C)C(O)CC(=O)O MCULE-2577623422 [0,0,0,0,0,1|2,0,1]=4 675 B8R0.23 CC(C)CC(O)C(=O)O MCULE-3638762911 [0,0,0,0,0,1|2,0,1]=4 676 B8R0.23 CC(C)CC(O)C(=O)O MCULE-4315013875 [0,0,0,0,0,1|2,0,1]=4 677 B8R0.23 CC(C)C[C@@H](O)C(=O)O MCULE-4108530385 [0,0,0,0,0,1|2,0,1]=4 678 B8R0.23 CC(C)C[C@@H](O)C(=O)O MCULE-5253943571 [0,0,0,0,0,1|2,0,1]=4 679 B8R0.23 CC(C)C[C@H](O)C(=O)O MCULE-1740362996 [0,0,0,0,0,1|2,0,1]=4 680 B8R0.23 CC(C)C[C@H](O)C(=O)O MCULE-4466965907 [0,0,0,0,0,1|2,0,1]=4 681 B8R0.23 CC(C)[C@@H](O)CC(=O)O MCULE-6946774834 [0,0,0,0,0,1|2,0,1]=4 682 B8R0.23 CC(CC(=O)Cl)C(=O)Cl MCULE-1409735811 [0,0,0,0,0,1|3,0,0]=4 683 B8R0.23 CC(CC(=O)N)C(=O)O MCULE-8238400356 [0,0,0,0,0,1|2,0,0]=3 684 B8R0.23 CC(CC(=O)O)C(=O)O MCULE-4824634360 [0,0,0,0,0,1|1,0,0]=2 685 B8R0.23 CC(CC(=O)O)C(=O)O MCULE-8116748590 [0,0,0,0,0,1|1,0,0]=2 686 B8R0.23 CC(CS(=O)C)C(=O)O MCULE-4855592077 [0,0,0,0,0,1|3,0,0]=4 687 B8R0.23 CC(NC(=N)N)C(=O)O MCULE-1509115617 [0,0,0,0,0,1|3,0,0]=4 688 B8R0.23 CC(NC(=O)N)C(=O)O MCULE-9370944250 [0,0,0,0,0,1|2,0,0]=3 689 B8R0.23 CC(O)C(N)CC(=O)O MCULE-5161755443 [0,0,0,0,0,1|2,0,1]=4 690 B8R0.23 CC(O)C(N)CC(=O)O MCULE-6370326858 [0,0,0,0,0,1|2,0,1]=4 691 B8R0.23 CN(C)CC(O)C(=O)O MCULE-2461037518 [0,0,0,0,0,1|3,0,0]=4 692 B8R0.23 CN(C)C[C@H](O)C(=O)O MCULE-7629489364 [0,0,0,0,0,1|3,0,0]=4 693 B8R0.23 CN(CC(=O)O)C(=O)N MCULE-6739535875 [0,0,0,0,0,1|3,0,0]=4 694 B8R0.23 CS(=O)CC(N)C(=O)O MCULE-5699602621 [0,0,0,0,0,1|3,0,0]=4 695 B8R0.23 CS(=O)C[C@@H](N)C(=O)O MCULE-8253087333 [0,0,0,0,0,1|3,0,0]=4 696 B8R0.23 CS(=O)C[C@H](N)C(=O)O MCULE-5080098254 [0,0,0,0,0,1|3,0,0]=4 697 B8R0.23 C[C@@H](CC(=O)O)C(=O)O MCULE-1711994689 [0,0,0,0,0,1|1,0,0]=2 698 B8R0.23 C[C@@H](CC(=O)O)C(=O)O MCULE-6107805812 [0,0,0,0,0,1|1,0,0]=2 699 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-1416044737 [0,0,0,0,0,1|2,0,1]=4 700 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-2990511228 [0,0,0,0,0,1|2,0,1]=4 701 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-3178455647 [0,0,0,0,0,1|2,0,1]=4 702 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-4413833682 [0,0,0,0,0,1|2,0,1]=4 703 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-7332826518 [0,0,0,0,0,1|2,0,1]=4 704 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-7552978009 [0,0,0,0,0,1|2,0,1]=4 705 B8R0.23 C[C@H](CC(=O)O)C(=O)O MCULE-2738295504 [0,0,0,0,0,1|1,0,0]=2 706 B8R0.23 C[C@H](CC(=O)O)C(=O)O MCULE-4544789339 [0,0,0,0,0,1|1,0,0]=2 707 B8R0.23 C[C@H](NC(=O)N)C(=O)O MCULE-7947685696 [0,0,0,0,0,1|2,0,0]=3 708 B8R0.23 C[C@H](O)[C@@H](N)CC(=O)O MCULE-8673070329 [0,0,0,0,0,1|2,0,1]=4 709 B8R0.23 C[S@](=O)C[C@@H](N)C(=O)O MCULE-4004385080 [0,0,0,0,0,1|3,0,0]=4 710 B8R0.23 NC(=O)C(N)CC(=O)O MCULE-2277575843 [0,0,0,0,0,1|2,0,0]=3 711 B8R0.23 NC(=O)CC(Br)C(=O)O MCULE-2823539046 [0,0,0,0,0,1|2,0,0]=3 712 B8R0.23 NC(=O)CC(N)C(=O)O MCULE-1395307434 [0,0,0,0,0,1|2,0,0]=3 713 B8R0.23 NC(=O)C[C@@H](N)C(=O)N MCULE-7126009795 [0,0,0,0,0,1|3,0,0]=4 714 B8R0.23 NC(=O)C[C@@H](N)C(=O)O MCULE-5685974579 [0,0,0,0,0,1|2,0,0]=3 715 B8R0.23 NC(=O)C[C@@H](N)C(=O)O MCULE-6923060287 [0,0,0,0,0,1|2,0,0]=3 716 B8R0.23 NC(=O)C[C@H](N)C(=O)N MCULE-3049784970 [0,0,0,0,0,1|3,0,0]=4 717 B8R0.23 NC(=O)C[C@H](N)C(=O)N MCULE-6209092318 [0,0,0,0,0,1|3,0,0]=4 718 B8R0.23 NC(=O)C[C@H](N)C(=O)N MCULE-7482170747 [0,0,0,0,0,1|3,0,0]=4 719 B8R0.23 NC(=O)C[C@H](N)C(=O)N MCULE-8939291995 [0,0,0,0,0,1|3,0,0]=4 720 B8R0.23 NC(=O)C[C@H](N)C(=O)O MCULE-1868046141 [0,0,0,0,0,1|2,0,0]=3 721 B8R0.23 NC(=O)C[C@H](N)C(=O)O MCULE-8248953574 [0,0,0,0,0,1|2,0,0]=3 722 B8R0.23 NC(=O)N(N)CC(=O)O MCULE-2553509411 [0,0,0,0,0,1|3,0,0]=4 723 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-1924512659 [0,0,0,0,0,1|2,0,0]=3 724 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-5836180326 [0,0,0,0,0,1|2,0,0]=3 725 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-8799617587 [0,0,0,0,0,1|2,0,0]=3 726 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-9477928215 [0,0,0,0,0,1|2,0,0]=3 727 B8R0.23 NC(=O)[C@H](N)CC(=O)O MCULE-5316198498 [0,0,0,0,0,1|2,0,0]=3 728 B8R0.23 NC(=O)[C@H](N)CC(=O)O MCULE-9833023193 [0,0,0,0,0,1|2,0,0]=3 729 B8R0.23 NC(CC(=O)O)C(=O)O MCULE-1247865301 [0,0,0,0,0,1|1,0,0]=2 730 B8R0.23 NC(CC(=O)O)C(=O)O MCULE-9328817309 [0,0,0,0,0,1|1,0,0]=2 731 B8R0.23 NC(CC(=O)O)C(=O)[O-] MCULE-5149469296 [0,0,0,0,0,1|1,0,1]=3 732 B8R0.23 NC(CC(=O)O)C(=O)[O-] MCULE-6655576025 [0,0,0,0,0,1|1,0,1]=3 733 B8R0.23 NC(CC(=O)[O-])C(=O)O MCULE-9221777365 [0,0,0,0,0,1|1,0,1]=3 734 B8R0.23 NC(CC(=O)[O-])C(=O)[O-] MCULE-5331717218 [0,0,0,0,0,1|1,0,2]=4 735 B8R0.23 NC(CC(=O)[O-])C(=O)[O-] MCULE-5921707862 [0,0,0,0,0,1|1,0,2]=4 736 B8R0.23 N[C@@H](CC(=O)O)C(=O)O MCULE-3710241722 [0,0,0,0,0,1|1,0,0]=2 737 B8R0.23 N[C@@H](CC(=O)O)C(=O)O MCULE-6700641640 [0,0,0,0,0,1|1,0,0]=2 738 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] MCULE-6196524297 [0,0,0,0,0,1|1,0,1]=3 739 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)O MCULE-5793000569 [0,0,0,0,0,1|1,0,1]=3 740 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-4019077430 [0,0,0,0,0,1|1,0,2]=4 741 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-5586538224 [0,0,0,0,0,1|1,0,2]=4 742 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-7845714288 [0,0,0,0,0,1|1,0,2]=4 743 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-8320700728 [0,0,0,0,0,1|1,0,2]=4 744 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-8905060145 [0,0,0,0,0,1|1,0,2]=4 745 B8R0.23 N[C@@H](CS(=O)O)C(=O)O MCULE-6647925908 [0,0,0,0,0,1|2,0,0]=3 746 B8R0.23 N[C@@H](CS(=O)O)C(=O)O MCULE-7596867929 [0,0,0,0,0,1|2,0,0]=3 747 B8R0.23 N[C@H](CC(=O)O)C(=O)O MCULE-8102700760 [0,0,0,0,0,1|1,0,0]=2 748 B8R0.23 O=C(O)/C=C(\F)/C(=O)O MCULE-5646698704 [0,0,0,0,0,1|1,0,1]=3 749 B8R0.23 O=C(O)C=C(F)C(=O)O MCULE-9862154394 [0,0,0,0,0,1|1,0,1]=3 750 B8R0.23 O=C(O)C=C(I)C(=O)O MCULE-3104454041 [0,0,0,0,0,1|1,0,1]=3 751 B8R0.23 O=C(O)CC(=O)C(=O)O MCULE-6059222019 [0,0,0,0,0,1|0,0,2]=3 752 B8R0.23 O=C(O)CC(Br)C(=O)O MCULE-8178780603 [0,0,0,0,0,1|1,0,0]=2 753 B8R0.23 O=C(O)CC(Cl)C(=O)O MCULE-6357456691 [0,0,0,0,0,1|1,0,0]=2 754 B8R0.23 O=C(O)CC(F)C(=O)O MCULE-8433198001 [0,0,0,0,0,1|1,0,0]=2 755 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-5852208511 [0,0,0,0,0,1|0,0,0]=1 756 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-9713558868 [0,0,0,0,0,1|0,0,0]=1 757 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-9924961830 [0,0,0,0,0,1|0,0,0]=1 758 B8R0.23 O=C(O)CC(S)C(=O)O MCULE-7005300961 [0,0,0,0,0,1|0,1,0]=2 759 B8R0.23 O=C(O)C[C@@H](Br)C(=O)O MCULE-4598056907 [0,0,0,0,0,1|1,0,0]=2 760 B8R0.23 O=C(O)C[C@@H](Br)C(=O)O MCULE-7861798045 [0,0,0,0,0,1|1,0,0]=2 761 B8R0.23 O=C(O)C[C@@H](O)C(=O)O MCULE-2239273084 [0,0,0,0,0,1|0,0,0]=1 762 B8R0.23 O=C(O)C[C@@H](O)C(=O)O MCULE-4984266891 [0,0,0,0,0,1|0,0,0]=1 763 B8R0.23 O=C(O)C[C@H](Br)C(=O)O MCULE-6763472515 [0,0,0,0,0,1|1,0,0]=2 764 B8R0.23 O=C(O)C[C@H](Br)C(=O)O MCULE-7524683930 [0,0,0,0,0,1|1,0,0]=2 765 B8R0.23 O=C(O)C[C@H](F)C(=O)O MCULE-9607625100 [0,0,0,0,0,1|1,0,0]=2 766 B8R0.23 O=C(O)C[C@H](O)C(=O)O MCULE-8339271078 [0,0,0,0,0,1|0,0,0]=1 767 B8R0.23 O=C(O)C[C@H](O)C(=O)O MCULE-8865188741 [0,0,0,0,0,1|0,0,0]=1 768 B8R0.23 O=C(O)C[C@H](O)C(=O)[O-] MCULE-1033530810 [0,0,0,0,0,1|0,0,1]=2 769 B8R0.23 O=C(O)C[C@H](S)C(=O)O MCULE-6393371024 [0,0,0,0,0,1|0,1,0]=2 770 B8R0.23 OC(=O)CN(C(=O)N)N MCULE-5081763144 [0,0,0,0,0,1|3,0,0]=4 771 B8R0.23 [C@@H](N)(CC(=O)O)C(=O)O MCULE-7899824165 [0,0,0,0,0,1|1,0,0]=2 772 B8R0.23 [C@H](N)(CS(=O)C)C(=O)O MCULE-5084638505 [0,0,0,0,0,1|3,0,0]=4 773 B8R0.23 [NH3+]C(CS(=O)[O-])C(=O)O MCULE-5293441756 [0,0,0,0,0,1|2,0,1]=4 774 B8R0.23 [NH3+][C@@H](CC(=O)[O-])C(=O)[O-] MCULE-1215535631 [0,0,0,0,0,1|1,0,2]=4 775 B5R0.1 C#CCC(=O)O MCULE-4680699666 [2,0,0,0,0,0|1,0,1]=4 776 B5R0.1 C/C=C/C(=O)O MCULE-6937494852 [2,0,0,0,0,0|1,0,1]=4 777 B5R0.1 C=CCC(=O)Cl MCULE-6033189203 [2,0,0,0,0,0|2,0,0]=4 778 B5R0.1 C=CCC(=O)N MCULE-1205335257 [2,0,0,0,0,0|2,0,0]=4 779 B5R0.1 C=CCC(=O)O MCULE-6288979337 [2,0,0,0,0,0|1,0,0]=3 780 B5R0.1 CC(=O)CCO MCULE-6328537335 [2,0,0,0,0,0|1,0,1]=4 781 B5R0.1 CC=CC(=O)O MCULE-7970410217 [2,0,0,0,0,0|1,0,1]=4 782 B5R0.1 CCCC(=O)O MCULE-4116382006 [2,0,0,0,0,0|1,0,1]=4 783 B5R0.1 CNCC(=O)O MCULE-3448356048 [2,0,0,0,0,0|2,0,0]=4 784 B5R0.1 CNCC(=O)O MCULE-4484444573 [2,0,0,0,0,0|2,0,0]=4 785 B5R0.1 COCC(=O)O MCULE-3945589151 [2,0,0,0,0,0|2,0,0]=4 786 B5R0.1 CSCC(=O)O MCULE-7003418159 [2,0,0,0,0,0|2,0,0]=4 787 B5R0.1 N#CCC(=O)O MCULE-3440765061 [2,0,0,0,0,0|1,0,1]=4 788 B5R0.1 NC(=O)CCO MCULE-4026170350 [2,0,0,0,0,0|1,0,1]=4 789 B5R0.1 NCCC(=O)O MCULE-1344289084 [2,0,0,0,0,0|1,0,1]=4 790 B5R0.1 NCCC(=O)O MCULE-2298605337 [2,0,0,0,0,0|1,0,1]=4 791 B5R0.1 NCCC(=O)O MCULE-9375577631 [2,0,0,0,0,0|1,0,1]=4 792 B5R0.1 NNCC(=O)O MCULE-4908184724 [2,0,0,0,0,0|2,0,0]=4 793 B5R0.1 NNCC(=O)O MCULE-6315598774 [2,0,0,0,0,0|2,0,0]=4 794 B5R0.1 NOCC(=O)O MCULE-4566186819 [2,0,0,0,0,0|2,0,0]=4 795 B5R0.1 NOCC(=O)O MCULE-4824237418 [2,0,0,0,0,0|2,0,0]=4 796 B5R0.1 NOCC(=O)O MCULE-8132180423 [2,0,0,0,0,0|2,0,0]=4 797 B5R0.1 O=C(O)/C=C/Br MCULE-7284519266 [2,0,0,0,0,0|1,0,1]=4 798 B5R0.1 O=C(O)/C=C/Cl MCULE-1625781671 [2,0,0,0,0,0|1,0,1]=4 799 B5R0.1 O=C(O)/C=C/I MCULE-3339607379 [2,0,0,0,0,0|1,0,1]=4 800 B5R0.1 O=C(O)/C=C\Br MCULE-6149049313 [2,0,0,0,0,0|1,0,1]=4 801 B5R0.1 O=C(O)/C=C\Cl MCULE-1221996674 [2,0,0,0,0,0|1,0,1]=4 802 B5R0.1 O=C(O)/C=C\I MCULE-3065405012 [2,0,0,0,0,0|1,0,1]=4 803 B5R0.1 O=C(O)/C=N/O MCULE-2471349844 [2,0,0,0,0,0|1,0,1]=4 804 B5R0.1 O=C(O)C=CBr MCULE-2956464856 [2,0,0,0,0,0|1,0,1]=4 805 B5R0.1 O=C(O)C=CCl MCULE-6369812151 [2,0,0,0,0,0|1,0,1]=4 806 B5R0.1 O=C(O)C=CI MCULE-7162332129 [2,0,0,0,0,0|1,0,1]=4 807 B5R0.1 O=C(O)C=NO MCULE-2039309679 [2,0,0,0,0,0|1,0,1]=4 808 B5R0.1 O=C(O)CCBr MCULE-2816055853 [2,0,0,0,0,0|1,0,1]=4 809 B5R0.1 O=C(O)CCCl MCULE-8511144183 [2,0,0,0,0,0|1,0,1]=4 810 B5R0.1 O=C(O)CCF MCULE-4382025684 [2,0,0,0,0,0|1,0,1]=4 811 B5R0.1 O=C(O)CCI MCULE-3371354708 [2,0,0,0,0,0|1,0,1]=4 812 B5R0.1 O=C(O)CCO MCULE-3428604829 [2,0,0,0,0,0|0,0,1]=3 813 B5R0.1 O=C(O)CCS MCULE-3211932163 [2,0,0,0,0,0|0,1,1]=4 814 B5R0.1 O=C(O)CNO MCULE-4437067339 [2,0,0,0,0,0|1,0,0]=3 815 B5R0.1 O=C([O-])CCO MCULE-4429611588 [2,0,0,0,0,0|0,0,2]=4 816 B5R0.3 C=CC(O)C=C MCULE-7283842025 [2,0,0,0,0,0|2,0,0]=4 817 B5R0.3 C=CC(O)CO MCULE-6172654550 [2,0,0,0,0,0|1,0,1]=4 818 B5R0.3 C=C[C@@H](O)CO MCULE-5957455616 [2,0,0,0,0,0|1,0,1]=4 819 B5R0.3 C=C[C@H](O)CO MCULE-6068203844 [2,0,0,0,0,0|1,0,1]=4 820 B5R0.3 C=C[C@H](O)CO MCULE-9367072182 [2,0,0,0,0,0|1,0,1]=4 821 B5R0.3 CN(C=O)C=O MCULE-7774435044 [2,0,0,0,0,0|2,0,0]=4 822 B5R0.3 O=CC(=CO)Br MCULE-8777401868 [2,0,0,0,0,0|1,0,1]=4 823 B5R0.3 O=CC(Br)C=O MCULE-4387864308 [2,0,0,0,0,0|1,0,0]=3 824 B5R0.3 O=CC(Cl)C=O MCULE-4927811862 [2,0,0,0,0,0|1,0,0]=3 825 B5R0.3 O=CC(O)CO MCULE-9581740191 [2,0,0,0,0,0|0,0,1]=3 826 B5R0.3 O=C[C@@H](O)CO MCULE-3883857491 [2,0,0,0,0,0|0,0,1]=3 827 B5R0.3 O=C[C@@H](O)CO MCULE-7852783182 [2,0,0,0,0,0|0,0,1]=3 828 B5R0.3 O=C[C@H](O)CO MCULE-4574984840 [2,0,0,0,0,0|0,0,1]=3 829 B5R0.3 OCC(O)CO MCULE-6349111826 [2,0,0,0,0,0|0,0,2]=4 830 B5R0.5 C=C(Br)C(=O)O MCULE-2068246942 [2,0,0,0,0,0|1,0,1]=4 831 B5R0.5 C=C(C)C(=O)O MCULE-9899621926 [2,0,0,0,0,0|1,0,1]=4 832 B5R0.5 C=C(Cl)C(=O)O MCULE-8316225208 [2,0,0,0,0,0|1,0,1]=4 833 B5R0.5 C=C(F)C(=O)O MCULE-7137929861 [2,0,0,0,0,0|1,0,1]=4 834 B5R0.5 CC(=O)C(=O)O MCULE-8587144313 [2,0,0,0,0,0|1,0,1]=4 835 B5R0.5 CC(=O)C(C)O MCULE-5374414264 [2,0,0,0,0,0|1,0,1]=4 836 B5R0.5 CC(Br)C(=O)O MCULE-3935837943 [2,0,0,0,0,0|1,0,1]=4 837 B5R0.5 CC(Br)C(=O)O MCULE-6068441065 [2,0,0,0,0,0|1,0,1]=4 838 B5R0.5 CC(C)C(=O)O MCULE-7783770647 [2,0,0,0,0,0|1,0,1]=4 839 B5R0.5 CC(Cl)C(=O)O MCULE-3597230803 [2,0,0,0,0,0|1,0,1]=4 840 B5R0.5 CC(Cl)C(=O)O MCULE-5449120618 [2,0,0,0,0,0|1,0,1]=4 841 B5R0.5 CC(F)C(=O)O MCULE-7334922730 [2,0,0,0,0,0|1,0,1]=4 842 B5R0.5 CC(N)C(=O)O MCULE-3498369789 [2,0,0,0,0,0|1,0,1]=4 843 B5R0.5 CC(N)C(=O)O MCULE-3809839392 [2,0,0,0,0,0|1,0,1]=4 844 B5R0.5 CC(N)C(=O)O MCULE-4751903561 [2,0,0,0,0,0|1,0,1]=4 845 B5R0.5 CC(N)C(=O)O MCULE-6963397848 [2,0,0,0,0,0|1,0,1]=4 846 B5R0.5 CC(O)C(=O)N MCULE-6247123668 [2,0,0,0,0,0|1,0,1]=4 847 B5R0.5 CC(O)C(=O)N MCULE-7823792358 [2,0,0,0,0,0|1,0,1]=4 848 B5R0.5 CC(O)C(=O)O MCULE-3922256529 [2,0,0,0,0,0|0,0,1]=3 849 B5R0.5 CC(O)C(=O)O MCULE-5387110670 [2,0,0,0,0,0|0,0,1]=3 850 B5R0.5 CC(O)C(=O)[O-] MCULE-1056716990 [2,0,0,0,0,0|0,0,2]=4 851 B5R0.5 CC(O)C(=O)[O-] MCULE-8184872865 [2,0,0,0,0,0|0,0,2]=4 852 B5R0.5 CC(O)C(=O)[O-] MCULE-8730993694 [2,0,0,0,0,0|0,0,2]=4 853 B5R0.5 CC(S)C(=O)O MCULE-6944738352 [2,0,0,0,0,0|0,1,1]=4 854 B5R0.5 C[C@@H](Br)C(=O)O MCULE-8303539222 [2,0,0,0,0,0|1,0,1]=4 855 B5R0.5 C[C@@H](Br)C(=O)O MCULE-8530283309 [2,0,0,0,0,0|1,0,1]=4 856 B5R0.5 C[C@@H](Cl)C(=O)O MCULE-6578788045 [2,0,0,0,0,0|1,0,1]=4 857 B5R0.5 C[C@@H](Cl)C(=O)O MCULE-8314108697 [2,0,0,0,0,0|1,0,1]=4 858 B5R0.5 C[C@@H](N)C(=O)O MCULE-3571488623 [2,0,0,0,0,0|1,0,1]=4 859 B5R0.5 C[C@@H](N)C(=O)O MCULE-9756365751 [2,0,0,0,0,0|1,0,1]=4 860 B5R0.5 C[C@@H](O)C(=O)N MCULE-2026557726 [2,0,0,0,0,0|1,0,1]=4 861 B5R0.5 C[C@@H](O)C(=O)N MCULE-8056291801 [2,0,0,0,0,0|1,0,1]=4 862 B5R0.5 C[C@@H](O)C(=O)O MCULE-4625208788 [2,0,0,0,0,0|0,0,1]=3 863 B5R0.5 C[C@@H](O)C(=O)O MCULE-9141235095 [2,0,0,0,0,0|0,0,1]=3 864 B5R0.5 C[C@@H](O)C(=O)[O-] MCULE-5673591667 [2,0,0,0,0,0|0,0,2]=4 865 B5R0.5 C[C@@H](O)C(=O)[O-] MCULE-8146434340 [2,0,0,0,0,0|0,0,2]=4 866 B5R0.5 C[C@@H](O)C(=O)[O-] MCULE-9026662277 [2,0,0,0,0,0|0,0,2]=4 867 B5R0.5 C[C@H](Br)C(=O)O MCULE-4788730445 [2,0,0,0,0,0|1,0,1]=4 868 B5R0.5 C[C@H](Br)C(=O)O MCULE-9354978281 [2,0,0,0,0,0|1,0,1]=4 869 B5R0.5 C[C@H](Cl)C(=O)O MCULE-4816831649 [2,0,0,0,0,0|1,0,1]=4 870 B5R0.5 C[C@H](Cl)C(=O)O MCULE-8389122613 [2,0,0,0,0,0|1,0,1]=4 871 B5R0.5 C[C@H](N)C(=O)O MCULE-4916719758 [2,0,0,0,0,0|1,0,1]=4 872 B5R0.5 C[C@H](N)C(=O)O MCULE-5261590548 [2,0,0,0,0,0|1,0,1]=4 873 B5R0.5 C[C@H](N)C(=O)O MCULE-7791919887 [2,0,0,0,0,0|1,0,1]=4 874 B5R0.5 C[C@H](N)C(=O)O MCULE-8724854497 [2,0,0,0,0,0|1,0,1]=4 875 B5R0.5 C[C@H](O)C(=O)N MCULE-8400190365 [2,0,0,0,0,0|1,0,1]=4 876 B5R0.5 C[C@H](O)C(=O)O MCULE-5695391344 [2,0,0,0,0,0|0,0,1]=3 877 B5R0.5 C[C@H](O)C(=O)O MCULE-8864689875 [2,0,0,0,0,0|0,0,1]=3 878 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-1034285072 [2,0,0,0,0,0|0,0,2]=4 879 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-3598405830 [2,0,0,0,0,0|0,0,2]=4 880 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-7525689298 [2,0,0,0,0,0|0,0,2]=4 881 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-8057429776 [2,0,0,0,0,0|0,0,2]=4 882 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-8729310894 [2,0,0,0,0,0|0,0,2]=4 883 B5R0.5 NC(=O)C(=O)O MCULE-4442165428 [2,0,0,0,0,0|1,0,1]=4 884 B5R0.5 NC(O)C(=O)O MCULE-6546070388 [2,0,0,0,0,0|1,0,0]=3 885 B5R0.5 O=C(O)C(=O)O MCULE-2859436444 [2,0,0,0,0,0|0,0,1]=3 886 B5R0.5 O=C(O)C(=O)O MCULE-3054574273 [2,0,0,0,0,0|0,0,1]=3 887 B5R0.5 O=C(O)C(=O)O MCULE-4285591204 [2,0,0,0,0,0|0,0,1]=3 888 B5R0.5 O=C(O)C(=O)O MCULE-4461843798 [2,0,0,0,0,0|0,0,1]=3 889 B5R0.5 O=C(O)C(=O)O MCULE-6031758101 [2,0,0,0,0,0|0,0,1]=3 890 B5R0.5 O=C(O)C(=O)O MCULE-6647815245 [2,0,0,0,0,0|0,0,1]=3 891 B5R0.5 O=C(O)C(=O)O MCULE-7895971003 [2,0,0,0,0,0|0,0,1]=3 892 B5R0.5 O=C(O)C(=O)O MCULE-8046063377 [2,0,0,0,0,0|0,0,1]=3 893 B5R0.5 O=C(O)C(=O)O MCULE-8198551041 [2,0,0,0,0,0|0,0,1]=3 894 B5R0.5 O=C(O)C(=O)O MCULE-8472527874 [2,0,0,0,0,0|0,0,1]=3 895 B5R0.5 O=C(O)C(=O)O MCULE-9701145416 [2,0,0,0,0,0|0,0,1]=3 896 B5R0.5 O=C(O)C(Br)Br MCULE-4908900588 [2,0,0,0,0,0|2,0,0]=4 897 B5R0.5 O=C(O)C(Cl)Br MCULE-4569127340 [2,0,0,0,0,0|2,0,0]=4 898 B5R0.5 O=C(O)C(Cl)Cl MCULE-1246638159 [2,0,0,0,0,0|2,0,0]=4 899 B5R0.5 O=C(O)C(F)Br MCULE-5639771935 [2,0,0,0,0,0|2,0,0]=4 900 B5R0.5 O=C(O)C(F)Cl MCULE-8791727704 [2,0,0,0,0,0|2,0,0]=4 901 B5R0.5 O=C(O)C(F)F MCULE-9791449975 [2,0,0,0,0,0|2,0,0]=4 902 B5R0.5 O=C(O)C(F)I MCULE-2596137309 [2,0,0,0,0,0|2,0,0]=4 903 B5R0.5 O=C(O)C(O)O MCULE-8045135900 [2,0,0,0,0,0|0,0,0]=2 904 B5R0.5 O=C(O)[C@@H](F)Cl MCULE-9934674808 [2,0,0,0,0,0|2,0,0]=4 905 B5R0.5 O=C(O)[C@H](F)Cl MCULE-8184552815 [2,0,0,0,0,0|2,0,0]=4 906 B5R0.5 [C@@H](C)(O)C(=O)N MCULE-6953360641 [2,0,0,0,0,0|1,0,1]=4 907 B7R0.2 C(O)(CN)CC(=O)O MCULE-8378388788 [1,1,0,0,0,0|1,0,1]=4 908 B7R0.2 C=CC(O)CC(=O)O MCULE-2383393271 [1,1,0,0,0,0|1,0,1]=4 909 B7R0.2 CC(=CC(=O)O)C=O MCULE-7652207149 [1,1,0,0,0,0|1,0,1]=4 910 B7R0.2 CCC(=O)CC(=O)C MCULE-1892470405 [1,1,0,0,0,0|2,0,0]=4 911 B7R0.2 CCC(=O)CC(=O)O MCULE-1083768149 [1,1,0,0,0,0|1,0,0]=3 912 B7R0.2 CCC(O)CC(=O)O MCULE-4663578527 [1,1,0,0,0,0|1,0,1]=4 913 B7R0.2 CCS(=O)CC(=O)O MCULE-5648298475 [1,1,0,0,0,0|2,0,0]=4 914 B7R0.2 CN(C=O)CC(=O)O MCULE-2679649056 [1,1,0,0,0,0|2,0,0]=4 915 B7R0.2 CN(CC(=O)O)N=O MCULE-5473244336 [1,1,0,0,0,0|2,0,0]=4 916 B7R0.2 CNC(=O)CC(=O)C MCULE-4316009681 [1,1,0,0,0,0|2,0,0]=4 917 B7R0.2 CNC(=O)CC(=O)O MCULE-3506871336 [1,1,0,0,0,0|1,0,0]=3 918 B7R0.2 CO/C(=C/C(=O)O)/C MCULE-5031076713 [1,1,0,0,0,0|1,0,1]=4 919 B7R0.2 COC(=CC(=O)O)C MCULE-2215306459 [1,1,0,0,0,0|1,0,1]=4 920 B7R0.2 COC(=O)CC(=N)N MCULE-3622266378 [1,1,0,0,0,0|2,0,0]=4 921 B7R0.2 COC(=O)CC(=N)N MCULE-8717458518 [1,1,0,0,0,0|2,0,0]=4 922 B7R0.2 COC(=O)CC(=O)C MCULE-1265364784 [1,1,0,0,0,0|1,0,0]=3 923 B7R0.2 COC(=O)CC(=O)Cl MCULE-5016603273 [1,1,0,0,0,0|1,0,0]=3 924 B7R0.2 COC(=O)CC(=O)N MCULE-7129379910 [1,1,0,0,0,0|1,0,0]=3 925 B7R0.2 COC(=O)CC(=O)O MCULE-7983457925 [1,1,0,0,0,0|0,0,0]=2 926 B7R0.2 COC(=O)CC(=O)[O-] MCULE-4316322156 [1,1,0,0,0,0|0,0,1]=3 927 B7R0.2 COC(=O)CC(=S)N MCULE-3325362226 [1,1,0,0,0,0|1,1,0]=4 928 B7R0.2 COC(=O)CC(C)O MCULE-7542131760 [1,1,0,0,0,0|1,0,1]=4 929 B7R0.2 COC(=O)CC(C)O MCULE-7559608260 [1,1,0,0,0,0|1,0,1]=4 930 B7R0.2 COC(=O)CN(=O)=O MCULE-9778666398 [1,1,0,0,0,0|1,0,1]=4 931 B7R0.2 COC(=O)CS(=O)C MCULE-6286293391 [1,1,0,0,0,0|2,0,0]=4 932 B7R0.2 COC(=O)C[C@@H](C)O MCULE-1647366037 [1,1,0,0,0,0|1,0,1]=4 933 B7R0.2 COC(=O)C[C@@H](C)O MCULE-7832771936 [1,1,0,0,0,0|1,0,1]=4 934 B7R0.2 COC(=O)C[C@H](C)O MCULE-5154734951 [1,1,0,0,0,0|1,0,1]=4 935 B7R0.2 COC(=O)C[C@H](C)O MCULE-7031738180 [1,1,0,0,0,0|1,0,1]=4 936 B7R0.2 COC(C)CC(=O)O MCULE-7063015720 [1,1,0,0,0,0|1,0,1]=4 937 B7R0.2 N/C(=N/O)/CC(=O)O MCULE-5236282846 [1,1,0,0,0,0|1,0,0]=3 938 B7R0.2 NC(=O)C/C(=N\O)/N MCULE-7090967368 [1,1,0,0,0,0|2,0,0]=4 939 B7R0.2 NC(CO)CC(=O)O MCULE-4749383822 [1,1,0,0,0,0|1,0,1]=4 940 B7R0.2 NC(CO)CC(=O)O MCULE-7973334774 [1,1,0,0,0,0|1,0,1]=4 941 B7R0.2 NC(CO)CC(=O)O MCULE-8406665261 [1,1,0,0,0,0|1,0,1]=4 942 B7R0.2 NCC(O)CC(=O)O MCULE-9221352157 [1,1,0,0,0,0|1,0,1]=4 943 B7R0.2 NC[C@@H](O)CC(=O)O MCULE-2174350055 [1,1,0,0,0,0|1,0,1]=4 944 B7R0.2 NC[C@@H](O)CC(=O)O MCULE-8177708130 [1,1,0,0,0,0|1,0,1]=4 945 B7R0.2 NC[C@H](O)CC(=O)O MCULE-6634973995 [1,1,0,0,0,0|1,0,1]=4 946 B7R0.2 NC[C@H](O)CC(=O)O MCULE-8055679819 [1,1,0,0,0,0|1,0,1]=4 947 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-1773927420 [1,1,0,0,0,0|1,0,1]=4 948 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-2797951743 [1,1,0,0,0,0|1,0,1]=4 949 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-3839766977 [1,1,0,0,0,0|1,0,1]=4 950 B7R0.2 N[C@H](CO)CC(=O)O MCULE-4130106630 [1,1,0,0,0,0|1,0,1]=4 951 B7R0.2 O=C(Br)CC(=O)CBr MCULE-5776576043 [1,1,0,0,0,0|2,0,0]=4 952 B7R0.2 O=C(Cl)CC(=O)CCl MCULE-6416318811 [1,1,0,0,0,0|2,0,0]=4 953 B7R0.2 O=C(O)CC(=O)CCl MCULE-9671015150 [1,1,0,0,0,0|1,0,0]=3 954 B7R0.2 O=C(O)CC(=O)CO MCULE-2224143705 [1,1,0,0,0,0|0,0,0]=2 955 B7R0.2 O=C(O)CC(O)CO MCULE-2851149196 [1,1,0,0,0,0|0,0,2]=4 956 B7R0.2 O=C(O)C[C@H](O)CO MCULE-5671818548 [1,1,0,0,0,0|0,0,2]=4 957 B7R0.2 O=CN(O)CC(=O)O MCULE-7408790227 [1,1,0,0,0,0|1,0,0]=3 958 B7R0.9 CC(C)(O)CC(=O)O MCULE-3649642958 [1,1,0,0,0,0|1,0,1]=4 959 B7R0.9 CS(=O)(=O)CC(=O)O MCULE-1982886035 [1,1,0,0,0,0|1,0,1]=4 960 B7R0.9 NS(=O)(=O)CC(=O)O MCULE-1039009855 [1,1,0,0,0,0|1,0,1]=4 961 B7R0.9 O=C(O)CP(=O)(O)O MCULE-7055994360 [1,1,0,0,0,0|1,0,0]=3 962 B7R0.9 O=C(O)CS(=O)(=O)O MCULE-4846153382 [1,1,0,0,0,0|1,0,0]=3 963 B7R0.5 C#CCC(O)C(=O)O MCULE-4988425198 [1,1,0,0,0,0|1,0,1]=4 964 B7R0.5 C=C=CC(C)C(=O)O MCULE-3438905862 [1,1,0,0,0,0|2,0,0]=4 965 B7R0.5 C=CCC(C)C(=O)O MCULE-2912410432 [1,1,0,0,0,0|2,0,0]=4 966 B7R0.5 C=CCC(N)C(=O)O MCULE-1550468430 [1,1,0,0,0,0|2,0,0]=4 967 B7R0.5 C=CCC(N)C(=O)O MCULE-1783682768 [1,1,0,0,0,0|2,0,0]=4 968 B7R0.5 C=CCC(N)C(=O)O MCULE-8721864064 [1,1,0,0,0,0|2,0,0]=4 969 B7R0.5 C=CCC(N)C(=O)O MCULE-9091562338 [1,1,0,0,0,0|2,0,0]=4 970 B7R0.5 C=CCC(O)C(=O)O MCULE-6418899544 [1,1,0,0,0,0|1,0,0]=3 971 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-3817126030 [1,1,0,0,0,0|2,0,0]=4 972 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-5479618260 [1,1,0,0,0,0|2,0,0]=4 973 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-6719393730 [1,1,0,0,0,0|2,0,0]=4 974 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-7577627870 [1,1,0,0,0,0|2,0,0]=4 975 B7R0.5 C=CC[C@@H](O)C(=O)O MCULE-4103471826 [1,1,0,0,0,0|1,0,0]=3 976 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-2073484196 [1,1,0,0,0,0|2,0,0]=4 977 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-3267648941 [1,1,0,0,0,0|2,0,0]=4 978 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-4183531139 [1,1,0,0,0,0|2,0,0]=4 979 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-8225762047 [1,1,0,0,0,0|2,0,0]=4 980 B7R0.5 C=CC[C@H](O)C(=O)O MCULE-8230827617 [1,1,0,0,0,0|1,0,0]=3 981 B7R0.5 CC(CCO)C(=O)O MCULE-9724304469 [1,1,0,0,0,0|1,0,1]=4 982 B7R0.5 CC(NC=O)C(=O)O MCULE-7277951464 [1,1,0,0,0,0|1,0,0]=3 983 B7R0.5 CC=CC(C)C(=O)O MCULE-5584906296 [1,1,0,0,0,0|2,0,0]=4 984 B7R0.5 CC=CC(O)C(=O)O MCULE-5249095255 [1,1,0,0,0,0|1,0,0]=3 985 B7R0.5 CCCC(O)C(=O)O MCULE-8533446195 [1,1,0,0,0,0|1,0,1]=4 986 B7R0.5 CCCC(O)C(=O)O MCULE-9586449213 [1,1,0,0,0,0|1,0,1]=4 987 B7R0.5 CCC[C@@H](O)C(=O)O MCULE-2742119346 [1,1,0,0,0,0|1,0,1]=4 988 B7R0.5 CCC[C@H](O)C(=O)O MCULE-6533548138 [1,1,0,0,0,0|1,0,1]=4 989 B7R0.5 CCC[C@H](O)C(=O)O MCULE-8321722254 [1,1,0,0,0,0|1,0,1]=4 990 B7R0.5 COCC(Br)C(=O)O MCULE-2977381282 [1,1,0,0,0,0|1,0,1]=4 991 B7R0.5 COCC(C)C(=O)O MCULE-9776415948 [1,1,0,0,0,0|1,0,1]=4 992 B7R0.5 COCC(Cl)C(=O)O MCULE-1439107016 [1,1,0,0,0,0|1,0,1]=4 993 B7R0.5 COCC(N)C(=O)O MCULE-4336440568 [1,1,0,0,0,0|1,0,1]=4 994 B7R0.5 COCC(N)C(=O)O MCULE-4899043582 [1,1,0,0,0,0|1,0,1]=4 995 B7R0.5 COCC(N)C(=O)O MCULE-6964823693 [1,1,0,0,0,0|1,0,1]=4 996 B7R0.5 COCC(N)C(=O)O MCULE-7037870255 [1,1,0,0,0,0|1,0,1]=4 997 B7R0.5 COCC(O)C(=O)O MCULE-3185498869 [1,1,0,0,0,0|0,0,1]=3 998 B7R0.5 COC[C@@H](N)C(=O)O MCULE-1827086666 [1,1,0,0,0,0|1,0,1]=4 999 B7R0.5 COC[C@@H](N)C(=O)O MCULE-4868456769 [1,1,0,0,0,0|1,0,1]=4 1000 B7R0.5 COC[C@@H](N)C(=O)O MCULE-5275247485 [1,1,0,0,0,0|1,0,1]=4 1001 B7R0.5 COC[C@@H](N)C(=O)O MCULE-7339751251 [1,1,0,0,0,0|1,0,1]=4 1002 B7R0.5 COC[C@H](N)C(=O)O MCULE-3719679803 [1,1,0,0,0,0|1,0,1]=4 1003 B7R0.5 COC[C@H](N)C(=O)O MCULE-4874807874 [1,1,0,0,0,0|1,0,1]=4 1004 B7R0.5 COC[C@H](N)C(=O)O MCULE-5303156917 [1,1,0,0,0,0|1,0,1]=4 1005 B7R0.5 COC[C@H](N)C(=O)O MCULE-8138564560 [1,1,0,0,0,0|1,0,1]=4 1006 B7R0.5 C[C@H](NC=O)C(=O)O MCULE-3824082361 [1,1,0,0,0,0|1,0,0]=3 1007 B7R0.5 C[C@H](NC=O)C(=O)O MCULE-5248110352 [1,1,0,0,0,0|1,0,0]=3 1008 B7R0.5 NC(CCO)C(=O)O MCULE-1744838687 [1,1,0,0,0,0|1,0,1]=4 1009 B7R0.5 NC(CCO)C(=O)O MCULE-9642233758 [1,1,0,0,0,0|1,0,1]=4 1010 B7R0.5 NC(CNO)C(=O)O MCULE-2332662988 [1,1,0,0,0,0|1,0,1]=4 1011 B7R0.5 NCCC(O)C(=O)O MCULE-3670080484 [1,1,0,0,0,0|1,0,1]=4 1012 B7R0.5 NCCC(O)C(=O)O MCULE-6540935279 [1,1,0,0,0,0|1,0,1]=4 1013 B7R0.5 NCC[C@@H](O)C(=O)O MCULE-9726912888 [1,1,0,0,0,0|1,0,1]=4 1014 B7R0.5 NCC[C@H](O)C(=O)O MCULE-3296998083 [1,1,0,0,0,0|1,0,1]=4 1015 B7R0.5 NCC[C@H](O)C(=O)O MCULE-7901866019 [1,1,0,0,0,0|1,0,1]=4 1016 B7R0.5 NOC[C@H](N)C(=O)O MCULE-1050292176 [1,1,0,0,0,0|1,0,1]=4 1017 B7R0.5 N[C@@H](CCO)C(=O)O MCULE-2370353784 [1,1,0,0,0,0|1,0,1]=4 1018 B7R0.5 N[C@@H](CCO)C(=O)O MCULE-4861747928 [1,1,0,0,0,0|1,0,1]=4 1019 B7R0.5 N[C@H](CCO)C(=O)O MCULE-8005652100 [1,1,0,0,0,0|1,0,1]=4 1020 B7R0.5 N[C@H](CCO)C(=O)O MCULE-8613625039 [1,1,0,0,0,0|1,0,1]=4 1021 B7R0.5 O=C(O)C(O)CCO MCULE-9096271794 [1,1,0,0,0,0|0,0,1]=3 1022 B7R0.10 C=CC(Cl)C(=O)OC MCULE-8371197919 [1,1,0,0,0,0|2,0,0]=4 1023 B7R0.10 C=CC(N)C(=O)OC MCULE-6449924585 [1,1,0,0,0,0|2,0,0]=4 1024 B7R0.10 C=CC(N)C(=O)OC MCULE-8138684326 [1,1,0,0,0,0|2,0,0]=4 1025 B7R0.10 C=CC(O)C(=O)OC MCULE-8475572887 [1,1,0,0,0,0|1,0,0]=3 1026 B7R0.10 CCC(O)C(=O)OC MCULE-8768500574 [1,1,0,0,0,0|1,0,1]=4 1027 B7R0.10 CC[C@@H](O)C(=O)OC MCULE-6916010003 [1,1,0,0,0,0|1,0,1]=4 1028 B7R0.10 CC[C@@H](O)C(=O)OC MCULE-9376722018 [1,1,0,0,0,0|1,0,1]=4 1029 B7R0.10 CC[C@H](O)C(=O)OC MCULE-5873092635 [1,1,0,0,0,0|1,0,1]=4 1030 B7R0.10 CC[C@H](O)C(=O)OC MCULE-8209874812 [1,1,0,0,0,0|1,0,1]=4 1031 B7R0.10 COC(=O)C(Br)CO MCULE-1678765423 [1,1,0,0,0,0|1,0,1]=4 1032 B7R0.10 COC(=O)C(Br)CO MCULE-8437488397 [1,1,0,0,0,0|1,0,1]=4 1033 B7R0.10 COC(=O)C(C)C=O MCULE-8461987901 [1,1,0,0,0,0|1,0,0]=3 1034 B7R0.10 COC(=O)C(C)CO MCULE-1168600238 [1,1,0,0,0,0|1,0,1]=4 1035 B7R0.10 COC(=O)C(C)CO MCULE-9207150786 [1,1,0,0,0,0|1,0,1]=4 1036 B7R0.10 COC(=O)C(Cl)C=O MCULE-1767241035 [1,1,0,0,0,0|1,0,0]=3 1037 B7R0.10 COC(=O)C(Cl)CO MCULE-9496750776 [1,1,0,0,0,0|1,0,1]=4 1038 B7R0.10 COC(=O)C(F)CO MCULE-2188518229 [1,1,0,0,0,0|1,0,1]=4 1039 B7R0.10 COC(=O)C(N)CO MCULE-1874204534 [1,1,0,0,0,0|1,0,1]=4 1040 B7R0.10 COC(=O)C(N)CO MCULE-1907797317 [1,1,0,0,0,0|1,0,1]=4 1041 B7R0.10 COC(=O)C(N)CO MCULE-3851022091 [1,1,0,0,0,0|1,0,1]=4 1042 B7R0.10 COC(=O)C(N)CO MCULE-9875856930 [1,1,0,0,0,0|1,0,1]=4 1043 B7R0.10 COC(=O)C(O)C#N MCULE-2296440580 [1,1,0,0,0,0|1,0,1]=4 1044 B7R0.10 COC(=O)C(O)CCl MCULE-1480405341 [1,1,0,0,0,0|1,0,1]=4 1045 B7R0.10 COC(=O)C(O)CN MCULE-1003241246 [1,1,0,0,0,0|1,0,1]=4 1046 B7R0.10 COC(=O)C(O)CN MCULE-9006804473 [1,1,0,0,0,0|1,0,1]=4 1047 B7R0.10 COC(=O)C(O)CO MCULE-1234820163 [1,1,0,0,0,0|0,0,1]=3 1048 B7R0.10 COC(=O)C(O)CO MCULE-2142801284 [1,1,0,0,0,0|0,0,1]=3 1049 B7R0.10 COC(=O)C(O)OC MCULE-5465190164 [1,1,0,0,0,0|2,0,0]=4 1050 B7R0.10 COC(=O)[C@@H](Br)CO MCULE-8075978888 [1,1,0,0,0,0|1,0,1]=4 1051 B7R0.10 COC(=O)[C@@H](Br)CO MCULE-8903256620 [1,1,0,0,0,0|1,0,1]=4 1052 B7R0.10 COC(=O)[C@@H](C)CO MCULE-6738074317 [1,1,0,0,0,0|1,0,1]=4 1053 B7R0.10 COC(=O)[C@@H](C)CO MCULE-9697255968 [1,1,0,0,0,0|1,0,1]=4 1054 B7R0.10 COC(=O)[C@@H](N)CO MCULE-2171593224 [1,1,0,0,0,0|1,0,1]=4 1055 B7R0.10 COC(=O)[C@@H](N)CO MCULE-3393088985 [1,1,0,0,0,0|1,0,1]=4 1056 B7R0.10 COC(=O)[C@@H](N)CO MCULE-5476910845 [1,1,0,0,0,0|1,0,1]=4 1057 B7R0.10 COC(=O)[C@@H](N)CO MCULE-9984439264 [1,1,0,0,0,0|1,0,1]=4 1058 B7R0.10 COC(=O)[C@@H](O)CN MCULE-1265508864 [1,1,0,0,0,0|1,0,1]=4 1059 B7R0.10 COC(=O)[C@@H](O)CN MCULE-2334791448 [1,1,0,0,0,0|1,0,1]=4 1060 B7R0.10 COC(=O)[C@@H](O)CN MCULE-6207278824 [1,1,0,0,0,0|1,0,1]=4 1061 B7R0.10 COC(=O)[C@@H](O)CN MCULE-6634004594 [1,1,0,0,0,0|1,0,1]=4 1062 B7R0.10 COC(=O)[C@@H](O)CO MCULE-3655137528 [1,1,0,0,0,0|0,0,1]=3 1063 B7R0.10 COC(=O)[C@@H](O)CO MCULE-5801355812 [1,1,0,0,0,0|0,0,1]=3 1064 B7R0.10 COC(=O)[C@H](Br)CO MCULE-8230787734 [1,1,0,0,0,0|1,0,1]=4 1065 B7R0.10 COC(=O)[C@H](C)C=O MCULE-9841785503 [1,1,0,0,0,0|1,0,0]=3 1066 B7R0.10 COC(=O)[C@H](C)CO MCULE-5719676432 [1,1,0,0,0,0|1,0,1]=4 1067 B7R0.10 COC(=O)[C@H](C)CO MCULE-8479546806 [1,1,0,0,0,0|1,0,1]=4 1068 B7R0.10 COC(=O)[C@H](N)CO MCULE-4463451892 [1,1,0,0,0,0|1,0,1]=4 1069 B7R0.10 COC(=O)[C@H](N)CO MCULE-5622938569 [1,1,0,0,0,0|1,0,1]=4 1070 B7R0.10 COC(=O)[C@H](N)CO MCULE-6021580541 [1,1,0,0,0,0|1,0,1]=4 1071 B7R0.10 COC(=O)[C@H](N)CO MCULE-8237708167 [1,1,0,0,0,0|1,0,1]=4 1072 B7R0.10 COC(=O)[C@H](O)CN MCULE-5902729244 [1,1,0,0,0,0|1,0,1]=4 1073 B7R0.10 COC(=O)[C@H](O)CN MCULE-9252373981 [1,1,0,0,0,0|1,0,1]=4 1074 B7R0.10 COC(=O)[C@H](O)CO MCULE-4219956218 [1,1,0,0,0,0|0,0,1]=3 1075 B7R0.10 COC(=O)[C@H](O)CO MCULE-8891571940 [1,1,0,0,0,0|0,0,1]=3 1076 B7R0.10 O=C(CO)C(O)CO MCULE-9818197491 [1,1,0,0,0,0|0,0,1]=3 1077 B7R0.10 O=C(CO)[C@@H](O)CO MCULE-8306776225 [1,1,0,0,0,0|0,0,1]=3 1078 B7R0.10 O=C(CO)[C@@H](O)CO MCULE-8666498937 [1,1,0,0,0,0|0,0,1]=3 1079 B7R0.10 O=C(CO)[C@H](O)CO MCULE-7828531161 [1,1,0,0,0,0|0,0,1]=3 1080 B7R0.10 O=CC(O)C(O)C=O MCULE-3439629952 [1,1,0,0,0,0|0,0,1]=3 1081 B7R0.10 O=CC(O)C(O)CO MCULE-9564469242 [1,1,0,0,0,0|0,0,2]=4 1082 B7R0.10 O=C[C@@H](O)[C@@H](O)CO MCULE-3532911413 [1,1,0,0,0,0|0,0,2]=4 1083 B7R0.10 O=C[C@@H](O)[C@@H](O)CO MCULE-5707669784 [1,1,0,0,0,0|0,0,2]=4 1084 B7R0.10 O=C[C@@H](O)[C@H](O)CO MCULE-4902023669 [1,1,0,0,0,0|0,0,2]=4 1085 B7R0.10 O=C[C@H](O)[C@@H](O)CO MCULE-5975565699 [1,1,0,0,0,0|0,0,2]=4 1086 B7R0.10 O=C[C@H](O)[C@H](O)CO MCULE-3036594515 [1,1,0,0,0,0|0,0,2]=4 1087 B7R0.10 O=C[C@H](O)[C@H](O)CO MCULE-5412566780 [1,1,0,0,0,0|0,0,2]=4 1088 B7R0.13 C=CC(C)(C)C(=O)O MCULE-4029204507 [1,1,0,0,0,0|2,0,0]=4 1089 B7R0.13 C=CC(C)(O)C(=O)O MCULE-2362688567 [1,1,0,0,0,0|1,0,0]=3 1090 B7R0.13 C=C[C@@](C)(N)C(=O)O MCULE-4703482436 [1,1,0,0,0,0|2,0,0]=4 1091 B7R0.13 CC(C)(CO)C(=O)O MCULE-8700273400 [1,1,0,0,0,0|1,0,1]=4 1092 B7R0.13 CC(N)(CO)C(=O)O MCULE-5973815630 [1,1,0,0,0,0|1,0,1]=4 1093 B7R0.13 CC(N)(CO)C(=O)O MCULE-6877149014 [1,1,0,0,0,0|1,0,1]=4 1094 B7R0.13 CC(O)(CBr)C(=O)O MCULE-4224343890 [1,1,0,0,0,0|1,0,1]=4 1095 B7R0.13 CC(O)(CBr)C(=O)O MCULE-5597565903 [1,1,0,0,0,0|1,0,1]=4 1096 B7R0.13 CC(O)(CO)C(=O)O MCULE-5566145169 [1,1,0,0,0,0|0,0,1]=3 1097 B7R0.13 CCC(C)(O)C(=O)O MCULE-1193062860 [1,1,0,0,0,0|1,0,1]=4 1098 B7R0.13 CC[C@](C)(O)C(=O)O MCULE-3871181536 [1,1,0,0,0,0|1,0,1]=4 1099 B7R0.13 C[C@@](N)(CO)C(=O)O MCULE-2146963065 [1,1,0,0,0,0|1,0,1]=4 1100 B7R0.13 C[C@@](N)(CO)C(=O)O MCULE-7622447669 [1,1,0,0,0,0|1,0,1]=4 1101 B7R0.13 C[C@@](O)(CBr)C(=O)O MCULE-2382162129 [1,1,0,0,0,0|1,0,1]=4 1102 B7R0.13 C[C@@](O)(CBr)C(=O)O MCULE-7944927738 [1,1,0,0,0,0|1,0,1]=4 1103 B7R0.13 C[C@](N)(CO)C(=O)O MCULE-2760852916 [1,1,0,0,0,0|1,0,1]=4 1104 B7R0.13 C[C@](N)(CO)C(=O)O MCULE-4734633152 [1,1,0,0,0,0|1,0,1]=4 1105 B7R0.13 C[C@](O)(CBr)C(=O)O MCULE-1143505996 [1,1,0,0,0,0|1,0,1]=4 1106 B7R0.13 C[C@](O)(CBr)C(=O)O MCULE-7898456152 [1,1,0,0,0,0|1,0,1]=4 1107 B7R0.13 O=C(O)C(F)(F)CO MCULE-4913704401 [1,1,0,0,0,0|1,0,1]=4 1108 B7R0.15 C#CC(OC)C(=O)O MCULE-9292798546 [1,1,0,0,0,0|1,0,1]=4 1109 B7R0.15 CC(=O)C(CO)CO MCULE-6408384667 [1,1,0,0,0,0|1,0,1]=4 1110 B7R0.15 CCC(CO)C(=O)O MCULE-9435802738 [1,1,0,0,0,0|1,0,1]=4 1111 B7R0.15 CCC(NO)C(=O)O MCULE-1962461048 [1,1,0,0,0,0|1,0,1]=4 1112 B7R0.15 CCC(OC)C(=O)O MCULE-2475290794 [1,1,0,0,0,0|1,0,1]=4 1113 B7R0.15 CC[C@H](CO)C(=O)O MCULE-3017159819 [1,1,0,0,0,0|1,0,1]=4 1114 B7R0.15 CNC(CO)C(=O)O MCULE-1439435474 [1,1,0,0,0,0|1,0,1]=4 1115 B7R0.15 CNC(CO)C(=O)O MCULE-7611211207 [1,1,0,0,0,0|1,0,1]=4 1116 B7R0.15 CN[C@@H](CO)C(=O)O MCULE-3320307572 [1,1,0,0,0,0|1,0,1]=4 1117 B7R0.15 CN[C@@H](CO)C(=O)O MCULE-5844994620 [1,1,0,0,0,0|1,0,1]=4 1118 B7R0.15 CN[C@@H](CO)C(=O)O MCULE-6293854138 [1,1,0,0,0,0|1,0,1]=4 1119 B7R0.15 CN[C@@H](CO)C(=O)O MCULE-6463850730 [1,1,0,0,0,0|1,0,1]=4 1120 B7R0.15 CN[C@H](CO)C(=O)O MCULE-1791141182 [1,1,0,0,0,0|1,0,1]=4 1121 B7R0.15 CN[C@H](CO)C(=O)O MCULE-9346314213 [1,1,0,0,0,0|1,0,1]=4 1122 B7R0.15 COC(CBr)C(=O)O MCULE-5528365617 [1,1,0,0,0,0|1,0,1]=4 1123 B7R0.15 COC(CN)C(=O)O MCULE-1561937449 [1,1,0,0,0,0|1,0,1]=4 1124 B7R0.15 COC(CN)C(=O)O MCULE-7501291426 [1,1,0,0,0,0|1,0,1]=4 1125 B7R0.15 COC(OC)C(=O)O MCULE-3341727181 [1,1,0,0,0,0|2,0,0]=4 1126 B7R0.15 CO[C@@H](CN)C(=O)O MCULE-5536624827 [1,1,0,0,0,0|1,0,1]=4 1127 B7R0.15 CO[C@@H](CN)C(=O)O MCULE-6198841067 [1,1,0,0,0,0|1,0,1]=4 1128 B7R0.15 NCC(CO)C(=O)O MCULE-5510878508 [1,1,0,0,0,0|1,0,1]=4 1129 B7R0.15 NCC(CO)C(=O)O MCULE-9991285445 [1,1,0,0,0,0|1,0,1]=4 1130 B7R0.15 NC[C@@H](CO)C(=O)O MCULE-4607648703 [1,1,0,0,0,0|1,0,1]=4 1131 B7R0.15 NC[C@@H](CO)C(=O)O MCULE-8943978569 [1,1,0,0,0,0|1,0,1]=4 1132 B7R0.15 NC[C@H](CO)C(=O)O MCULE-8459713640 [1,1,0,0,0,0|1,0,1]=4 1133 B7R0.15 O=C(O)[C@H](CO)NP MCULE-8418001133 [1,1,0,0,0,0|1,0,1]=4 1134 B9R0.11 CC(=O)C(C)(C)CC(=O)O MCULE-3797968347 [0,1,0,0,0,1|2,0,0]=4 1135 B9R0.11 CC(=O)CC(C)(C)C(=O)O MCULE-3548808704 [0,1,0,0,0,1|2,0,0]=4 1136 B9R0.11 CC(=O)NC(C)(C)C(=O)O MCULE-7910205661 [0,1,0,0,0,1|2,0,0]=4 1137 B9R0.11 CC(=O)OC(C)(C)C(=O)O MCULE-7786541244 [0,1,0,0,0,1|2,0,0]=4 1138 B9R0.11 CC(C)(CC(=O)O)C(=O)O MCULE-7005043054 [0,1,0,0,0,1|1,0,0]=3 1139 B9R0.11 CC(C)(NC(=O)N)C(=O)O MCULE-3780805662 [0,1,0,0,0,1|2,0,0]=4 1140 B9R0.11 CC(F)(NC(=O)N)C(=O)O MCULE-5893224532 [0,1,0,0,0,1|2,0,0]=4 1141 B9R0.11 CC(N)(CC(=O)O)C(=O)O MCULE-3390093551 [0,1,0,0,0,1|1,0,0]=3 1142 B9R0.11 CC(N)(CC(=O)O)C(=O)O MCULE-4137717341 [0,1,0,0,0,1|1,0,0]=3 1143 B9R0.11 CC(O)(CC(=O)O)C(=O)O MCULE-8670926890 [0,1,0,0,0,1|0,0,0]=2 1144 B9R0.11 C[C@@](N)(CC(=O)O)C(=O)O MCULE-5803003392 [0,1,0,0,0,1|1,0,0]=3 1145 B9R0.11 C[C@@](N)(CC(=O)O)C(=O)O MCULE-7987571569 [0,1,0,0,0,1|1,0,0]=3 1146 B9R0.11 C[C@](N)(CC(=O)N)C(=O)O MCULE-5803295303 [0,1,0,0,0,1|2,0,0]=4 1147 B9R0.11 C[C@](N)(CC(=O)N)C(=O)O MCULE-9662132548 [0,1,0,0,0,1|2,0,0]=4 1148 B9R0.11 C[C@](N)(CC(=O)O)C(=O)O MCULE-4314292616 [0,1,0,0,0,1|1,0,0]=3 1149 B9R0.11 C[C@](O)(CC(=O)O)C(=O)O MCULE-1934088864 [0,1,0,0,0,1|0,0,0]=2 1150 B9R0.11 O=C(O)CC(F)(F)C(=O)O MCULE-7706048377 [0,1,0,0,0,1|1,0,0]=3 1151 B9R0.11 O=C(O)CC(S)(S)C(=O)O MCULE-7344489814 [0,1,0,0,0,1|0,1,0]=3 1152 B9R0.23 C(N)(CC(=O)O)C(=O)OC MCULE-3786901582 [0,1,0,0,0,1|1,0,0]=3 1153 B9R0.23 C=C(CC(=O)O)C(=O)OC MCULE-6964816559 [0,1,0,0,0,1|1,0,1]=4 1154 B9R0.23 COC(=O)/C(=C/C(=O)O)/Br MCULE-9236300450 [0,1,0,0,0,1|1,0,1]=4 1155 B9R0.23 COC(=O)C(=CC(=O)C)O MCULE-4086335030 [0,1,0,0,0,1|1,0,1]=4 1156 B9R0.23 COC(=O)C(=CC(=O)O)Br MCULE-7067392588 [0,1,0,0,0,1|1,0,1]=4 1157 B9R0.23 COC(=O)C(C)CC(=O)C MCULE-2131243248 [0,1,0,0,0,1|2,0,0]=4 1158 B9R0.23 COC(=O)C(C)CC(=O)O MCULE-5268313344 [0,1,0,0,0,1|1,0,0]=3 1159 B9R0.23 COC(=O)C(C)NC(=O)C MCULE-7499205437 [0,1,0,0,0,1|2,0,0]=4 1160 B9R0.23 COC(=O)C(C)NC(=O)C MCULE-9931125485 [0,1,0,0,0,1|2,0,0]=4 1161 B9R0.23 COC(=O)C(C)OC(=O)C MCULE-7908136641 [0,1,0,0,0,1|2,0,0]=4 1162 B9R0.23 COC(=O)C(N)CC(=O)N MCULE-1752536252 [0,1,0,0,0,1|2,0,0]=4 1163 B9R0.23 COC(=O)C(N)CC(=O)N MCULE-5054924778 [0,1,0,0,0,1|2,0,0]=4 1164 B9R0.23 COC(=O)C(N)CC(=O)O MCULE-7519781259 [0,1,0,0,0,1|1,0,0]=3 1165 B9R0.23 COC(=O)N(C)CC(=O)O MCULE-6066208018 [0,1,0,0,0,1|2,0,0]=4 1166 B9R0.23 COC(=O)[C@@H](C)CC(=O)O MCULE-8145746541 [0,1,0,0,0,1|1,0,0]=3 1167 B9R0.23 COC(=O)[C@@H](C)NC(=O)C MCULE-3683972950 [0,1,0,0,0,1|2,0,0]=4 1168 B9R0.23 COC(=O)[C@@H](C)NC(=O)C MCULE-9078107491 [0,1,0,0,0,1|2,0,0]=4 1169 B9R0.23 COC(=O)[C@@H](N)CC(=O)N MCULE-2903193624 [0,1,0,0,0,1|2,0,0]=4 1170 B9R0.23 COC(=O)[C@@H](N)CC(=O)N MCULE-3686406545 [0,1,0,0,0,1|2,0,0]=4 1171 B9R0.23 COC(=O)[C@@H](N)CC(=O)N MCULE-3726434187 [0,1,0,0,0,1|2,0,0]=4 1172 B9R0.23 COC(=O)[C@@H](N)CC(=O)N MCULE-9719605200 [0,1,0,0,0,1|2,0,0]=4 1173 B9R0.23 COC(=O)[C@@H](N)CC(=O)O MCULE-2094999701 [0,1,0,0,0,1|1,0,0]=3 1174 B9R0.23 COC(=O)[C@@H](N)CC(=O)O MCULE-9407721038 [0,1,0,0,0,1|1,0,0]=3 1175 B9R0.23 COC(=O)[C@@H](O)CC(=O)O MCULE-4149383309 [0,1,0,0,0,1|0,0,0]=2 1176 B9R0.23 COC(=O)[C@@H](O)CC(=O)O MCULE-4834047702 [0,1,0,0,0,1|0,0,0]=2 1177 B9R0.23 COC(=O)[C@H](C)NC(=O)C MCULE-9272877417 [0,1,0,0,0,1|2,0,0]=4 1178 B9R0.23 COC(=O)[C@H](C)NC(=O)C MCULE-9675191541 [0,1,0,0,0,1|2,0,0]=4 1179 B9R0.23 COC(=O)[C@H](C)OC(=O)C MCULE-7231856462 [0,1,0,0,0,1|2,0,0]=4 1180 B9R0.23 COC(=O)[C@H](C)OC(=O)C MCULE-9967813219 [0,1,0,0,0,1|2,0,0]=4 1181 B9R0.23 COC(=O)[C@H](N)CC(=O)N MCULE-3007207072 [0,1,0,0,0,1|2,0,0]=4 1182 B9R0.23 COC(=O)[C@H](N)CC(=O)N MCULE-3103219361 [0,1,0,0,0,1|2,0,0]=4 1183 B9R0.23 COC(=O)[C@H](N)CC(=O)N MCULE-6097450650 [0,1,0,0,0,1|2,0,0]=4 1184 B9R0.23 COC(=O)[C@H](N)CC(=O)N MCULE-7427879831 [0,1,0,0,0,1|2,0,0]=4 1185 B9R0.23 COC(=O)[C@H](N)CC(=O)O MCULE-1453787543 [0,1,0,0,0,1|1,0,0]=3 1186 B9R0.23 COC(=O)[C@H](N)CC(=O)O MCULE-8348108837 [0,1,0,0,0,1|1,0,0]=3 1187 B9R0.23 COC(=O)[C@H](N)CC(=O)O MCULE-8725707708 [0,1,0,0,0,1|1,0,0]=3 1188 B9R0.23 COC(=O)[C@H](O)CC(=O)O MCULE-2124989741 [0,1,0,0,0,1|0,0,0]=2 1189 B9R0.23 COC(=O)[C@H](O)CC(=O)O MCULE-9803650256 [0,1,0,0,0,1|0,0,0]=2 1190 B9R0.23 O=C(O)CC(Br)C(=O)CBr MCULE-5319460867 [0,1,0,0,0,1|2,0,0]=4 1191 B9R0.23 O=C(O)C[C@@H](O)[C@@H](O)CO MCULE-5394522095 [0,1,0,0,0,1|0,0,2]=4 1192 B9R0.23 O=C(O)C[C@H](O)[C@H](O)CO MCULE-2704229472 [0,1,0,0,0,1|0,0,2]=4 1193 B9R0.23 [C@H](N)(CC(=O)O)C(=O)OC MCULE-3013306674 [0,1,0,0,0,1|1,0,0]=3 1194 B9R0.39 CC(=O)NC(CO)C(=O)O MCULE-1309560741 [0,1,0,0,0,1|1,0,0]=3 1195 B9R0.39 CC(=O)NC(CS)C(=O)O MCULE-6378320219 [0,1,0,0,0,1|1,1,0]=4 1196 B9R0.39 CC(=O)NC(CS)C(=O)O MCULE-8740981134 [0,1,0,0,0,1|1,1,0]=4 1197 B9R0.39 CC(=O)N[C@@H](CO)C(=O)O MCULE-1874809708 [0,1,0,0,0,1|1,0,0]=3 1198 B9R0.39 CC(=O)N[C@@H](CO)C(=O)O MCULE-6388016375 [0,1,0,0,0,1|1,0,0]=3 1199 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O MCULE-3293270590 [0,1,0,0,0,1|1,1,0]=4 1200 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O MCULE-8632971295 [0,1,0,0,0,1|1,1,0]=4 1201 B9R0.39 CC(=O)N[C@H](CO)C(=O)O MCULE-3723348697 [0,1,0,0,0,1|1,0,0]=3 1202 B9R0.39 CC(=O)N[C@H](CS)C(=O)O MCULE-2338539483 [0,1,0,0,0,1|1,1,0]=4 1203 B9R0.39 CC(=O)N[C@H](CS)C(=O)O MCULE-7287452762 [0,1,0,0,0,1|1,1,0]=4 1204 B9R0.39 CC=C(CC(=O)O)C(=O)O MCULE-9255608800 [0,1,0,0,0,1|1,0,1]=4 1205 B9R0.39 CCC(CC(=O)O)C(=O)O MCULE-6275256194 [0,1,0,0,0,1|1,0,0]=3 1206 B9R0.39 CCC(NC(=O)C)C(=O)O MCULE-1309294109 [0,1,0,0,0,1|2,0,0]=4 1207 B9R0.39 CCC(NC(=O)C)C(=O)O MCULE-9698129539 [0,1,0,0,0,1|2,0,0]=4 1208 B9R0.39 CCC(NC(=O)N)C(=O)O MCULE-1973871135 [0,1,0,0,0,1|2,0,0]=4 1209 B9R0.39 CC[C@@H](NC(=O)C)C(=O)O MCULE-4606830483 [0,1,0,0,0,1|2,0,0]=4 1210 B9R0.39 CC[C@@H](NC(=O)C)C(=O)O MCULE-7396715663 [0,1,0,0,0,1|2,0,0]=4 1211 B9R0.39 CNC(CC(=O)O)C(=O)O MCULE-5049531079 [0,1,0,0,0,1|1,0,0]=3 1212 B9R0.39 CN[C@@H](CC(=O)N)C(=O)O MCULE-2449462396 [0,1,0,0,0,1|2,0,0]=4 1213 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O MCULE-4725692041 [0,1,0,0,0,1|1,0,0]=3 1214 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O MCULE-6356483886 [0,1,0,0,0,1|1,0,0]=3 1215 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O MCULE-9428412153 [0,1,0,0,0,1|1,0,0]=3 1216 B9R0.39 CN[C@H](CC(=O)N)C(=O)O MCULE-2092394249 [0,1,0,0,0,1|2,0,0]=4 1217 B9R0.39 CN[C@H](CC(=O)O)C(=O)O MCULE-1405442072 [0,1,0,0,0,1|1,0,0]=3 1218 B9R0.39 CN[C@H](CC(=O)O)C(=O)O MCULE-8611804669 [0,1,0,0,0,1|1,0,0]=3 1219 B9R0.39 CN[C@H](CC(=O)O)C(=O)O MCULE-9080466863 [0,1,0,0,0,1|1,0,0]=3 1220 B9R0.39 COC(CC(=O)O)C(=O)O MCULE-3778948045 [0,1,0,0,0,1|0,0,0]=2 1221 B9R0.39 NC(=O)NC(CO)C(=O)O MCULE-8322024012 [0,1,0,0,0,1|1,0,0]=3 1222 B9R0.39 NC(=O)NC(CS)C(=O)O MCULE-3558033323 [0,1,0,0,0,1|1,1,0]=4 1223 B9R0.39 NC(=O)N[C@@H](CS)C(=O)O MCULE-9735857877 [0,1,0,0,0,1|1,1,0]=4 1224 B9R0.39 NCC(CC(=O)O)C(=O)O MCULE-1683659350 [0,1,0,0,0,1|1,0,0]=3 1225 B9R0.39 NCC(CC(=O)O)C(=O)O MCULE-8428141166 [0,1,0,0,0,1|1,0,0]=3 1226 B9R0.39 NCN(CC(=O)O)C(=O)O MCULE-9677383798 [0,1,0,0,0,1|2,0,0]=4 1227 B9R0.39 O=C(O)CC(CS)C(=O)O MCULE-7352825049 [0,1,0,0,0,1|0,1,0]=3 1228 B9R0.42 C(N)(CC(=O)OC)C(=O)O MCULE-8015036052 [0,1,0,0,0,1|1,0,0]=3 1229 B9R0.42 C=C(CC(=O)OC)C(=O)O MCULE-1728748664 [0,1,0,0,0,1|1,0,1]=4 1230 B9R0.42 C=CC(=O)NC(O)C(=O)O MCULE-6399920412 [0,1,0,0,0,1|1,0,0]=3 1231 B9R0.42 CC(NC(=O)CCl)C(=O)O MCULE-6899086052 [0,1,0,0,0,1|2,0,0]=4 1232 B9R0.42 CC(NC(=O)CN)C(=O)O MCULE-2027405418 [0,1,0,0,0,1|2,0,0]=4 1233 B9R0.42 CCC(=O)CC(N)C(=O)O MCULE-7167843152 [0,1,0,0,0,1|2,0,0]=4 1234 B9R0.42 CCC(=O)CC(N)C(=O)O MCULE-9225518491 [0,1,0,0,0,1|2,0,0]=4 1235 B9R0.42 CCC(=O)NC(C)C(=O)O MCULE-5488194337 [0,1,0,0,0,1|2,0,0]=4 1236 B9R0.42 CCC(=O)N[C@@H](C)C(=O)O MCULE-5552061501 [0,1,0,0,0,1|2,0,0]=4 1237 B9R0.42 CNC(=O)CC(N)C(=O)O MCULE-1910017583 [0,1,0,0,0,1|2,0,0]=4 1238 B9R0.42 CNC(=O)CC(N)C(=O)O MCULE-2273353640 [0,1,0,0,0,1|2,0,0]=4 1239 B9R0.42 CNC(=O)C[C@@H](N)C(=O)O MCULE-6316771422 [0,1,0,0,0,1|2,0,0]=4 1240 B9R0.42 CNC(=O)C[C@@H](N)C(=O)O MCULE-8833942582 [0,1,0,0,0,1|2,0,0]=4 1241 B9R0.42 CNC(=O)C[C@H](N)C(=O)O MCULE-7953918935 [0,1,0,0,0,1|2,0,0]=4 1242 B9R0.42 CNC(=O)C[C@H](N)C(=O)O MCULE-9595811834 [0,1,0,0,0,1|2,0,0]=4 1243 B9R0.42 COC(=O)CC(=O)C(=O)O MCULE-5008305161 [0,1,0,0,0,1|0,0,2]=4 1244 B9R0.42 COC(=O)CC(Br)C(=O)C MCULE-7344095898 [0,1,0,0,0,1|2,0,0]=4 1245 B9R0.42 COC(=O)CC(C)C(=O)O MCULE-5595331018 [0,1,0,0,0,1|1,0,0]=3 1246 B9R0.42 COC(=O)CC(C)C(=O)O MCULE-9262719853 [0,1,0,0,0,1|1,0,0]=3 1247 B9R0.42 COC(=O)CC(N)C(=O)O MCULE-1915038693 [0,1,0,0,0,1|1,0,0]=3 1248 B9R0.42 COC(=O)CC(N)C(=O)O MCULE-4452484594 [0,1,0,0,0,1|1,0,0]=3 1249 B9R0.42 COC(=O)CC(N)C(=O)O MCULE-8573910427 [0,1,0,0,0,1|1,0,0]=3 1250 B9R0.42 COC(=O)CC(O)C(=O)O MCULE-7105554854 [0,1,0,0,0,1|0,0,0]=2 1251 B9R0.42 COC(=O)C[C@@H](C)C(=O)Cl MCULE-7326666072 [0,1,0,0,0,1|2,0,0]=4 1252 B9R0.42 COC(=O)C[C@@H](C)C(=O)O MCULE-4861767896 [0,1,0,0,0,1|1,0,0]=3 1253 B9R0.42 COC(=O)C[C@@H](C)C(=O)O MCULE-6107558545 [0,1,0,0,0,1|1,0,0]=3 1254 B9R0.42 COC(=O)C[C@@H](N)C(=O)O MCULE-2364792775 [0,1,0,0,0,1|1,0,0]=3 1255 B9R0.42 COC(=O)C[C@@H](N)C(=O)O MCULE-3240459376 [0,1,0,0,0,1|1,0,0]=3 1256 B9R0.42 COC(=O)C[C@@H](N)C(=O)O MCULE-5997294610 [0,1,0,0,0,1|1,0,0]=3 1257 B9R0.42 COC(=O)C[C@@H](N)C(=O)O MCULE-6955235147 [0,1,0,0,0,1|1,0,0]=3 1258 B9R0.42 COC(=O)C[C@@H](O)C(=O)O MCULE-8916007864 [0,1,0,0,0,1|0,0,0]=2 1259 B9R0.42 COC(=O)C[C@H](C)C(=O)O MCULE-1205037322 [0,1,0,0,0,1|1,0,0]=3 1260 B9R0.42 COC(=O)C[C@H](C)C(=O)O MCULE-7536209773 [0,1,0,0,0,1|1,0,0]=3 1261 B9R0.42 COC(=O)C[C@H](N)C(=O)O MCULE-3838383924 [0,1,0,0,0,1|1,0,0]=3 1262 B9R0.42 COC(=O)C[C@H](N)C(=O)O MCULE-4621655906 [0,1,0,0,0,1|1,0,0]=3 1263 B9R0.42 COC(=O)C[C@H](N)C(=O)O MCULE-5113413935 [0,1,0,0,0,1|1,0,0]=3 1264 B9R0.42 COC(=O)C[C@H](N)C(=O)O MCULE-9857677224 [0,1,0,0,0,1|1,0,0]=3 1265 B9R0.42 COC(=O)C[C@H](O)C(=O)O MCULE-9897810817 [0,1,0,0,0,1|0,0,0]=2 1266 B9R0.42 COC(=O)NC(C)C(=O)O MCULE-9255316794 [0,1,0,0,0,1|1,0,0]=3 1267 B9R0.42 COC(=O)N[C@@H](C)C(=O)O MCULE-3970003504 [0,1,0,0,0,1|1,0,0]=3 1268 B9R0.42 COC(=O)N[C@@H](C)C(=O)O MCULE-7941497211 [0,1,0,0,0,1|1,0,0]=3 1269 B9R0.42 C[C@H](NC(=O)CBr)C(=O)O MCULE-2038149065 [0,1,0,0,0,1|2,0,0]=4 1270 B9R0.42 C[C@H](NC(=O)CCl)C(=O)O MCULE-3478867157 [0,1,0,0,0,1|2,0,0]=4 1271 B9R0.42 C[C@H](NC(=O)CCl)C(=O)O MCULE-8272505742 [0,1,0,0,0,1|2,0,0]=4 1272 B9R0.42 C[C@H](NC(=O)CN)C(=O)O MCULE-2496637228 [0,1,0,0,0,1|2,0,0]=4 1273 B9R0.42 NC(CN(O)N=O)C(=O)O MCULE-5880257959 [0,1,0,0,0,1|2,0,0]=4 1274 B9R0.42 NCC(=O)CC(N)C(=O)O MCULE-5617919538 [0,1,0,0,0,1|2,0,0]=4 1275 B9R0.42 NCC(=O)CC(N)C(=O)O MCULE-5853178152 [0,1,0,0,0,1|2,0,0]=4 1276 B9R0.42 N[C@@H](CC(=O)NO)C(=O)O MCULE-2694436901 [0,1,0,0,0,1|1,0,0]=3 1277 B9R0.42 N[C@@H](CN(O)N=O)C(=O)O MCULE-5513289219 [0,1,0,0,0,1|2,0,0]=4 1278 B9R0.42 [C@@H](C)(NC(=O)CN)C(=O)O MCULE-7578084271 [0,1,0,0,0,1|2,0,0]=4 1279 B9R0.42 [C@H](N)(CN(O)N=O)C(=O)O MCULE-4128156769 [0,1,0,0,0,1|2,0,0]=4 1280 B9R0.57 NC(CP(=O)(O)O)C(=O)O MCULE-3742656954 [0,1,0,0,0,1|2,0,0]=4 1281 B9R0.57 NC(CS(=O)(=O)O)C(=O)O MCULE-3360025136 [0,1,0,0,0,1|2,0,0]=4 1282 B9R0.57 NC(CS(=O)(=O)O)C(=O)O MCULE-4680118250 [0,1,0,0,0,1|2,0,0]=4 1283 B9R0.57 N[C@@H](CP(=O)(O)O)C(=O)O MCULE-6935567843 [0,1,0,0,0,1|2,0,0]=4 1284 B9R0.57 N[C@@H](CS(=O)(=O)O)C(=O)O MCULE-1558128725 [0,1,0,0,0,1|2,0,0]=4 1285 B9R0.57 N[C@@H](CS(=O)(=O)O)C(=O)O MCULE-6109276112 [0,1,0,0,0,1|2,0,0]=4 1286 B9R0.57 O=C(O)C(O)OP(=O)(O)O MCULE-2072428473 [0,1,0,0,0,1|1,0,0]=3 1287 B9R0.79 C=C(O)[C@@H](O)[C@@H](O)C(=C)O MCULE-4802689848 [0,1,0,0,0,1|2,0,0]=4 1288 B9R0.79 CC(=C(C)C(=O)O)C(=O)O MCULE-7892331868 [0,1,0,0,0,1|1,0,1]=4 1289 B9R0.79 CC(=O)N(C)C(C)C(=O)O MCULE-8770175961 [0,1,0,0,0,1|2,0,0]=4 1290 B9R0.79 CC(C(=O)O)C(C)C(=O)O MCULE-6112773421 [0,1,0,0,0,1|1,0,0]=3 1291 B9R0.79 CC(C(=O)O)C(N)C(=O)O MCULE-7699599383 [0,1,0,0,0,1|1,0,0]=3 1292 B9R0.79 CC(C(=O)O)C(O)C(=O)O MCULE-1644748819 [0,1,0,0,0,1|0,0,0]=2 1293 B9R0.79 CC(C(=O)O)[C@H](N)C(=O)O MCULE-1516476673 [0,1,0,0,0,1|1,0,0]=3 1294 B9R0.79 C[C@H](C(=O)O)[C@@H](C)C(=O)O MCULE-1961663558 [0,1,0,0,0,1|1,0,0]=3 1295 B9R0.79 C[C@H](C(=O)O)[C@@H](N)C(=O)O MCULE-1232463081 [0,1,0,0,0,1|1,0,0]=3 1296 B9R0.79 C[C@H](C(=O)O)[C@H](N)C(=O)O MCULE-3277052139 [0,1,0,0,0,1|1,0,0]=3 1297 B9R0.79 NC(=O)C(O)C(O)C(=O)N MCULE-9698453363 [0,1,0,0,0,1|2,0,0]=4 1298 B9R0.79 NC(C(=O)O)C(N)C(=O)O MCULE-8316230798 [0,1,0,0,0,1|1,0,0]=3 1299 B9R0.79 NC(C(=O)O)C(O)C(=O)O MCULE-9532787420 [0,1,0,0,0,1|0,0,0]=2 1300 B9R0.79 N[C@@H](C(=O)O)[C@@H](F)C(=O)O MCULE-2171226271 [0,1,0,0,0,1|1,0,0]=3 1301 B9R0.79 N[C@H](C(=O)O)[C@@H](N)C(=O)O MCULE-6540811499 [0,1,0,0,0,1|1,0,0]=3 1302 B9R0.79 N[C@H](C(=O)O)[C@H](O)C(=O)O MCULE-1913101511 [0,1,0,0,0,1|0,0,0]=2 1303 B9R0.79 N[C@H](C(=O)O)[C@H](O)C(=O)O MCULE-9488918896 [0,1,0,0,0,1|0,0,0]=2 1304 B9R0.79 O=C(O)/C(=C(\O)/C(=O)O)/O MCULE-4694187983 [0,1,0,0,0,1|0,0,1]=3 1305 B9R0.79 O=C(O)C(=C(Br)C(=O)O)Br MCULE-6375677777 [0,1,0,0,0,1|1,0,1]=4 1306 B9R0.79 O=C(O)C(=C(O)C(=O)O)O MCULE-1231900319 [0,1,0,0,0,1|0,0,1]=3 1307 B9R0.79 O=C(O)C(Br)C(Br)C(=O)O MCULE-5784765255 [0,1,0,0,0,1|1,0,0]=3 1308 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-1129308393 [0,1,0,0,0,1|0,0,0]=2 1309 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-2045308981 [0,1,0,0,0,1|0,0,0]=2 1310 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-2628563960 [0,1,0,0,0,1|0,0,0]=2 1311 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-3711883524 [0,1,0,0,0,1|0,0,0]=2 1312 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-3867000095 [0,1,0,0,0,1|0,0,0]=2 1313 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-4358223174 [0,1,0,0,0,1|0,0,0]=2 1314 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-4807487882 [0,1,0,0,0,1|0,0,0]=2 1315 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-5140635020 [0,1,0,0,0,1|0,0,0]=2 1316 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-6522296758 [0,1,0,0,0,1|0,0,0]=2 1317 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-6821495270 [0,1,0,0,0,1|0,0,0]=2 1318 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-7561074998 [0,1,0,0,0,1|0,0,0]=2 1319 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-8089597216 [0,1,0,0,0,1|0,0,0]=2 1320 B9R0.79 O=C(O)C(O)[C@@H](O)C(=O)O MCULE-5751523258 [0,1,0,0,0,1|0,0,0]=2 1321 B9R0.79 O=C(O)C(O)[C@@H](O)C(=O)O MCULE-9550173577 [0,1,0,0,0,1|0,0,0]=2 1322 B9R0.79 O=C(O)C(O)[C@H](O)C(=O)O MCULE-7402521361 [0,1,0,0,0,1|0,0,0]=2 1323 B9R0.79 O=C(O)C(S)C(S)C(=O)O MCULE-6206640169 [0,1,0,0,0,1|0,1,0]=3 1324 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-2640391251 [0,1,0,0,0,1|0,0,0]=2 1325 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-3329629643 [0,1,0,0,0,1|0,0,0]=2 1326 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-3643444072 [0,1,0,0,0,1|0,0,0]=2 1327 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-4107297969 [0,1,0,0,0,1|0,0,0]=2 1328 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-6410123526 [0,1,0,0,0,1|0,0,0]=2 1329 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-6491788082 [0,1,0,0,0,1|0,0,0]=2 1330 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-8917357121 [0,1,0,0,0,1|0,0,0]=2 1331 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-9727943205 [0,1,0,0,0,1|0,0,0]=2 1332 B9R0.79 O=C(O)[C@H](Br)[C@H](Br)C(=O)O MCULE-4542712392 [0,1,0,0,0,1|1,0,0]=3 1333 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-1568229930 [0,1,0,0,0,1|0,0,0]=2 1334 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-2241188013 [0,1,0,0,0,1|0,0,0]=2 1335 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-2831813022 [0,1,0,0,0,1|0,0,0]=2 1336 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-3942804599 [0,1,0,0,0,1|0,0,0]=2 1337 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-5431486019 [0,1,0,0,0,1|0,0,0]=2 1338 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-5579731165 [0,1,0,0,0,1|0,0,0]=2 1339 B9R0.79 O=C(O)[C@H](S)[C@H](S)C(=O)O MCULE-4953802229 [0,1,0,0,0,1|0,1,0]=3 1340 B9R0.79 O=C([O-])C(O)C(O)C(=O)O MCULE-7425540478 [0,1,0,0,0,1|0,0,1]=3 1341 B9R0.79 O=C([O-])C(O)C(O)C(=O)O MCULE-8338522673 [0,1,0,0,0,1|0,0,1]=3 1342 B9R0.79 O=C([O-])C(O)C(O)C(=O)[O-] MCULE-1120076524 [0,1,0,0,0,1|0,0,2]=4 1343 B9R0.79 O=C([O-])C(O)C(O)C(=O)[O-] MCULE-4518735246 [0,1,0,0,0,1|0,0,2]=4 1344 B9R0.79 O=C([O-])[C@@H](O)[C@H](O)C(=O)O MCULE-2803273406 [0,1,0,0,0,1|0,0,1]=3 1345 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)O MCULE-3429484887 [0,1,0,0,0,1|0,0,1]=3 1346 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)O MCULE-5385898917 [0,1,0,0,0,1|0,0,1]=3 1347 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)O MCULE-9680288022 [0,1,0,0,0,1|0,0,1]=3 1348 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)[O-] MCULE-5904390200 [0,1,0,0,0,1|0,0,2]=4 1349 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)[O-] MCULE-7305038555 [0,1,0,0,0,1|0,0,2]=4 1350 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)[O-] MCULE-9168226203 [0,1,0,0,0,1|0,0,2]=4 1351 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)[O-] MCULE-9463773027 [0,1,0,0,0,1|0,0,2]=4 1352 B9R0.79 [C@@H](O)(C(=O)O)[C@H](O)C(=O)O MCULE-5798988872 [0,1,0,0,0,1|0,0,0]=2 1353 B9R0.79 [C@H](O)(C(=O)O)[C@@H](O)C(=O)O MCULE-9974976226 [0,1,0,0,0,1|0,0,0]=2 1354 B9R0.79 [C@H](O)(C(=O)[O-])[C@@H](O)C(=O)O MCULE-7449957572 [0,1,0,0,0,1|0,0,1]=3 1355 B9R0.6 CCOC(=O)C(Br)C(=O)C MCULE-3690894175 [0,2,0,0,0,0|2,0,0]=4 1356 B9R0.6 CCOC(=O)C(C)C(=O)C MCULE-4320588084 [0,2,0,0,0,0|2,0,0]=4 1357 B9R0.6 CCOC(=O)C(C)C(=O)N MCULE-6445150675 [0,2,0,0,0,0|2,0,0]=4 1358 B9R0.6 CCOC(=O)C(C)C(=O)O MCULE-8985852240 [0,2,0,0,0,0|1,0,0]=3 1359 B9R0.6 CCOC(=O)C(C)C(=O)[O-] MCULE-5024546541 [0,2,0,0,0,0|1,0,1]=4 1360 B9R0.6 CCOC(=O)C(Cl)C(=O)C MCULE-6187451142 [0,2,0,0,0,0|2,0,0]=4 1361 B9R0.6 CCOC(=O)C(F)C(=O)C MCULE-3029330881 [0,2,0,0,0,0|2,0,0]=4 1362 B9R0.6 CCOC(=O)C(N)C(=O)C MCULE-2343188401 [0,2,0,0,0,0|2,0,0]=4 1363 B9R0.6 CCOC(=O)C(N)C(=O)C MCULE-3236869229 [0,2,0,0,0,0|2,0,0]=4 1364 B9R0.27 C=C(OC)C(N)C(=O)OC MCULE-2643396359 [0,2,0,0,0,0|2,0,0]=4 1365 B9R0.27 C=C(OC)C(N)C(=O)OC MCULE-5233065686 [0,2,0,0,0,0|2,0,0]=4 1366 B9R0.27 C=CC(=O)C(C)C(=O)OC MCULE-4882962621 [0,2,0,0,0,0|2,0,0]=4 1367 B9R0.27 CCC(=O)C(C)C(=O)OC MCULE-2153331264 [0,2,0,0,0,0|2,0,0]=4 1368 B9R0.27 CCC(=O)C(Cl)C(=O)OC MCULE-6097382115 [0,2,0,0,0,0|2,0,0]=4 1369 B9R0.27 CCC(=O)C(F)C(=O)OC MCULE-7376153502 [0,2,0,0,0,0|2,0,0]=4 1370 B9R0.27 COC(=O)C(Br)C(=O)OC MCULE-1173991756 [0,2,0,0,0,0|1,0,0]=3 1371 B9R0.27 COC(=O)C(C)C(=O)OC MCULE-9983276448 [0,2,0,0,0,0|1,0,0]=3 1372 B9R0.27 COC(=O)C(Cl)C(=O)OC MCULE-9302366024 [0,2,0,0,0,0|1,0,0]=3 1373 B9R0.27 COC(=O)C(F)C(=O)OC MCULE-1966421103 [0,2,0,0,0,0|1,0,0]=3 1374 B9R0.27 COC(=O)C(N)C(=O)OC MCULE-2149912111 [0,2,0,0,0,0|1,0,0]=3 1375 B9R0.27 COC(=O)C(N)C(=O)OC MCULE-3544655591 [0,2,0,0,0,0|1,0,0]=3 1376 B9R0.27 COC(=O)C(O)C(C)OC MCULE-5538819656 [0,2,0,0,0,0|1,0,1]=4 1377 B9R0.27 O=C(CO)C(O)C(O)CO MCULE-8935556784 [0,2,0,0,0,0|0,0,2]=4 1378 B9R0.27 O=C(CO)[C@@H](O)[C@@H](O)CO MCULE-2725905076 [0,2,0,0,0,0|0,0,2]=4 1379 B9R0.27 O=C(CO)[C@@H](O)[C@@H](O)CO MCULE-9876605173 [0,2,0,0,0,0|0,0,2]=4 1380 B9R0.27 O=C(CO)[C@@H](O)[C@H](O)CO MCULE-7865729102 [0,2,0,0,0,0|0,0,2]=4 1381 B9R0.27 O=C(CO)[C@@H](O)[C@H](O)CO MCULE-9552269577 [0,2,0,0,0,0|0,0,2]=4 1382 B9R0.27 O=C(CO)[C@H](O)[C@@H](O)CO MCULE-2032052659 [0,2,0,0,0,0|0,0,2]=4 1383 B9R0.27 O=C(CO)[C@H](O)[C@H](O)CO MCULE-5136624528 [0,2,0,0,0,0|0,0,2]=4 1384 B9R0.28 COC(=O)C(C)(C)C(=O)C MCULE-4521147482 [0,2,0,0,0,0|2,0,0]=4 1385 B9R0.28 COC(=O)C(C)(C)C(=O)Cl MCULE-6953823723 [0,2,0,0,0,0|2,0,0]=4 1386 B9R0.28 COC(=O)C(C)(C)C(=O)O MCULE-7134002417 [0,2,0,0,0,0|1,0,0]=3 1387 B9R0.28 COC(=O)C(C)(O)C(=O)C MCULE-8340608181 [0,2,0,0,0,0|1,0,0]=3 1388 B9R0.28 COC(=O)C(F)(F)C(=O)C MCULE-3033990526 [0,2,0,0,0,0|2,0,0]=4 1389 B9R0.29 CCC(C(=O)C)C(=O)OC MCULE-2050786752 [0,2,0,0,0,0|2,0,0]=4 1390 B9R0.29 CCC(C(=O)O)C(=O)OC MCULE-1272120302 [0,2,0,0,0,0|1,0,0]=3 1391 B9R0.29 COC(=O)C(C#N)C(=O)C MCULE-9910152675 [0,2,0,0,0,0|2,0,0]=4 1392 B9R0.29 COC(=O)C(OC)C(=O)C MCULE-5204145117 [0,2,0,0,0,0|1,0,0]=3 1393 B9R0.29 COC(C)C(OC)C(=O)O MCULE-8500320405 [0,2,0,0,0,0|1,0,1]=4 1394 B9R0.32 CC(C)(CO)C(O)C(=O)O MCULE-3752332762 [0,2,0,0,0,0|1,0,1]=4 1395 B9R0.32 CC(C)(CO)[C@@H](O)C(=O)O MCULE-7418140514 [0,2,0,0,0,0|1,0,1]=4 1396 B9R0.32 CCC(C)(O)C(O)C(=O)O MCULE-6322081363 [0,2,0,0,0,0|1,0,1]=4 1397 B9R0.33 C=CCC(C(=O)O)C(=O)O MCULE-3298515693 [0,2,0,0,0,0|1,0,0]=3 1398 B9R0.33 CCCC(C(=O)O)C(=O)O MCULE-5699074158 [0,2,0,0,0,0|1,0,0]=3 1399 B9R0.54 CC(=C(C(=O)O)C(=O)O)C MCULE-9407619109 [0,2,0,0,0,0|1,0,1]=4 1400 B9R0.54 CC(C)C(C(=O)O)C(=O)O MCULE-5431269503 [0,2,0,0,0,0|1,0,0]=3 1401 B9R0.72 CCC(C(=O)O)P(=O)(O)O MCULE-5080348929 [0,2,0,0,0,0|2,0,0]=4 1402 B9R0.72 NCC(C(=O)O)S(=O)(=O)O MCULE-2775215296 [0,2,0,0,0,0|2,0,0]=4 1403 B9R0.76 CCC(C)(C(=O)O)C(=O)O MCULE-2432593138 [0,2,0,0,0,0|1,0,0]=3 1404 B9R0.80 O=C(O)C(F)(F)S(=O)(=O)O MCULE-1587050384 [0,2,0,0,0,0|2,0,0]=4 1405 B7R1.2 CC1=NOC(=O)C1 MCULE-2665741338 [1,0,0,1,0,0|2,0,0]=4 1406 B7R1.2 CC1=NOC(=O)C1 MCULE-3084424307 [1,0,0,1,0,0|2,0,0]=4 1407 B7R1.2 O=C1C=C(CO1)O MCULE-5095558101 [1,0,0,1,0,0|1,0,1]=4 1408 B7R1.2 O=C1C=CC(=O)C1 MCULE-7662591278 [1,0,0,1,0,0|2,0,0]=4 1409 B7R1.2 O=C1CC(=CO1)O MCULE-3691688750 [1,0,0,1,0,0|1,0,0]=3 1410 B7R1.2 O=C1CC(=O)NN1 MCULE-4591056937 [1,0,0,1,0,0|2,0,0]=4 1411 B7R1.2 O=C1CC(CO1)O MCULE-3779919332 [1,0,0,1,0,0|1,0,1]=4 1412 B7R1.2 O=C1CC(CO1)O MCULE-5609071664 [1,0,0,1,0,0|1,0,1]=4 1413 B7R1.2 O=C1CCC(=O)C1 MCULE-6436831689 [1,0,0,1,0,0|2,0,0]=4 1414 B7R1.2 O=C1CNC(=O)C1 MCULE-6981924013 [1,0,0,1,0,0|2,0,0]=4 1415 B7R1.2 O=C1COC(=O)C1 MCULE-3258090872 [1,0,0,1,0,0|1,0,0]=3 1416 B7R1.2 O=C1COC(=O)N1 MCULE-3103815953 [1,0,0,1,0,0|2,0,0]=4 1417 B7R1.2 O=C1COC(=O)[N-]1 MCULE-2786348217 [1,0,0,1,0,0|2,0,0]=4 1418 B7R1.2 O=C1C[C@@H](CO1)O MCULE-1467506377 [1,0,0,1,0,0|1,0,1]=4 1419 B7R1.2 O=C1C[C@@H](CO1)O MCULE-3668466479 [1,0,0,1,0,0|1,0,1]=4 1420 B7R1.2 O=C1C[C@H](CO1)O MCULE-5756899897 [1,0,0,1,0,0|1,0,1]=4 1421 B7R1.2 O=C1C[C@H](CO1)O MCULE-6247095672 [1,0,0,1,0,0|1,0,1]=4 1422 B7R1.2 O=C1NOC(=O)N1 MCULE-5599103299 [1,0,0,1,0,0|2,0,0]=4 1423 B7R1.12 C=C1CC1C(=O)O MCULE-4330944573 [1,0,0,1,0,0|2,0,0]=4 1424 B7R1.12 CC1=CC1C(=O)O MCULE-6979504623 [1,0,0,1,0,0|2,0,0]=4 1425 B7R1.20 O=C(O)CC1CO1 MCULE-5322663834 [1,0,0,1,0,0|1,0,1]=4 1426 B7R1.20 O=C(O)C[C@H]1CO1 MCULE-2418249972 [1,0,0,1,0,0|1,0,1]=4 1427 B7R1.4 O=C1OCCC1O MCULE-2144002601 [1,0,0,1,0,0|1,0,1]=4 1428 B7R1.4 O=C1OCC[C@@H]1O MCULE-7764011790 [1,0,0,1,0,0|1,0,1]=4 1429 B7R1.4 O=C1OCC[C@@H]1O MCULE-9001729998 [1,0,0,1,0,0|1,0,1]=4 1430 B7R1.4 O=C1OCC[C@H]1O MCULE-6949645282 [1,0,0,1,0,0|1,0,1]=4 1431 B7R1.4 O=C1OCC[C@H]1O MCULE-7110242636 [1,0,0,1,0,0|1,0,1]=4 1432 B7R1.18 O=C(O)C1CCO1 MCULE-6065911736 [1,0,0,1,0,0|1,0,1]=4 1433 B7R1.18 O=C(O)C1CCO1 MCULE-9296370119 [1,0,0,1,0,0|1,0,1]=4 1434 B7R1.18 O=C(O)C1COC1 MCULE-2530431165 [1,0,0,1,0,0|1,0,1]=4 1435 B7R1.18 O=C(O)[C@@H]1CCO1 MCULE-5117442811 [1,0,0,1,0,0|1,0,1]=4 1436 B7R1.18 O=C(O)[C@@H]1CCO1 MCULE-8116248615 [1,0,0,1,0,0|1,0,1]=4 1437 B7R1.18 O=C(O)[C@H]1CCO1 MCULE-5499247834 [1,0,0,1,0,0|1,0,1]=4 1438 B7R1.18 O=C(O)[C@H]1CCO1 MCULE-7468207073 [1,0,0,1,0,0|1,0,1]=4 1439 B7R1.19 CC1(CO1)C(=O)O MCULE-9344660544 [1,0,0,1,0,0|1,0,1]=4 1440 B7R1.19 O=C(O)C1(CC1)O MCULE-7923609070 [1,0,0,1,0,0|1,0,1]=4 1441 B9R1.35 C1(CCC(=O)C1)C(=O)O MCULE-7485965564 [0,0,0,1,0,1|2,0,0]=4 1442 B9R1.35 C1(CCC(=O)O1)C(=O)O MCULE-6663255579 [0,0,0,1,0,1|2,0,0]=4 1443 B9R1.35 CC(=O)C1COC(=O)C1 MCULE-4262262510 [0,0,0,1,0,1|2,0,0]=4 1444 B9R1.35 CC1=NOC(C1)C(=O)O MCULE-4730152545 [0,0,0,1,0,1|2,0,0]=4 1445 B9R1.35 CC1=NO[C@@H](C1)C(=O)O MCULE-4081165004 [0,0,0,1,0,1|2,0,0]=4 1446 B9R1.35 O=C(O)C1=CC(=NO1)O MCULE-4091331329 [0,0,0,1,0,1|1,0,1]=4 1447 B9R1.35 O=C(O)C1CC(=NO1)Br MCULE-8217813426 [0,0,0,1,0,1|2,0,0]=4 1448 B9R1.35 O=C1CC(CN1)C(=O)O MCULE-2190630193 [0,0,0,1,0,1|2,0,0]=4 1449 B9R1.35 O=C1CC(CO1)C(=O)O MCULE-4876585769 [0,0,0,1,0,1|1,0,0]=3 1450 B9R1.35 O=C1CC(CS1)C(=O)O MCULE-5763665475 [0,0,0,1,0,1|1,1,0]=4 1451 B9R1.35 O=C1CC(NN1)C(=O)O MCULE-3197471189 [0,0,0,1,0,1|2,0,0]=4 1452 B9R1.35 O=C1CCC(C1)C(=O)O MCULE-8715651663 [0,0,0,1,0,1|2,0,0]=4 1453 B9R1.35 O=C1CCC(N1)C(=O)O MCULE-4175874303 [0,0,0,1,0,1|2,0,0]=4 1454 B9R1.35 O=C1CCC(N1)C(=O)O MCULE-9028773140 [0,0,0,1,0,1|2,0,0]=4 1455 B9R1.35 O=C1CCC(O1)C(=O)O MCULE-1992756541 [0,0,0,1,0,1|2,0,0]=4 1456 B9R1.35 O=C1CCC(S1)C(=O)O MCULE-8929436839 [0,0,0,1,0,1|2,0,0]=4 1457 B9R1.35 O=C1CC[C@@H](C1)C(=O)O MCULE-1554776363 [0,0,0,1,0,1|2,0,0]=4 1458 B9R1.35 O=C1CC[C@@H](C1)C(=O)O MCULE-4649943680 [0,0,0,1,0,1|2,0,0]=4 1459 B9R1.35 O=C1CC[C@@H](N1)C(=O)O MCULE-5900221010 [0,0,0,1,0,1|2,0,0]=4 1460 B9R1.35 O=C1CC[C@@H](N1)C(=O)O MCULE-8170238114 [0,0,0,1,0,1|2,0,0]=4 1461 B9R1.35 O=C1CC[C@@H](O1)C(=O)O MCULE-1446049605 [0,0,0,1,0,1|2,0,0]=4 1462 B9R1.35 O=C1CC[C@@H](O1)C(=O)O MCULE-6745317325 [0,0,0,1,0,1|2,0,0]=4 1463 B9R1.35 O=C1CC[C@H](C1)C(=O)O MCULE-6597072682 [0,0,0,1,0,1|2,0,0]=4 1464 B9R1.35 O=C1CC[C@H](C1)C(=O)O MCULE-7880064966 [0,0,0,1,0,1|2,0,0]=4 1465 B9R1.35 O=C1CC[C@H](N1)C(=O)O MCULE-4204877494 [0,0,0,1,0,1|2,0,0]=4 1466 B9R1.35 O=C1CC[C@H](N1)C(=O)O MCULE-4908547112 [0,0,0,1,0,1|2,0,0]=4 1467 B9R1.35 O=C1CC[C@H](N1)C(=O)O MCULE-6422141688 [0,0,0,1,0,1|2,0,0]=4 1468 B9R1.35 O=C1CC[C@H](O1)C(=O)O MCULE-5669975621 [0,0,0,1,0,1|2,0,0]=4 1469 B9R1.35 O=C1CC[C@H](O1)C(=O)O MCULE-7113736527 [0,0,0,1,0,1|2,0,0]=4 1470 B9R1.35 O=C1CC[C@H](S1)C(=O)O MCULE-4843749267 [0,0,0,1,0,1|2,0,0]=4 1471 B9R1.35 O=C1CNC(C1)C(=O)O MCULE-7418065190 [0,0,0,1,0,1|2,0,0]=4 1472 B9R1.35 O=C1CNC(C1)C(=O)O MCULE-7697956784 [0,0,0,1,0,1|2,0,0]=4 1473 B9R1.35 O=C1CNC(C1)C(=O)O MCULE-9520720032 [0,0,0,1,0,1|2,0,0]=4 1474 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-2573903934 [0,0,0,1,0,1|2,0,0]=4 1475 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-3585746586 [0,0,0,1,0,1|2,0,0]=4 1476 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-4771747932 [0,0,0,1,0,1|2,0,0]=4 1477 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-4795592072 [0,0,0,1,0,1|2,0,0]=4 1478 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-6928857625 [0,0,0,1,0,1|2,0,0]=4 1479 B9R1.35 O=C1COC(C1)C(=O)O MCULE-4720798204 [0,0,0,1,0,1|1,0,0]=3 1480 B9R1.35 O=C1CSC(C1)C(=O)O MCULE-3309649635 [0,0,0,1,0,1|1,1,0]=4 1481 B9R1.35 O=C1C[C@@H](CN1)C(=O)O MCULE-5673992530 [0,0,0,1,0,1|2,0,0]=4 1482 B9R1.35 O=C1C[C@@H](CN1)C(=O)O MCULE-8443757903 [0,0,0,1,0,1|2,0,0]=4 1483 B9R1.35 O=C1C[C@H](CN1)C(=O)O MCULE-1024601569 [0,0,0,1,0,1|2,0,0]=4 1484 B9R1.35 O=C1C[C@H](CN1)C(=O)O MCULE-4280238532 [0,0,0,1,0,1|2,0,0]=4 1485 B9R1.35 O=C1NC(=CO1)C(=O)O MCULE-2610586771 [0,0,0,1,0,1|1,0,1]=4 1486 B9R1.35 O=C1NC(=NO1)C(=O)O MCULE-5897124585 [0,0,0,1,0,1|1,0,1]=4 1487 B9R1.35 O=C1NC(CO1)C(=O)O MCULE-5946769187 [0,0,0,1,0,1|1,0,0]=3 1488 B9R1.35 O=C1NC(CS1)C(=O)O MCULE-4574359237 [0,0,0,1,0,1|1,1,0]=4 1489 B9R1.35 O=C1NCC(N1)C(=O)O MCULE-5872947769 [0,0,0,1,0,1|2,0,0]=4 1490 B9R1.35 O=C1NCC(O1)C(=O)O MCULE-2773613806 [0,0,0,1,0,1|2,0,0]=4 1491 B9R1.35 O=C1NC[C@@H](N1)C(=O)O MCULE-3499982275 [0,0,0,1,0,1|2,0,0]=4 1492 B9R1.35 O=C1NC[C@@H](N1)C(=O)O MCULE-9995046216 [0,0,0,1,0,1|2,0,0]=4 1493 B9R1.35 O=C1NC[C@H](N1)C(=O)O MCULE-2524102915 [0,0,0,1,0,1|2,0,0]=4 1494 B9R1.35 O=C1NC[C@H](N1)C(=O)O MCULE-5992511798 [0,0,0,1,0,1|2,0,0]=4 1495 B9R1.35 O=C1NC[C@H](O1)C(=O)O MCULE-5972751457 [0,0,0,1,0,1|2,0,0]=4 1496 B9R1.35 O=C1NC[C@H](O1)C(=O)O MCULE-6879191654 [0,0,0,1,0,1|2,0,0]=4 1497 B9R1.35 O=C1N[C@@H](CO1)C(=O)O MCULE-2786614278 [0,0,0,1,0,1|1,0,0]=3 1498 B9R1.35 O=C1N[C@@H](CO1)C(=O)O MCULE-8589745511 [0,0,0,1,0,1|1,0,0]=3 1499 B9R1.35 O=C1N[C@@H](CS1)C(=O)O MCULE-8232416107 [0,0,0,1,0,1|1,1,0]=4 1500 B9R1.35 O=C1N[C@@H](CS1)C(=O)O MCULE-9439896780 [0,0,0,1,0,1|1,1,0]=4 1501 B9R1.35 O=C1N[C@H](CO1)C(=O)O MCULE-3716829138 [0,0,0,1,0,1|1,0,0]=3 1502 B9R1.35 O=C1N[C@H](CO1)C(=O)O MCULE-9300998688 [0,0,0,1,0,1|1,0,0]=3 1503 B9R1.35 O=C1N[C@H](CS1)C(=O)O MCULE-3120744944 [0,0,0,1,0,1|1,1,0]=4 1504 B9R1.35 O=C1OCC(O1)C(=O)O MCULE-2772637927 [0,0,0,1,0,1|1,0,0]=3 1505 B9R1.69 CC1OC(=O)COC1=O MCULE-8718960339 [0,0,0,1,0,1|2,0,0]=4 1506 B9R1.152 C=C1CC(C1)(O)C(=O)O MCULE-9531189314 [0,0,0,1,0,1|2,0,0]=4 1507 B9R1.152 CC1(CC(=O)C1)C(=O)O MCULE-5766836727 [0,0,0,1,0,1|2,0,0]=4 1508 B9R1.152 O=C(O)C1(CC(C1)O)O MCULE-4321795643 [0,0,0,1,0,1|1,0,1]=4 1509 B9R1.152 O=C(O)[C@@]1(C[C@@H](C1)O)O MCULE-3005775021 [0,0,0,1,0,1|1,0,1]=4 1510 B9R1.152 O=C(O)[C@@]1(C[C@H](C1)O)O MCULE-2152193030 [0,0,0,1,0,1|1,0,1]=4 1511 B9R1.161 NC(=O)C1CC1C(=O)O MCULE-6146043873 [0,0,0,1,0,1|2,0,0]=4 1512 B9R1.161 O=C(Cl)C1OC1C(=O)Cl MCULE-9383694320 [0,0,0,1,0,1|2,0,0]=4 1513 B9R1.161 O=C(O)C1CC1C(=O)O MCULE-5636831869 [0,0,0,1,0,1|1,0,0]=3 1514 B9R1.161 O=C(O)C1OC1C(=O)O MCULE-2308875813 [0,0,0,1,0,1|0,0,0]=2 1515 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O MCULE-2176178577 [0,0,0,1,0,1|1,0,0]=3 1516 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O MCULE-7341169681 [0,0,0,1,0,1|1,0,0]=3 1517 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O MCULE-9766210553 [0,0,0,1,0,1|1,0,0]=3 1518 B9R1.161 O=C(O)[C@@H]1O[C@H]1C(=O)O MCULE-2854301838 [0,0,0,1,0,1|0,0,0]=2 1519 B9R1.161 O=C(O)[C@@H]1O[C@H]1C(=O)O MCULE-7193163448 [0,0,0,1,0,1|0,0,0]=2 1520 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(=O)O MCULE-8230558967 [0,0,0,1,0,1|1,0,0]=3 1521 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(=O)O MCULE-9433538416 [0,0,0,1,0,1|1,0,0]=3 1522 B9R1.161 O=C(O)[C@H]1C[C@H]1C(=O)O MCULE-4280807741 [0,0,0,1,0,1|1,0,0]=3 1523 B9R1.161 O=C(O)[C@H]1O[C@H]1C(=O)O MCULE-6088596771 [0,0,0,1,0,1|0,0,0]=2 1524 B9R1.161 O=C([O-])[C@H]1O[C@H]1C(=O)[O-] MCULE-9392079342 [0,0,0,1,0,1|0,0,2]=4 1525 B9R1.37 CC1OC(=O)C(=C1O)O MCULE-5304828877 [0,1,0,1,0,0|1,0,1]=4 1526 B9R1.37 CC1OC(=O)C(C1O)O MCULE-1862325809 [0,1,0,1,0,0|1,0,1]=4 1527 B9R1.37 C[C@@H]1OC(=O)[C@@H]([C@H]1O)O MCULE-3554272195 [0,1,0,1,0,0|1,0,1]=4 1528 B9R1.37 O=C1OC(=C(C1Cl)Cl)O MCULE-6429937239 [0,1,0,1,0,0|2,0,0]=4 1529 B9R1.41 CC(=O)C1CCOC1=O MCULE-4236075888 [0,1,0,1,0,0|2,0,0]=4 1530 B9R1.41 O=C(O)C1=NON=C1O MCULE-2928095407 [0,1,0,1,0,0|1,0,1]=4 1531 B9R1.41 O=C(O)C1CCCC1=O MCULE-9500236289 [0,1,0,1,0,0|2,0,0]=4 1532 B9R1.41 O=C(O)C1CCNC1=O MCULE-3110303122 [0,1,0,1,0,0|2,0,0]=4 1533 B9R1.41 O=C(O)C1CCOC1=O MCULE-1545162383 [0,1,0,1,0,0|1,0,0]=3 1534 B9R1.41 O=C(O)C1CSCC1=O MCULE-2401489071 [0,1,0,1,0,0|1,1,0]=4 1535 B9R1.41 O=C(O)N1CCOC1=O MCULE-1134006173 [0,1,0,1,0,0|2,0,0]=4 1536 B9R1.41 O=C(O)[C@@H]1CCNC1=O MCULE-2092808645 [0,1,0,1,0,0|2,0,0]=4 1537 B9R1.168 CC(=O)C1(CC1)C(=O)O MCULE-4529598350 [0,1,0,1,0,0|2,0,0]=4 1538 B9R1.168 NC(=O)C1(CC1)C(=O)O MCULE-5762715877 [0,1,0,1,0,0|2,0,0]=4 1539 B9R1.168 O=C(O)C1(CC1)C(=O)O MCULE-3457962827 [0,1,0,1,0,0|1,0,0]=3 1540 B9R1.106 CC1(C(=O)COC1=O)C MCULE-4169378372 [0,1,0,1,0,0|2,0,0]=4 1541 B9R1.106 C[C@@]1(C(=O)OC[C@H]1O)O MCULE-6247915400 [0,1,0,1,0,0|1,0,1]=4 1542 B9R1.106 C[C@@]1(C(=O)OC[C@H]1O)O MCULE-6635734630 [0,1,0,1,0,0|1,0,1]=4 1543 B7R0.6 C=C(Br)CCC(=O)O MCULE-5257916083 [1,0,0,0,0,1|2,0,0]=4 1544 B7R0.6 C=C(C)CCC(=O)O MCULE-8738532812 [1,0,0,0,0,1|2,0,0]=4 1545 B7R0.6 C=C(C)NCC(=O)O MCULE-6347105994 [1,0,0,0,0,1|2,0,0]=4 1546 B7R0.6 C=C(Cl)CCC(=O)O MCULE-8617886776 [1,0,0,0,0,1|2,0,0]=4 1547 B7R0.6 CC(=CCC(=O)O)C MCULE-2552993418 [1,0,0,0,0,1|2,0,0]=4 1548 B7R0.6 CC(=O)/C=C/C(=O)O MCULE-8768861026 [1,0,0,0,0,1|1,0,1]=4 1549 B7R0.6 CC(=O)C=CC(=O)O MCULE-6867353277 [1,0,0,0,0,1|1,0,1]=4 1550 B7R0.6 CC(=O)CCC(=O)C MCULE-3166810473 [1,0,0,0,0,1|2,0,0]=4 1551 B7R0.6 CC(=O)CCC(=O)N MCULE-8943258659 [1,0,0,0,0,1|2,0,0]=4 1552 B7R0.6 CC(=O)CCC(=O)O MCULE-1392778065 [1,0,0,0,0,1|1,0,0]=3 1553 B7R0.6 CC(=O)CCC(=O)[O-] MCULE-4975344808 [1,0,0,0,0,1|1,0,1]=4 1554 B7R0.6 CC(=O)CNC(=O)C MCULE-7941086302 [1,0,0,0,0,1|2,0,0]=4 1555 B7R0.6 CC(=O)CNC(=O)Cl MCULE-2043888982 [1,0,0,0,0,1|2,0,0]=4 1556 B7R0.6 CC(=O)COC(=O)C MCULE-2994552521 [1,0,0,0,0,1|2,0,0]=4 1557 B7R0.6 CC(=O)NCC(=O)Cl MCULE-3900899057 [1,0,0,0,0,1|2,0,0]=4 1558 B7R0.6 CC(=O)NCC(=O)N MCULE-7934502236 [1,0,0,0,0,1|2,0,0]=4 1559 B7R0.6 CC(=O)NCC(=O)O MCULE-5811325186 [1,0,0,0,0,1|1,0,0]=3 1560 B7R0.6 CC(=O)OCC(=O)Cl MCULE-3086938222 [1,0,0,0,0,1|2,0,0]=4 1561 B7R0.6 CC(=O)OCC(=O)O MCULE-6837320824 [1,0,0,0,0,1|1,0,0]=3 1562 B7R0.6 CC(=O)SCC(=O)O MCULE-1974657694 [1,0,0,0,0,1|1,0,0]=3 1563 B7R0.6 CC(=S)NCC(=O)O MCULE-9052571833 [1,0,0,0,0,1|1,1,0]=4 1564 B7R0.6 CC(O)CCC(=O)O MCULE-6352217997 [1,0,0,0,0,1|1,0,1]=4 1565 B7R0.6 CS(=O)CCC(=O)O MCULE-8243349779 [1,0,0,0,0,1|2,0,0]=4 1566 B7R0.6 C[C@@H](O)COC(=O)O MCULE-3794886346 [1,0,0,0,0,1|1,0,1]=4 1567 B7R0.6 N=C(N)NCC(=O)O MCULE-8180759180 [1,0,0,0,0,1|2,0,0]=4 1568 B7R0.6 N=C(N)NCC(=O)O MCULE-8327589872 [1,0,0,0,0,1|2,0,0]=4 1569 B7R0.6 N=C(N)SCC(=O)O MCULE-2089510220 [1,0,0,0,0,1|2,0,0]=4 1570 B7R0.6 N=C(N)SCC(=O)O MCULE-3427937751 [1,0,0,0,0,1|2,0,0]=4 1571 B7R0.6 NC(=O)/C=C/C(=O)O MCULE-4042951919 [1,0,0,0,0,1|1,0,1]=4 1572 B7R0.6 NC(=O)/C=C\C(=O)O MCULE-9066996879 [1,0,0,0,0,1|1,0,1]=4 1573 B7R0.6 NC(=O)C=CC(=O)O MCULE-2401877342 [1,0,0,0,0,1|1,0,1]=4 1574 B7R0.6 NC(=O)CCC(=O)N MCULE-2107382817 [1,0,0,0,0,1|2,0,0]=4 1575 B7R0.6 NC(=O)CCC(=O)O MCULE-5813999826 [1,0,0,0,0,1|1,0,0]=3 1576 B7R0.6 NC(=O)NCC(=O)O MCULE-7640310218 [1,0,0,0,0,1|1,0,0]=3 1577 B7R0.6 NC(=O)SCC(=O)O MCULE-2409074226 [1,0,0,0,0,1|1,0,0]=3 1578 B7R0.6 NC(=S)NCC(=O)O MCULE-7421473219 [1,0,0,0,0,1|1,1,0]=4 1579 B7R0.6 O=C(Cl)CCC(=O)Cl MCULE-6220065982 [1,0,0,0,0,1|2,0,0]=4 1580 B7R0.6 O=C(O)/C=C/C(=O)O MCULE-3549142744 [1,0,0,0,0,1|0,0,1]=3 1581 B7R0.6 O=C(O)/C=C/C(=O)O MCULE-5263906793 [1,0,0,0,0,1|0,0,1]=3 1582 B7R0.6 O=C(O)/C=C\C(=O)O MCULE-1113222985 [1,0,0,0,0,1|0,0,1]=3 1583 B7R0.6 O=C(O)C#CC(=O)O MCULE-3952041688 [1,0,0,0,0,1|0,0,1]=3 1584 B7R0.6 O=C(O)C=CC(=O)O MCULE-5329407890 [1,0,0,0,0,1|0,0,1]=3 1585 B7R0.6 O=C(O)C=CC(=O)O MCULE-7492596773 [1,0,0,0,0,1|0,0,1]=3 1586 B7R0.6 O=C(O)C=CC(=O)O MCULE-8076793268 [1,0,0,0,0,1|0,0,1]=3 1587 B7R0.6 O=C(O)C=CC(=O)O MCULE-9488315563 [1,0,0,0,0,1|0,0,1]=3 1588 B7R0.6 O=C(O)C=CC(=O)O MCULE-9920754312 [1,0,0,0,0,1|0,0,1]=3 1589 B7R0.6 O=C(O)CCB(O)O MCULE-9351023222 [1,0,0,0,0,1|1,0,1]=4 1590 B7R0.6 O=C(O)CCC(=O)O MCULE-1233211613 [1,0,0,0,0,1|0,0,0]=2 1591 B7R0.6 O=C(O)CCC(=O)O MCULE-5889111640 [1,0,0,0,0,1|0,0,0]=2 1592 B7R0.6 O=C(O)CCN(=O)=O MCULE-1879231817 [1,0,0,0,0,1|1,0,1]=4 1593 B7R0.6 O=C(O)N=NC(=O)O MCULE-6858626658 [1,0,0,0,0,1|1,0,0]=3 1594 B7R0.6 O=C([O-])C#CC(=O)O MCULE-8275918466 [1,0,0,0,0,1|0,0,2]=4 1595 B7R0.6 O=C([O-])CCC(=O)O MCULE-9149947862 [1,0,0,0,0,1|0,0,1]=3 1596 B7R0.6 O=C([O-])CCC(=O)[O-] MCULE-6304944077 [1,0,0,0,0,1|0,0,2]=4 1597 B9R0.7 C(N)(CCC(=O)[O-])C(=O)O MCULE-5359010340 [0,0,0,0,0,2|1,0,1]=4 1598 B9R0.7 C=C(CCC(=O)O)C(=O)O MCULE-3502029665 [0,0,0,0,0,2|1,0,1]=4 1599 B9R0.7 CC(=O)C(C)CCC(=O)O MCULE-9124111940 [0,0,0,0,0,2|2,0,0]=4 1600 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-4063734192 [0,0,0,0,0,2|2,0,0]=4 1601 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-6252379108 [0,0,0,0,0,2|2,0,0]=4 1602 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-6448707862 [0,0,0,0,0,2|2,0,0]=4 1603 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-8255582994 [0,0,0,0,0,2|2,0,0]=4 1604 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-2377153563 [0,0,0,0,0,2|2,0,0]=4 1605 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-2469027462 [0,0,0,0,0,2|2,0,0]=4 1606 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-4796013964 [0,0,0,0,0,2|2,0,0]=4 1607 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-9408226443 [0,0,0,0,0,2|2,0,0]=4 1608 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-1751945139 [0,0,0,0,0,2|2,0,0]=4 1609 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-3822387628 [0,0,0,0,0,2|2,0,0]=4 1610 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-6052634347 [0,0,0,0,0,2|2,0,0]=4 1611 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-6909390355 [0,0,0,0,0,2|2,0,0]=4 1612 B9R0.7 CC(=O)SCC(C)C(=O)O MCULE-5116238206 [0,0,0,0,0,2|2,0,0]=4 1613 B9R0.7 CC(=O)SCC(N)C(=O)O MCULE-2891442308 [0,0,0,0,0,2|2,0,0]=4 1614 B9R0.7 CC(=O)SCC(N)C(=O)O MCULE-4623851451 [0,0,0,0,0,2|2,0,0]=4 1615 B9R0.7 CC(=O)SC[C@@H](C)C(=O)O MCULE-8028939364 [0,0,0,0,0,2|2,0,0]=4 1616 B9R0.7 CC(=O)SC[C@@H](C)C(=O)O MCULE-8973266419 [0,0,0,0,0,2|2,0,0]=4 1617 B9R0.7 CC(=O)SC[C@H](N)C(=O)O MCULE-1698125004 [0,0,0,0,0,2|2,0,0]=4 1618 B9R0.7 CC(=O)SC[C@H](N)C(=O)O MCULE-6046193594 [0,0,0,0,0,2|2,0,0]=4 1619 B9R0.7 CC(CCC(=O)O)C(=O)O MCULE-1523371907 [0,0,0,0,0,2|1,0,0]=3 1620 B9R0.7 CC(CCC(=O)O)C(=O)O MCULE-1939523418 [0,0,0,0,0,2|1,0,0]=3 1621 B9R0.7 CC(CNC(=O)N)C(=O)O MCULE-6367938073 [0,0,0,0,0,2|2,0,0]=4 1622 B9R0.7 CC(NCC(=O)O)C(=O)O MCULE-1111290878 [0,0,0,0,0,2|1,0,0]=3 1623 B9R0.7 CC(NCC(=O)O)C(=O)O MCULE-6569987660 [0,0,0,0,0,2|1,0,0]=3 1624 B9R0.7 CC(SCC(=O)O)C(=O)O MCULE-8523268796 [0,0,0,0,0,2|1,0,0]=3 1625 B9R0.7 C[C@@H](CCC(=O)O)C(=O)O MCULE-7515023265 [0,0,0,0,0,2|1,0,0]=3 1626 B9R0.7 C[C@H](CCC(=O)O)C(=O)O MCULE-8441860655 [0,0,0,0,0,2|1,0,0]=3 1627 B9R0.7 C[C@H](CCC(=O)O)C(=O)O MCULE-9071150671 [0,0,0,0,0,2|1,0,0]=3 1628 B9R0.7 C[C@H](NCC(=O)O)C(=O)O MCULE-1511229567 [0,0,0,0,0,2|1,0,0]=3 1629 B9R0.7 C[C@H](NCC(=O)O)C(=O)O MCULE-4530562082 [0,0,0,0,0,2|1,0,0]=3 1630 B9R0.7 NC(=O)C(N)CCC(=O)O MCULE-7109792615 [0,0,0,0,0,2|2,0,0]=4 1631 B9R0.7 NC(=O)C(N)CCC(=O)O MCULE-8741984156 [0,0,0,0,0,2|2,0,0]=4 1632 B9R0.7 NC(=O)CCC(N)C(=O)O MCULE-1418655814 [0,0,0,0,0,2|2,0,0]=4 1633 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O MCULE-7870225738 [0,0,0,0,0,2|2,0,0]=4 1634 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O MCULE-9711806580 [0,0,0,0,0,2|2,0,0]=4 1635 B9R0.7 NC(=O)CC[C@H](N)C(=O)O MCULE-7234937947 [0,0,0,0,0,2|2,0,0]=4 1636 B9R0.7 NC(=O)CC[C@H](N)C(=O)O MCULE-8718820108 [0,0,0,0,0,2|2,0,0]=4 1637 B9R0.7 NC(=O)NCC(N)C(=O)O MCULE-4609961006 [0,0,0,0,0,2|2,0,0]=4 1638 B9R0.7 NC(=O)NC[C@@H](N)C(=O)O MCULE-7506737023 [0,0,0,0,0,2|2,0,0]=4 1639 B9R0.7 NC(=O)NC[C@H](N)C(=O)O MCULE-3123973606 [0,0,0,0,0,2|2,0,0]=4 1640 B9R0.7 NC(=O)SCC(N)C(=O)O MCULE-7865241343 [0,0,0,0,0,2|2,0,0]=4 1641 B9R0.7 NC(=O)SC[C@H](N)C(=O)O MCULE-6647567669 [0,0,0,0,0,2|2,0,0]=4 1642 B9R0.7 NC(=O)SC[C@H](N)C(=O)O MCULE-7995535877 [0,0,0,0,0,2|2,0,0]=4 1643 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O MCULE-7404893649 [0,0,0,0,0,2|2,0,0]=4 1644 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O MCULE-7580681383 [0,0,0,0,0,2|2,0,0]=4 1645 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-3142698040 [0,0,0,0,0,2|2,0,0]=4 1646 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-3865619229 [0,0,0,0,0,2|2,0,0]=4 1647 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-8184010011 [0,0,0,0,0,2|2,0,0]=4 1648 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-8981731652 [0,0,0,0,0,2|2,0,0]=4 1649 B9R0.7 NC(CCC(=O)O)C(=O)O MCULE-4203507491 [0,0,0,0,0,2|1,0,0]=3 1650 B9R0.7 NC(CCC(=O)O)C(=O)O MCULE-4600207704 [0,0,0,0,0,2|1,0,0]=3 1651 B9R0.7 NC(CCC(=O)O)C(=O)O MCULE-8107432729 [0,0,0,0,0,2|1,0,0]=3 1652 B9R0.7 NC(CCC(=O)[O-])C(=O)O MCULE-5012956158 [0,0,0,0,0,2|1,0,1]=4 1653 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-6077524166 [0,0,0,0,0,2|1,0,0]=3 1654 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-7201150413 [0,0,0,0,0,2|1,0,0]=3 1655 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-7328895736 [0,0,0,0,0,2|1,0,0]=3 1656 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-7782530856 [0,0,0,0,0,2|1,0,0]=3 1657 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-9447720868 [0,0,0,0,0,2|1,0,0]=3 1658 B9R0.7 N[C@@H](CCC(=O)O)C(=O)[O-] MCULE-3042990215 [0,0,0,0,0,2|1,0,1]=4 1659 B9R0.7 N[C@@H](CCC(=O)[O-])C(=O)O MCULE-2315425063 [0,0,0,0,0,2|1,0,1]=4 1660 B9R0.7 N[C@@H](CCC(=O)[O-])C(=O)O MCULE-4367391999 [0,0,0,0,0,2|1,0,1]=4 1661 B9R0.7 N[C@H](CCC(=O)O)C(=O)O MCULE-5884691541 [0,0,0,0,0,2|1,0,0]=3 1662 B9R0.7 N[C@H](CCC(=O)O)C(=O)O MCULE-6647836957 [0,0,0,0,0,2|1,0,0]=3 1663 B9R0.7 O=C(O)CCC(=O)C(=O)O MCULE-5148157449 [0,0,0,0,0,2|0,0,2]=4 1664 B9R0.7 O=C(O)CCC(Cl)C(=O)O MCULE-8696439839 [0,0,0,0,0,2|1,0,0]=3 1665 B9R0.7 O=C(O)CCC(O)C(=O)O MCULE-5732806069 [0,0,0,0,0,2|0,0,0]=2 1666 B9R0.7 O=C(O)CC[C@@H](O)C(=O)O MCULE-2990674754 [0,0,0,0,0,2|0,0,0]=2 1667 B9R0.7 O=C(O)CC[C@@H](O)C(=O)O MCULE-9463608806 [0,0,0,0,0,2|0,0,0]=2 1668 B9R0.7 O=C(O)CC[C@H](Br)C(=O)O MCULE-3541564241 [0,0,0,0,0,2|1,0,0]=3 1669 B9R0.7 O=C(O)CC[C@H](Br)C(=O)O MCULE-5484001209 [0,0,0,0,0,2|1,0,0]=3 1670 B9R0.7 O=C(O)CC[C@H](Cl)C(=O)O MCULE-4338578978 [0,0,0,0,0,2|1,0,0]=3 1671 B9R0.7 O=C(O)CC[C@H](O)C(=O)O MCULE-4494756126 [0,0,0,0,0,2|0,0,0]=2 1672 B9R0.7 O=C(O)CNC(=O)C(=O)O MCULE-6181171802 [0,0,0,0,0,2|0,0,2]=4 1673 B9R0.7 O=C([O-])CCC(O)C(=O)[O-] MCULE-1880842258 [0,0,0,0,0,2|0,0,2]=4 1674 B9R0.7 O=C([O-])CCC(O)C(=O)[O-] MCULE-4254561979 [0,0,0,0,0,2|0,0,2]=4 1675 B9R0.7 O=C([O-])CCC(O)C(=O)[O-] MCULE-4348197971 [0,0,0,0,0,2|0,0,2]=4 1676 B9R0.7 O=C([O-])CC[C@@H](O)C(=O)[O-] MCULE-2376048296 [0,0,0,0,0,2|0,0,2]=4 1677 B9R0.7 O=C([O-])CC[C@@H](O)C(=O)[O-] MCULE-3046517186 [0,0,0,0,0,2|0,0,2]=4 1678 B9R0.7 O=C([O-])CC[C@H](O)C(=O)[O-] MCULE-2350068178 [0,0,0,0,0,2|0,0,2]=4 1679 B9R0.7 O=C([O-])CC[C@H](O)C(=O)[O-] MCULE-8971415546 [0,0,0,0,0,2|0,0,2]=4 1680 B9R0.7 P(=O)(O)CC[C@H](N)C(=O)O MCULE-2875179933 [0,0,0,0,0,2|2,0,0]=4 1681 B9R0.7 [C@H](N)(CCC(=O)O)C(=O)N MCULE-1881473683 [0,0,0,0,0,2|2,0,0]=4 1682 B9R0.7 [C@H](N)(CCC(=O)O)C(=O)O MCULE-8526087521 [0,0,0,0,0,2|1,0,0]=3 1683 B9R0.7 [C@H](O)(CCC(=O)O)C(=O)O MCULE-8564542509 [0,0,0,0,0,2|0,0,0]=2 1684 B9R0.53 C/C(=C\C(=O)O)/CC(=O)O MCULE-1345660635 [0,0,0,0,0,2|1,0,1]=4 1685 B9R0.53 CC(=CC(=O)O)CC(=O)O MCULE-8165055939 [0,0,0,0,0,2|1,0,1]=4 1686 B9R0.53 CC(=O)NC(C)CC(=O)O MCULE-8603148812 [0,0,0,0,0,2|2,0,0]=4 1687 B9R0.53 CC(CC(=O)O)CC(=O)O MCULE-7399673381 [0,0,0,0,0,2|1,0,0]=3 1688 B9R0.53 CC(CC(=O)O)NC(=O)N MCULE-2917505998 [0,0,0,0,0,2|2,0,0]=4 1689 B9R0.53 CN(CC(=O)O)CC(=O)O MCULE-6535937676 [0,0,0,0,0,2|2,0,0]=4 1690 B9R0.53 CN(CC(=O)O)CC(=O)O MCULE-9119313390 [0,0,0,0,0,2|2,0,0]=4 1691 B9R0.53 NC(CC(=O)O)CC(=O)O MCULE-4205352281 [0,0,0,0,0,2|1,0,0]=3 1692 B9R0.53 NC(CC(=O)O)CC(=O)O MCULE-5754399431 [0,0,0,0,0,2|1,0,0]=3 1693 B9R0.53 NN(CC(=O)O)CC(=O)O MCULE-6707699178 [0,0,0,0,0,2|2,0,0]=4 1694 B9R0.53 O=C(O)C=C(Cl)CC(=O)O MCULE-4643738898 [0,0,0,0,0,2|1,0,1]=4 1695 B9R0.53 O=C(O)CC(=O)CC(=O)O MCULE-7760127170 [0,0,0,0,0,2|0,0,2]=4 1696 B9R0.53 O=C(O)CC(O)CC(=O)O MCULE-7670149511 [0,0,0,0,0,2|0,0,0]=2 1697 B9R0.53 O=C(O)CS(=O)CC(=O)O MCULE-8117628584 [0,0,0,0,0,2|1,0,1]=4