0 B5R0.5 BrC(=C(Br)Br)Br MCULE-2234969188 [0,0,0,0,0,0|4,0,0]=4 1 B5R0.5 C=C(Br)C(=O)O MCULE-2068246942 [0,0,0,0,0,0|2,0,0]=2 2 B5R0.5 C=C(C)B(O)O MCULE-1381151629 [0,0,0,0,0,0|3,0,1]=4 3 B5R0.5 C=C(C)C(=C)C MCULE-6799765242 [0,0,0,0,0,0|4,0,0]=4 4 B5R0.5 C=C(C)C(=O)C MCULE-5872425076 [0,0,0,0,0,0|3,0,0]=3 5 B5R0.5 C=C(C)C(=O)Cl MCULE-9163474336 [0,0,0,0,0,0|3,0,0]=3 6 B5R0.5 C=C(C)C(=O)N MCULE-3416322097 [0,0,0,0,0,0|3,0,0]=3 7 B5R0.5 C=C(C)C(=O)O MCULE-9899621926 [0,0,0,0,0,0|2,0,0]=2 8 B5R0.5 C=C(C)C(=O)[O-] MCULE-5299174444 [0,0,0,0,0,0|2,0,1]=3 9 B5R0.5 C=C(C)C(=O)[O-] MCULE-7320418926 [0,0,0,0,0,0|2,0,1]=3 10 B5R0.5 C=C(C)C(=O)[O-] MCULE-7347881815 [0,0,0,0,0,0|2,0,1]=3 11 B5R0.5 C=C(C)C(C)O MCULE-3768810742 [0,0,0,0,0,0|3,0,1]=4 12 B5R0.5 C=C(Cl)C(=O)O MCULE-8316225208 [0,0,0,0,0,0|2,0,0]=2 13 B5R0.5 C=C(F)C(=O)Cl MCULE-6769824615 [0,0,0,0,0,0|3,0,0]=3 14 B5R0.5 C=C(F)C(=O)O MCULE-7137929861 [0,0,0,0,0,0|2,0,0]=2 15 B5R0.5 C=C(F)C(=O)[O-] MCULE-1806853701 [0,0,0,0,0,0|2,0,1]=3 16 B5R0.5 CC(=C(C)Br)C MCULE-2244219065 [0,0,0,0,0,0|4,0,0]=4 17 B5R0.5 CC(=C(C)C)C MCULE-2888318026 [0,0,0,0,0,0|4,0,0]=4 18 B5R0.5 CC(=O)C(=O)C MCULE-5742661187 [0,0,0,0,0,0|2,0,0]=2 19 B5R0.5 CC(=O)C(=O)Cl MCULE-3413498860 [0,0,0,0,0,0|2,0,0]=2 20 B5R0.5 CC(=O)C(=O)N MCULE-6804734996 [0,0,0,0,0,0|2,0,0]=2 21 B5R0.5 CC(=O)C(=O)O MCULE-8587144313 [0,0,0,0,0,0|1,0,0]=1 22 B5R0.5 CC(=O)C(=O)[O-] MCULE-2773521709 [0,0,0,0,0,0|1,0,1]=2 23 B5R0.5 CC(=O)C(=O)[O-] MCULE-7007482346 [0,0,0,0,0,0|1,0,1]=2 24 B5R0.5 CC(=O)C(=O)[O-] MCULE-8344520452 [0,0,0,0,0,0|1,0,1]=2 25 B5R0.5 CC(=O)C(=S)N MCULE-3142518834 [0,0,0,0,0,0|2,1,0]=3 26 B5R0.5 CC(=O)C(C)Br MCULE-3764525199 [0,0,0,0,0,0|3,0,1]=4 27 B5R0.5 CC(=O)C(C)C MCULE-5982732938 [0,0,0,0,0,0|3,0,1]=4 28 B5R0.5 CC(=O)C(C)Cl MCULE-5065840606 [0,0,0,0,0,0|3,0,1]=4 29 B5R0.5 CC(=O)C(C)F MCULE-2129925918 [0,0,0,0,0,0|3,0,1]=4 30 B5R0.5 CC(=O)C(C)N MCULE-5716124999 [0,0,0,0,0,0|3,0,1]=4 31 B5R0.5 CC(=O)C(C)N MCULE-9248002534 [0,0,0,0,0,0|3,0,1]=4 32 B5R0.5 CC(=O)C(C)O MCULE-5374414264 [0,0,0,0,0,0|2,0,1]=3 33 B5R0.5 CC(=O)C(C)S MCULE-2716722148 [0,0,0,0,0,0|2,1,1]=4 34 B5R0.5 CC(=O)C(Cl)Cl MCULE-9043899746 [0,0,0,0,0,0|3,0,1]=4 35 B5R0.5 CC(=O)C(F)F MCULE-9206168077 [0,0,0,0,0,0|3,0,1]=4 36 B5R0.5 CC(=O)N(C)C MCULE-4256511309 [0,0,0,0,0,0|4,0,0]=4 37 B5R0.5 CC(=O)N(C)N MCULE-2447375293 [0,0,0,0,0,0|4,0,0]=4 38 B5R0.5 CC(=O)[C@H](C)N MCULE-2609095078 [0,0,0,0,0,0|3,0,1]=4 39 B5R0.5 CC(=O)[C@H](C)N MCULE-6039921944 [0,0,0,0,0,0|3,0,1]=4 40 B5R0.5 CC(=O)[C@H](C)N MCULE-6387613992 [0,0,0,0,0,0|3,0,1]=4 41 B5R0.5 CC(=O)[C@H](C)N MCULE-7052375323 [0,0,0,0,0,0|3,0,1]=4 42 B5R0.5 CC(Br)C(=O)Br MCULE-2400047844 [0,0,0,0,0,0|3,0,1]=4 43 B5R0.5 CC(Br)C(=O)Cl MCULE-7431871683 [0,0,0,0,0,0|3,0,1]=4 44 B5R0.5 CC(Br)C(=O)N MCULE-9226586148 [0,0,0,0,0,0|3,0,1]=4 45 B5R0.5 CC(Br)C(=O)O MCULE-3935837943 [0,0,0,0,0,0|2,0,1]=3 46 B5R0.5 CC(Br)C(=O)O MCULE-6068441065 [0,0,0,0,0,0|2,0,1]=3 47 B5R0.5 CC(C)C(=O)Br MCULE-3679003896 [0,0,0,0,0,0|3,0,1]=4 48 B5R0.5 CC(C)C(=O)Cl MCULE-6582236331 [0,0,0,0,0,0|3,0,1]=4 49 B5R0.5 CC(C)C(=O)N MCULE-9773835068 [0,0,0,0,0,0|3,0,1]=4 50 B5R0.5 CC(C)C(=O)O MCULE-7783770647 [0,0,0,0,0,0|2,0,1]=3 51 B5R0.5 CC(C)C(=O)S MCULE-9552406593 [0,0,0,0,0,0|2,1,1]=4 52 B5R0.5 CC(C)S(=O)O MCULE-5200056082 [0,0,0,0,0,0|3,0,1]=4 53 B5R0.5 CC(Cl)C(=O)Cl MCULE-6547241717 [0,0,0,0,0,0|3,0,1]=4 54 B5R0.5 CC(Cl)C(=O)N MCULE-5322078211 [0,0,0,0,0,0|3,0,1]=4 55 B5R0.5 CC(Cl)C(=O)O MCULE-3597230803 [0,0,0,0,0,0|2,0,1]=3 56 B5R0.5 CC(Cl)C(=O)O MCULE-5449120618 [0,0,0,0,0,0|2,0,1]=3 57 B5R0.5 CC(F)C(=O)O MCULE-7334922730 [0,0,0,0,0,0|2,0,1]=3 58 B5R0.5 CC(I)C(=O)N MCULE-8608495554 [0,0,0,0,0,0|3,0,1]=4 59 B5R0.5 CC(N)C(=O)N MCULE-1264398810 [0,0,0,0,0,0|3,0,1]=4 60 B5R0.5 CC(N)C(=O)N MCULE-2251123672 [0,0,0,0,0,0|3,0,1]=4 61 B5R0.5 CC(N)C(=O)N MCULE-2273926073 [0,0,0,0,0,0|3,0,1]=4 62 B5R0.5 CC(N)C(=O)N MCULE-5340923071 [0,0,0,0,0,0|3,0,1]=4 63 B5R0.5 CC(N)C(=O)N MCULE-6061233032 [0,0,0,0,0,0|3,0,1]=4 64 B5R0.5 CC(N)C(=O)N MCULE-9273221837 [0,0,0,0,0,0|3,0,1]=4 65 B5R0.5 CC(N)C(=O)O MCULE-3498369789 [0,0,0,0,0,0|2,0,1]=3 66 B5R0.5 CC(N)C(=O)O MCULE-3809839392 [0,0,0,0,0,0|2,0,1]=3 67 B5R0.5 CC(N)C(=O)O MCULE-4751903561 [0,0,0,0,0,0|2,0,1]=3 68 B5R0.5 CC(N)C(=O)O MCULE-6963397848 [0,0,0,0,0,0|2,0,1]=3 69 B5R0.5 CC(O)C(=N)N MCULE-4358846536 [0,0,0,0,0,0|3,0,1]=4 70 B5R0.5 CC(O)C(=N)N MCULE-5644516205 [0,0,0,0,0,0|3,0,1]=4 71 B5R0.5 CC(O)C(=O)N MCULE-6247123668 [0,0,0,0,0,0|2,0,1]=3 72 B5R0.5 CC(O)C(=O)N MCULE-7823792358 [0,0,0,0,0,0|2,0,1]=3 73 B5R0.5 CC(O)C(=O)O MCULE-3922256529 [0,0,0,0,0,0|1,0,1]=2 74 B5R0.5 CC(O)C(=O)O MCULE-5387110670 [0,0,0,0,0,0|1,0,1]=2 75 B5R0.5 CC(O)C(=O)[O-] MCULE-1056716990 [0,0,0,0,0,0|1,0,2]=3 76 B5R0.5 CC(O)C(=O)[O-] MCULE-8184872865 [0,0,0,0,0,0|1,0,2]=3 77 B5R0.5 CC(O)C(=O)[O-] MCULE-8730993694 [0,0,0,0,0,0|1,0,2]=3 78 B5R0.5 CC(O)C(C)O MCULE-2858785316 [0,0,0,0,0,0|2,0,2]=4 79 B5R0.5 CC(S)C(=O)N MCULE-1465182001 [0,0,0,0,0,0|2,1,1]=4 80 B5R0.5 CC(S)C(=O)O MCULE-6944738352 [0,0,0,0,0,0|1,1,1]=3 81 B5R0.5 CN(C)C(=O)Cl MCULE-1738506605 [0,0,0,0,0,0|4,0,0]=4 82 B5R0.5 CN(C)C(=O)N MCULE-3142720631 [0,0,0,0,0,0|4,0,0]=4 83 B5R0.5 CN(C)C(=O)O MCULE-1039144559 [0,0,0,0,0,0|3,0,0]=3 84 B5R0.5 CN(C)C(=O)[O-] MCULE-5405204721 [0,0,0,0,0,0|3,0,1]=4 85 B5R0.5 CN(N)C(=O)N MCULE-9114734246 [0,0,0,0,0,0|4,0,0]=4 86 B5R0.5 C[C@@H](Br)C(=O)O MCULE-8303539222 [0,0,0,0,0,0|2,0,1]=3 87 B5R0.5 C[C@@H](Br)C(=O)O MCULE-8530283309 [0,0,0,0,0,0|2,0,1]=3 88 B5R0.5 C[C@@H](Cl)C(=O)Cl MCULE-3579498695 [0,0,0,0,0,0|3,0,1]=4 89 B5R0.5 C[C@@H](Cl)C(=O)O MCULE-6578788045 [0,0,0,0,0,0|2,0,1]=3 90 B5R0.5 C[C@@H](Cl)C(=O)O MCULE-8314108697 [0,0,0,0,0,0|2,0,1]=3 91 B5R0.5 C[C@@H](F)C(=O)N MCULE-1505685009 [0,0,0,0,0,0|3,0,1]=4 92 B5R0.5 C[C@@H](N)C(=O)N MCULE-4677983549 [0,0,0,0,0,0|3,0,1]=4 93 B5R0.5 C[C@@H](N)C(=O)N MCULE-6112443507 [0,0,0,0,0,0|3,0,1]=4 94 B5R0.5 C[C@@H](N)C(=O)N MCULE-7940270709 [0,0,0,0,0,0|3,0,1]=4 95 B5R0.5 C[C@@H](N)C(=O)N MCULE-8482332558 [0,0,0,0,0,0|3,0,1]=4 96 B5R0.5 C[C@@H](N)C(=O)O MCULE-3571488623 [0,0,0,0,0,0|2,0,1]=3 97 B5R0.5 C[C@@H](N)C(=O)O MCULE-9756365751 [0,0,0,0,0,0|2,0,1]=3 98 B5R0.5 C[C@@H](O)C(=N)N MCULE-1498978023 [0,0,0,0,0,0|3,0,1]=4 99 B5R0.5 C[C@@H](O)C(=N)N MCULE-6124491136 [0,0,0,0,0,0|3,0,1]=4 100 B5R0.5 C[C@@H](O)C(=N)N MCULE-7410387081 [0,0,0,0,0,0|3,0,1]=4 101 B5R0.5 C[C@@H](O)C(=N)N MCULE-9566288141 [0,0,0,0,0,0|3,0,1]=4 102 B5R0.5 C[C@@H](O)C(=O)N MCULE-2026557726 [0,0,0,0,0,0|2,0,1]=3 103 B5R0.5 C[C@@H](O)C(=O)N MCULE-8056291801 [0,0,0,0,0,0|2,0,1]=3 104 B5R0.5 C[C@@H](O)C(=O)O MCULE-4625208788 [0,0,0,0,0,0|1,0,1]=2 105 B5R0.5 C[C@@H](O)C(=O)O MCULE-9141235095 [0,0,0,0,0,0|1,0,1]=2 106 B5R0.5 C[C@@H](O)C(=O)[O-] MCULE-5673591667 [0,0,0,0,0,0|1,0,2]=3 107 B5R0.5 C[C@@H](O)C(=O)[O-] MCULE-8146434340 [0,0,0,0,0,0|1,0,2]=3 108 B5R0.5 C[C@@H](O)C(=O)[O-] MCULE-9026662277 [0,0,0,0,0,0|1,0,2]=3 109 B5R0.5 C[C@@H](O)[C@@H](C)O MCULE-2843927827 [0,0,0,0,0,0|2,0,2]=4 110 B5R0.5 C[C@@H](O)[C@@H](C)O MCULE-3739961672 [0,0,0,0,0,0|2,0,2]=4 111 B5R0.5 C[C@@H](O)[C@@H](C)O MCULE-5488313047 [0,0,0,0,0,0|2,0,2]=4 112 B5R0.5 C[C@H](Br)C(=O)Cl MCULE-2960953088 [0,0,0,0,0,0|3,0,1]=4 113 B5R0.5 C[C@H](Br)C(=O)O MCULE-4788730445 [0,0,0,0,0,0|2,0,1]=3 114 B5R0.5 C[C@H](Br)C(=O)O MCULE-9354978281 [0,0,0,0,0,0|2,0,1]=3 115 B5R0.5 C[C@H](Cl)C(=O)O MCULE-4816831649 [0,0,0,0,0,0|2,0,1]=3 116 B5R0.5 C[C@H](Cl)C(=O)O MCULE-8389122613 [0,0,0,0,0,0|2,0,1]=3 117 B5R0.5 C[C@H](F)C(=O)N MCULE-7457242428 [0,0,0,0,0,0|3,0,1]=4 118 B5R0.5 C[C@H](N)C(=O)N MCULE-4716963408 [0,0,0,0,0,0|3,0,1]=4 119 B5R0.5 C[C@H](N)C(=O)N MCULE-6879702251 [0,0,0,0,0,0|3,0,1]=4 120 B5R0.5 C[C@H](N)C(=O)N MCULE-7090555441 [0,0,0,0,0,0|3,0,1]=4 121 B5R0.5 C[C@H](N)C(=O)N MCULE-7293369315 [0,0,0,0,0,0|3,0,1]=4 122 B5R0.5 C[C@H](N)C(=O)N MCULE-7341432132 [0,0,0,0,0,0|3,0,1]=4 123 B5R0.5 C[C@H](N)C(=O)N MCULE-7556063213 [0,0,0,0,0,0|3,0,1]=4 124 B5R0.5 C[C@H](N)C(=O)N MCULE-8320991932 [0,0,0,0,0,0|3,0,1]=4 125 B5R0.5 C[C@H](N)C(=O)N MCULE-8491573930 [0,0,0,0,0,0|3,0,1]=4 126 B5R0.5 C[C@H](N)C(=O)O MCULE-4916719758 [0,0,0,0,0,0|2,0,1]=3 127 B5R0.5 C[C@H](N)C(=O)O MCULE-5261590548 [0,0,0,0,0,0|2,0,1]=3 128 B5R0.5 C[C@H](N)C(=O)O MCULE-7791919887 [0,0,0,0,0,0|2,0,1]=3 129 B5R0.5 C[C@H](N)C(=O)O MCULE-8724854497 [0,0,0,0,0,0|2,0,1]=3 130 B5R0.5 C[C@H](O)C(=O)N MCULE-8400190365 [0,0,0,0,0,0|2,0,1]=3 131 B5R0.5 C[C@H](O)C(=O)O MCULE-5695391344 [0,0,0,0,0,0|1,0,1]=2 132 B5R0.5 C[C@H](O)C(=O)O MCULE-8864689875 [0,0,0,0,0,0|1,0,1]=2 133 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-1034285072 [0,0,0,0,0,0|1,0,2]=3 134 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-3598405830 [0,0,0,0,0,0|1,0,2]=3 135 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-7525689298 [0,0,0,0,0,0|1,0,2]=3 136 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-8057429776 [0,0,0,0,0,0|1,0,2]=3 137 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-8729310894 [0,0,0,0,0,0|1,0,2]=3 138 B5R0.5 C[C@H](O)[C@@H](C)O MCULE-8389904530 [0,0,0,0,0,0|2,0,2]=4 139 B5R0.5 C[C@H](O)[C@H](C)O MCULE-8448870055 [0,0,0,0,0,0|2,0,2]=4 140 B5R0.5 C[C@H](O)[C@H](C)O MCULE-9615630900 [0,0,0,0,0,0|2,0,2]=4 141 B5R0.5 ClC(=C(Cl)Cl)Cl MCULE-3770837074 [0,0,0,0,0,0|4,0,0]=4 142 B5R0.5 FC(=C(Br)Br)F MCULE-6247552222 [0,0,0,0,0,0|4,0,0]=4 143 B5R0.5 FC(=C(Cl)Br)F MCULE-3640863998 [0,0,0,0,0,0|4,0,0]=4 144 B5R0.5 FC(=C(Cl)Cl)Cl MCULE-1105750110 [0,0,0,0,0,0|4,0,0]=4 145 B5R0.5 FC(=C(Cl)Cl)F MCULE-9255334051 [0,0,0,0,0,0|4,0,0]=4 146 B5R0.5 FC(=C(F)Br)Br MCULE-3490723756 [0,0,0,0,0,0|4,0,0]=4 147 B5R0.5 FC(=C(F)Cl)F MCULE-2431934098 [0,0,0,0,0,0|4,0,0]=4 148 B5R0.5 FC(=C(F)I)F MCULE-8120152416 [0,0,0,0,0,0|4,0,0]=4 149 B5R0.5 IC(=C(I)I)I MCULE-1209006503 [0,0,0,0,0,0|4,0,0]=4 150 B5R0.5 N=C(N)S(=O)O MCULE-7034022108 [0,0,0,0,0,0|3,0,0]=3 151 B5R0.5 NC(=O)C(=O)N MCULE-9024594322 [0,0,0,0,0,0|2,0,0]=2 152 B5R0.5 NC(=O)C(=O)O MCULE-4442165428 [0,0,0,0,0,0|1,0,0]=1 153 B5R0.5 NC(=O)C(=O)[O-] MCULE-6520154385 [0,0,0,0,0,0|1,0,1]=2 154 B5R0.5 NC(=O)C(=O)[O-] MCULE-9489956613 [0,0,0,0,0,0|1,0,1]=2 155 B5R0.5 NC(=O)C(Cl)Br MCULE-9082770089 [0,0,0,0,0,0|3,0,1]=4 156 B5R0.5 NC(=O)C(Cl)Cl MCULE-3389337354 [0,0,0,0,0,0|3,0,1]=4 157 B5R0.5 NC(=O)C(F)Br MCULE-8795303515 [0,0,0,0,0,0|3,0,1]=4 158 B5R0.5 NC(=O)C(F)Cl MCULE-4267127037 [0,0,0,0,0,0|3,0,1]=4 159 B5R0.5 NC(=O)C(F)F MCULE-7881392368 [0,0,0,0,0,0|3,0,1]=4 160 B5R0.5 NC(=O)C(F)I MCULE-6067421301 [0,0,0,0,0,0|3,0,1]=4 161 B5R0.5 NC(=S)C(=S)N MCULE-3109255800 [0,0,0,0,0,0|2,2,0]=4 162 B5R0.5 NC(O)C(=O)O MCULE-6546070388 [0,0,0,0,0,0|1,0,1]=2 163 B5R0.5 O=C(Br)C(=O)Br MCULE-6502494359 [0,0,0,0,0,0|2,0,0]=2 164 B5R0.5 O=C(Cl)C(=O)Cl MCULE-7263932124 [0,0,0,0,0,0|2,0,0]=2 165 B5R0.5 O=C(Cl)C(Cl)Cl MCULE-2883143305 [0,0,0,0,0,0|3,0,1]=4 166 B5R0.5 O=C(Cl)C(F)Cl MCULE-1579940277 [0,0,0,0,0,0|3,0,1]=4 167 B5R0.5 O=C(Cl)C(F)F MCULE-6700400389 [0,0,0,0,0,0|3,0,1]=4 168 B5R0.5 O=C(F)C(F)F MCULE-6722746663 [0,0,0,0,0,0|3,0,1]=4 169 B5R0.5 O=C(O)C(=O)O MCULE-2859436444 [0,0,0,0,0,0|0,0,0]=0 170 B5R0.5 O=C(O)C(=O)O MCULE-3054574273 [0,0,0,0,0,0|0,0,0]=0 171 B5R0.5 O=C(O)C(=O)O MCULE-4285591204 [0,0,0,0,0,0|0,0,0]=0 172 B5R0.5 O=C(O)C(=O)O MCULE-4461843798 [0,0,0,0,0,0|0,0,0]=0 173 B5R0.5 O=C(O)C(=O)O MCULE-6031758101 [0,0,0,0,0,0|0,0,0]=0 174 B5R0.5 O=C(O)C(=O)O MCULE-6647815245 [0,0,0,0,0,0|0,0,0]=0 175 B5R0.5 O=C(O)C(=O)O MCULE-7895971003 [0,0,0,0,0,0|0,0,0]=0 176 B5R0.5 O=C(O)C(=O)O MCULE-8046063377 [0,0,0,0,0,0|0,0,0]=0 177 B5R0.5 O=C(O)C(=O)O MCULE-8198551041 [0,0,0,0,0,0|0,0,0]=0 178 B5R0.5 O=C(O)C(=O)O MCULE-8472527874 [0,0,0,0,0,0|0,0,0]=0 179 B5R0.5 O=C(O)C(=O)O MCULE-9701145416 [0,0,0,0,0,0|0,0,0]=0 180 B5R0.5 O=C(O)C(Br)Br MCULE-4908900588 [0,0,0,0,0,0|2,0,1]=3 181 B5R0.5 O=C(O)C(Cl)Br MCULE-4569127340 [0,0,0,0,0,0|2,0,1]=3 182 B5R0.5 O=C(O)C(Cl)Cl MCULE-1246638159 [0,0,0,0,0,0|2,0,1]=3 183 B5R0.5 O=C(O)C(F)Br MCULE-5639771935 [0,0,0,0,0,0|2,0,1]=3 184 B5R0.5 O=C(O)C(F)Cl MCULE-8791727704 [0,0,0,0,0,0|2,0,1]=3 185 B5R0.5 O=C(O)C(F)F MCULE-9791449975 [0,0,0,0,0,0|2,0,1]=3 186 B5R0.5 O=C(O)C(F)I MCULE-2596137309 [0,0,0,0,0,0|2,0,1]=3 187 B5R0.5 O=C(O)C(O)O MCULE-8045135900 [0,0,0,0,0,0|0,0,2]=2 188 B5R0.5 O=C(O)[C@@H](F)Cl MCULE-9934674808 [0,0,0,0,0,0|2,0,1]=3 189 B5R0.5 O=C(O)[C@H](F)Cl MCULE-8184552815 [0,0,0,0,0,0|2,0,1]=3 190 B5R0.5 O=C([O-])C(=O)[O-] MCULE-1850167183 [0,0,0,0,0,0|0,0,2]=2 191 B5R0.5 O=C([O-])C(=O)[O-] MCULE-2102182772 [0,0,0,0,0,0|0,0,2]=2 192 B5R0.5 O=C([O-])C(=O)[O-] MCULE-2594600365 [0,0,0,0,0,0|0,0,2]=2 193 B5R0.5 O=C([O-])C(=O)[O-] MCULE-2876490980 [0,0,0,0,0,0|0,0,2]=2 194 B5R0.5 O=C([O-])C(=O)[O-] MCULE-4875218588 [0,0,0,0,0,0|0,0,2]=2 195 B5R0.5 O=C([O-])C(=O)[O-] MCULE-6598296804 [0,0,0,0,0,0|0,0,2]=2 196 B5R0.5 O=C([O-])C(=O)[O-] MCULE-6729461006 [0,0,0,0,0,0|0,0,2]=2 197 B5R0.5 O=C([O-])C(=O)[O-] MCULE-7607695802 [0,0,0,0,0,0|0,0,2]=2 198 B5R0.5 O=C([O-])C(F)Br MCULE-3214706920 [0,0,0,0,0,0|2,0,2]=4 199 B5R0.5 O=C([O-])C(F)Cl MCULE-6121365584 [0,0,0,0,0,0|2,0,2]=4 200 B5R0.5 O=C([O-])C(F)I MCULE-5263796115 [0,0,0,0,0,0|2,0,2]=4 201 B5R0.5 O=S(O)C(F)F MCULE-6110273161 [0,0,0,0,0,0|3,0,1]=4 202 B5R0.5 O=S([O-])S(=O)[O-] MCULE-3262145301 [0,0,0,0,0,0|2,0,2]=4 203 B5R0.5 O=S([O-])S(=O)[O-] MCULE-7235477476 [0,0,0,0,0,0|2,0,2]=4 204 B5R0.5 OB(O)B(O)O MCULE-4651285370 [0,0,0,0,0,0|2,0,2]=4 205 B5R0.5 [C@@H](C)(O)C(=O)N MCULE-6953360641 [0,0,0,0,0,0|2,0,1]=3 206 B4R0.1 BrC=C(Br)Br MCULE-9536958233 [1,0,0,0,0,0|3,0,0]=4 207 B4R0.1 C#CC(=O)C MCULE-1296030711 [1,0,0,0,0,0|2,0,1]=4 208 B4R0.1 C#CC(=O)N MCULE-1832868146 [1,0,0,0,0,0|2,0,1]=4 209 B4R0.1 C#CC(=O)O MCULE-8764256624 [1,0,0,0,0,0|1,0,1]=3 210 B4R0.1 C#CC(=O)[O-] MCULE-3356498679 [1,0,0,0,0,0|1,0,2]=4 211 B4R0.1 C#CC(=O)[O-] MCULE-3490087346 [1,0,0,0,0,0|1,0,2]=4 212 B4R0.1 C/C(=N/O)/N MCULE-5595239824 [1,0,0,0,0,0|3,0,0]=4 213 B4R0.1 C/C(=N\O)/N MCULE-8004142092 [1,0,0,0,0,0|3,0,0]=4 214 B4R0.1 C/C=C(/C)\Cl MCULE-6841426098 [1,0,0,0,0,0|3,0,0]=4 215 B4R0.1 C/C=C(\C)/Br MCULE-3045523462 [1,0,0,0,0,0|3,0,0]=4 216 B4R0.1 C/C=C(\C)/Cl MCULE-4683862502 [1,0,0,0,0,0|3,0,0]=4 217 B4R0.1 C=C(Br)C=O MCULE-9500973388 [1,0,0,0,0,0|2,0,0]=3 218 B4R0.1 C=C(Br)CO MCULE-7763893047 [1,0,0,0,0,0|2,0,1]=4 219 B4R0.1 C=C(C)C=O MCULE-3758355501 [1,0,0,0,0,0|2,0,0]=3 220 B4R0.1 C=C(C)CO MCULE-8641288398 [1,0,0,0,0,0|2,0,1]=4 221 B4R0.1 C=C(Cl)CO MCULE-8813337564 [1,0,0,0,0,0|2,0,1]=4 222 B4R0.1 C=C(F)CO MCULE-2779963696 [1,0,0,0,0,0|2,0,1]=4 223 B4R0.1 C=C(I)CO MCULE-2533897125 [1,0,0,0,0,0|2,0,1]=4 224 B4R0.1 C=CB(O)O MCULE-2531600001 [1,0,0,0,0,0|2,0,1]=4 225 B4R0.1 C=CC(=C)C MCULE-1668999564 [1,0,0,0,0,0|3,0,0]=4 226 B4R0.1 C=CC(=O)C MCULE-4924646293 [1,0,0,0,0,0|2,0,0]=3 227 B4R0.1 C=CC(=O)Cl MCULE-3579233798 [1,0,0,0,0,0|2,0,0]=3 228 B4R0.1 C=CC(=O)N MCULE-4309430654 [1,0,0,0,0,0|2,0,0]=3 229 B4R0.1 C=CC(=O)O MCULE-9352227082 [1,0,0,0,0,0|1,0,0]=2 230 B4R0.1 C=CC(=O)[O-] MCULE-3928960314 [1,0,0,0,0,0|1,0,1]=3 231 B4R0.1 C=CC(=O)[O-] MCULE-4331301308 [1,0,0,0,0,0|1,0,1]=3 232 B4R0.1 C=CC(=O)[O-] MCULE-5516854555 [1,0,0,0,0,0|1,0,1]=3 233 B4R0.1 C=CC(C)O MCULE-4525368256 [1,0,0,0,0,0|2,0,1]=4 234 B4R0.1 C=CN(=O)=O MCULE-1988475489 [1,0,0,0,0,0|2,0,1]=4 235 B4R0.1 C=C[C@H](C)O MCULE-2251589245 [1,0,0,0,0,0|2,0,1]=4 236 B4R0.1 CC(=CBr)C MCULE-9508381610 [1,0,0,0,0,0|3,0,0]=4 237 B4R0.1 CC(=CCl)C MCULE-4321554138 [1,0,0,0,0,0|3,0,0]=4 238 B4R0.1 CC(=CCl)Cl MCULE-3528888685 [1,0,0,0,0,0|3,0,0]=4 239 B4R0.1 CC(=NO)C MCULE-3243100216 [1,0,0,0,0,0|3,0,0]=4 240 B4R0.1 CC(=O)C#N MCULE-6317771757 [1,0,0,0,0,0|2,0,1]=4 241 B4R0.1 CC(=O)C=O MCULE-2718961814 [1,0,0,0,0,0|1,0,0]=2 242 B4R0.1 CC(=O)CBr MCULE-7812920675 [1,0,0,0,0,0|2,0,1]=4 243 B4R0.1 CC(=O)CCl MCULE-2501365933 [1,0,0,0,0,0|2,0,1]=4 244 B4R0.1 CC(=O)CF MCULE-7417279999 [1,0,0,0,0,0|2,0,1]=4 245 B4R0.1 CC(=O)CN MCULE-2715277783 [1,0,0,0,0,0|2,0,1]=4 246 B4R0.1 CC(=O)CN MCULE-6004541862 [1,0,0,0,0,0|2,0,1]=4 247 B4R0.1 CC(=O)CO MCULE-2989526028 [1,0,0,0,0,0|1,0,1]=3 248 B4R0.1 CC(=O)CS MCULE-9736174016 [1,0,0,0,0,0|1,1,1]=4 249 B4R0.1 CC(=O)NBr MCULE-6502070876 [1,0,0,0,0,0|3,0,0]=4 250 B4R0.1 CC(=O)NN MCULE-9183467120 [1,0,0,0,0,0|3,0,0]=4 251 B4R0.1 CC(=O)NO MCULE-2682231025 [1,0,0,0,0,0|2,0,0]=3 252 B4R0.1 CC(=O)OO MCULE-6028338742 [1,0,0,0,0,0|2,0,0]=3 253 B4R0.1 CC(Br)C=O MCULE-6060704330 [1,0,0,0,0,0|2,0,1]=4 254 B4R0.1 CC(C)C=O MCULE-3575731904 [1,0,0,0,0,0|2,0,1]=4 255 B4R0.1 CC(N)C=O MCULE-3421118418 [1,0,0,0,0,0|2,0,1]=4 256 B4R0.1 CC(O)CO MCULE-5574440784 [1,0,0,0,0,0|1,0,2]=4 257 B4R0.1 CC(O)CO MCULE-8743139013 [1,0,0,0,0,0|1,0,2]=4 258 B4R0.1 CC=C(C)Br MCULE-1371905211 [1,0,0,0,0,0|3,0,0]=4 259 B4R0.1 CC=C(C)C MCULE-4230157245 [1,0,0,0,0,0|3,0,0]=4 260 B4R0.1 CC=C(C)Cl MCULE-3844314543 [1,0,0,0,0,0|3,0,0]=4 261 B4R0.1 CC=C(Cl)Cl MCULE-3741261135 [1,0,0,0,0,0|3,0,0]=4 262 B4R0.1 CC=C(F)F MCULE-5544510852 [1,0,0,0,0,0|3,0,0]=4 263 B4R0.1 CCC(=O)Br MCULE-7870678619 [1,0,0,0,0,0|2,0,1]=4 264 B4R0.1 CCC(=O)C MCULE-8276670748 [1,0,0,0,0,0|2,0,1]=4 265 B4R0.1 CCC(=O)Cl MCULE-3081874391 [1,0,0,0,0,0|2,0,1]=4 266 B4R0.1 CCC(=O)F MCULE-8783887670 [1,0,0,0,0,0|2,0,1]=4 267 B4R0.1 CCC(=O)N MCULE-3730796130 [1,0,0,0,0,0|2,0,1]=4 268 B4R0.1 CCC(=O)O MCULE-2199051150 [1,0,0,0,0,0|1,0,1]=3 269 B4R0.1 CCC(=O)O MCULE-9800054040 [1,0,0,0,0,0|1,0,1]=3 270 B4R0.1 CCC(=O)S MCULE-3392119766 [1,0,0,0,0,0|1,1,1]=4 271 B4R0.1 CCC(=O)[O-] MCULE-6321502767 [1,0,0,0,0,0|1,0,2]=4 272 B4R0.1 CCS(=O)O MCULE-9872932319 [1,0,0,0,0,0|2,0,1]=4 273 B4R0.1 CN(C)C=O MCULE-6290117712 [1,0,0,0,0,0|3,0,0]=4 274 B4R0.1 CN(N)C=O MCULE-6353057165 [1,0,0,0,0,0|3,0,0]=4 275 B4R0.1 CNC(=O)C MCULE-2612997941 [1,0,0,0,0,0|3,0,0]=4 276 B4R0.1 CNC(=O)Cl MCULE-7743744606 [1,0,0,0,0,0|3,0,0]=4 277 B4R0.1 CNC(=O)N MCULE-6422331704 [1,0,0,0,0,0|3,0,0]=4 278 B4R0.1 COC(=O)C MCULE-7368066093 [1,0,0,0,0,0|3,0,0]=4 279 B4R0.1 COC(=O)Cl MCULE-8022274771 [1,0,0,0,0,0|3,0,0]=4 280 B4R0.1 COC(=O)N MCULE-4070607369 [1,0,0,0,0,0|3,0,0]=4 281 B4R0.1 CSC(=O)C MCULE-7061634598 [1,0,0,0,0,0|3,0,0]=4 282 B4R0.1 C[C@@H](O)C=O MCULE-5921136435 [1,0,0,0,0,0|1,0,1]=3 283 B4R0.1 C[C@@H](O)CO MCULE-4464598400 [1,0,0,0,0,0|1,0,2]=4 284 B4R0.1 C[C@@H](O)CO MCULE-9914833832 [1,0,0,0,0,0|1,0,2]=4 285 B4R0.1 C[C@H](O)CO MCULE-6582852191 [1,0,0,0,0,0|1,0,2]=4 286 B4R0.1 C[C@H](O)CO MCULE-8074793296 [1,0,0,0,0,0|1,0,2]=4 287 B4R0.1 ClC=C(Cl)Cl MCULE-3945953656 [1,0,0,0,0,0|3,0,0]=4 288 B4R0.1 FC(=CBr)F MCULE-5114290777 [1,0,0,0,0,0|3,0,0]=4 289 B4R0.1 FC=C(Br)Br MCULE-3150710627 [1,0,0,0,0,0|3,0,0]=4 290 B4R0.1 FC=C(F)F MCULE-2449532887 [1,0,0,0,0,0|3,0,0]=4 291 B4R0.1 N=C(N)CO MCULE-5146395919 [1,0,0,0,0,0|2,0,1]=4 292 B4R0.1 N=C(N)CO MCULE-8814507460 [1,0,0,0,0,0|2,0,1]=4 293 B4R0.1 N=C(N)NO MCULE-2554837832 [1,0,0,0,0,0|3,0,0]=4 294 B4R0.1 N=C(N)NO MCULE-5458374815 [1,0,0,0,0,0|3,0,0]=4 295 B4R0.1 N=C(N)NO MCULE-5913043834 [1,0,0,0,0,0|3,0,0]=4 296 B4R0.1 NC(=NO)N MCULE-7650923271 [1,0,0,0,0,0|3,0,0]=4 297 B4R0.1 NC(=O)CBr MCULE-9306090536 [1,0,0,0,0,0|2,0,1]=4 298 B4R0.1 NC(=O)CCl MCULE-3241549842 [1,0,0,0,0,0|2,0,1]=4 299 B4R0.1 NC(=O)CF MCULE-3344212657 [1,0,0,0,0,0|2,0,1]=4 300 B4R0.1 NC(=O)CI MCULE-4217973413 [1,0,0,0,0,0|2,0,1]=4 301 B4R0.1 NC(=O)CO MCULE-2739878376 [1,0,0,0,0,0|1,0,1]=3 302 B4R0.1 NC(=O)CS MCULE-2639305532 [1,0,0,0,0,0|1,1,1]=4 303 B4R0.1 NC(=O)NO MCULE-9465284053 [1,0,0,0,0,0|2,0,0]=3 304 B4R0.1 NC(=S)CO MCULE-9301705313 [1,0,0,0,0,0|1,1,1]=4 305 B4R0.1 NCC(=O)N MCULE-1048848056 [1,0,0,0,0,0|2,0,1]=4 306 B4R0.1 NCC(=O)N MCULE-2174395809 [1,0,0,0,0,0|2,0,1]=4 307 B4R0.1 NCC(=O)N MCULE-6113166250 [1,0,0,0,0,0|2,0,1]=4 308 B4R0.1 NCC(=O)O MCULE-2415764032 [1,0,0,0,0,0|1,0,1]=3 309 B4R0.1 NCC(=O)O MCULE-3643110755 [1,0,0,0,0,0|1,0,1]=3 310 B4R0.1 NCC(=O)O MCULE-4349255299 [1,0,0,0,0,0|1,0,1]=3 311 B4R0.1 NCC(=O)O MCULE-9146223615 [1,0,0,0,0,0|1,0,1]=3 312 B4R0.1 NCC(=O)O MCULE-9701991737 [1,0,0,0,0,0|1,0,1]=3 313 B4R0.1 NCC(=O)S MCULE-9837799864 [1,0,0,0,0,0|1,1,1]=4 314 B4R0.1 NCC(=O)[O-] MCULE-5975202378 [1,0,0,0,0,0|1,0,2]=4 315 B4R0.1 NNC(=O)N MCULE-3392559370 [1,0,0,0,0,0|3,0,0]=4 316 B4R0.1 NNC(=O)N MCULE-8490374775 [1,0,0,0,0,0|3,0,0]=4 317 B4R0.1 O=C(Br)CBr MCULE-6031858200 [1,0,0,0,0,0|2,0,1]=4 318 B4R0.1 O=C(Cl)CBr MCULE-7684029984 [1,0,0,0,0,0|2,0,1]=4 319 B4R0.1 O=C(Cl)CCl MCULE-7076914635 [1,0,0,0,0,0|2,0,1]=4 320 B4R0.1 O=C(Cl)CF MCULE-7182087882 [1,0,0,0,0,0|2,0,1]=4 321 B4R0.1 O=C(Cl)CI MCULE-5719121455 [1,0,0,0,0,0|2,0,1]=4 322 B4R0.1 O=C(Cl)SCl MCULE-5008011265 [1,0,0,0,0,0|3,0,0]=4 323 B4R0.1 O=C(O)CBr MCULE-1503716137 [1,0,0,0,0,0|1,0,1]=3 324 B4R0.1 O=C(O)CCl MCULE-9228754880 [1,0,0,0,0,0|1,0,1]=3 325 B4R0.1 O=C(O)CF MCULE-6584094437 [1,0,0,0,0,0|1,0,1]=3 326 B4R0.1 O=C(O)CI MCULE-3146792857 [1,0,0,0,0,0|1,0,1]=3 327 B4R0.1 O=C(O)CO MCULE-9792551388 [1,0,0,0,0,0|0,0,1]=2 328 B4R0.1 O=C(O)CS MCULE-8097997001 [1,0,0,0,0,0|0,1,1]=3 329 B4R0.1 O=C([O-])CF MCULE-8428965857 [1,0,0,0,0,0|1,0,2]=4 330 B4R0.1 O=C([O-])CO MCULE-2780567509 [1,0,0,0,0,0|0,0,2]=3 331 B4R0.1 O=C([O-])CS MCULE-3314809220 [1,0,0,0,0,0|0,1,2]=4 332 B4R0.1 O=C([O-])CS MCULE-5989133747 [1,0,0,0,0,0|0,1,2]=4 333 B4R0.1 O=CC(=O)O MCULE-5307898766 [1,0,0,0,0,0|0,0,0]=1 334 B4R0.1 O=CC(Cl)Cl MCULE-7925858204 [1,0,0,0,0,0|2,0,1]=4 335 B4R0.1 O=S(O)CO MCULE-4195832185 [1,0,0,0,0,0|1,0,1]=3 336 B4R0.1 O=S([O-])CO MCULE-5211722344 [1,0,0,0,0,0|1,0,2]=4 337 B4R0.1 ON=C(Br)Br MCULE-4053513648 [1,0,0,0,0,0|3,0,0]=4 338 B4R0.1 P(=O)(O)CN MCULE-5441171864 [1,0,0,0,0,0|2,0,1]=4 339 B6R0.3 C#CC(O)C(=O)O MCULE-4214673632 [0,1,0,0,0,0|1,0,1]=3 340 B6R0.3 C(C)(OC)C(=O)O MCULE-4852209230 [0,1,0,0,0,0|1,0,1]=3 341 B6R0.3 C(N)(CO)C(=O)N MCULE-5512645571 [0,1,0,0,0,0|2,0,1]=4 342 B6R0.3 C(N)(CO)C(=O)N MCULE-5852943337 [0,1,0,0,0,0|2,0,1]=4 343 B6R0.3 C/C=C(/C)\C(=O)O MCULE-2116066534 [0,1,0,0,0,0|2,0,0]=3 344 B6R0.3 C/C=C(\Br)/C(=O)O MCULE-5940308548 [0,1,0,0,0,0|2,0,0]=3 345 B6R0.3 C/C=C(\C)/C(=O)O MCULE-4890719796 [0,1,0,0,0,0|2,0,0]=3 346 B6R0.3 C/C=C(\O)/C(=O)O MCULE-9596699660 [0,1,0,0,0,0|1,0,0]=2 347 B6R0.3 C=C(Br)C(=O)OC MCULE-6192595524 [0,1,0,0,0,0|2,0,0]=3 348 B6R0.3 C=C(C#N)C(=O)O MCULE-1746285232 [0,1,0,0,0,0|2,0,0]=3 349 B6R0.3 C=C(C)C(=O)NC MCULE-9515227181 [0,1,0,0,0,0|3,0,0]=4 350 B6R0.3 C=C(C)C(=O)NN MCULE-5114453960 [0,1,0,0,0,0|3,0,0]=4 351 B6R0.3 C=C(C)C(=O)OC MCULE-9286083206 [0,1,0,0,0,0|2,0,0]=3 352 B6R0.3 C=C(CBr)C(=O)O MCULE-7257367588 [0,1,0,0,0,0|2,0,0]=3 353 B6R0.3 C=C(CC)C(=O)O MCULE-7335567367 [0,1,0,0,0,0|2,0,0]=3 354 B6R0.3 C=C(CO)C(=O)O MCULE-9731648602 [0,1,0,0,0,0|1,0,0]=2 355 B6R0.3 C=C(Cl)C(=O)OC MCULE-6494333767 [0,1,0,0,0,0|2,0,0]=3 356 B6R0.3 C=C(F)C(=O)OC MCULE-8485282148 [0,1,0,0,0,0|2,0,0]=3 357 B6R0.3 C=C(OC)C(=O)O MCULE-9965334560 [0,1,0,0,0,0|1,0,0]=2 358 B6R0.3 C=CC(=O)C(=O)O MCULE-9816982424 [0,1,0,0,0,0|1,0,0]=2 359 B6R0.3 C=CC(C)C(=O)O MCULE-7280145889 [0,1,0,0,0,0|2,0,1]=4 360 B6R0.3 C=CC(N)C(=O)O MCULE-2000511750 [0,1,0,0,0,0|2,0,1]=4 361 B6R0.3 C=CC(N)C(=O)O MCULE-7504415267 [0,1,0,0,0,0|2,0,1]=4 362 B6R0.3 C=CC(N)C(=O)O MCULE-9012490000 [0,1,0,0,0,0|2,0,1]=4 363 B6R0.3 C=CC(N)C(=O)O MCULE-9978294266 [0,1,0,0,0,0|2,0,1]=4 364 B6R0.3 C=CC(O)C(=O)O MCULE-3847595710 [0,1,0,0,0,0|1,0,1]=3 365 B6R0.3 C=C[C@@H](C)C(=O)O MCULE-9719548038 [0,1,0,0,0,0|2,0,1]=4 366 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-3678761806 [0,1,0,0,0,0|2,0,1]=4 367 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-6682447306 [0,1,0,0,0,0|2,0,1]=4 368 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-6779191781 [0,1,0,0,0,0|2,0,1]=4 369 B6R0.3 C=C[C@H](C)C(=O)O MCULE-1694697840 [0,1,0,0,0,0|2,0,1]=4 370 B6R0.3 C=C[C@H](C)C(=O)O MCULE-2601438258 [0,1,0,0,0,0|2,0,1]=4 371 B6R0.3 C=C[C@H](C)C(=O)O MCULE-6098133430 [0,1,0,0,0,0|2,0,1]=4 372 B6R0.3 C=C[C@H](N)C(=O)O MCULE-2657488498 [0,1,0,0,0,0|2,0,1]=4 373 B6R0.3 C=C[C@H](N)C(=O)O MCULE-5103456570 [0,1,0,0,0,0|2,0,1]=4 374 B6R0.3 C=C[C@H](N)C(=O)O MCULE-5936124947 [0,1,0,0,0,0|2,0,1]=4 375 B6R0.3 C=C[C@H](N)C(=O)O MCULE-9631686254 [0,1,0,0,0,0|2,0,1]=4 376 B6R0.3 CC(=C(C)CO)C MCULE-2852322197 [0,1,0,0,0,0|3,0,0]=4 377 B6R0.3 CC(=C(F)CO)C MCULE-3552996593 [0,1,0,0,0,0|3,0,0]=4 378 B6R0.3 CC(=CBr)C(=O)O MCULE-3682516046 [0,1,0,0,0,0|2,0,0]=3 379 B6R0.3 CC(=NO)C(=O)O MCULE-8264934008 [0,1,0,0,0,0|1,0,0]=2 380 B6R0.3 CC(=O)/C(=N/O)/C MCULE-2017881701 [0,1,0,0,0,0|2,0,0]=3 381 B6R0.3 CC(=O)/C(=N\O)/C MCULE-6814264333 [0,1,0,0,0,0|2,0,0]=3 382 B6R0.3 CC(=O)C(=NO)C MCULE-3626428375 [0,1,0,0,0,0|2,0,0]=3 383 B6R0.3 CC(=O)C(=NO)Cl MCULE-9930401042 [0,1,0,0,0,0|2,0,0]=3 384 B6R0.3 CC(=O)C(=O)CBr MCULE-8560925164 [0,1,0,0,0,0|2,0,0]=3 385 B6R0.3 CC(=O)C(=O)CCl MCULE-2778551811 [0,1,0,0,0,0|2,0,0]=3 386 B6R0.3 CC(=O)C(Br)C=O MCULE-6904531970 [0,1,0,0,0,0|2,0,1]=4 387 B6R0.3 CC(=O)C(C)C=O MCULE-7133682970 [0,1,0,0,0,0|2,0,1]=4 388 B6R0.3 CC(=O)C(C)CO MCULE-9026658672 [0,1,0,0,0,0|2,0,1]=4 389 B6R0.3 CC(=O)C(N)CO MCULE-4063057020 [0,1,0,0,0,0|2,0,1]=4 390 B6R0.3 CC(=O)[C@@H](N)CO MCULE-9046372356 [0,1,0,0,0,0|2,0,1]=4 391 B6R0.3 CC(C#N)C(=O)O MCULE-3302580561 [0,1,0,0,0,0|2,0,1]=4 392 B6R0.3 CC(C)C(=O)CO MCULE-8746789873 [0,1,0,0,0,0|2,0,1]=4 393 B6R0.3 CC(CBr)C(=O)O MCULE-1430003780 [0,1,0,0,0,0|2,0,1]=4 394 B6R0.3 CC(CF)C(=O)O MCULE-7390028409 [0,1,0,0,0,0|2,0,1]=4 395 B6R0.3 CC(CN)C(=O)O MCULE-5485986433 [0,1,0,0,0,0|2,0,1]=4 396 B6R0.3 CC(CN)C(=O)O MCULE-5638884438 [0,1,0,0,0,0|2,0,1]=4 397 B6R0.3 CC(CO)C(=O)O MCULE-2772009804 [0,1,0,0,0,0|1,0,1]=3 398 B6R0.3 CC(CO)C(=O)[O-] MCULE-6956620176 [0,1,0,0,0,0|1,0,2]=4 399 B6R0.3 CC(CS)C(=O)O MCULE-9982386135 [0,1,0,0,0,0|1,1,1]=4 400 B6R0.3 CC(O)/C(=N/O)/N MCULE-6135321689 [0,1,0,0,0,0|2,0,1]=4 401 B6R0.3 CC(O)C(=O)NN MCULE-4510079670 [0,1,0,0,0,0|2,0,1]=4 402 B6R0.3 CC(ON)C(=O)O MCULE-1969235976 [0,1,0,0,0,0|1,0,1]=3 403 B6R0.3 CC(ON)C(=O)O MCULE-4318537884 [0,1,0,0,0,0|1,0,1]=3 404 B6R0.3 CC(ON)C(=O)O MCULE-4455753863 [0,1,0,0,0,0|1,0,1]=3 405 B6R0.3 CC(ON)C(=O)O MCULE-8893009712 [0,1,0,0,0,0|1,0,1]=3 406 B6R0.3 CC=C(Br)C(=O)O MCULE-5368794596 [0,1,0,0,0,0|2,0,0]=3 407 B6R0.3 CC=C(C)C(=O)C MCULE-8950290711 [0,1,0,0,0,0|3,0,0]=4 408 B6R0.3 CC=C(C)C(=O)Cl MCULE-2974704783 [0,1,0,0,0,0|3,0,0]=4 409 B6R0.3 CC=C(C)C(=O)O MCULE-2390677360 [0,1,0,0,0,0|2,0,0]=3 410 B6R0.3 CC=C(Cl)C(=O)O MCULE-5827690088 [0,1,0,0,0,0|2,0,0]=3 411 B6R0.3 CC=C(F)C(=O)O MCULE-5053310707 [0,1,0,0,0,0|2,0,0]=3 412 B6R0.3 CC=C(O)C(=O)O MCULE-7886990963 [0,1,0,0,0,0|1,0,0]=2 413 B6R0.3 CCC(=O)C(=O)C MCULE-3065014067 [0,1,0,0,0,0|2,0,0]=3 414 B6R0.3 CCC(=O)C(=O)O MCULE-8360398438 [0,1,0,0,0,0|1,0,0]=2 415 B6R0.3 CCC(=O)C(=O)[O-] MCULE-7571698792 [0,1,0,0,0,0|1,0,1]=3 416 B6R0.3 CCC(=O)C(C)O MCULE-4144791660 [0,1,0,0,0,0|2,0,1]=4 417 B6R0.3 CCC(Br)C(=O)O MCULE-4214463814 [0,1,0,0,0,0|2,0,1]=4 418 B6R0.3 CCC(C)C(=O)O MCULE-5615925204 [0,1,0,0,0,0|2,0,1]=4 419 B6R0.3 CCC(C)C(=O)O MCULE-7434436828 [0,1,0,0,0,0|2,0,1]=4 420 B6R0.3 CCC(Cl)C(=O)O MCULE-6325944516 [0,1,0,0,0,0|2,0,1]=4 421 B6R0.3 CCC(F)C(=O)O MCULE-3947852767 [0,1,0,0,0,0|2,0,1]=4 422 B6R0.3 CCC(N)C(=O)O MCULE-2132009026 [0,1,0,0,0,0|2,0,1]=4 423 B6R0.3 CCC(N)C(=O)O MCULE-7397078475 [0,1,0,0,0,0|2,0,1]=4 424 B6R0.3 CCC(N)C(=O)O MCULE-8052711911 [0,1,0,0,0,0|2,0,1]=4 425 B6R0.3 CCC(N)C(=O)O MCULE-9815187967 [0,1,0,0,0,0|2,0,1]=4 426 B6R0.3 CCC(O)C(=O)N MCULE-4290959224 [0,1,0,0,0,0|2,0,1]=4 427 B6R0.3 CCC(O)C(=O)O MCULE-1958918710 [0,1,0,0,0,0|1,0,1]=3 428 B6R0.3 CCC(O)C(=O)O MCULE-2006594131 [0,1,0,0,0,0|1,0,1]=3 429 B6R0.3 CCC(O)C(=O)[O-] MCULE-5297669254 [0,1,0,0,0,0|1,0,2]=4 430 B6R0.3 CCC(O)C(=O)[O-] MCULE-5740032698 [0,1,0,0,0,0|1,0,2]=4 431 B6R0.3 CCC(S)C(=O)O MCULE-9887370695 [0,1,0,0,0,0|1,1,1]=4 432 B6R0.3 CCN(O)C(=O)C MCULE-8547381969 [0,1,0,0,0,0|3,0,0]=4 433 B6R0.3 CC[C@@H](Br)C(=O)O MCULE-3890418201 [0,1,0,0,0,0|2,0,1]=4 434 B6R0.3 CC[C@@H](Br)C(=O)O MCULE-5910145154 [0,1,0,0,0,0|2,0,1]=4 435 B6R0.3 CC[C@@H](C)C(=O)O MCULE-4225604875 [0,1,0,0,0,0|2,0,1]=4 436 B6R0.3 CC[C@@H](C)C(=O)O MCULE-6581991788 [0,1,0,0,0,0|2,0,1]=4 437 B6R0.3 CC[C@@H](Cl)C(=O)O MCULE-2496023102 [0,1,0,0,0,0|2,0,1]=4 438 B6R0.3 CC[C@@H](Cl)C(=O)O MCULE-9719915588 [0,1,0,0,0,0|2,0,1]=4 439 B6R0.3 CC[C@@H](N)C(=O)O MCULE-3824768448 [0,1,0,0,0,0|2,0,1]=4 440 B6R0.3 CC[C@@H](N)C(=O)O MCULE-7078248621 [0,1,0,0,0,0|2,0,1]=4 441 B6R0.3 CC[C@@H](N)C(=O)O MCULE-8856363896 [0,1,0,0,0,0|2,0,1]=4 442 B6R0.3 CC[C@@H](N)C(=O)O MCULE-9662763952 [0,1,0,0,0,0|2,0,1]=4 443 B6R0.3 CC[C@@H](O)C(=O)O MCULE-8118182602 [0,1,0,0,0,0|1,0,1]=3 444 B6R0.3 CC[C@@H](O)C(=O)O MCULE-9744322272 [0,1,0,0,0,0|1,0,1]=3 445 B6R0.3 CC[C@H](Br)C(=O)O MCULE-2859668715 [0,1,0,0,0,0|2,0,1]=4 446 B6R0.3 CC[C@H](Br)C(=O)O MCULE-9989821197 [0,1,0,0,0,0|2,0,1]=4 447 B6R0.3 CC[C@H](C)C(=O)O MCULE-5170193492 [0,1,0,0,0,0|2,0,1]=4 448 B6R0.3 CC[C@H](C)C(=O)O MCULE-6595467867 [0,1,0,0,0,0|2,0,1]=4 449 B6R0.3 CC[C@H](Cl)C(=O)O MCULE-8870390851 [0,1,0,0,0,0|2,0,1]=4 450 B6R0.3 CC[C@H](N)C(=O)O MCULE-3597025691 [0,1,0,0,0,0|2,0,1]=4 451 B6R0.3 CC[C@H](N)C(=O)O MCULE-5445914617 [0,1,0,0,0,0|2,0,1]=4 452 B6R0.3 CC[C@H](N)C(=O)O MCULE-7781302707 [0,1,0,0,0,0|2,0,1]=4 453 B6R0.3 CC[C@H](N)C(=O)O MCULE-8446392822 [0,1,0,0,0,0|2,0,1]=4 454 B6R0.3 CC[C@H](O)C(=O)O MCULE-4284991317 [0,1,0,0,0,0|1,0,1]=3 455 B6R0.3 CC[C@H](O)C(=O)O MCULE-6782147427 [0,1,0,0,0,0|1,0,1]=3 456 B6R0.3 CC[C@H](O)C(=O)[O-] MCULE-6073275709 [0,1,0,0,0,0|1,0,2]=4 457 B6R0.3 CN(C)C(=O)CO MCULE-8470749078 [0,1,0,0,0,0|3,0,0]=4 458 B6R0.3 CN(C)C(=O)NO MCULE-7406409363 [0,1,0,0,0,0|3,0,0]=4 459 B6R0.3 CN(N)C(=O)NO MCULE-9258932516 [0,1,0,0,0,0|3,0,0]=4 460 B6R0.3 CN(N=O)C(=O)N MCULE-7683488639 [0,1,0,0,0,0|3,0,0]=4 461 B6R0.3 CN(O)C(=O)CN MCULE-6904940710 [0,1,0,0,0,0|3,0,0]=4 462 B6R0.3 CN(O)C(=O)CN MCULE-7352809793 [0,1,0,0,0,0|3,0,0]=4 463 B6R0.3 CNC(=O)C(=O)O MCULE-5436132271 [0,1,0,0,0,0|1,0,0]=2 464 B6R0.3 CNC(=O)C(C)O MCULE-4714977257 [0,1,0,0,0,0|2,0,1]=4 465 B6R0.3 CNC(=O)[C@@H](C)O MCULE-8955033466 [0,1,0,0,0,0|2,0,1]=4 466 B6R0.3 CNC(=O)[C@H](C)O MCULE-8015727044 [0,1,0,0,0,0|2,0,1]=4 467 B6R0.3 CNC(C)C(=O)O MCULE-4088114502 [0,1,0,0,0,0|2,0,1]=4 468 B6R0.3 CNC(C)C(=O)O MCULE-7300169560 [0,1,0,0,0,0|2,0,1]=4 469 B6R0.3 CNC(C)C(=O)O MCULE-8623956615 [0,1,0,0,0,0|2,0,1]=4 470 B6R0.3 CN[C@@H](C)C(=O)O MCULE-2079366664 [0,1,0,0,0,0|2,0,1]=4 471 B6R0.3 CN[C@@H](C)C(=O)O MCULE-4072364377 [0,1,0,0,0,0|2,0,1]=4 472 B6R0.3 CN[C@@H](C)C(=O)O MCULE-4518259073 [0,1,0,0,0,0|2,0,1]=4 473 B6R0.3 CN[C@@H](C)C(=O)O MCULE-8200069325 [0,1,0,0,0,0|2,0,1]=4 474 B6R0.3 CN[C@H](C)C(=O)O MCULE-2777429698 [0,1,0,0,0,0|2,0,1]=4 475 B6R0.3 CN[C@H](C)C(=O)O MCULE-7282734154 [0,1,0,0,0,0|2,0,1]=4 476 B6R0.3 CN[C@H](C)C(=O)O MCULE-9709122579 [0,1,0,0,0,0|2,0,1]=4 477 B6R0.3 COC(=O)C(=N)N MCULE-3129647301 [0,1,0,0,0,0|2,0,0]=3 478 B6R0.3 COC(=O)C(=N)N MCULE-4942451868 [0,1,0,0,0,0|2,0,0]=3 479 B6R0.3 COC(=O)C(=O)C MCULE-5423483210 [0,1,0,0,0,0|1,0,0]=2 480 B6R0.3 COC(=O)C(=O)Cl MCULE-1380456689 [0,1,0,0,0,0|1,0,0]=2 481 B6R0.3 COC(=O)C(=O)O MCULE-8527842270 [0,1,0,0,0,0|0,0,0]=1 482 B6R0.3 COC(=O)C(=O)[O-] MCULE-5187907456 [0,1,0,0,0,0|0,0,1]=2 483 B6R0.3 COC(=O)C(=S)N MCULE-8900860523 [0,1,0,0,0,0|1,1,0]=3 484 B6R0.3 COC(=O)C(Br)Br MCULE-7917032365 [0,1,0,0,0,0|2,0,1]=4 485 B6R0.3 COC(=O)C(C)Br MCULE-8218697195 [0,1,0,0,0,0|2,0,1]=4 486 B6R0.3 COC(=O)C(C)C MCULE-8740211817 [0,1,0,0,0,0|2,0,1]=4 487 B6R0.3 COC(=O)C(C)Cl MCULE-5874523100 [0,1,0,0,0,0|2,0,1]=4 488 B6R0.3 COC(=O)C(C)Cl MCULE-7725109837 [0,1,0,0,0,0|2,0,1]=4 489 B6R0.3 COC(=O)C(C)F MCULE-2381396302 [0,1,0,0,0,0|2,0,1]=4 490 B6R0.3 COC(=O)C(C)N MCULE-6823731158 [0,1,0,0,0,0|2,0,1]=4 491 B6R0.3 COC(=O)C(C)N MCULE-7003387212 [0,1,0,0,0,0|2,0,1]=4 492 B6R0.3 COC(=O)C(C)N MCULE-8331503444 [0,1,0,0,0,0|2,0,1]=4 493 B6R0.3 COC(=O)C(C)N MCULE-8860467123 [0,1,0,0,0,0|2,0,1]=4 494 B6R0.3 COC(=O)C(C)O MCULE-7040827393 [0,1,0,0,0,0|1,0,1]=3 495 B6R0.3 COC(=O)C(C)O MCULE-7872489483 [0,1,0,0,0,0|1,0,1]=3 496 B6R0.3 COC(=O)C(C)S MCULE-8499044680 [0,1,0,0,0,0|1,1,1]=4 497 B6R0.3 COC(=O)C(Cl)Cl MCULE-4062853805 [0,1,0,0,0,0|2,0,1]=4 498 B6R0.3 COC(=O)C(F)F MCULE-9701476276 [0,1,0,0,0,0|2,0,1]=4 499 B6R0.3 COC(=O)N(C)C MCULE-7772743169 [0,1,0,0,0,0|3,0,0]=4 500 B6R0.3 COC(=O)N(C)N MCULE-4131925989 [0,1,0,0,0,0|3,0,0]=4 501 B6R0.3 COC(=O)[C@@H](C)Br MCULE-8118895575 [0,1,0,0,0,0|2,0,1]=4 502 B6R0.3 COC(=O)[C@@H](C)Cl MCULE-1037727130 [0,1,0,0,0,0|2,0,1]=4 503 B6R0.3 COC(=O)[C@@H](C)F MCULE-4776326501 [0,1,0,0,0,0|2,0,1]=4 504 B6R0.3 COC(=O)[C@@H](C)F MCULE-8049982812 [0,1,0,0,0,0|2,0,1]=4 505 B6R0.3 COC(=O)[C@@H](C)N MCULE-6142127864 [0,1,0,0,0,0|2,0,1]=4 506 B6R0.3 COC(=O)[C@@H](C)N MCULE-6606835410 [0,1,0,0,0,0|2,0,1]=4 507 B6R0.3 COC(=O)[C@@H](C)N MCULE-7979979694 [0,1,0,0,0,0|2,0,1]=4 508 B6R0.3 COC(=O)[C@@H](C)N MCULE-9290287586 [0,1,0,0,0,0|2,0,1]=4 509 B6R0.3 COC(=O)[C@@H](C)O MCULE-5441095431 [0,1,0,0,0,0|1,0,1]=3 510 B6R0.3 COC(=O)[C@@H](C)O MCULE-6924152779 [0,1,0,0,0,0|1,0,1]=3 511 B6R0.3 COC(=O)[C@H](C)Cl MCULE-1009662992 [0,1,0,0,0,0|2,0,1]=4 512 B6R0.3 COC(=O)[C@H](C)Cl MCULE-7624485295 [0,1,0,0,0,0|2,0,1]=4 513 B6R0.3 COC(=O)[C@H](C)N MCULE-1665306037 [0,1,0,0,0,0|2,0,1]=4 514 B6R0.3 COC(=O)[C@H](C)N MCULE-2941352505 [0,1,0,0,0,0|2,0,1]=4 515 B6R0.3 COC(=O)[C@H](C)N MCULE-5314047552 [0,1,0,0,0,0|2,0,1]=4 516 B6R0.3 COC(=O)[C@H](C)N MCULE-7930428859 [0,1,0,0,0,0|2,0,1]=4 517 B6R0.3 COC(=O)[C@H](C)O MCULE-2590929895 [0,1,0,0,0,0|1,0,1]=3 518 B6R0.3 COC(=O)[C@H](C)O MCULE-3292709954 [0,1,0,0,0,0|1,0,1]=3 519 B6R0.3 COC(Br)C(=O)C MCULE-1220922171 [0,1,0,0,0,0|2,0,1]=4 520 B6R0.3 COC(Br)C(=O)O MCULE-9018983840 [0,1,0,0,0,0|1,0,1]=3 521 B6R0.3 COC(C)C(=O)C MCULE-8058502137 [0,1,0,0,0,0|2,0,1]=4 522 B6R0.3 COC(C)C(=O)N MCULE-5955494048 [0,1,0,0,0,0|2,0,1]=4 523 B6R0.3 COC(C)C(=O)O MCULE-8913745653 [0,1,0,0,0,0|1,0,1]=3 524 B6R0.3 CON(C)C(=O)C MCULE-8559238750 [0,1,0,0,0,0|3,0,0]=4 525 B6R0.3 CON(C)C(=O)Cl MCULE-7217619495 [0,1,0,0,0,0|3,0,0]=4 526 B6R0.3 CO[C@@H](C)C(=O)Cl MCULE-9335923061 [0,1,0,0,0,0|2,0,1]=4 527 B6R0.3 CO[C@@H](C)C(=O)O MCULE-7456458246 [0,1,0,0,0,0|1,0,1]=3 528 B6R0.3 CO[C@@H](C)C(=O)O MCULE-8108977564 [0,1,0,0,0,0|1,0,1]=3 529 B6R0.3 CO[C@H](C)C(=O)O MCULE-3078851913 [0,1,0,0,0,0|1,0,1]=3 530 B6R0.3 CO[C@H](C)C(=O)O MCULE-5370950850 [0,1,0,0,0,0|1,0,1]=3 531 B6R0.3 CSC(C)C(=O)O MCULE-8062487948 [0,1,0,0,0,0|1,1,1]=4 532 B6R0.3 C[C@@H](CN)C(=O)O MCULE-4438181090 [0,1,0,0,0,0|2,0,1]=4 533 B6R0.3 C[C@@H](CN)C(=O)O MCULE-4599481344 [0,1,0,0,0,0|2,0,1]=4 534 B6R0.3 C[C@@H](CN)C(=O)O MCULE-5826933618 [0,1,0,0,0,0|2,0,1]=4 535 B6R0.3 C[C@@H](CN)C(=O)O MCULE-5914856504 [0,1,0,0,0,0|2,0,1]=4 536 B6R0.3 C[C@@H](CO)C(=O)O MCULE-1381224499 [0,1,0,0,0,0|1,0,1]=3 537 B6R0.3 C[C@@H](CO)C(=O)O MCULE-4599417419 [0,1,0,0,0,0|1,0,1]=3 538 B6R0.3 C[C@@H](ON)C(=O)O MCULE-1538722507 [0,1,0,0,0,0|1,0,1]=3 539 B6R0.3 C[C@@H](ON)C(=O)O MCULE-3835402446 [0,1,0,0,0,0|1,0,1]=3 540 B6R0.3 C[C@H](CN)C(=O)O MCULE-3703540023 [0,1,0,0,0,0|2,0,1]=4 541 B6R0.3 C[C@H](CN)C(=O)O MCULE-5714771083 [0,1,0,0,0,0|2,0,1]=4 542 B6R0.3 C[C@H](CN)C(=O)O MCULE-9009901306 [0,1,0,0,0,0|2,0,1]=4 543 B6R0.3 C[C@H](CN)C(=O)O MCULE-9217365463 [0,1,0,0,0,0|2,0,1]=4 544 B6R0.3 C[C@H](CO)C(=O)O MCULE-7012562122 [0,1,0,0,0,0|1,0,1]=3 545 B6R0.3 C[C@H](CO)C(=O)O MCULE-9702865885 [0,1,0,0,0,0|1,0,1]=3 546 B6R0.3 C[C@H](CO)C(=O)[O-] MCULE-5733737039 [0,1,0,0,0,0|1,0,2]=4 547 B6R0.3 C[C@H](ON)C(=O)O MCULE-3327889540 [0,1,0,0,0,0|1,0,1]=3 548 B6R0.3 C[C@H](ON)C(=O)O MCULE-4523264650 [0,1,0,0,0,0|1,0,1]=3 549 B6R0.3 NC(=O)/C(=N/O)/N MCULE-6909019905 [0,1,0,0,0,0|2,0,0]=3 550 B6R0.3 NC(=O)C(N)CO MCULE-4842751232 [0,1,0,0,0,0|2,0,1]=4 551 B6R0.3 NC(=O)C(N)CO MCULE-6854366147 [0,1,0,0,0,0|2,0,1]=4 552 B6R0.3 NC(=O)[C@@H](N)CO MCULE-2185844038 [0,1,0,0,0,0|2,0,1]=4 553 B6R0.3 NC(=O)[C@@H](N)CO MCULE-3623516041 [0,1,0,0,0,0|2,0,1]=4 554 B6R0.3 NC(=O)[C@@H](N)CO MCULE-6218638108 [0,1,0,0,0,0|2,0,1]=4 555 B6R0.3 NC(=O)[C@H](N)CO MCULE-2061645482 [0,1,0,0,0,0|2,0,1]=4 556 B6R0.3 NC(=O)[C@H](N)CO MCULE-5920366137 [0,1,0,0,0,0|2,0,1]=4 557 B6R0.3 NC(=O)[C@H](N)CO MCULE-7612340519 [0,1,0,0,0,0|2,0,1]=4 558 B6R0.3 NC(=O)[C@H](N)CO MCULE-7734326153 [0,1,0,0,0,0|2,0,1]=4 559 B6R0.3 NC(=S)/C(=N/O)/N MCULE-1544637781 [0,1,0,0,0,0|2,1,0]=4 560 B6R0.3 NC(CCl)C(=O)O MCULE-1601405489 [0,1,0,0,0,0|2,0,1]=4 561 B6R0.3 NC(CCl)C(=O)O MCULE-3020306643 [0,1,0,0,0,0|2,0,1]=4 562 B6R0.3 NC(CCl)C(=O)O MCULE-5440349631 [0,1,0,0,0,0|2,0,1]=4 563 B6R0.3 NC(CF)C(=O)O MCULE-3274339636 [0,1,0,0,0,0|2,0,1]=4 564 B6R0.3 NC(CO)C(=O)O MCULE-2425237422 [0,1,0,0,0,0|1,0,1]=3 565 B6R0.3 NC(CO)C(=O)O MCULE-6460387318 [0,1,0,0,0,0|1,0,1]=3 566 B6R0.3 NC(CS)C(=O)O MCULE-1666411258 [0,1,0,0,0,0|1,1,1]=4 567 B6R0.3 NC(CS)C(=O)O MCULE-2938329352 [0,1,0,0,0,0|1,1,1]=4 568 B6R0.3 NC(CS)C(=O)O MCULE-7203902929 [0,1,0,0,0,0|1,1,1]=4 569 B6R0.3 NC(CS)C(=O)O MCULE-7790846545 [0,1,0,0,0,0|1,1,1]=4 570 B6R0.3 NCC(Br)C(=O)O MCULE-2289205408 [0,1,0,0,0,0|2,0,1]=4 571 B6R0.3 NCC(Br)C(=O)O MCULE-9361399143 [0,1,0,0,0,0|2,0,1]=4 572 B6R0.3 NCC(F)C(=O)O MCULE-5666887061 [0,1,0,0,0,0|2,0,1]=4 573 B6R0.3 NCC(F)C(=O)O MCULE-6134707533 [0,1,0,0,0,0|2,0,1]=4 574 B6R0.3 NCC(N)C(=O)O MCULE-1867799207 [0,1,0,0,0,0|2,0,1]=4 575 B6R0.3 NCC(N)C(=O)O MCULE-4853376364 [0,1,0,0,0,0|2,0,1]=4 576 B6R0.3 NCC(N)C(=O)O MCULE-7636331821 [0,1,0,0,0,0|2,0,1]=4 577 B6R0.3 NCC(N)C(=O)O MCULE-7735444546 [0,1,0,0,0,0|2,0,1]=4 578 B6R0.3 NCC(N)C(=O)O MCULE-9197553017 [0,1,0,0,0,0|2,0,1]=4 579 B6R0.3 NCC(O)C(=O)N MCULE-1543465850 [0,1,0,0,0,0|2,0,1]=4 580 B6R0.3 NCC(O)C(=O)N MCULE-9574499203 [0,1,0,0,0,0|2,0,1]=4 581 B6R0.3 NCC(O)C(=O)O MCULE-2137675488 [0,1,0,0,0,0|1,0,1]=3 582 B6R0.3 NCC(O)C(=O)O MCULE-3348306437 [0,1,0,0,0,0|1,0,1]=3 583 B6R0.3 NC[C@@H](F)C(=O)O MCULE-3544959183 [0,1,0,0,0,0|2,0,1]=4 584 B6R0.3 NC[C@@H](F)C(=O)O MCULE-4122418685 [0,1,0,0,0,0|2,0,1]=4 585 B6R0.3 NC[C@@H](F)C(=O)O MCULE-8592364466 [0,1,0,0,0,0|2,0,1]=4 586 B6R0.3 NC[C@@H](F)C(=O)O MCULE-9106826144 [0,1,0,0,0,0|2,0,1]=4 587 B6R0.3 NC[C@@H](N)C(=O)O MCULE-5363126654 [0,1,0,0,0,0|2,0,1]=4 588 B6R0.3 NC[C@@H](N)C(=O)O MCULE-8998345978 [0,1,0,0,0,0|2,0,1]=4 589 B6R0.3 NC[C@@H](N)C(=O)O MCULE-9125384126 [0,1,0,0,0,0|2,0,1]=4 590 B6R0.3 NC[C@@H](O)C(=O)O MCULE-5922773276 [0,1,0,0,0,0|1,0,1]=3 591 B6R0.3 NC[C@@H](O)C(=O)O MCULE-8921832932 [0,1,0,0,0,0|1,0,1]=3 592 B6R0.3 NC[C@H](F)C(=O)O MCULE-2695037152 [0,1,0,0,0,0|2,0,1]=4 593 B6R0.3 NC[C@H](F)C(=O)O MCULE-4323150722 [0,1,0,0,0,0|2,0,1]=4 594 B6R0.3 NC[C@H](F)C(=O)O MCULE-6701791437 [0,1,0,0,0,0|2,0,1]=4 595 B6R0.3 NC[C@H](F)C(=O)O MCULE-7674783008 [0,1,0,0,0,0|2,0,1]=4 596 B6R0.3 NC[C@H](N)C(=O)O MCULE-1389567062 [0,1,0,0,0,0|2,0,1]=4 597 B6R0.3 NC[C@H](N)C(=O)O MCULE-1833064192 [0,1,0,0,0,0|2,0,1]=4 598 B6R0.3 NC[C@H](N)C(=O)O MCULE-2347369254 [0,1,0,0,0,0|2,0,1]=4 599 B6R0.3 NC[C@H](N)C(=O)O MCULE-2781423323 [0,1,0,0,0,0|2,0,1]=4 600 B6R0.3 NC[C@H](N)C(=O)O MCULE-6498458695 [0,1,0,0,0,0|2,0,1]=4 601 B6R0.3 NC[C@H](N)C(=O)O MCULE-8313668715 [0,1,0,0,0,0|2,0,1]=4 602 B6R0.3 NC[C@H](O)C(=O)O MCULE-5854124012 [0,1,0,0,0,0|1,0,1]=3 603 B6R0.3 NC[C@H](O)C(=O)O MCULE-7536593166 [0,1,0,0,0,0|1,0,1]=3 604 B6R0.3 NNC(=O)C(=O)N MCULE-5080628360 [0,1,0,0,0,0|2,0,0]=3 605 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-2896868744 [0,1,0,0,0,0|2,0,1]=4 606 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-5799339909 [0,1,0,0,0,0|2,0,1]=4 607 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-7445121230 [0,1,0,0,0,0|2,0,1]=4 608 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-9137000163 [0,1,0,0,0,0|2,0,1]=4 609 B6R0.3 N[C@@H](CO)C(=O)O MCULE-4580794842 [0,1,0,0,0,0|1,0,1]=3 610 B6R0.3 N[C@@H](CO)C(=O)O MCULE-5604658333 [0,1,0,0,0,0|1,0,1]=3 611 B6R0.3 N[C@@H](CO)C(=O)O MCULE-5884286841 [0,1,0,0,0,0|1,0,1]=3 612 B6R0.3 N[C@@H](CO)C(=O)O MCULE-6118038121 [0,1,0,0,0,0|1,0,1]=3 613 B6R0.3 N[C@@H](CS)C(=O)O MCULE-1896679526 [0,1,0,0,0,0|1,1,1]=4 614 B6R0.3 N[C@@H](CS)C(=O)O MCULE-2206038012 [0,1,0,0,0,0|1,1,1]=4 615 B6R0.3 N[C@@H](CS)C(=O)O MCULE-6337217524 [0,1,0,0,0,0|1,1,1]=4 616 B6R0.3 N[C@@H](CS)C(=O)O MCULE-9685479191 [0,1,0,0,0,0|1,1,1]=4 617 B6R0.3 N[C@H](CCl)C(=O)O MCULE-2647266636 [0,1,0,0,0,0|2,0,1]=4 618 B6R0.3 N[C@H](CCl)C(=O)O MCULE-7797369596 [0,1,0,0,0,0|2,0,1]=4 619 B6R0.3 N[C@H](CCl)C(=O)O MCULE-8133148482 [0,1,0,0,0,0|2,0,1]=4 620 B6R0.3 N[C@H](CCl)C(=O)O MCULE-9324545858 [0,1,0,0,0,0|2,0,1]=4 621 B6R0.3 N[C@H](CF)C(=O)O MCULE-4766495272 [0,1,0,0,0,0|2,0,1]=4 622 B6R0.3 N[C@H](CF)C(=O)O MCULE-7679315401 [0,1,0,0,0,0|2,0,1]=4 623 B6R0.3 N[C@H](CO)C(=O)O MCULE-3271603208 [0,1,0,0,0,0|1,0,1]=3 624 B6R0.3 N[C@H](CO)C(=O)O MCULE-8560981570 [0,1,0,0,0,0|1,0,1]=3 625 B6R0.3 N[C@H](CS)C(=O)O MCULE-2137827959 [0,1,0,0,0,0|1,1,1]=4 626 B6R0.3 N[C@H](CS)C(=O)O MCULE-4521387126 [0,1,0,0,0,0|1,1,1]=4 627 B6R0.3 N[C@H](CS)C(=O)O MCULE-7201506202 [0,1,0,0,0,0|1,1,1]=4 628 B6R0.3 N[C@H](CS)C(=O)O MCULE-9147562606 [0,1,0,0,0,0|1,1,1]=4 629 B6R0.3 O=C(Cl)/C(=C/Cl)/Cl MCULE-1765210878 [0,1,0,0,0,0|3,0,0]=4 630 B6R0.3 O=C(Cl)C(=O)CBr MCULE-1637788630 [0,1,0,0,0,0|2,0,0]=3 631 B6R0.3 O=C(O)/C(=C/Cl)/Cl MCULE-4317518344 [0,1,0,0,0,0|2,0,0]=3 632 B6R0.3 O=C(O)C(=CCl)Cl MCULE-2693859334 [0,1,0,0,0,0|2,0,0]=3 633 B6R0.3 O=C(O)C(=O)CBr MCULE-4768170572 [0,1,0,0,0,0|1,0,0]=2 634 B6R0.3 O=C(O)C(=O)CCl MCULE-7853426045 [0,1,0,0,0,0|1,0,0]=2 635 B6R0.3 O=C(O)C(=O)CF MCULE-5884987827 [0,1,0,0,0,0|1,0,0]=2 636 B6R0.3 O=C(O)C(=O)CO MCULE-2263002631 [0,1,0,0,0,0|0,0,0]=1 637 B6R0.3 O=C(O)C(=O)CS MCULE-7466669113 [0,1,0,0,0,0|0,1,0]=2 638 B6R0.3 O=C(O)C(Br)CBr MCULE-9991448725 [0,1,0,0,0,0|2,0,1]=4 639 B6R0.3 O=C(O)C(Br)CF MCULE-6577995297 [0,1,0,0,0,0|2,0,1]=4 640 B6R0.3 O=C(O)C(Br)CO MCULE-9060407295 [0,1,0,0,0,0|1,0,1]=3 641 B6R0.3 O=C(O)C(Cl)CCl MCULE-4757238565 [0,1,0,0,0,0|2,0,1]=4 642 B6R0.3 O=C(O)C(Cl)CO MCULE-3671026398 [0,1,0,0,0,0|1,0,1]=3 643 B6R0.3 O=C(O)C(F)CF MCULE-4323199927 [0,1,0,0,0,0|2,0,1]=4 644 B6R0.3 O=C(O)C(O)CBr MCULE-2600199692 [0,1,0,0,0,0|1,0,1]=3 645 B6R0.3 O=C(O)C(O)CCl MCULE-6346810624 [0,1,0,0,0,0|1,0,1]=3 646 B6R0.3 O=C(O)C(O)CO MCULE-3634533503 [0,1,0,0,0,0|0,0,2]=3 647 B6R0.3 O=C(O)[C@@H](Br)CO MCULE-4486884639 [0,1,0,0,0,0|1,0,1]=3 648 B6R0.3 O=C(O)[C@@H](Br)CO MCULE-8586594526 [0,1,0,0,0,0|1,0,1]=3 649 B6R0.3 O=C(O)[C@@H](O)CCl MCULE-4927034524 [0,1,0,0,0,0|1,0,1]=3 650 B6R0.3 O=C(O)[C@@H](O)CO MCULE-4917119993 [0,1,0,0,0,0|0,0,2]=3 651 B6R0.3 O=C(O)[C@@H](O)CO MCULE-7996851129 [0,1,0,0,0,0|0,0,2]=3 652 B6R0.3 O=C(O)[C@H](Br)CO MCULE-3770944978 [0,1,0,0,0,0|1,0,1]=3 653 B6R0.3 O=C(O)[C@H](Br)CO MCULE-6926119866 [0,1,0,0,0,0|1,0,1]=3 654 B6R0.3 O=C(O)[C@H](O)CF MCULE-4453713074 [0,1,0,0,0,0|1,0,1]=3 655 B6R0.3 O=C([O-])C(=O)CF MCULE-9109967389 [0,1,0,0,0,0|1,0,1]=3 656 B6R0.3 O=C([O-])C(=O)CS MCULE-4375165973 [0,1,0,0,0,0|0,1,1]=3 657 B6R0.3 O=C([O-])[C@@H](O)CO MCULE-4498291090 [0,1,0,0,0,0|0,0,3]=4 658 B6R0.3 OCC(=C(F)F)F MCULE-9266336086 [0,1,0,0,0,0|3,0,0]=4 659 B6R0.3 [C@@H](N)(C=C)C(=O)O MCULE-9406839633 [0,1,0,0,0,0|2,0,1]=4 660 B6R0.3 [C@@H](N)(CN)C(=O)O MCULE-2844054083 [0,1,0,0,0,0|2,0,1]=4 661 B6R0.3 [C@H](C)(Cl)C(=O)OC MCULE-7212330759 [0,1,0,0,0,0|2,0,1]=4 662 B6R0.3 [C@H](C)(NC)C(=O)O MCULE-3677465746 [0,1,0,0,0,0|2,0,1]=4 663 B6R0.3 [C@H](N)(CO)C(=O)N MCULE-2792784400 [0,1,0,0,0,0|2,0,1]=4 664 B6R0.3 [C@H](S)(CC)C(=O)O MCULE-4267293279 [0,1,0,0,0,0|1,1,1]=4 665 B6R0.3 [SeH]C[C@H](N)C(=O)O MCULE-8205075370 [0,1,0,0,0,0|1,1,1]=4 666 B6R0.7 C=C(C)P(=O)(O)O MCULE-4023318169 [0,1,0,0,0,0|3,0,0]=4 667 B6R0.7 CC(=O)C(C)(C)O MCULE-1535627387 [0,1,0,0,0,0|2,0,1]=4 668 B6R0.7 CC(Br)(Br)C(=O)O MCULE-1654765678 [0,1,0,0,0,0|2,0,1]=4 669 B6R0.7 CC(C)(Br)C(=O)O MCULE-9443967216 [0,1,0,0,0,0|2,0,1]=4 670 B6R0.7 CC(C)(C)C(=O)O MCULE-7166067227 [0,1,0,0,0,0|2,0,1]=4 671 B6R0.7 CC(C)(Cl)C(=O)O MCULE-4744644193 [0,1,0,0,0,0|2,0,1]=4 672 B6R0.7 CC(C)(F)C(=O)O MCULE-9323110637 [0,1,0,0,0,0|2,0,1]=4 673 B6R0.7 CC(C)(N)C(=O)O MCULE-4254251799 [0,1,0,0,0,0|2,0,1]=4 674 B6R0.7 CC(C)(N)C(=O)O MCULE-6175880842 [0,1,0,0,0,0|2,0,1]=4 675 B6R0.7 CC(C)(O)C(=O)N MCULE-9151369011 [0,1,0,0,0,0|2,0,1]=4 676 B6R0.7 CC(C)(O)C(=O)O MCULE-4093617756 [0,1,0,0,0,0|1,0,1]=3 677 B6R0.7 CC(C)(S)C(=O)O MCULE-1863706684 [0,1,0,0,0,0|1,1,1]=4 678 B6R0.7 CC(Cl)(Cl)C(=O)O MCULE-8201912740 [0,1,0,0,0,0|2,0,1]=4 679 B6R0.7 CC(F)(Br)C(=O)O MCULE-5584369540 [0,1,0,0,0,0|2,0,1]=4 680 B6R0.7 CC(F)(F)C(=O)O MCULE-3936632737 [0,1,0,0,0,0|2,0,1]=4 681 B6R0.7 N=C(N)S(=O)(=O)O MCULE-9630791590 [0,1,0,0,0,0|3,0,0]=4 682 B6R0.7 O=C(O)C(Br)(Br)Br MCULE-4004191582 [0,1,0,0,0,0|2,0,1]=4 683 B6R0.7 O=C(O)C(Cl)(Br)Br MCULE-9131760998 [0,1,0,0,0,0|2,0,1]=4 684 B6R0.7 O=C(O)C(Cl)(Cl)Cl MCULE-1368734775 [0,1,0,0,0,0|2,0,1]=4 685 B6R0.7 O=C(O)C(F)(Br)Br MCULE-7267386731 [0,1,0,0,0,0|2,0,1]=4 686 B6R0.7 O=C(O)C(F)(Cl)Cl MCULE-2262288122 [0,1,0,0,0,0|2,0,1]=4 687 B6R0.7 O=C(O)C(F)(F)Br MCULE-2634780711 [0,1,0,0,0,0|2,0,1]=4 688 B6R0.7 O=C(O)C(F)(F)Cl MCULE-4915780097 [0,1,0,0,0,0|2,0,1]=4 689 B6R0.7 O=C(O)C(F)(F)F MCULE-1123900266 [0,1,0,0,0,0|2,0,1]=4 690 B6R0.7 O=C(O)C(F)(F)F MCULE-1306154157 [0,1,0,0,0,0|2,0,1]=4 691 B6R0.7 O=C(O)C(F)(F)F MCULE-1561231965 [0,1,0,0,0,0|2,0,1]=4 692 B6R0.7 O=C(O)C(F)(F)F MCULE-1816747517 [0,1,0,0,0,0|2,0,1]=4 693 B6R0.7 O=C(O)C(F)(F)F MCULE-2319878190 [0,1,0,0,0,0|2,0,1]=4 694 B6R0.7 O=C(O)C(F)(F)F MCULE-2350887018 [0,1,0,0,0,0|2,0,1]=4 695 B6R0.7 O=C(O)C(F)(F)F MCULE-3649131132 [0,1,0,0,0,0|2,0,1]=4 696 B6R0.7 O=C(O)C(F)(F)F MCULE-4102655453 [0,1,0,0,0,0|2,0,1]=4 697 B6R0.7 O=C(O)C(F)(F)F MCULE-4310110442 [0,1,0,0,0,0|2,0,1]=4 698 B6R0.7 O=C(O)C(F)(F)F MCULE-4552778330 [0,1,0,0,0,0|2,0,1]=4 699 B6R0.7 O=C(O)C(F)(F)F MCULE-7120837354 [0,1,0,0,0,0|2,0,1]=4 700 B6R0.7 O=C(O)C(F)(F)F MCULE-7149887430 [0,1,0,0,0,0|2,0,1]=4 701 B6R0.7 O=C(O)C(F)(F)F MCULE-7852591452 [0,1,0,0,0,0|2,0,1]=4 702 B6R0.7 O=C(O)C(F)(F)F MCULE-8109453485 [0,1,0,0,0,0|2,0,1]=4 703 B6R0.7 O=C(O)C(F)(F)F MCULE-8676558809 [0,1,0,0,0,0|2,0,1]=4 704 B6R0.7 O=C(O)C(F)(F)F MCULE-9277867041 [0,1,0,0,0,0|2,0,1]=4 705 B6R0.7 O=C(O)C(F)(F)F MCULE-9449194409 [0,1,0,0,0,0|2,0,1]=4 706 B6R0.7 O=C(O)C(F)(F)F MCULE-9734884974 [0,1,0,0,0,0|2,0,1]=4 707 B6R0.7 O=C(O)C(F)(F)F MCULE-9976402631 [0,1,0,0,0,0|2,0,1]=4 708 B6R0.7 O=C(O)C(F)(F)I MCULE-5082044093 [0,1,0,0,0,0|2,0,1]=4 709 B6R0.7 O=C(O)P(=O)(O)O MCULE-6294437098 [0,1,0,0,0,0|1,0,0]=2 710 B6R0.7 O=C([O-])P(=O)([O-])[O-] MCULE-3583752909 [0,1,0,0,0,0|1,0,2]=4 711 B6R1.4 CC1COC1=O MCULE-9711165188 [0,0,0,1,0,0|2,0,1]=4 712 B6R1.4 CC1OCC1=O MCULE-7718609686 [0,0,0,1,0,0|2,0,1]=4 713 B6R1.4 NC1COC1=O MCULE-6998565452 [0,0,0,1,0,0|2,0,1]=4 714 B6R1.4 N[C@@H]1COC1=O MCULE-8080548213 [0,0,0,1,0,0|2,0,1]=4 715 B6R1.4 N[C@@H]1COC1=O MCULE-9370092691 [0,0,0,1,0,0|2,0,1]=4 716 B6R1.4 N[C@H]1COC1=O MCULE-4812631526 [0,0,0,1,0,0|2,0,1]=4 717 B6R1.4 O=C1CCC1O MCULE-1248327203 [0,0,0,1,0,0|2,0,1]=4 718 B6R1.4 [C@@H]1(COC1=O)N MCULE-7456320845 [0,0,0,1,0,0|2,0,1]=4 719 B6R1.11 CC(=O)C1CO1 MCULE-4329154079 [0,0,0,1,0,0|2,0,1]=4 720 B6R1.11 NC(=O)C1CO1 MCULE-6911744868 [0,0,0,1,0,0|2,0,1]=4 721 B6R1.11 O=C(O)C1CC1 MCULE-4677373694 [0,0,0,1,0,0|2,0,1]=4 722 B6R1.11 O=C(O)C1CN1 MCULE-3236125597 [0,0,0,1,0,0|2,0,1]=4 723 B6R1.11 O=C(O)C1CO1 MCULE-2152916793 [0,0,0,1,0,0|1,0,1]=3 724 B6R1.11 O=C(O)[C@@H]1CN1 MCULE-4363753412 [0,0,0,1,0,0|2,0,1]=4 725 B6R1.11 O=C(O)[C@H]1CN1 MCULE-4830347195 [0,0,0,1,0,0|2,0,1]=4 726 B6R1.11 O=C(O)[C@H]1CO1 MCULE-5204459723 [0,0,0,1,0,0|1,0,1]=3 727 B6R1.11 O=C(O)[C@H]1CO1 MCULE-6983707093 [0,0,0,1,0,0|1,0,1]=3 728 B6R1.11 O=C([O-])C1CO1 MCULE-4586459966 [0,0,0,1,0,0|1,0,2]=4 729 B6R1.11 O=C([O-])[C@@H]1CO1 MCULE-1647975669 [0,0,0,1,0,0|1,0,2]=4 730 B6R1.11 O=C([O-])[C@@H]1CO1 MCULE-1906997950 [0,0,0,1,0,0|1,0,2]=4 731 B6R1.11 O=C([O-])[C@@H]1CO1 MCULE-4899800766 [0,0,0,1,0,0|1,0,2]=4 732 B6R1.11 O=C([O-])[C@@H]1CO1 MCULE-9148170094 [0,0,0,1,0,0|1,0,2]=4 733 B6R1.11 O=C([O-])[C@H]1CO1 MCULE-6663734494 [0,0,0,1,0,0|1,0,2]=4 734 B6R1.11 O=C([O-])[C@H]1CO1 MCULE-8580451361 [0,0,0,1,0,0|1,0,2]=4 735 B6R0.2 C=C(C)CC(=O)C MCULE-3534735279 [0,0,0,0,0,1|3,0,0]=4 736 B6R0.2 C=C(C)CC(=O)O MCULE-5404023928 [0,0,0,0,0,1|2,0,0]=3 737 B6R0.2 C=C(C)OC(=O)C MCULE-9345377025 [0,0,0,0,0,1|3,0,0]=4 738 B6R0.2 C=C(I)CC(=O)O MCULE-3849925169 [0,0,0,0,0,1|2,0,0]=3 739 B6R0.2 CC(=CC(=O)Cl)C MCULE-7644585609 [0,0,0,0,0,1|3,0,0]=4 740 B6R0.2 CC(=CC(=O)N)C MCULE-6264319579 [0,0,0,0,0,1|3,0,0]=4 741 B6R0.2 CC(=CC(=O)O)C MCULE-4772426340 [0,0,0,0,0,1|2,0,0]=3 742 B6R0.2 CC(=CC(=O)O)Cl MCULE-7503760292 [0,0,0,0,0,1|2,0,0]=3 743 B6R0.2 CC(=CC(=O)O)I MCULE-2652373771 [0,0,0,0,0,1|2,0,0]=3 744 B6R0.2 CC(=CC(=O)O)N MCULE-5894724848 [0,0,0,0,0,1|2,0,0]=3 745 B6R0.2 CC(=N)CC(=O)C MCULE-4678643052 [0,0,0,0,0,1|3,0,0]=4 746 B6R0.2 CC(=O)/C=C(/C)\N MCULE-1235186190 [0,0,0,0,0,1|3,0,0]=4 747 B6R0.2 CC(=O)/C=C(/C)\[O-] MCULE-3445340105 [0,0,0,0,0,1|2,0,1]=4 748 B6R0.2 CC(=O)/C=C(/C)\[O-] MCULE-7833799417 [0,0,0,0,0,1|2,0,1]=4 749 B6R0.2 CC(=O)/C=C(\C)/N MCULE-6412393370 [0,0,0,0,0,1|3,0,0]=4 750 B6R0.2 CC(=O)C=C(C)C MCULE-4922478422 [0,0,0,0,0,1|3,0,0]=4 751 B6R0.2 CC(=O)C=C(C)N MCULE-2247743178 [0,0,0,0,0,1|3,0,0]=4 752 B6R0.2 CC(=O)C=C(C)O MCULE-7345258397 [0,0,0,0,0,1|2,0,0]=3 753 B6R0.2 CC(=O)C=C(C)[O-] MCULE-7733093724 [0,0,0,0,0,1|2,0,1]=4 754 B6R0.2 CC(=O)CC(=O)C MCULE-6481204381 [0,0,0,0,0,1|2,0,0]=3 755 B6R0.2 CC(=O)CC(=O)N MCULE-1618058771 [0,0,0,0,0,1|2,0,0]=3 756 B6R0.2 CC(=O)CC(=O)O MCULE-2601276539 [0,0,0,0,0,1|1,0,0]=2 757 B6R0.2 CC(=O)CC(=O)[O-] MCULE-6317885864 [0,0,0,0,0,1|1,0,1]=3 758 B6R0.2 CC(=O)CC(=O)[O-] MCULE-8448177875 [0,0,0,0,0,1|1,0,1]=3 759 B6R0.2 CC(=O)CC(C)O MCULE-5175367575 [0,0,0,0,0,1|2,0,1]=4 760 B6R0.2 CC(=O)CN(=O)=O MCULE-3153232896 [0,0,0,0,0,1|2,0,1]=4 761 B6R0.2 CC(=O)NC(=N)N MCULE-9300028018 [0,0,0,0,0,1|3,0,0]=4 762 B6R0.2 CC(=O)NC(=O)C MCULE-3040534108 [0,0,0,0,0,1|2,0,0]=3 763 B6R0.2 CC(=O)NC(=O)N MCULE-8999775359 [0,0,0,0,0,1|2,0,0]=3 764 B6R0.2 CC(=O)NC(=S)N MCULE-8448117000 [0,0,0,0,0,1|2,1,0]=4 765 B6R0.2 CC(=O)OC(=O)C MCULE-9184217748 [0,0,0,0,0,1|2,0,0]=3 766 B6R0.2 CC(=O)SC(=O)C MCULE-5749449964 [0,0,0,0,0,1|2,0,0]=3 767 B6R0.2 CC(=O)[CH-]C(=O)C MCULE-4855074933 [0,0,0,0,0,1|2,0,0]=3 768 B6R0.2 CC(=O)[CH-]C(=O)C MCULE-6905854247 [0,0,0,0,0,1|2,0,0]=3 769 B6R0.2 CC(Br)CC(=O)O MCULE-3353526571 [0,0,0,0,0,1|2,0,1]=4 770 B6R0.2 CC(C)CC(=O)O MCULE-5805071360 [0,0,0,0,0,1|2,0,1]=4 771 B6R0.2 CC(Cl)CC(=O)O MCULE-1436146199 [0,0,0,0,0,1|2,0,1]=4 772 B6R0.2 CC(F)CC(=O)O MCULE-9214258715 [0,0,0,0,0,1|2,0,1]=4 773 B6R0.2 CC(N)CC(=O)O MCULE-2960589915 [0,0,0,0,0,1|2,0,1]=4 774 B6R0.2 CC(N)CC(=O)O MCULE-5772407106 [0,0,0,0,0,1|2,0,1]=4 775 B6R0.2 CC(N)CC(=O)O MCULE-7818257350 [0,0,0,0,0,1|2,0,1]=4 776 B6R0.2 CC(N)CC(=O)O MCULE-7847644131 [0,0,0,0,0,1|2,0,1]=4 777 B6R0.2 CC(O)CC(=O)N MCULE-7442557911 [0,0,0,0,0,1|2,0,1]=4 778 B6R0.2 CC(O)CC(=O)O MCULE-3566732882 [0,0,0,0,0,1|1,0,1]=3 779 B6R0.2 CC(O)CC(=O)O MCULE-6537877725 [0,0,0,0,0,1|1,0,1]=3 780 B6R0.2 CC(O)CC(=O)[O-] MCULE-1109368801 [0,0,0,0,0,1|1,0,2]=4 781 B6R0.2 CC(O)CC(=O)[O-] MCULE-5681138302 [0,0,0,0,0,1|1,0,2]=4 782 B6R0.2 CN(C)CC(=O)O MCULE-2303978039 [0,0,0,0,0,1|3,0,0]=4 783 B6R0.2 CN(C)CC(=O)O MCULE-3368936600 [0,0,0,0,0,1|3,0,0]=4 784 B6R0.2 C[C@@H](N)CC(=O)O MCULE-2652696372 [0,0,0,0,0,1|2,0,1]=4 785 B6R0.2 C[C@@H](N)CC(=O)O MCULE-7054489636 [0,0,0,0,0,1|2,0,1]=4 786 B6R0.2 C[C@@H](N)CC(=O)O MCULE-7621851215 [0,0,0,0,0,1|2,0,1]=4 787 B6R0.2 C[C@@H](N)CC(=O)O MCULE-8671397640 [0,0,0,0,0,1|2,0,1]=4 788 B6R0.2 C[C@@H](O)CC(=O)O MCULE-2545577683 [0,0,0,0,0,1|1,0,1]=3 789 B6R0.2 C[C@@H](O)CC(=O)O MCULE-4159227891 [0,0,0,0,0,1|1,0,1]=3 790 B6R0.2 C[C@@H](O)CC(=O)[O-] MCULE-7081161048 [0,0,0,0,0,1|1,0,2]=4 791 B6R0.2 C[C@@H](O)CC(=O)[O-] MCULE-7886150665 [0,0,0,0,0,1|1,0,2]=4 792 B6R0.2 C[C@H](Br)CC(=O)O MCULE-1601745040 [0,0,0,0,0,1|2,0,1]=4 793 B6R0.2 C[C@H](Br)CC(=O)O MCULE-2894930407 [0,0,0,0,0,1|2,0,1]=4 794 B6R0.2 C[C@H](N)CC(=O)O MCULE-2656839691 [0,0,0,0,0,1|2,0,1]=4 795 B6R0.2 C[C@H](N)CC(=O)O MCULE-4695512293 [0,0,0,0,0,1|2,0,1]=4 796 B6R0.2 C[C@H](N)CC(=O)O MCULE-5288044169 [0,0,0,0,0,1|2,0,1]=4 797 B6R0.2 C[C@H](N)CC(=O)O MCULE-6641912058 [0,0,0,0,0,1|2,0,1]=4 798 B6R0.2 C[C@H](O)CC(=O)O MCULE-2857686566 [0,0,0,0,0,1|1,0,1]=3 799 B6R0.2 C[C@H](O)CC(=O)O MCULE-3362266278 [0,0,0,0,0,1|1,0,1]=3 800 B6R0.2 C[C@H](O)CC(=O)[O-] MCULE-3624690550 [0,0,0,0,0,1|1,0,2]=4 801 B6R0.2 C[C@H](O)CC(=O)[O-] MCULE-5550257128 [0,0,0,0,0,1|1,0,2]=4 802 B6R0.2 N=C(N)CC(=O)N MCULE-9200673939 [0,0,0,0,0,1|3,0,0]=4 803 B6R0.2 N=C(N)NC(=O)N MCULE-1919966850 [0,0,0,0,0,1|3,0,0]=4 804 B6R0.2 N=C(N)NC(=O)N MCULE-3428379172 [0,0,0,0,0,1|3,0,0]=4 805 B6R0.2 N=C(N)NC(=O)N MCULE-6044803486 [0,0,0,0,0,1|3,0,0]=4 806 B6R0.2 N=C(N)NC(=O)N MCULE-8893931961 [0,0,0,0,0,1|3,0,0]=4 807 B6R0.2 N=C([NH3+])CC(=O)N MCULE-7769639649 [0,0,0,0,0,1|3,0,0]=4 808 B6R0.2 NC(=O)CC(=O)N MCULE-7675159766 [0,0,0,0,0,1|2,0,0]=3 809 B6R0.2 NC(=O)CC(=O)O MCULE-1168254626 [0,0,0,0,0,1|1,0,0]=2 810 B6R0.2 NC(=O)CC(=S)N MCULE-9383188328 [0,0,0,0,0,1|2,1,0]=4 811 B6R0.2 NC(=O)CN(=O)=O MCULE-2051107739 [0,0,0,0,0,1|2,0,1]=4 812 B6R0.2 NC(=O)CN(=O)=O MCULE-6284821429 [0,0,0,0,0,1|2,0,1]=4 813 B6R0.2 NC(=O)NC(=O)N MCULE-4571627886 [0,0,0,0,0,1|2,0,0]=3 814 B6R0.2 NC(F)CC(=O)O MCULE-1563194776 [0,0,0,0,0,1|2,0,1]=4 815 B6R0.2 NC(F)CC(=O)O MCULE-1655564430 [0,0,0,0,0,1|2,0,1]=4 816 B6R0.2 O=C(Cl)CC(=O)Cl MCULE-8779098368 [0,0,0,0,0,1|2,0,0]=3 817 B6R0.2 O=C(O)C=C(Br)Br MCULE-4379078717 [0,0,0,0,0,1|2,0,0]=3 818 B6R0.2 O=C(O)C=C(Cl)Cl MCULE-5096440659 [0,0,0,0,0,1|2,0,0]=3 819 B6R0.2 O=C(O)CB(O)O MCULE-6408403753 [0,0,0,0,0,1|1,0,1]=3 820 B6R0.2 O=C(O)CC(=O)O MCULE-5893043131 [0,0,0,0,0,1|0,0,0]=1 821 B6R0.2 O=C(O)CC(F)F MCULE-9388620099 [0,0,0,0,0,1|2,0,1]=4 822 B6R0.2 O=C(O)CN(=O)=O MCULE-4962751453 [0,0,0,0,0,1|1,0,1]=3 823 B6R0.2 O=C([O-])CC(=O)[O-] MCULE-2327820884 [0,0,0,0,0,1|0,0,2]=3 824 B6R0.2 O=C([O-])CC(=O)[O-] MCULE-6849635529 [0,0,0,0,0,1|0,0,2]=3 825 B6R0.2 O=C([O-])CN(=O)=O MCULE-4674762686 [0,0,0,0,0,1|1,0,2]=4 826 B3R0.1 Br/C=C/Br MCULE-6284547614 [2,0,0,0,0,0|2,0,0]=4 827 B3R0.1 BrC=CBr MCULE-4478409345 [2,0,0,0,0,0|2,0,0]=4 828 B3R0.1 C#CC=O MCULE-4187736819 [2,0,0,0,0,0|1,0,1]=4 829 B3R0.1 C/C=C/Br MCULE-4076369660 [2,0,0,0,0,0|2,0,0]=4 830 B3R0.1 C/C=N/O MCULE-2376410404 [2,0,0,0,0,0|2,0,0]=4 831 B3R0.1 C=CC=C MCULE-4134157329 [2,0,0,0,0,0|2,0,0]=4 832 B3R0.1 C=CC=O MCULE-2104890669 [2,0,0,0,0,0|1,0,0]=3 833 B3R0.1 C=CCO MCULE-2145308838 [2,0,0,0,0,0|1,0,1]=4 834 B3R0.1 CC=CBr MCULE-2098755460 [2,0,0,0,0,0|2,0,0]=4 835 B3R0.1 CC=CCl MCULE-9225887510 [2,0,0,0,0,0|2,0,0]=4 836 B3R0.1 CC=NO MCULE-9761317381 [2,0,0,0,0,0|2,0,0]=4 837 B3R0.1 CCC=O MCULE-4079744837 [2,0,0,0,0,0|1,0,1]=4 838 B3R0.1 CNC=O MCULE-4739122677 [2,0,0,0,0,0|2,0,0]=4 839 B3R0.1 COC=O MCULE-9122749354 [2,0,0,0,0,0|2,0,0]=4 840 B3R0.1 Cl/C=C/Cl MCULE-8326307647 [2,0,0,0,0,0|2,0,0]=4 841 B3R0.1 Cl/C=C\Cl MCULE-8638364223 [2,0,0,0,0,0|2,0,0]=4 842 B3R0.1 ClC=CCl MCULE-1709740532 [2,0,0,0,0,0|2,0,0]=4 843 B3R0.1 F/C=C/Cl MCULE-6748930384 [2,0,0,0,0,0|2,0,0]=4 844 B3R0.1 FC=CBr MCULE-3730796032 [2,0,0,0,0,0|2,0,0]=4 845 B3R0.1 FC=CCl MCULE-8668714110 [2,0,0,0,0,0|2,0,0]=4 846 B3R0.1 FC=CF MCULE-1668825245 [2,0,0,0,0,0|2,0,0]=4 847 B3R0.1 N/C=N/O MCULE-9567664507 [2,0,0,0,0,0|2,0,0]=4 848 B3R0.1 NNC=O MCULE-6986968107 [2,0,0,0,0,0|2,0,0]=4 849 B3R0.1 NOC=O MCULE-4489199776 [2,0,0,0,0,0|2,0,0]=4 850 B3R0.1 O=CC=O MCULE-3212938778 [2,0,0,0,0,0|0,0,0]=2 851 B3R0.1 O=CCBr MCULE-9076011270 [2,0,0,0,0,0|1,0,1]=4 852 B3R0.1 O=CCCl MCULE-7307216184 [2,0,0,0,0,0|1,0,1]=4 853 B3R0.1 O=CCI MCULE-1146810366 [2,0,0,0,0,0|1,0,1]=4 854 B3R0.1 OCCO MCULE-6366313128 [2,0,0,0,0,0|0,0,2]=4 855 B3R0.2 C=C(C)Br MCULE-7805530064 [2,0,0,0,0,0|2,0,0]=4 856 B3R0.2 C=C(C)C MCULE-5640095130 [2,0,0,0,0,0|2,0,0]=4 857 B3R0.2 C=C(C)Cl MCULE-1752401095 [2,0,0,0,0,0|2,0,0]=4 858 B3R0.2 C=C(C)F MCULE-3213198231 [2,0,0,0,0,0|2,0,0]=4 859 B3R0.2 C=C(Cl)Cl MCULE-1430323756 [2,0,0,0,0,0|2,0,0]=4 860 B3R0.2 C=C(F)Cl MCULE-8528897253 [2,0,0,0,0,0|2,0,0]=4 861 B3R0.2 C=C(F)F MCULE-2471767745 [2,0,0,0,0,0|2,0,0]=4 862 B3R0.2 CB(O)O MCULE-3510763826 [2,0,0,0,0,0|2,0,0]=4 863 B3R0.2 CC(=O)Br MCULE-4892265063 [2,0,0,0,0,0|1,0,1]=4 864 B3R0.2 CC(=O)C MCULE-6679625040 [2,0,0,0,0,0|1,0,1]=4 865 B3R0.2 CC(=O)Cl MCULE-9041746362 [2,0,0,0,0,0|1,0,1]=4 866 B3R0.2 CC(=O)I MCULE-4812718701 [2,0,0,0,0,0|1,0,1]=4 867 B3R0.2 CC(=O)N MCULE-9280264861 [2,0,0,0,0,0|1,0,1]=4 868 B3R0.2 CC(=O)O MCULE-1502330578 [2,0,0,0,0,0|0,0,1]=3 869 B3R0.2 CC(=O)O MCULE-5514028500 [2,0,0,0,0,0|0,0,1]=3 870 B3R0.2 CC(=O)O MCULE-5942589566 [2,0,0,0,0,0|0,0,1]=3 871 B3R0.2 CC(=O)O MCULE-6780070129 [2,0,0,0,0,0|0,0,1]=3 872 B3R0.2 CC(=O)O MCULE-8295936189 [2,0,0,0,0,0|0,0,1]=3 873 B3R0.2 CC(=O)O MCULE-9103972283 [2,0,0,0,0,0|0,0,1]=3 874 B3R0.2 CC(=O)O MCULE-9900518424 [2,0,0,0,0,0|0,0,1]=3 875 B3R0.2 CC(=O)S MCULE-5769447035 [2,0,0,0,0,0|0,1,1]=4 876 B3R0.2 CC(=O)[O-] MCULE-2314460022 [2,0,0,0,0,0|0,0,2]=4 877 B3R0.2 CC(=O)[O-] MCULE-2960771771 [2,0,0,0,0,0|0,0,2]=4 878 B3R0.2 CC(=O)[O-] MCULE-5334052410 [2,0,0,0,0,0|0,0,2]=4 879 B3R0.2 CC(=O)[O-] MCULE-5482908386 [2,0,0,0,0,0|0,0,2]=4 880 B3R0.2 CC(=O)[O-] MCULE-9723570182 [2,0,0,0,0,0|0,0,2]=4 881 B3R0.2 CC(=O)[O-] MCULE-9910426896 [2,0,0,0,0,0|0,0,2]=4 882 B3R0.2 CN(=O)=O MCULE-8704524604 [2,0,0,0,0,0|2,0,0]=4 883 B3R0.2 CS(=O)O MCULE-8711306710 [2,0,0,0,0,0|1,0,1]=4 884 B3R0.2 C[Se](=O)O MCULE-5568767851 [2,0,0,0,0,0|1,0,1]=4 885 B3R0.2 NC(=O)N MCULE-3224868954 [2,0,0,0,0,0|2,0,0]=4 886 B3R0.2 NC(=O)N MCULE-8513891094 [2,0,0,0,0,0|2,0,0]=4 887 B3R0.2 NC(=O)O MCULE-1579038047 [2,0,0,0,0,0|1,0,0]=3 888 B3R0.2 NC(=O)O MCULE-3232812015 [2,0,0,0,0,0|1,0,0]=3 889 B3R0.2 O=C(Cl)[Au] MCULE-6601882022 [2,0,0,0,0,0|2,0,0]=4 890 B3R0.2 O=C(O)O MCULE-3743781291 [2,0,0,0,0,0|0,0,0]=2 891 B3R0.2 O=C(O)O MCULE-6373078171 [2,0,0,0,0,0|0,0,0]=2 892 B3R0.2 O=C([O-])O MCULE-5529655359 [2,0,0,0,0,0|0,0,1]=3 893 B3R0.2 O=C([O-])O MCULE-7293729150 [2,0,0,0,0,0|0,0,1]=3 894 B3R0.2 O=C([O-])[O-] MCULE-1092668330 [2,0,0,0,0,0|0,0,2]=4 895 B3R0.2 O=C([O-])[O-] MCULE-1095103800 [2,0,0,0,0,0|0,0,2]=4 896 B3R0.2 O=C([O-])[O-] MCULE-1597066471 [2,0,0,0,0,0|0,0,2]=4 897 B3R0.2 O=C([O-])[O-] MCULE-2005483457 [2,0,0,0,0,0|0,0,2]=4 898 B3R0.2 O=C([O-])[O-] MCULE-3299525070 [2,0,0,0,0,0|0,0,2]=4 899 B3R0.2 O=C([O-])[O-] MCULE-4074516840 [2,0,0,0,0,0|0,0,2]=4 900 B3R0.2 O=C([O-])[O-] MCULE-4180727513 [2,0,0,0,0,0|0,0,2]=4 901 B3R0.2 O=C([O-])[O-] MCULE-4294265087 [2,0,0,0,0,0|0,0,2]=4 902 B3R0.2 O=C([O-])[O-] MCULE-5127021441 [2,0,0,0,0,0|0,0,2]=4 903 B3R0.2 O=C([O-])[O-] MCULE-5345790821 [2,0,0,0,0,0|0,0,2]=4 904 B3R0.2 O=C([O-])[O-] MCULE-6214917073 [2,0,0,0,0,0|0,0,2]=4 905 B3R0.2 O=C([O-])[O-] MCULE-6757968396 [2,0,0,0,0,0|0,0,2]=4 906 B3R0.2 O=C([O-])[O-] MCULE-7714638074 [2,0,0,0,0,0|0,0,2]=4 907 B3R0.2 O=C([O-])[O-] MCULE-8731559807 [2,0,0,0,0,0|0,0,2]=4 908 B3R0.2 O=I(=O)O MCULE-6335954469 [2,0,0,0,0,0|1,0,0]=3 909 B3R0.2 O=I(=O)O MCULE-7906123102 [2,0,0,0,0,0|1,0,0]=3 910 B3R0.2 O=N(=O)=O MCULE-1959019189 [2,0,0,0,0,0|1,0,1]=4 911 B3R0.2 O=N(=O)=O MCULE-2708947237 [2,0,0,0,0,0|1,0,1]=4 912 B3R0.2 O=N(=O)=O MCULE-5271549027 [2,0,0,0,0,0|1,0,1]=4 913 B3R0.2 O=N(=O)=O MCULE-7854950179 [2,0,0,0,0,0|1,0,1]=4 914 B3R0.2 O=N(=O)=O MCULE-9135268225 [2,0,0,0,0,0|1,0,1]=4 915 B3R0.2 O=N(=O)O MCULE-5926867268 [2,0,0,0,0,0|1,0,0]=3 916 B3R0.2 O=N(=O)O MCULE-8501453871 [2,0,0,0,0,0|1,0,0]=3 917 B3R0.2 O=N(=O)[O-] MCULE-6774438996 [2,0,0,0,0,0|1,0,1]=4 918 B3R0.2 O=P(=O)O MCULE-3007887617 [2,0,0,0,0,0|1,0,0]=3 919 B3R0.2 O=P(=O)[O-] MCULE-1412944829 [2,0,0,0,0,0|1,0,1]=4 920 B3R0.2 O=P(=O)[O-] MCULE-4322560801 [2,0,0,0,0,0|1,0,1]=4 921 B3R0.2 O=P(=O)[O-] MCULE-6900289315 [2,0,0,0,0,0|1,0,1]=4 922 B3R0.2 O=P(O)O MCULE-8889145943 [2,0,0,0,0,0|1,0,0]=3 923 B3R0.2 O=P([O-])O MCULE-3773885400 [2,0,0,0,0,0|1,0,1]=4 924 B3R0.2 O=P([O-])O MCULE-6745348516 [2,0,0,0,0,0|1,0,1]=4 925 B3R0.2 O=S(=O)=O MCULE-3497956371 [2,0,0,0,0,0|1,0,1]=4 926 B3R0.2 O=S(=O)O MCULE-7070708516 [2,0,0,0,0,0|1,0,0]=3 927 B3R0.2 O=S(O)O MCULE-3188569799 [2,0,0,0,0,0|1,0,0]=3 928 B3R0.2 O=S(O)O MCULE-7812738469 [2,0,0,0,0,0|1,0,0]=3 929 B3R0.2 O=[Se](O)O MCULE-9081277469 [2,0,0,0,0,0|1,0,0]=3 930 B3R0.2 O=[Si](O)O MCULE-3228936275 [2,0,0,0,0,0|0,1,0]=3 931 B3R0.2 OB(O)O MCULE-2905906674 [2,0,0,0,0,0|1,0,1]=4 932 B3R0.2 OB(O)O MCULE-8095091838 [2,0,0,0,0,0|1,0,1]=4 933 B3R0.2 OP(O)O MCULE-9313199709 [2,0,0,0,0,0|1,0,1]=4 934 B5R0.1 C#CCC(=O)O MCULE-4680699666 [1,1,0,0,0,0|1,0,1]=4 935 B5R0.1 C/C=C/C(=O)C MCULE-2109656516 [1,1,0,0,0,0|2,0,0]=4 936 B5R0.1 C/C=C/C(=O)Cl MCULE-8378824386 [1,1,0,0,0,0|2,0,0]=4 937 B5R0.1 C/C=C/C(=O)N MCULE-2532228624 [1,1,0,0,0,0|2,0,0]=4 938 B5R0.1 C/C=C/C(=O)O MCULE-6937494852 [1,1,0,0,0,0|1,0,0]=3 939 B5R0.1 C=CCC(=O)Cl MCULE-6033189203 [1,1,0,0,0,0|2,0,0]=4 940 B5R0.1 C=CCC(=O)N MCULE-1205335257 [1,1,0,0,0,0|2,0,0]=4 941 B5R0.1 C=CCC(=O)O MCULE-6288979337 [1,1,0,0,0,0|1,0,0]=3 942 B5R0.1 C=CNC(=O)C MCULE-1260296806 [1,1,0,0,0,0|2,0,0]=4 943 B5R0.1 C=CNC(=O)N MCULE-4235216182 [1,1,0,0,0,0|2,0,0]=4 944 B5R0.1 C=COC(=O)C MCULE-7626795765 [1,1,0,0,0,0|2,0,0]=4 945 B5R0.1 C=COC(=O)Cl MCULE-9915729615 [1,1,0,0,0,0|2,0,0]=4 946 B5R0.1 C=C[CH+]C(=O)[O-] MCULE-7935071431 [1,1,0,0,0,0|1,0,1]=4 947 B5R0.1 CC#CC(=O)O MCULE-9994142213 [1,1,0,0,0,0|1,0,1]=4 948 B5R0.1 CC(=CC=O)C MCULE-7002222435 [1,1,0,0,0,0|2,0,0]=4 949 B5R0.1 CC(=CC=O)Cl MCULE-2279693190 [1,1,0,0,0,0|2,0,0]=4 950 B5R0.1 CC(=CC=O)N MCULE-2659507627 [1,1,0,0,0,0|2,0,0]=4 951 B5R0.1 CC(=CCO)C MCULE-3984123588 [1,1,0,0,0,0|2,0,0]=4 952 B5R0.1 CC(=CCO)Cl MCULE-6459066496 [1,1,0,0,0,0|2,0,0]=4 953 B5R0.1 CC(=CCO)I MCULE-4600854759 [1,1,0,0,0,0|2,0,0]=4 954 B5R0.1 CC(=O)/C=N/O MCULE-5424156575 [1,1,0,0,0,0|1,0,0]=3 955 B5R0.1 CC(=O)/C=N\O MCULE-9083768531 [1,1,0,0,0,0|1,0,0]=3 956 B5R0.1 CC(=O)C=C=O MCULE-4335598177 [1,1,0,0,0,0|1,0,0]=3 957 B5R0.1 CC(=O)C=NO MCULE-5513006918 [1,1,0,0,0,0|1,0,0]=3 958 B5R0.1 CC(=O)CCO MCULE-6328537335 [1,1,0,0,0,0|1,0,1]=4 959 B5R0.1 CC(=O)N=S=O MCULE-1420371815 [1,1,0,0,0,0|2,0,0]=4 960 B5R0.1 CC(=O)NCO MCULE-4563335540 [1,1,0,0,0,0|1,0,1]=4 961 B5R0.1 CC=CC(=O)C MCULE-4826977340 [1,1,0,0,0,0|2,0,0]=4 962 B5R0.1 CC=CC(=O)Cl MCULE-2747622237 [1,1,0,0,0,0|2,0,0]=4 963 B5R0.1 CC=CC(=O)N MCULE-9693879476 [1,1,0,0,0,0|2,0,0]=4 964 B5R0.1 CC=CC(=O)O MCULE-7970410217 [1,1,0,0,0,0|1,0,0]=3 965 B5R0.1 CCCC(=O)O MCULE-4116382006 [1,1,0,0,0,0|1,0,1]=4 966 B5R0.1 CNCC(=O)O MCULE-3448356048 [1,1,0,0,0,0|1,0,1]=4 967 B5R0.1 CNCC(=O)O MCULE-4484444573 [1,1,0,0,0,0|1,0,1]=4 968 B5R0.1 COC=C(C)C MCULE-6348538911 [1,1,0,0,0,0|2,0,0]=4 969 B5R0.1 COCC(=O)C MCULE-7262197587 [1,1,0,0,0,0|1,0,1]=4 970 B5R0.1 COCC(=O)Cl MCULE-5449267495 [1,1,0,0,0,0|1,0,1]=4 971 B5R0.1 COCC(=O)N MCULE-6674958132 [1,1,0,0,0,0|1,0,1]=4 972 B5R0.1 COCC(=O)O MCULE-3945589151 [1,1,0,0,0,0|0,0,1]=3 973 B5R0.1 CONC(=O)C MCULE-6601866630 [1,1,0,0,0,0|2,0,0]=4 974 B5R0.1 CONC(=O)N MCULE-3063713861 [1,1,0,0,0,0|2,0,0]=4 975 B5R0.1 CSCC(=O)O MCULE-7003418159 [1,1,0,0,0,0|0,1,1]=4 976 B5R0.1 N#CCC(=O)O MCULE-3440765061 [1,1,0,0,0,0|1,0,1]=4 977 B5R0.1 N=C(N)NC=O MCULE-2702198735 [1,1,0,0,0,0|2,0,0]=4 978 B5R0.1 NC(=O)C=CCl MCULE-3595468874 [1,1,0,0,0,0|2,0,0]=4 979 B5R0.1 NC(=O)C=NO MCULE-6447662753 [1,1,0,0,0,0|1,0,0]=3 980 B5R0.1 NC(=O)CCO MCULE-4026170350 [1,1,0,0,0,0|1,0,1]=4 981 B5R0.1 NC(=O)NCO MCULE-7403641101 [1,1,0,0,0,0|1,0,1]=4 982 B5R0.1 NC(=O)NN=O MCULE-2820469915 [1,1,0,0,0,0|2,0,0]=4 983 B5R0.1 NCCC(=O)O MCULE-1344289084 [1,1,0,0,0,0|1,0,1]=4 984 B5R0.1 NCCC(=O)O MCULE-2298605337 [1,1,0,0,0,0|1,0,1]=4 985 B5R0.1 NCCC(=O)O MCULE-9375577631 [1,1,0,0,0,0|1,0,1]=4 986 B5R0.1 NNCC(=O)O MCULE-4908184724 [1,1,0,0,0,0|1,0,1]=4 987 B5R0.1 NNCC(=O)O MCULE-6315598774 [1,1,0,0,0,0|1,0,1]=4 988 B5R0.1 NOCC(=O)O MCULE-4566186819 [1,1,0,0,0,0|0,0,1]=3 989 B5R0.1 NOCC(=O)O MCULE-4824237418 [1,1,0,0,0,0|0,0,1]=3 990 B5R0.1 NOCC(=O)O MCULE-8132180423 [1,1,0,0,0,0|0,0,1]=3 991 B5R0.1 O=C(Cl)C=CCl MCULE-7984379237 [1,1,0,0,0,0|2,0,0]=4 992 B5R0.1 O=C(O)/C=C/Br MCULE-7284519266 [1,1,0,0,0,0|1,0,0]=3 993 B5R0.1 O=C(O)/C=C/Cl MCULE-1625781671 [1,1,0,0,0,0|1,0,0]=3 994 B5R0.1 O=C(O)/C=C/I MCULE-3339607379 [1,1,0,0,0,0|1,0,0]=3 995 B5R0.1 O=C(O)/C=C\Br MCULE-6149049313 [1,1,0,0,0,0|1,0,0]=3 996 B5R0.1 O=C(O)/C=C\Cl MCULE-1221996674 [1,1,0,0,0,0|1,0,0]=3 997 B5R0.1 O=C(O)/C=C\I MCULE-3065405012 [1,1,0,0,0,0|1,0,0]=3 998 B5R0.1 O=C(O)/C=N/O MCULE-2471349844 [1,1,0,0,0,0|0,0,0]=2 999 B5R0.1 O=C(O)C#CBr MCULE-1997285471 [1,1,0,0,0,0|1,0,1]=4 1000 B5R0.1 O=C(O)C=CBr MCULE-2956464856 [1,1,0,0,0,0|1,0,0]=3 1001 B5R0.1 O=C(O)C=CCl MCULE-6369812151 [1,1,0,0,0,0|1,0,0]=3 1002 B5R0.1 O=C(O)C=CI MCULE-7162332129 [1,1,0,0,0,0|1,0,0]=3 1003 B5R0.1 O=C(O)C=NO MCULE-2039309679 [1,1,0,0,0,0|0,0,0]=2 1004 B5R0.1 O=C(O)CCBr MCULE-2816055853 [1,1,0,0,0,0|1,0,1]=4 1005 B5R0.1 O=C(O)CCCl MCULE-8511144183 [1,1,0,0,0,0|1,0,1]=4 1006 B5R0.1 O=C(O)CCF MCULE-4382025684 [1,1,0,0,0,0|1,0,1]=4 1007 B5R0.1 O=C(O)CCI MCULE-3371354708 [1,1,0,0,0,0|1,0,1]=4 1008 B5R0.1 O=C(O)CCO MCULE-3428604829 [1,1,0,0,0,0|0,0,1]=3 1009 B5R0.1 O=C(O)CCS MCULE-3211932163 [1,1,0,0,0,0|0,1,1]=4 1010 B5R0.1 O=C(O)CNO MCULE-4437067339 [1,1,0,0,0,0|0,0,1]=3 1011 B5R0.1 O=C([O-])C#CO MCULE-3725047218 [1,1,0,0,0,0|0,0,2]=4 1012 B5R0.1 O=C([O-])C#CO MCULE-9125153565 [1,1,0,0,0,0|0,0,2]=4 1013 B5R0.1 O=C([O-])C=CCl MCULE-4750072789 [1,1,0,0,0,0|1,0,1]=4 1014 B5R0.1 O=C([O-])CCO MCULE-4429611588 [1,1,0,0,0,0|0,0,2]=4 1015 B5R0.1 OCC=C(Cl)Cl MCULE-6473037027 [1,1,0,0,0,0|2,0,0]=4 1016 B5R0.1 P(=O)(O)C=C=C MCULE-4922910477 [1,1,0,0,0,0|2,0,0]=4 1017 B5R0.3 C#CC(=O)OC MCULE-5108326717 [1,1,0,0,0,0|1,0,1]=4 1018 B5R0.3 C/C(=C\N)/C=O MCULE-4713460468 [1,1,0,0,0,0|2,0,0]=4 1019 B5R0.3 C/C=C(\C)/C=O MCULE-2818872726 [1,1,0,0,0,0|2,0,0]=4 1020 B5R0.3 C=C(C=O)CC MCULE-2875154067 [1,1,0,0,0,0|2,0,0]=4 1021 B5R0.3 C=C(CO)CO MCULE-2682601949 [1,1,0,0,0,0|1,0,1]=4 1022 B5R0.3 C=CC(=O)C=C MCULE-8555160354 [1,1,0,0,0,0|2,0,0]=4 1023 B5R0.3 C=CC(=O)CC MCULE-7277696617 [1,1,0,0,0,0|2,0,0]=4 1024 B5R0.3 C=CC(=O)NC MCULE-5619481947 [1,1,0,0,0,0|2,0,0]=4 1025 B5R0.3 C=CC(=O)NN MCULE-4327484127 [1,1,0,0,0,0|2,0,0]=4 1026 B5R0.3 C=CC(=O)NN MCULE-4961696321 [1,1,0,0,0,0|2,0,0]=4 1027 B5R0.3 C=CC(=O)NO MCULE-9528737042 [1,1,0,0,0,0|1,0,0]=3 1028 B5R0.3 C=CC(=O)OC MCULE-6010665978 [1,1,0,0,0,0|1,0,0]=3 1029 B5R0.3 CC(=CI)CO MCULE-8491569199 [1,1,0,0,0,0|2,0,0]=4 1030 B5R0.3 CC(=CN)C=O MCULE-5507488903 [1,1,0,0,0,0|2,0,0]=4 1031 B5R0.3 CC=C(Br)C=O MCULE-4703333701 [1,1,0,0,0,0|2,0,0]=4 1032 B5R0.3 CC=C(C)C=O MCULE-9453566957 [1,1,0,0,0,0|2,0,0]=4 1033 B5R0.3 CCC(=O)CO MCULE-8674894820 [1,1,0,0,0,0|1,0,1]=4 1034 B5R0.3 CCC(=O)NO MCULE-1033164448 [1,1,0,0,0,0|1,0,1]=4 1035 B5R0.3 CCC(=O)OC MCULE-7384824725 [1,1,0,0,0,0|1,0,1]=4 1036 B5R0.3 CN(C=O)C=O MCULE-7774435044 [1,1,0,0,0,0|2,0,0]=4 1037 B5R0.3 CNC(=O)CO MCULE-5899226107 [1,1,0,0,0,0|1,0,1]=4 1038 B5R0.3 CNC(=O)OC MCULE-1162861376 [1,1,0,0,0,0|2,0,0]=4 1039 B5R0.3 COC(=O)C#N MCULE-8762838190 [1,1,0,0,0,0|1,0,1]=4 1040 B5R0.3 COC(=O)C=O MCULE-2685327079 [1,1,0,0,0,0|0,0,0]=2 1041 B5R0.3 COC(=O)CBr MCULE-2684954408 [1,1,0,0,0,0|1,0,1]=4 1042 B5R0.3 COC(=O)CCl MCULE-5886832940 [1,1,0,0,0,0|1,0,1]=4 1043 B5R0.3 COC(=O)CF MCULE-4367430175 [1,1,0,0,0,0|1,0,1]=4 1044 B5R0.3 COC(=O)CI MCULE-9545584156 [1,1,0,0,0,0|1,0,1]=4 1045 B5R0.3 COC(=O)CN MCULE-7462799100 [1,1,0,0,0,0|1,0,1]=4 1046 B5R0.3 COC(=O)CN MCULE-8887061469 [1,1,0,0,0,0|1,0,1]=4 1047 B5R0.3 COC(=O)CO MCULE-8734582763 [1,1,0,0,0,0|0,0,1]=3 1048 B5R0.3 COC(=O)CS MCULE-3020830180 [1,1,0,0,0,0|0,1,1]=4 1049 B5R0.3 COC(=O)NN MCULE-2637794839 [1,1,0,0,0,0|2,0,0]=4 1050 B5R0.3 COC(=O)OC MCULE-7488725621 [1,1,0,0,0,0|2,0,0]=4 1051 B5R0.3 COC(=O)SCl MCULE-1018411491 [1,1,0,0,0,0|2,0,0]=4 1052 B5R0.3 CON(C)C=O MCULE-6743121315 [1,1,0,0,0,0|2,0,0]=4 1053 B5R0.3 N/C(=N/O)/CO MCULE-1684161600 [1,1,0,0,0,0|1,0,1]=4 1054 B5R0.3 NCC(=O)NO MCULE-5417617455 [1,1,0,0,0,0|1,0,1]=4 1055 B5R0.3 NNC(=O)CO MCULE-8443636349 [1,1,0,0,0,0|1,0,1]=4 1056 B5R0.3 NNC(=O)NO MCULE-7106168898 [1,1,0,0,0,0|2,0,0]=4 1057 B5R0.3 O=C(CO)CO MCULE-7188810449 [1,1,0,0,0,0|0,0,1]=3 1058 B5R0.3 O=CC(=CO)Br MCULE-8777401868 [1,1,0,0,0,0|1,0,0]=3 1059 B5R0.3 O=CC(=C[O-])F MCULE-8068241665 [1,1,0,0,0,0|1,0,1]=4 1060 B5R0.3 O=CC(=C[O-])F MCULE-9099292239 [1,1,0,0,0,0|1,0,1]=4 1061 B5R0.3 O=CC(=O)CO MCULE-7273475675 [1,1,0,0,0,0|0,0,0]=2 1062 B5R0.3 O=CC(Br)C=O MCULE-4387864308 [1,1,0,0,0,0|1,0,1]=4 1063 B5R0.3 O=CC(Cl)C=O MCULE-4927811862 [1,1,0,0,0,0|1,0,1]=4 1064 B5R0.3 O=CC(O)CO MCULE-9581740191 [1,1,0,0,0,0|0,0,2]=4 1065 B5R0.3 O=C[C@@H](O)CO MCULE-3883857491 [1,1,0,0,0,0|0,0,2]=4 1066 B5R0.3 O=C[C@@H](O)CO MCULE-7852783182 [1,1,0,0,0,0|0,0,2]=4 1067 B5R0.3 O=C[C@H](O)CO MCULE-4574984840 [1,1,0,0,0,0|0,0,2]=4 1068 B5R0.4 C=CP(=O)(O)O MCULE-3783505051 [1,1,0,0,0,0|2,0,0]=4 1069 B5R0.4 C=CS(=O)(=O)O MCULE-2196938026 [1,1,0,0,0,0|2,0,0]=4 1070 B5R0.4 CC(C)(O)C=O MCULE-2581637282 [1,1,0,0,0,0|1,0,1]=4 1071 B5R0.4 O=P(O)(O)CO MCULE-9997097349 [1,1,0,0,0,0|1,0,1]=4 1072 B5R0.4 O=S(=O)(O)CO MCULE-9647441782 [1,1,0,0,0,0|1,0,1]=4 1073 B7R0.2 C(O)(CN)CC(=O)O MCULE-8378388788 [0,1,0,0,0,1|1,0,1]=4 1074 B7R0.2 C=CC(=O)NC(=O)N MCULE-8826369233 [0,1,0,0,0,1|2,0,0]=4 1075 B7R0.2 C=CC(O)CC(=O)O MCULE-2383393271 [0,1,0,0,0,1|1,0,1]=4 1076 B7R0.2 CC(=CC(=O)O)C=O MCULE-7652207149 [0,1,0,0,0,1|1,0,0]=3 1077 B7R0.2 CC(=O)NC(=O)CBr MCULE-3222708274 [0,1,0,0,0,1|2,0,0]=4 1078 B7R0.2 CCC(=CC(=O)O)C MCULE-3864767099 [0,1,0,0,0,1|2,0,0]=4 1079 B7R0.2 CCC(=O)CC(=O)C MCULE-1892470405 [0,1,0,0,0,1|2,0,0]=4 1080 B7R0.2 CCC(=O)CC(=O)O MCULE-1083768149 [0,1,0,0,0,1|1,0,0]=3 1081 B7R0.2 CCC(=O)OC(=O)C MCULE-8264492254 [0,1,0,0,0,1|2,0,0]=4 1082 B7R0.2 CCC(O)CC(=O)O MCULE-4663578527 [0,1,0,0,0,1|1,0,1]=4 1083 B7R0.2 CCS(=O)CC(=O)O MCULE-5648298475 [0,1,0,0,0,1|2,0,0]=4 1084 B7R0.2 CN(C=O)CC(=O)O MCULE-2679649056 [0,1,0,0,0,1|2,0,0]=4 1085 B7R0.2 CN(CC(=O)O)N=O MCULE-5473244336 [0,1,0,0,0,1|2,0,0]=4 1086 B7R0.2 CNC(=O)CC(=O)C MCULE-4316009681 [0,1,0,0,0,1|2,0,0]=4 1087 B7R0.2 CNC(=O)CC(=O)O MCULE-3506871336 [0,1,0,0,0,1|1,0,0]=3 1088 B7R0.2 CNC(=O)NC(=O)C MCULE-9100713966 [0,1,0,0,0,1|2,0,0]=4 1089 B7R0.2 CNC(=O)NC(=O)N MCULE-8107942434 [0,1,0,0,0,1|2,0,0]=4 1090 B7R0.2 CO/C(=C/C(=O)O)/C MCULE-5031076713 [0,1,0,0,0,1|1,0,0]=3 1091 B7R0.2 COC(=CC(=O)C)C MCULE-1939113485 [0,1,0,0,0,1|2,0,0]=4 1092 B7R0.2 COC(=CC(=O)O)C MCULE-2215306459 [0,1,0,0,0,1|1,0,0]=3 1093 B7R0.2 COC(=O)/C=C(/C)\N MCULE-2378404457 [0,1,0,0,0,1|2,0,0]=4 1094 B7R0.2 COC(=O)/C=C(\C)/N MCULE-7223502425 [0,1,0,0,0,1|2,0,0]=4 1095 B7R0.2 COC(=O)C=C(C)C MCULE-9357284649 [0,1,0,0,0,1|2,0,0]=4 1096 B7R0.2 COC(=O)C=C(C)N MCULE-8452012306 [0,1,0,0,0,1|2,0,0]=4 1097 B7R0.2 COC(=O)C=C(C)[O-] MCULE-2706789496 [0,1,0,0,0,1|1,0,1]=4 1098 B7R0.2 COC(=O)C=C(C)[O-] MCULE-4482386969 [0,1,0,0,0,1|1,0,1]=4 1099 B7R0.2 COC(=O)CC(=N)N MCULE-3622266378 [0,1,0,0,0,1|2,0,0]=4 1100 B7R0.2 COC(=O)CC(=N)N MCULE-8717458518 [0,1,0,0,0,1|2,0,0]=4 1101 B7R0.2 COC(=O)CC(=O)C MCULE-1265364784 [0,1,0,0,0,1|1,0,0]=3 1102 B7R0.2 COC(=O)CC(=O)Cl MCULE-5016603273 [0,1,0,0,0,1|1,0,0]=3 1103 B7R0.2 COC(=O)CC(=O)N MCULE-7129379910 [0,1,0,0,0,1|1,0,0]=3 1104 B7R0.2 COC(=O)CC(=O)O MCULE-7983457925 [0,1,0,0,0,1|0,0,0]=2 1105 B7R0.2 COC(=O)CC(=O)[O-] MCULE-4316322156 [0,1,0,0,0,1|0,0,1]=3 1106 B7R0.2 COC(=O)CC(=S)N MCULE-3325362226 [0,1,0,0,0,1|1,1,0]=4 1107 B7R0.2 COC(=O)CC(C)O MCULE-7542131760 [0,1,0,0,0,1|1,0,1]=4 1108 B7R0.2 COC(=O)CC(C)O MCULE-7559608260 [0,1,0,0,0,1|1,0,1]=4 1109 B7R0.2 COC(=O)CN(=O)=O MCULE-9778666398 [0,1,0,0,0,1|1,0,1]=4 1110 B7R0.2 COC(=O)CS(=O)C MCULE-6286293391 [0,1,0,0,0,1|2,0,0]=4 1111 B7R0.2 COC(=O)C[C@@H](C)O MCULE-1647366037 [0,1,0,0,0,1|1,0,1]=4 1112 B7R0.2 COC(=O)C[C@@H](C)O MCULE-7832771936 [0,1,0,0,0,1|1,0,1]=4 1113 B7R0.2 COC(=O)C[C@H](C)O MCULE-5154734951 [0,1,0,0,0,1|1,0,1]=4 1114 B7R0.2 COC(=O)C[C@H](C)O MCULE-7031738180 [0,1,0,0,0,1|1,0,1]=4 1115 B7R0.2 COC(C)CC(=O)O MCULE-7063015720 [0,1,0,0,0,1|1,0,1]=4 1116 B7R0.2 N/C(=N/O)/CC(=O)O MCULE-5236282846 [0,1,0,0,0,1|1,0,0]=3 1117 B7R0.2 N=C(N)NC(=O)CO MCULE-1435627041 [0,1,0,0,0,1|2,0,0]=4 1118 B7R0.2 NC(=O)C/C(=N\O)/N MCULE-7090967368 [0,1,0,0,0,1|2,0,0]=4 1119 B7R0.2 NC(=O)NC(=O)CBr MCULE-4561848957 [0,1,0,0,0,1|2,0,0]=4 1120 B7R0.2 NC(=O)NC(=O)CCl MCULE-6047100495 [0,1,0,0,0,1|2,0,0]=4 1121 B7R0.2 NC(CO)CC(=O)O MCULE-4749383822 [0,1,0,0,0,1|1,0,1]=4 1122 B7R0.2 NC(CO)CC(=O)O MCULE-7973334774 [0,1,0,0,0,1|1,0,1]=4 1123 B7R0.2 NC(CO)CC(=O)O MCULE-8406665261 [0,1,0,0,0,1|1,0,1]=4 1124 B7R0.2 NCC(O)CC(=O)O MCULE-9221352157 [0,1,0,0,0,1|1,0,1]=4 1125 B7R0.2 NC[C@@H](O)CC(=O)O MCULE-2174350055 [0,1,0,0,0,1|1,0,1]=4 1126 B7R0.2 NC[C@@H](O)CC(=O)O MCULE-8177708130 [0,1,0,0,0,1|1,0,1]=4 1127 B7R0.2 NC[C@H](O)CC(=O)O MCULE-6634973995 [0,1,0,0,0,1|1,0,1]=4 1128 B7R0.2 NC[C@H](O)CC(=O)O MCULE-8055679819 [0,1,0,0,0,1|1,0,1]=4 1129 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-1773927420 [0,1,0,0,0,1|1,0,1]=4 1130 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-2797951743 [0,1,0,0,0,1|1,0,1]=4 1131 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-3839766977 [0,1,0,0,0,1|1,0,1]=4 1132 B7R0.2 N[C@H](CO)CC(=O)O MCULE-4130106630 [0,1,0,0,0,1|1,0,1]=4 1133 B7R0.2 O=C(Br)CC(=O)CBr MCULE-5776576043 [0,1,0,0,0,1|2,0,0]=4 1134 B7R0.2 O=C(Cl)CC(=O)CCl MCULE-6416318811 [0,1,0,0,0,1|2,0,0]=4 1135 B7R0.2 O=C(O)CC(=O)CCl MCULE-9671015150 [0,1,0,0,0,1|1,0,0]=3 1136 B7R0.2 O=C(O)CC(=O)CO MCULE-2224143705 [0,1,0,0,0,1|0,0,0]=2 1137 B7R0.2 O=C(O)CC(O)CO MCULE-2851149196 [0,1,0,0,0,1|0,0,2]=4 1138 B7R0.2 O=C(O)C[C@H](O)CO MCULE-5671818548 [0,1,0,0,0,1|0,0,2]=4 1139 B7R0.2 O=CN(O)CC(=O)O MCULE-7408790227 [0,1,0,0,0,1|1,0,0]=3 1140 B7R0.9 CC(=O)OP(=O)(O)O MCULE-3093243474 [0,1,0,0,0,1|2,0,0]=4 1141 B7R0.9 CC(C)(O)CC(=O)O MCULE-3649642958 [0,1,0,0,0,1|1,0,1]=4 1142 B7R0.9 CS(=O)(=O)CC(=O)O MCULE-1982886035 [0,1,0,0,0,1|1,0,1]=4 1143 B7R0.9 NC(=O)OP(=O)(O)O MCULE-8071699770 [0,1,0,0,0,1|2,0,0]=4 1144 B7R0.9 NS(=O)(=O)CC(=O)O MCULE-1039009855 [0,1,0,0,0,1|1,0,1]=4 1145 B7R0.9 O=C(O)CP(=O)(O)O MCULE-7055994360 [0,1,0,0,0,1|1,0,0]=3 1146 B7R0.9 O=C(O)CS(=O)(=O)O MCULE-4846153382 [0,1,0,0,0,1|1,0,0]=3 1147 B7R0.16 C=C(C(=O)O)C(=O)O MCULE-7540749901 [0,1,0,0,0,1|0,0,0]=2 1148 B7R0.16 C=C(C)C(N)C(=O)O MCULE-1815568719 [0,1,0,0,0,1|2,0,0]=4 1149 B7R0.16 C=C(C)C(N)C(=O)O MCULE-2839869274 [0,1,0,0,0,1|2,0,0]=4 1150 B7R0.16 C=C(C)C(N)C(=O)O MCULE-5015326828 [0,1,0,0,0,1|2,0,0]=4 1151 B7R0.16 C=C(C)C(N)C(=O)O MCULE-5043630144 [0,1,0,0,0,1|2,0,0]=4 1152 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-2007035571 [0,1,0,0,0,1|2,0,0]=4 1153 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-6240689602 [0,1,0,0,0,1|2,0,0]=4 1154 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-8025014656 [0,1,0,0,0,1|2,0,0]=4 1155 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-9704891439 [0,1,0,0,0,1|2,0,0]=4 1156 B7R0.16 CC(=C(Br)C(=O)O)C MCULE-8944482091 [0,1,0,0,0,1|2,0,0]=4 1157 B7R0.16 CC(=C(C)C(=O)O)Br MCULE-9431818570 [0,1,0,0,0,1|2,0,0]=4 1158 B7R0.16 CC(=C(C)C(=O)O)C MCULE-1062537992 [0,1,0,0,0,1|2,0,0]=4 1159 B7R0.16 CC(=C(Cl)C(=O)O)C MCULE-9408683615 [0,1,0,0,0,1|2,0,0]=4 1160 B7R0.16 CC(=C(F)C(=O)O)C MCULE-9025515032 [0,1,0,0,0,1|2,0,0]=4 1161 B7R0.16 CC(=O)C(Br)C(=O)C MCULE-2980550700 [0,1,0,0,0,1|2,0,0]=4 1162 B7R0.16 CC(=O)C(C)C(=O)C MCULE-9607259412 [0,1,0,0,0,1|2,0,0]=4 1163 B7R0.16 CC(=O)C(Cl)C(=O)C MCULE-4716617423 [0,1,0,0,0,1|2,0,0]=4 1164 B7R0.16 CC(=O)C(F)C(=O)C MCULE-4665621902 [0,1,0,0,0,1|2,0,0]=4 1165 B7R0.16 CC(=O)C(N)C(=O)C MCULE-6440496769 [0,1,0,0,0,1|2,0,0]=4 1166 B7R0.16 CC(=O)C(N)C(=O)C MCULE-8525737264 [0,1,0,0,0,1|2,0,0]=4 1167 B7R0.16 CC(=O)N(C)C(=O)C MCULE-6245493539 [0,1,0,0,0,1|2,0,0]=4 1168 B7R0.16 CC(C(=O)Cl)C(=O)Cl MCULE-5269923120 [0,1,0,0,0,1|2,0,0]=4 1169 B7R0.16 CC(C(=O)N)C(=O)N MCULE-4912037399 [0,1,0,0,0,1|2,0,0]=4 1170 B7R0.16 CC(C(=O)O)C(=O)O MCULE-7232226851 [0,1,0,0,0,1|0,0,0]=2 1171 B7R0.16 CC(C(=O)[O-])C(=O)[O-] MCULE-4632089491 [0,1,0,0,0,1|0,0,2]=4 1172 B7R0.16 CC(C(=O)[O-])C(=O)[O-] MCULE-8764180648 [0,1,0,0,0,1|0,0,2]=4 1173 B7R0.16 CC(O)C(C)C(=O)O MCULE-2499360516 [0,1,0,0,0,1|1,0,1]=4 1174 B7R0.16 CC(O)C(N)C(=O)O MCULE-1563595722 [0,1,0,0,0,1|1,0,1]=4 1175 B7R0.16 CC(O)C(N)C(=O)O MCULE-5581920538 [0,1,0,0,0,1|1,0,1]=4 1176 B7R0.16 CN(C(=O)Cl)C(=O)Cl MCULE-8169088410 [0,1,0,0,0,1|2,0,0]=4 1177 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-1663687439 [0,1,0,0,0,1|1,0,1]=4 1178 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-3863591433 [0,1,0,0,0,1|1,0,1]=4 1179 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-8080019797 [0,1,0,0,0,1|1,0,1]=4 1180 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-9284411012 [0,1,0,0,0,1|1,0,1]=4 1181 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-2430667007 [0,1,0,0,0,1|1,0,1]=4 1182 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-2676185993 [0,1,0,0,0,1|1,0,1]=4 1183 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-5254477364 [0,1,0,0,0,1|1,0,1]=4 1184 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-5505393195 [0,1,0,0,0,1|1,0,1]=4 1185 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-7379719940 [0,1,0,0,0,1|1,0,1]=4 1186 B7R0.16 C[C@@H](O)[C@H](O)C(=O)O MCULE-9383777855 [0,1,0,0,0,1|1,0,1]=4 1187 B7R0.16 C[C@H](C(=O)O)[C@@H](C)O MCULE-8875933839 [0,1,0,0,0,1|1,0,1]=4 1188 B7R0.16 C[C@H](O)C(N)C(=O)O MCULE-6661175670 [0,1,0,0,0,1|1,0,1]=4 1189 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-6288272506 [0,1,0,0,0,1|1,0,1]=4 1190 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-7203096302 [0,1,0,0,0,1|1,0,1]=4 1191 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-9531951265 [0,1,0,0,0,1|1,0,1]=4 1192 B7R0.16 C[C@H](O)[C@H](N)C(=O)O MCULE-2246314901 [0,1,0,0,0,1|1,0,1]=4 1193 B7R0.16 C[C@H](O)[C@H](N)C(=O)O MCULE-9478987169 [0,1,0,0,0,1|1,0,1]=4 1194 B7R0.16 NC(=O)C(Br)C(=O)N MCULE-7519162871 [0,1,0,0,0,1|2,0,0]=4 1195 B7R0.16 NC(=O)C(N)C(=O)N MCULE-5338329205 [0,1,0,0,0,1|2,0,0]=4 1196 B7R0.16 NC(C(=O)O)C(=O)O MCULE-6118746267 [0,1,0,0,0,1|0,0,0]=2 1197 B7R0.16 O=C(O)C(=C(Cl)Cl)Cl MCULE-4004262160 [0,1,0,0,0,1|2,0,0]=4 1198 B7R0.16 O=C(O)C(=O)C(=O)O MCULE-9031084199 [0,1,0,0,0,1|0,0,0]=2 1199 B7R0.16 O=C(O)C(Cl)C(=O)O MCULE-9776364495 [0,1,0,0,0,1|0,0,0]=2 1200 B7R0.16 O=C(O)C(F)C(=O)O MCULE-9969055570 [0,1,0,0,0,1|0,0,0]=2 1201 B7R0.16 O=C(O)C(O)C(=O)O MCULE-4232935518 [0,1,0,0,0,1|0,0,0]=2 1202 B7R0.16 O=C([O-])C(=O)C(=O)[O-] MCULE-3642448111 [0,1,0,0,0,1|0,0,2]=4 1203 B7R0.16 O=C([O-])C(=O)C(=O)[O-] MCULE-7835235837 [0,1,0,0,0,1|0,0,2]=4 1204 B7R0.5 C#CCC(O)C(=O)O MCULE-4988425198 [0,2,0,0,0,0|1,0,1]=4 1205 B7R0.5 C=C(Br)C(=O)OCC MCULE-3441307956 [0,2,0,0,0,0|2,0,0]=4 1206 B7R0.5 C=C(C)C(=O)NCO MCULE-2758821094 [0,2,0,0,0,0|2,0,0]=4 1207 B7R0.5 C=C(C)C(=O)OCC MCULE-9496497565 [0,2,0,0,0,0|2,0,0]=4 1208 B7R0.5 C=C(CCC)C(=O)O MCULE-5702167426 [0,2,0,0,0,0|2,0,0]=4 1209 B7R0.5 C=C(CCO)C(=O)O MCULE-3336434079 [0,2,0,0,0,0|1,0,0]=3 1210 B7R0.5 C=C(COC)C(=O)O MCULE-8964616960 [0,2,0,0,0,0|1,0,0]=3 1211 B7R0.5 C=CC=C(C)C(=O)O MCULE-9568360048 [0,2,0,0,0,0|2,0,0]=4 1212 B7R0.5 C=CCC(O)C(=O)O MCULE-6418899544 [0,2,0,0,0,0|1,0,1]=4 1213 B7R0.5 C=CC[C@@H](O)C(=O)O MCULE-4103471826 [0,2,0,0,0,0|1,0,1]=4 1214 B7R0.5 C=CC[C@H](O)C(=O)O MCULE-8230827617 [0,2,0,0,0,0|1,0,1]=4 1215 B7R0.5 C=COC(=O)C(=C)C MCULE-3204745409 [0,2,0,0,0,0|2,0,0]=4 1216 B7R0.5 CC(CCO)C(=O)O MCULE-9724304469 [0,2,0,0,0,0|1,0,1]=4 1217 B7R0.5 CC(NC=O)C(=O)O MCULE-7277951464 [0,2,0,0,0,0|1,0,1]=4 1218 B7R0.5 CC/C=C(\C)/C(=O)O MCULE-1290613859 [0,2,0,0,0,0|2,0,0]=4 1219 B7R0.5 CC=CC(O)C(=O)O MCULE-5249095255 [0,2,0,0,0,0|1,0,1]=4 1220 B7R0.5 CCC=C(C)C(=O)O MCULE-5045441145 [0,2,0,0,0,0|2,0,0]=4 1221 B7R0.5 CCC=C(F)C(=O)O MCULE-6630499680 [0,2,0,0,0,0|2,0,0]=4 1222 B7R0.5 CCCC(=O)C(=O)C MCULE-8267463586 [0,2,0,0,0,0|2,0,0]=4 1223 B7R0.5 CCCC(=O)C(=O)N MCULE-6625605588 [0,2,0,0,0,0|2,0,0]=4 1224 B7R0.5 CCCC(=O)C(=O)O MCULE-5281491858 [0,2,0,0,0,0|1,0,0]=3 1225 B7R0.5 CCCC(O)C(=O)O MCULE-8533446195 [0,2,0,0,0,0|1,0,1]=4 1226 B7R0.5 CCCC(O)C(=O)O MCULE-9586449213 [0,2,0,0,0,0|1,0,1]=4 1227 B7R0.5 CCC[C@@H](O)C(=O)O MCULE-2742119346 [0,2,0,0,0,0|1,0,1]=4 1228 B7R0.5 CCC[C@H](O)C(=O)O MCULE-6533548138 [0,2,0,0,0,0|1,0,1]=4 1229 B7R0.5 CCC[C@H](O)C(=O)O MCULE-8321722254 [0,2,0,0,0,0|1,0,1]=4 1230 B7R0.5 CCNC(=O)C(=O)O MCULE-1213485294 [0,2,0,0,0,0|1,0,0]=3 1231 B7R0.5 CCOC(=O)C(=N)N MCULE-4853735680 [0,2,0,0,0,0|2,0,0]=4 1232 B7R0.5 CCOC(=O)C(=N)N MCULE-9212797796 [0,2,0,0,0,0|2,0,0]=4 1233 B7R0.5 CCOC(=O)C(=O)C MCULE-5817261721 [0,2,0,0,0,0|1,0,0]=3 1234 B7R0.5 CCOC(=O)C(=O)Cl MCULE-6454421959 [0,2,0,0,0,0|1,0,0]=3 1235 B7R0.5 CCOC(=O)C(=O)N MCULE-2968497645 [0,2,0,0,0,0|1,0,0]=3 1236 B7R0.5 CCOC(=O)C(=O)O MCULE-2368024441 [0,2,0,0,0,0|0,0,0]=2 1237 B7R0.5 CCOC(=O)C(=O)[O-] MCULE-1807862684 [0,2,0,0,0,0|0,0,1]=3 1238 B7R0.5 CCOC(=O)C(=S)N MCULE-3285821799 [0,2,0,0,0,0|1,1,0]=4 1239 B7R0.5 CCOC(=O)C(C)O MCULE-8057202883 [0,2,0,0,0,0|1,0,1]=4 1240 B7R0.5 CCOC(=O)C(C)O MCULE-9679398205 [0,2,0,0,0,0|1,0,1]=4 1241 B7R0.5 CCOC(=O)[C@@H](C)O MCULE-3372948910 [0,2,0,0,0,0|1,0,1]=4 1242 B7R0.5 CCOC(=O)[C@@H](C)O MCULE-5795033916 [0,2,0,0,0,0|1,0,1]=4 1243 B7R0.5 CCOC(=O)[C@H](C)O MCULE-4333545760 [0,2,0,0,0,0|1,0,1]=4 1244 B7R0.5 CCOC(=O)[C@H](C)O MCULE-8787861948 [0,2,0,0,0,0|1,0,1]=4 1245 B7R0.5 CCOC(=S)C(=O)N MCULE-4600711043 [0,2,0,0,0,0|1,1,0]=4 1246 B7R0.5 CCOC(C)C(=O)O MCULE-2185795311 [0,2,0,0,0,0|1,0,1]=4 1247 B7R0.5 COCC(Br)C(=O)O MCULE-2977381282 [0,2,0,0,0,0|1,0,1]=4 1248 B7R0.5 COCC(C)C(=O)O MCULE-9776415948 [0,2,0,0,0,0|1,0,1]=4 1249 B7R0.5 COCC(Cl)C(=O)O MCULE-1439107016 [0,2,0,0,0,0|1,0,1]=4 1250 B7R0.5 COCC(N)C(=O)O MCULE-4336440568 [0,2,0,0,0,0|1,0,1]=4 1251 B7R0.5 COCC(N)C(=O)O MCULE-4899043582 [0,2,0,0,0,0|1,0,1]=4 1252 B7R0.5 COCC(N)C(=O)O MCULE-6964823693 [0,2,0,0,0,0|1,0,1]=4 1253 B7R0.5 COCC(N)C(=O)O MCULE-7037870255 [0,2,0,0,0,0|1,0,1]=4 1254 B7R0.5 COCC(O)C(=O)O MCULE-3185498869 [0,2,0,0,0,0|0,0,2]=4 1255 B7R0.5 COC[C@@H](N)C(=O)O MCULE-1827086666 [0,2,0,0,0,0|1,0,1]=4 1256 B7R0.5 COC[C@@H](N)C(=O)O MCULE-4868456769 [0,2,0,0,0,0|1,0,1]=4 1257 B7R0.5 COC[C@@H](N)C(=O)O MCULE-5275247485 [0,2,0,0,0,0|1,0,1]=4 1258 B7R0.5 COC[C@@H](N)C(=O)O MCULE-7339751251 [0,2,0,0,0,0|1,0,1]=4 1259 B7R0.5 COC[C@H](N)C(=O)O MCULE-3719679803 [0,2,0,0,0,0|1,0,1]=4 1260 B7R0.5 COC[C@H](N)C(=O)O MCULE-4874807874 [0,2,0,0,0,0|1,0,1]=4 1261 B7R0.5 COC[C@H](N)C(=O)O MCULE-5303156917 [0,2,0,0,0,0|1,0,1]=4 1262 B7R0.5 COC[C@H](N)C(=O)O MCULE-8138564560 [0,2,0,0,0,0|1,0,1]=4 1263 B7R0.5 CON=C(C)C(=O)O MCULE-8599774085 [0,2,0,0,0,0|1,0,0]=3 1264 B7R0.5 C[C@H](NC=O)C(=O)O MCULE-3824082361 [0,2,0,0,0,0|1,0,1]=4 1265 B7R0.5 C[C@H](NC=O)C(=O)O MCULE-5248110352 [0,2,0,0,0,0|1,0,1]=4 1266 B7R0.5 NC(CCO)C(=O)O MCULE-1744838687 [0,2,0,0,0,0|1,0,1]=4 1267 B7R0.5 NC(CCO)C(=O)O MCULE-9642233758 [0,2,0,0,0,0|1,0,1]=4 1268 B7R0.5 NC(CNO)C(=O)O MCULE-2332662988 [0,2,0,0,0,0|1,0,1]=4 1269 B7R0.5 NCCC(O)C(=O)O MCULE-3670080484 [0,2,0,0,0,0|1,0,1]=4 1270 B7R0.5 NCCC(O)C(=O)O MCULE-6540935279 [0,2,0,0,0,0|1,0,1]=4 1271 B7R0.5 NCC[C@@H](O)C(=O)O MCULE-9726912888 [0,2,0,0,0,0|1,0,1]=4 1272 B7R0.5 NCC[C@H](O)C(=O)O MCULE-3296998083 [0,2,0,0,0,0|1,0,1]=4 1273 B7R0.5 NCC[C@H](O)C(=O)O MCULE-7901866019 [0,2,0,0,0,0|1,0,1]=4 1274 B7R0.5 NOC[C@H](N)C(=O)O MCULE-1050292176 [0,2,0,0,0,0|1,0,1]=4 1275 B7R0.5 N[C@@H](CCO)C(=O)O MCULE-2370353784 [0,2,0,0,0,0|1,0,1]=4 1276 B7R0.5 N[C@@H](CCO)C(=O)O MCULE-4861747928 [0,2,0,0,0,0|1,0,1]=4 1277 B7R0.5 N[C@H](CCO)C(=O)O MCULE-8005652100 [0,2,0,0,0,0|1,0,1]=4 1278 B7R0.5 N[C@H](CCO)C(=O)O MCULE-8613625039 [0,2,0,0,0,0|1,0,1]=4 1279 B7R0.5 O=C(O)C(O)CCO MCULE-9096271794 [0,2,0,0,0,0|0,0,2]=4 1280 B7R0.10 C/C(=N/O)/C(=N/O)/C MCULE-1134871085 [0,2,0,0,0,0|2,0,0]=4 1281 B7R0.10 C/C(=N\O)/C(=N/O)/C MCULE-1994287565 [0,2,0,0,0,0|2,0,0]=4 1282 B7R0.10 C/C(=N\O)/C(=N/O)/N MCULE-8105401552 [0,2,0,0,0,0|2,0,0]=4 1283 B7R0.10 C/C=C(/C)\C(=O)OC MCULE-6490619453 [0,2,0,0,0,0|2,0,0]=4 1284 B7R0.10 C/C=C(\C)/C(=O)OC MCULE-2521624465 [0,2,0,0,0,0|2,0,0]=4 1285 B7R0.10 C=C(C#N)C(=O)OC MCULE-4928080553 [0,2,0,0,0,0|2,0,0]=4 1286 B7R0.10 C=C(CBr)C(=O)OC MCULE-7991860093 [0,2,0,0,0,0|2,0,0]=4 1287 B7R0.10 C=C(CC)C(=O)OC MCULE-2064145693 [0,2,0,0,0,0|2,0,0]=4 1288 B7R0.10 C=C(CCl)C(=O)OC MCULE-8356509776 [0,2,0,0,0,0|2,0,0]=4 1289 B7R0.10 C=C(CO)C(=O)OC MCULE-8888105984 [0,2,0,0,0,0|1,0,0]=3 1290 B7R0.10 C=C(OC)C(=O)OC MCULE-3256769494 [0,2,0,0,0,0|1,0,0]=3 1291 B7R0.10 C=CC(O)C(=O)OC MCULE-8475572887 [0,2,0,0,0,0|1,0,1]=4 1292 B7R0.10 CC(=NO)/C(=N/O)/N MCULE-5306915355 [0,2,0,0,0,0|2,0,0]=4 1293 B7R0.10 CC(=NO)C(=NO)C MCULE-8117737389 [0,2,0,0,0,0|2,0,0]=4 1294 B7R0.10 CC=C(Br)C(=O)OC MCULE-8210439839 [0,2,0,0,0,0|2,0,0]=4 1295 B7R0.10 CC=C(C)C(=O)OC MCULE-7431996149 [0,2,0,0,0,0|2,0,0]=4 1296 B7R0.10 CCC(=O)C(=NO)C MCULE-5669219787 [0,2,0,0,0,0|2,0,0]=4 1297 B7R0.10 CCC(=O)C(=O)CC MCULE-4346857339 [0,2,0,0,0,0|2,0,0]=4 1298 B7R0.10 CCC(=O)C(=O)OC MCULE-6526576267 [0,2,0,0,0,0|1,0,0]=3 1299 B7R0.10 CCC(O)C(=O)OC MCULE-8768500574 [0,2,0,0,0,0|1,0,1]=4 1300 B7R0.10 CC[C@@H](O)C(=O)OC MCULE-6916010003 [0,2,0,0,0,0|1,0,1]=4 1301 B7R0.10 CC[C@@H](O)C(=O)OC MCULE-9376722018 [0,2,0,0,0,0|1,0,1]=4 1302 B7R0.10 CC[C@H](O)C(=O)OC MCULE-5873092635 [0,2,0,0,0,0|1,0,1]=4 1303 B7R0.10 CC[C@H](O)C(=O)OC MCULE-8209874812 [0,2,0,0,0,0|1,0,1]=4 1304 B7R0.10 CNC(=O)/C(=N/O)/N MCULE-4165941405 [0,2,0,0,0,0|2,0,0]=4 1305 B7R0.10 CNC(=O)C(=NO)C MCULE-5419636892 [0,2,0,0,0,0|2,0,0]=4 1306 B7R0.10 CNC(=O)C(=O)NC MCULE-5993874240 [0,2,0,0,0,0|2,0,0]=4 1307 B7R0.10 CNC(=O)C(=O)OC MCULE-1771479923 [0,2,0,0,0,0|1,0,0]=3 1308 B7R0.10 COC(=O)/C(=C/Br)/C MCULE-9213242172 [0,2,0,0,0,0|2,0,0]=4 1309 B7R0.10 COC(=O)/C(=C/Cl)/Cl MCULE-7181141754 [0,2,0,0,0,0|2,0,0]=4 1310 B7R0.10 COC(=O)/C(=C/[O-])/Cl MCULE-5795286951 [0,2,0,0,0,0|1,0,1]=4 1311 B7R0.10 COC(=O)/C(=C/[O-])/Cl MCULE-6102470934 [0,2,0,0,0,0|1,0,1]=4 1312 B7R0.10 COC(=O)/C(=N/O)/N MCULE-6279341489 [0,2,0,0,0,0|1,0,0]=3 1313 B7R0.10 COC(=O)C(=CBr)C MCULE-2452279572 [0,2,0,0,0,0|2,0,0]=4 1314 B7R0.10 COC(=O)C(=O)CBr MCULE-7596502094 [0,2,0,0,0,0|1,0,0]=3 1315 B7R0.10 COC(=O)C(=O)NN MCULE-7834741474 [0,2,0,0,0,0|1,0,0]=3 1316 B7R0.10 COC(=O)C(=O)OC MCULE-5018268642 [0,2,0,0,0,0|0,0,0]=2 1317 B7R0.10 COC(=O)C(Br)CO MCULE-1678765423 [0,2,0,0,0,0|1,0,1]=4 1318 B7R0.10 COC(=O)C(Br)CO MCULE-8437488397 [0,2,0,0,0,0|1,0,1]=4 1319 B7R0.10 COC(=O)C(Br)OC MCULE-5672396067 [0,2,0,0,0,0|1,0,1]=4 1320 B7R0.10 COC(=O)C(C)C=O MCULE-8461987901 [0,2,0,0,0,0|1,0,1]=4 1321 B7R0.10 COC(=O)C(C)CO MCULE-1168600238 [0,2,0,0,0,0|1,0,1]=4 1322 B7R0.10 COC(=O)C(C)CO MCULE-9207150786 [0,2,0,0,0,0|1,0,1]=4 1323 B7R0.10 COC(=O)C(C)OC MCULE-3274761391 [0,2,0,0,0,0|1,0,1]=4 1324 B7R0.10 COC(=O)C(C)ON MCULE-1829014190 [0,2,0,0,0,0|1,0,1]=4 1325 B7R0.10 COC(=O)C(C)ON MCULE-4104938309 [0,2,0,0,0,0|1,0,1]=4 1326 B7R0.10 COC(=O)C(Cl)C=O MCULE-1767241035 [0,2,0,0,0,0|1,0,1]=4 1327 B7R0.10 COC(=O)C(Cl)CO MCULE-9496750776 [0,2,0,0,0,0|1,0,1]=4 1328 B7R0.10 COC(=O)C(Cl)OC MCULE-8296320773 [0,2,0,0,0,0|1,0,1]=4 1329 B7R0.10 COC(=O)C(F)CO MCULE-2188518229 [0,2,0,0,0,0|1,0,1]=4 1330 B7R0.10 COC(=O)C(N)CO MCULE-1874204534 [0,2,0,0,0,0|1,0,1]=4 1331 B7R0.10 COC(=O)C(N)CO MCULE-1907797317 [0,2,0,0,0,0|1,0,1]=4 1332 B7R0.10 COC(=O)C(N)CO MCULE-3851022091 [0,2,0,0,0,0|1,0,1]=4 1333 B7R0.10 COC(=O)C(N)CO MCULE-9875856930 [0,2,0,0,0,0|1,0,1]=4 1334 B7R0.10 COC(=O)C(O)C#N MCULE-2296440580 [0,2,0,0,0,0|1,0,1]=4 1335 B7R0.10 COC(=O)C(O)CCl MCULE-1480405341 [0,2,0,0,0,0|1,0,1]=4 1336 B7R0.10 COC(=O)C(O)CN MCULE-1003241246 [0,2,0,0,0,0|1,0,1]=4 1337 B7R0.10 COC(=O)C(O)CN MCULE-9006804473 [0,2,0,0,0,0|1,0,1]=4 1338 B7R0.10 COC(=O)C(O)CO MCULE-1234820163 [0,2,0,0,0,0|0,0,2]=4 1339 B7R0.10 COC(=O)C(O)CO MCULE-2142801284 [0,2,0,0,0,0|0,0,2]=4 1340 B7R0.10 COC(=O)C(O)OC MCULE-5465190164 [0,2,0,0,0,0|0,0,2]=4 1341 B7R0.10 COC(=O)[C@@H](Br)CO MCULE-8075978888 [0,2,0,0,0,0|1,0,1]=4 1342 B7R0.10 COC(=O)[C@@H](Br)CO MCULE-8903256620 [0,2,0,0,0,0|1,0,1]=4 1343 B7R0.10 COC(=O)[C@@H](C)CO MCULE-6738074317 [0,2,0,0,0,0|1,0,1]=4 1344 B7R0.10 COC(=O)[C@@H](C)CO MCULE-9697255968 [0,2,0,0,0,0|1,0,1]=4 1345 B7R0.10 COC(=O)[C@@H](N)CO MCULE-2171593224 [0,2,0,0,0,0|1,0,1]=4 1346 B7R0.10 COC(=O)[C@@H](N)CO MCULE-3393088985 [0,2,0,0,0,0|1,0,1]=4 1347 B7R0.10 COC(=O)[C@@H](N)CO MCULE-5476910845 [0,2,0,0,0,0|1,0,1]=4 1348 B7R0.10 COC(=O)[C@@H](N)CO MCULE-9984439264 [0,2,0,0,0,0|1,0,1]=4 1349 B7R0.10 COC(=O)[C@@H](O)CN MCULE-1265508864 [0,2,0,0,0,0|1,0,1]=4 1350 B7R0.10 COC(=O)[C@@H](O)CN MCULE-2334791448 [0,2,0,0,0,0|1,0,1]=4 1351 B7R0.10 COC(=O)[C@@H](O)CN MCULE-6207278824 [0,2,0,0,0,0|1,0,1]=4 1352 B7R0.10 COC(=O)[C@@H](O)CN MCULE-6634004594 [0,2,0,0,0,0|1,0,1]=4 1353 B7R0.10 COC(=O)[C@@H](O)CO MCULE-3655137528 [0,2,0,0,0,0|0,0,2]=4 1354 B7R0.10 COC(=O)[C@@H](O)CO MCULE-5801355812 [0,2,0,0,0,0|0,0,2]=4 1355 B7R0.10 COC(=O)[C@H](Br)CO MCULE-8230787734 [0,2,0,0,0,0|1,0,1]=4 1356 B7R0.10 COC(=O)[C@H](C)C=O MCULE-9841785503 [0,2,0,0,0,0|1,0,1]=4 1357 B7R0.10 COC(=O)[C@H](C)CO MCULE-5719676432 [0,2,0,0,0,0|1,0,1]=4 1358 B7R0.10 COC(=O)[C@H](C)CO MCULE-8479546806 [0,2,0,0,0,0|1,0,1]=4 1359 B7R0.10 COC(=O)[C@H](C)OC MCULE-3095326114 [0,2,0,0,0,0|1,0,1]=4 1360 B7R0.10 COC(=O)[C@H](N)CO MCULE-4463451892 [0,2,0,0,0,0|1,0,1]=4 1361 B7R0.10 COC(=O)[C@H](N)CO MCULE-5622938569 [0,2,0,0,0,0|1,0,1]=4 1362 B7R0.10 COC(=O)[C@H](N)CO MCULE-6021580541 [0,2,0,0,0,0|1,0,1]=4 1363 B7R0.10 COC(=O)[C@H](N)CO MCULE-8237708167 [0,2,0,0,0,0|1,0,1]=4 1364 B7R0.10 COC(=O)[C@H](O)CN MCULE-5902729244 [0,2,0,0,0,0|1,0,1]=4 1365 B7R0.10 COC(=O)[C@H](O)CN MCULE-9252373981 [0,2,0,0,0,0|1,0,1]=4 1366 B7R0.10 COC(=O)[C@H](O)CO MCULE-4219956218 [0,2,0,0,0,0|0,0,2]=4 1367 B7R0.10 COC(=O)[C@H](O)CO MCULE-8891571940 [0,2,0,0,0,0|0,0,2]=4 1368 B7R0.10 N/C(=N\O)/C(=N/O)/N MCULE-4305290462 [0,2,0,0,0,0|2,0,0]=4 1369 B7R0.10 NNC(=O)C(=O)NN MCULE-6351884673 [0,2,0,0,0,0|2,0,0]=4 1370 B7R0.10 O/N=C(/Cl)\C(=N/O)\Cl MCULE-4809907914 [0,2,0,0,0,0|2,0,0]=4 1371 B7R0.10 O/N=C(\Cl)/C(=N/O)/Cl MCULE-4837196714 [0,2,0,0,0,0|2,0,0]=4 1372 B7R0.10 O=C(CBr)C(=O)CBr MCULE-2533799421 [0,2,0,0,0,0|2,0,0]=4 1373 B7R0.10 O=C(CO)C(O)CO MCULE-9818197491 [0,2,0,0,0,0|0,0,2]=4 1374 B7R0.10 O=C(CO)[C@@H](O)CO MCULE-8306776225 [0,2,0,0,0,0|0,0,2]=4 1375 B7R0.10 O=C(CO)[C@@H](O)CO MCULE-8666498937 [0,2,0,0,0,0|0,0,2]=4 1376 B7R0.10 O=C(CO)[C@H](O)CO MCULE-7828531161 [0,2,0,0,0,0|0,0,2]=4 1377 B7R0.10 O=CC(O)C(O)C=O MCULE-3439629952 [0,2,0,0,0,0|0,0,2]=4 1378 B7R0.10 OC/C(=C(\Br)/CO)/Br MCULE-4124313752 [0,2,0,0,0,0|2,0,0]=4 1379 B7R0.10 OC/C(=C(\I)/CO)/I MCULE-1498396594 [0,2,0,0,0,0|2,0,0]=4 1380 B7R0.10 OCC(=C(Br)CO)Br MCULE-5802887340 [0,2,0,0,0,0|2,0,0]=4 1381 B7R0.10 OCC(=C(I)CO)I MCULE-4534512400 [0,2,0,0,0,0|2,0,0]=4 1382 B7R0.10 ON=C(Br)C(=NO)Br MCULE-5950167273 [0,2,0,0,0,0|2,0,0]=4 1383 B7R0.10 ON=C(Cl)C(=NO)Cl MCULE-7061122849 [0,2,0,0,0,0|2,0,0]=4 1384 B7R0.13 C=CC(C)(O)C(=O)O MCULE-2362688567 [0,2,0,0,0,0|1,0,1]=4 1385 B7R0.13 CC(C)(CO)C(=O)O MCULE-8700273400 [0,2,0,0,0,0|1,0,1]=4 1386 B7R0.13 CC(C)(ON)C(=O)O MCULE-3628409953 [0,2,0,0,0,0|1,0,1]=4 1387 B7R0.13 CC(C)(ON)C(=O)O MCULE-4840137554 [0,2,0,0,0,0|1,0,1]=4 1388 B7R0.13 CC(N)(CO)C(=O)O MCULE-5973815630 [0,2,0,0,0,0|1,0,1]=4 1389 B7R0.13 CC(N)(CO)C(=O)O MCULE-6877149014 [0,2,0,0,0,0|1,0,1]=4 1390 B7R0.13 CC(O)(CBr)C(=O)O MCULE-4224343890 [0,2,0,0,0,0|1,0,1]=4 1391 B7R0.13 CC(O)(CBr)C(=O)O MCULE-5597565903 [0,2,0,0,0,0|1,0,1]=4 1392 B7R0.13 CC(O)(CO)C(=O)O MCULE-5566145169 [0,2,0,0,0,0|0,0,2]=4 1393 B7R0.13 CCC(C)(O)C(=O)O MCULE-1193062860 [0,2,0,0,0,0|1,0,1]=4 1394 B7R0.13 CC[C@](C)(O)C(=O)O MCULE-3871181536 [0,2,0,0,0,0|1,0,1]=4 1395 B7R0.13 COC(C)(C)C(=O)O MCULE-6977996423 [0,2,0,0,0,0|1,0,1]=4 1396 B7R0.13 C[C@@](N)(CO)C(=O)O MCULE-2146963065 [0,2,0,0,0,0|1,0,1]=4 1397 B7R0.13 C[C@@](N)(CO)C(=O)O MCULE-7622447669 [0,2,0,0,0,0|1,0,1]=4 1398 B7R0.13 C[C@@](O)(CBr)C(=O)O MCULE-2382162129 [0,2,0,0,0,0|1,0,1]=4 1399 B7R0.13 C[C@@](O)(CBr)C(=O)O MCULE-7944927738 [0,2,0,0,0,0|1,0,1]=4 1400 B7R0.13 C[C@](N)(CO)C(=O)O MCULE-2760852916 [0,2,0,0,0,0|1,0,1]=4 1401 B7R0.13 C[C@](N)(CO)C(=O)O MCULE-4734633152 [0,2,0,0,0,0|1,0,1]=4 1402 B7R0.13 C[C@](O)(CBr)C(=O)O MCULE-1143505996 [0,2,0,0,0,0|1,0,1]=4 1403 B7R0.13 C[C@](O)(CBr)C(=O)O MCULE-7898456152 [0,2,0,0,0,0|1,0,1]=4 1404 B7R0.13 O=C(O)C(F)(F)CO MCULE-4913704401 [0,2,0,0,0,0|1,0,1]=4 1405 B7R0.14 COC(=O)C(C)(C)O MCULE-2680975247 [0,2,0,0,0,0|1,0,1]=4 1406 B7R0.15 C#CC(OC)C(=O)O MCULE-9292798546 [0,2,0,0,0,0|1,0,1]=4 1407 B7R0.15 C/C=C(\C#N)/C(=O)O MCULE-4984827905 [0,2,0,0,0,0|2,0,0]=4 1408 B7R0.15 CC(=O)C(=NO)C#N MCULE-7581545205 [0,2,0,0,0,0|2,0,0]=4 1409 B7R0.15 CC=C(C#N)C(=O)O MCULE-5255376210 [0,2,0,0,0,0|2,0,0]=4 1410 B7R0.15 CC=C(CC)C(=O)O MCULE-9303879981 [0,2,0,0,0,0|2,0,0]=4 1411 B7R0.15 CCC(CO)C(=O)O MCULE-9435802738 [0,2,0,0,0,0|1,0,1]=4 1412 B7R0.15 CCC(NO)C(=O)O MCULE-1962461048 [0,2,0,0,0,0|1,0,1]=4 1413 B7R0.15 CCC(OC)C(=O)O MCULE-2475290794 [0,2,0,0,0,0|1,0,1]=4 1414 B7R0.15 CC[C@H](CO)C(=O)O MCULE-3017159819 [0,2,0,0,0,0|1,0,1]=4 1415 B7R0.15 CNC(CO)C(=O)O MCULE-1439435474 [0,2,0,0,0,0|1,0,1]=4 1416 B7R0.15 CNC(CO)C(=O)O MCULE-7611211207 [0,2,0,0,0,0|1,0,1]=4 1417 B7R0.15 CN[C@@H](CO)C(=O)O MCULE-3320307572 [0,2,0,0,0,0|1,0,1]=4 1418 B7R0.15 CN[C@@H](CO)C(=O)O MCULE-5844994620 [0,2,0,0,0,0|1,0,1]=4 1419 B7R0.15 CN[C@@H](CO)C(=O)O MCULE-6293854138 [0,2,0,0,0,0|1,0,1]=4 1420 B7R0.15 CN[C@@H](CO)C(=O)O MCULE-6463850730 [0,2,0,0,0,0|1,0,1]=4 1421 B7R0.15 CN[C@H](CO)C(=O)O MCULE-1791141182 [0,2,0,0,0,0|1,0,1]=4 1422 B7R0.15 CN[C@H](CO)C(=O)O MCULE-9346314213 [0,2,0,0,0,0|1,0,1]=4 1423 B7R0.15 COC(CBr)C(=O)O MCULE-5528365617 [0,2,0,0,0,0|1,0,1]=4 1424 B7R0.15 COC(CN)C(=O)O MCULE-1561937449 [0,2,0,0,0,0|1,0,1]=4 1425 B7R0.15 COC(CN)C(=O)O MCULE-7501291426 [0,2,0,0,0,0|1,0,1]=4 1426 B7R0.15 COC(OC)C(=O)O MCULE-3341727181 [0,2,0,0,0,0|0,0,2]=4 1427 B7R0.15 CO[C@@H](CN)C(=O)O MCULE-5536624827 [0,2,0,0,0,0|1,0,1]=4 1428 B7R0.15 CO[C@@H](CN)C(=O)O MCULE-6198841067 [0,2,0,0,0,0|1,0,1]=4 1429 B7R0.15 N#C/C(=N/O)/C(=O)N MCULE-2273680002 [0,2,0,0,0,0|2,0,0]=4 1430 B7R0.15 N#C/C(=N\O)/C(=O)N MCULE-4823596047 [0,2,0,0,0,0|2,0,0]=4 1431 B7R0.15 N#CC(=NO)C(=O)N MCULE-9385347173 [0,2,0,0,0,0|2,0,0]=4 1432 B7R0.15 NCC(CO)C(=O)O MCULE-5510878508 [0,2,0,0,0,0|1,0,1]=4 1433 B7R0.15 NCC(CO)C(=O)O MCULE-9991285445 [0,2,0,0,0,0|1,0,1]=4 1434 B7R0.15 NC[C@@H](CO)C(=O)O MCULE-4607648703 [0,2,0,0,0,0|1,0,1]=4 1435 B7R0.15 NC[C@@H](CO)C(=O)O MCULE-8943978569 [0,2,0,0,0,0|1,0,1]=4 1436 B7R0.15 NC[C@H](CO)C(=O)O MCULE-8459713640 [0,2,0,0,0,0|1,0,1]=4 1437 B7R0.15 O=C(O)[C@H](CO)NP MCULE-8418001133 [0,2,0,0,0,0|1,0,1]=4 1438 B5R1.2 O=C1CCO1 MCULE-1277069147 [1,0,0,1,0,0|1,0,1]=4 1439 B5R1.2 O=C1COC1 MCULE-6847248632 [1,0,0,1,0,0|1,0,1]=4 1440 B7R1.2 CC1=CC(=O)CO1 MCULE-6570401610 [0,0,0,1,0,1|2,0,0]=4 1441 B7R1.2 CC1=CC(=O)NO1 MCULE-4569959155 [0,0,0,1,0,1|2,0,0]=4 1442 B7R1.2 CC1=CC(=O)OC1 MCULE-6549202383 [0,0,0,1,0,1|2,0,0]=4 1443 B7R1.2 CC1=NOC(=O)C1 MCULE-2665741338 [0,0,0,1,0,1|2,0,0]=4 1444 B7R1.2 CC1=NOC(=O)C1 MCULE-3084424307 [0,0,0,1,0,1|2,0,0]=4 1445 B7R1.2 CC1=NOC(=O)O1 MCULE-5416417255 [0,0,0,1,0,1|2,0,0]=4 1446 B7R1.2 NC1=CC(=NO1)O MCULE-4713053247 [0,0,0,1,0,1|2,0,0]=4 1447 B7R1.2 NC1=NC(=O)CO1 MCULE-5739646901 [0,0,0,1,0,1|2,0,0]=4 1448 B7R1.2 O=C1C=C(CC1)O MCULE-4815747510 [0,0,0,1,0,1|2,0,0]=4 1449 B7R1.2 O=C1C=C(CN1)O MCULE-4305405716 [0,0,0,1,0,1|2,0,0]=4 1450 B7R1.2 O=C1C=C(CO1)Br MCULE-8883097432 [0,0,0,1,0,1|2,0,0]=4 1451 B7R1.2 O=C1C=C(CO1)O MCULE-5095558101 [0,0,0,1,0,1|1,0,0]=3 1452 B7R1.2 O=C1C=CC(=O)C1 MCULE-7662591278 [0,0,0,1,0,1|2,0,0]=4 1453 B7R1.2 O=C1C=CC(=O)N1 MCULE-3677915339 [0,0,0,1,0,1|2,0,0]=4 1454 B7R1.2 O=C1C=CC(=O)O1 MCULE-5322674641 [0,0,0,1,0,1|2,0,0]=4 1455 B7R1.2 O=C1CC(=CO1)O MCULE-3691688750 [0,0,0,1,0,1|1,0,0]=3 1456 B7R1.2 O=C1CC(=O)NN1 MCULE-4591056937 [0,0,0,1,0,1|2,0,0]=4 1457 B7R1.2 O=C1CC(CO1)O MCULE-3779919332 [0,0,0,1,0,1|1,0,1]=4 1458 B7R1.2 O=C1CC(CO1)O MCULE-5609071664 [0,0,0,1,0,1|1,0,1]=4 1459 B7R1.2 O=C1CCC(=O)C1 MCULE-6436831689 [0,0,0,1,0,1|2,0,0]=4 1460 B7R1.2 O=C1CCC(=O)N1 MCULE-8278049979 [0,0,0,1,0,1|2,0,0]=4 1461 B7R1.2 O=C1CCC(=O)O1 MCULE-1458819618 [0,0,0,1,0,1|2,0,0]=4 1462 B7R1.2 O=C1CNC(=O)C1 MCULE-6981924013 [0,0,0,1,0,1|2,0,0]=4 1463 B7R1.2 O=C1CNC(=O)N1 MCULE-6812812243 [0,0,0,1,0,1|2,0,0]=4 1464 B7R1.2 O=C1CNC(=O)O1 MCULE-7702120642 [0,0,0,1,0,1|2,0,0]=4 1465 B7R1.2 O=C1CNC(=O)S1 MCULE-5050685903 [0,0,0,1,0,1|2,0,0]=4 1466 B7R1.2 O=C1COC(=O)C1 MCULE-3258090872 [0,0,0,1,0,1|1,0,0]=3 1467 B7R1.2 O=C1COC(=O)N1 MCULE-3103815953 [0,0,0,1,0,1|1,0,0]=3 1468 B7R1.2 O=C1COC(=O)[N-]1 MCULE-2786348217 [0,0,0,1,0,1|1,0,0]=3 1469 B7R1.2 O=C1CSC(=O)N1 MCULE-8206580994 [0,0,0,1,0,1|1,1,0]=4 1470 B7R1.2 O=C1C[C@@H](CO1)O MCULE-1467506377 [0,0,0,1,0,1|1,0,1]=4 1471 B7R1.2 O=C1C[C@@H](CO1)O MCULE-3668466479 [0,0,0,1,0,1|1,0,1]=4 1472 B7R1.2 O=C1C[C@H](CO1)O MCULE-5756899897 [0,0,0,1,0,1|1,0,1]=4 1473 B7R1.2 O=C1C[C@H](CO1)O MCULE-6247095672 [0,0,0,1,0,1|1,0,1]=4 1474 B7R1.2 O=C1NC(=CS1)O MCULE-2237666080 [0,0,0,1,0,1|1,1,0]=4 1475 B7R1.2 O=C1NNC(=O)N1 MCULE-5611157961 [0,0,0,1,0,1|2,0,0]=4 1476 B7R1.2 O=C1NOC(=O)N1 MCULE-5599103299 [0,0,0,1,0,1|1,0,0]=3 1477 B7R1.12 C=C1CC1C(=O)O MCULE-4330944573 [0,0,0,1,0,1|2,0,0]=4 1478 B7R1.12 CC1=CC1C(=O)O MCULE-6979504623 [0,0,0,1,0,1|2,0,0]=4 1479 B7R1.20 O=C(O)C=C1CC1 MCULE-7214971091 [0,0,0,1,0,1|2,0,0]=4 1480 B7R1.20 O=C(O)CC1CO1 MCULE-5322663834 [0,0,0,1,0,1|1,0,1]=4 1481 B7R1.20 O=C(O)C[C@H]1CO1 MCULE-2418249972 [0,0,0,1,0,1|1,0,1]=4 1482 B7R1.4 C=C1CCOC1=O MCULE-5907828600 [0,1,0,1,0,0|2,0,0]=4 1483 B7R1.4 CC1=CCOC1=O MCULE-9785490540 [0,1,0,1,0,0|2,0,0]=4 1484 B7R1.4 NC1=CCOC1=O MCULE-9089854091 [0,1,0,1,0,0|2,0,0]=4 1485 B7R1.4 NC1=NON=C1O MCULE-6904763946 [0,1,0,1,0,0|2,0,0]=4 1486 B7R1.4 O=C1CCC=C1O MCULE-8745661989 [0,1,0,1,0,0|2,0,0]=4 1487 B7R1.4 O=C1CCCC1=O MCULE-8040167119 [0,1,0,1,0,0|2,0,0]=4 1488 B7R1.4 O=C1CCNC1=O MCULE-6243503430 [0,1,0,1,0,0|2,0,0]=4 1489 B7R1.4 O=C1OCC=C1Br MCULE-9287853531 [0,1,0,1,0,0|2,0,0]=4 1490 B7R1.4 O=C1OCCC1O MCULE-2144002601 [0,1,0,1,0,0|1,0,1]=4 1491 B7R1.4 O=C1OCC[C@@H]1O MCULE-7764011790 [0,1,0,1,0,0|1,0,1]=4 1492 B7R1.4 O=C1OCC[C@@H]1O MCULE-9001729998 [0,1,0,1,0,0|1,0,1]=4 1493 B7R1.4 O=C1OCC[C@H]1O MCULE-6949645282 [0,1,0,1,0,0|1,0,1]=4 1494 B7R1.4 O=C1OCC[C@H]1O MCULE-7110242636 [0,1,0,1,0,0|1,0,1]=4 1495 B7R1.4 OC1=CSC=C1O MCULE-7694152673 [0,1,0,1,0,0|1,1,0]=4 1496 B7R1.4 OC1=NOC=C1Br MCULE-1436145132 [0,1,0,1,0,0|2,0,0]=4 1497 B7R1.4 OC1=NON=C1O MCULE-7695663038 [0,1,0,1,0,0|1,0,1]=4 1498 B7R1.15 O=C1C=C(C1=O)O MCULE-3440355716 [0,1,0,1,0,0|1,0,0]=3 1499 B7R1.15 O=C1C=C(C1=O)[O-] MCULE-9991893223 [0,1,0,1,0,0|1,0,1]=4 1500 B7R1.18 O=C(O)C1=CCC1 MCULE-4244912351 [0,1,0,1,0,0|2,0,0]=4 1501 B7R1.18 O=C(O)C1CCO1 MCULE-6065911736 [0,1,0,1,0,0|1,0,1]=4 1502 B7R1.18 O=C(O)C1CCO1 MCULE-9296370119 [0,1,0,1,0,0|1,0,1]=4 1503 B7R1.18 O=C(O)C1COC1 MCULE-2530431165 [0,1,0,1,0,0|1,0,1]=4 1504 B7R1.18 O=C(O)[C@@H]1CCO1 MCULE-5117442811 [0,1,0,1,0,0|1,0,1]=4 1505 B7R1.18 O=C(O)[C@@H]1CCO1 MCULE-8116248615 [0,1,0,1,0,0|1,0,1]=4 1506 B7R1.18 O=C(O)[C@H]1CCO1 MCULE-5499247834 [0,1,0,1,0,0|1,0,1]=4 1507 B7R1.18 O=C(O)[C@H]1CCO1 MCULE-7468207073 [0,1,0,1,0,0|1,0,1]=4 1508 B7R1.19 CC1(CO1)C(=O)O MCULE-9344660544 [0,1,0,1,0,0|1,0,1]=4 1509 B7R1.19 O=C(O)C1(CC1)O MCULE-7923609070 [0,1,0,1,0,0|1,0,1]=4 1510 B7R1.22 C1(CO1)C(=O)OC MCULE-1350193594 [0,1,0,1,0,0|1,0,1]=4 1511 B7R1.22 COC(=O)C1CO1 MCULE-1745412030 [0,1,0,1,0,0|1,0,1]=4 1512 B7R1.22 COC(=O)[C@@H]1CO1 MCULE-2259836812 [0,1,0,1,0,0|1,0,1]=4 1513 B7R1.22 COC(=O)[C@H]1CO1 MCULE-5568309714 [0,1,0,1,0,0|1,0,1]=4 1514 B7R1.22 COC(=O)[C@H]1CO1 MCULE-9432053348 [0,1,0,1,0,0|1,0,1]=4 1515 B7R1.22 [C@H]1(CO1)C(=O)OC MCULE-2114123664 [0,1,0,1,0,0|1,0,1]=4 1516 B7R0.6 C=C(Br)CCC(=O)O MCULE-5257916083 [0,0,0,0,0,2|2,0,0]=4 1517 B7R0.6 C=C(C)CCC(=O)O MCULE-8738532812 [0,0,0,0,0,2|2,0,0]=4 1518 B7R0.6 C=C(C)NCC(=O)O MCULE-6347105994 [0,0,0,0,0,2|2,0,0]=4 1519 B7R0.6 C=C(Cl)CCC(=O)O MCULE-8617886776 [0,0,0,0,0,2|2,0,0]=4 1520 B7R0.6 CC(=CCC(=O)O)C MCULE-2552993418 [0,0,0,0,0,2|2,0,0]=4 1521 B7R0.6 CC(=O)/C=C/C(=O)O MCULE-8768861026 [0,0,0,0,0,2|1,0,0]=3 1522 B7R0.6 CC(=O)C=CC(=O)C MCULE-9472466140 [0,0,0,0,0,2|2,0,0]=4 1523 B7R0.6 CC(=O)C=CC(=O)Cl MCULE-8865772819 [0,0,0,0,0,2|2,0,0]=4 1524 B7R0.6 CC(=O)C=CC(=O)O MCULE-6867353277 [0,0,0,0,0,2|1,0,0]=3 1525 B7R0.6 CC(=O)CCC(=O)C MCULE-3166810473 [0,0,0,0,0,2|2,0,0]=4 1526 B7R0.6 CC(=O)CCC(=O)N MCULE-8943258659 [0,0,0,0,0,2|2,0,0]=4 1527 B7R0.6 CC(=O)CCC(=O)O MCULE-1392778065 [0,0,0,0,0,2|1,0,0]=3 1528 B7R0.6 CC(=O)CCC(=O)[O-] MCULE-4975344808 [0,0,0,0,0,2|1,0,1]=4 1529 B7R0.6 CC(=O)CNC(=O)C MCULE-7941086302 [0,0,0,0,0,2|2,0,0]=4 1530 B7R0.6 CC(=O)CNC(=O)Cl MCULE-2043888982 [0,0,0,0,0,2|2,0,0]=4 1531 B7R0.6 CC(=O)COC(=O)C MCULE-2994552521 [0,0,0,0,0,2|2,0,0]=4 1532 B7R0.6 CC(=O)NCC(=O)Cl MCULE-3900899057 [0,0,0,0,0,2|2,0,0]=4 1533 B7R0.6 CC(=O)NCC(=O)N MCULE-7934502236 [0,0,0,0,0,2|2,0,0]=4 1534 B7R0.6 CC(=O)NCC(=O)O MCULE-5811325186 [0,0,0,0,0,2|1,0,0]=3 1535 B7R0.6 CC(=O)NNC(=O)C MCULE-3292268906 [0,0,0,0,0,2|2,0,0]=4 1536 B7R0.6 CC(=O)OCC(=O)Cl MCULE-3086938222 [0,0,0,0,0,2|2,0,0]=4 1537 B7R0.6 CC(=O)OCC(=O)O MCULE-6837320824 [0,0,0,0,0,2|1,0,0]=3 1538 B7R0.6 CC(=O)SCC(=O)O MCULE-1974657694 [0,0,0,0,0,2|1,0,0]=3 1539 B7R0.6 CC(=S)NCC(=O)O MCULE-9052571833 [0,0,0,0,0,2|1,1,0]=4 1540 B7R0.6 CC(O)CCC(=O)O MCULE-6352217997 [0,0,0,0,0,2|1,0,1]=4 1541 B7R0.6 CS(=O)CCC(=O)O MCULE-8243349779 [0,0,0,0,0,2|2,0,0]=4 1542 B7R0.6 C[C@@H](O)COC(=O)O MCULE-3794886346 [0,0,0,0,0,2|1,0,1]=4 1543 B7R0.6 N=C(N)NCC(=O)O MCULE-8180759180 [0,0,0,0,0,2|2,0,0]=4 1544 B7R0.6 N=C(N)NCC(=O)O MCULE-8327589872 [0,0,0,0,0,2|2,0,0]=4 1545 B7R0.6 N=C(N)SCC(=O)O MCULE-2089510220 [0,0,0,0,0,2|2,0,0]=4 1546 B7R0.6 N=C(N)SCC(=O)O MCULE-3427937751 [0,0,0,0,0,2|2,0,0]=4 1547 B7R0.6 NC(=O)/C=C/C(=O)N MCULE-4395066945 [0,0,0,0,0,2|2,0,0]=4 1548 B7R0.6 NC(=O)/C=C/C(=O)O MCULE-4042951919 [0,0,0,0,0,2|1,0,0]=3 1549 B7R0.6 NC(=O)/C=C\C(=O)O MCULE-9066996879 [0,0,0,0,0,2|1,0,0]=3 1550 B7R0.6 NC(=O)/N=N/C(=O)N MCULE-4339161906 [0,0,0,0,0,2|2,0,0]=4 1551 B7R0.6 NC(=O)C#CC(=O)N MCULE-4585775503 [0,0,0,0,0,2|2,0,0]=4 1552 B7R0.6 NC(=O)C=CC(=O)N MCULE-6392282813 [0,0,0,0,0,2|2,0,0]=4 1553 B7R0.6 NC(=O)C=CC(=O)O MCULE-2401877342 [0,0,0,0,0,2|1,0,0]=3 1554 B7R0.6 NC(=O)CCC(=O)N MCULE-2107382817 [0,0,0,0,0,2|2,0,0]=4 1555 B7R0.6 NC(=O)CCC(=O)O MCULE-5813999826 [0,0,0,0,0,2|1,0,0]=3 1556 B7R0.6 NC(=O)N=NC(=O)N MCULE-2129487615 [0,0,0,0,0,2|2,0,0]=4 1557 B7R0.6 NC(=O)NCC(=O)O MCULE-7640310218 [0,0,0,0,0,2|1,0,0]=3 1558 B7R0.6 NC(=O)NNC(=O)N MCULE-1306740070 [0,0,0,0,0,2|2,0,0]=4 1559 B7R0.6 NC(=O)SCC(=O)O MCULE-2409074226 [0,0,0,0,0,2|1,0,0]=3 1560 B7R0.6 NC(=S)NCC(=O)O MCULE-7421473219 [0,0,0,0,0,2|1,1,0]=4 1561 B7R0.6 O=C(Cl)/C=C/C(=O)Cl MCULE-6214609191 [0,0,0,0,0,2|2,0,0]=4 1562 B7R0.6 O=C(Cl)C=CC(=O)Cl MCULE-7022763562 [0,0,0,0,0,2|2,0,0]=4 1563 B7R0.6 O=C(Cl)CCC(=O)Cl MCULE-6220065982 [0,0,0,0,0,2|2,0,0]=4 1564 B7R0.6 O=C(O)/C=C/C(=O)O MCULE-3549142744 [0,0,0,0,0,2|0,0,0]=2 1565 B7R0.6 O=C(O)/C=C/C(=O)O MCULE-5263906793 [0,0,0,0,0,2|0,0,0]=2 1566 B7R0.6 O=C(O)/C=C\C(=O)O MCULE-1113222985 [0,0,0,0,0,2|0,0,0]=2 1567 B7R0.6 O=C(O)C#CC(=O)O MCULE-3952041688 [0,0,0,0,0,2|0,0,0]=2 1568 B7R0.6 O=C(O)C=CC(=O)O MCULE-5329407890 [0,0,0,0,0,2|0,0,0]=2 1569 B7R0.6 O=C(O)C=CC(=O)O MCULE-7492596773 [0,0,0,0,0,2|0,0,0]=2 1570 B7R0.6 O=C(O)C=CC(=O)O MCULE-8076793268 [0,0,0,0,0,2|0,0,0]=2 1571 B7R0.6 O=C(O)C=CC(=O)O MCULE-9488315563 [0,0,0,0,0,2|0,0,0]=2 1572 B7R0.6 O=C(O)C=CC(=O)O MCULE-9920754312 [0,0,0,0,0,2|0,0,0]=2 1573 B7R0.6 O=C(O)CCB(O)O MCULE-9351023222 [0,0,0,0,0,2|1,0,1]=4 1574 B7R0.6 O=C(O)CCC(=O)O MCULE-1233211613 [0,0,0,0,0,2|0,0,0]=2 1575 B7R0.6 O=C(O)CCC(=O)O MCULE-5889111640 [0,0,0,0,0,2|0,0,0]=2 1576 B7R0.6 O=C(O)CCN(=O)=O MCULE-1879231817 [0,0,0,0,0,2|1,0,1]=4 1577 B7R0.6 O=C(O)N=NC(=O)O MCULE-6858626658 [0,0,0,0,0,2|0,0,0]=2 1578 B7R0.6 O=C([O-])/C=C/C(=O)[O-] MCULE-2177227992 [0,0,0,0,0,2|0,0,2]=4 1579 B7R0.6 O=C([O-])C#CC(=O)O MCULE-8275918466 [0,0,0,0,0,2|0,0,1]=3 1580 B7R0.6 O=C([O-])C#CC(=O)[O-] MCULE-8160569506 [0,0,0,0,0,2|0,0,2]=4 1581 B7R0.6 O=C([O-])C=CC(=O)[O-] MCULE-1618249570 [0,0,0,0,0,2|0,0,2]=4 1582 B7R0.6 O=C([O-])CCC(=O)O MCULE-9149947862 [0,0,0,0,0,2|0,0,1]=3 1583 B7R0.6 O=C([O-])CCC(=O)[O-] MCULE-6304944077 [0,0,0,0,0,2|0,0,2]=4 1584 B7R0.6 O=C([O-])N=NC(=O)[O-] MCULE-3382785265 [0,0,0,0,0,2|0,0,2]=4