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|1,0,0]=1 2 B5R0.5 C=C(C)B(O)O MCULE-1381151629 [0,0,0,0,0,0|2,0,1]=3 3 B5R0.5 C=C(C)C(=C)C MCULE-6799765242 [0,0,0,0,0,0|3,0,0]=3 4 B5R0.5 C=C(C)C(=O)C MCULE-5872425076 [0,0,0,0,0,0|2,0,0]=2 5 B5R0.5 C=C(C)C(=O)Cl MCULE-9163474336 [0,0,0,0,0,0|2,0,0]=2 6 B5R0.5 C=C(C)C(=O)N MCULE-3416322097 [0,0,0,0,0,0|2,0,0]=2 7 B5R0.5 C=C(C)C(=O)O MCULE-9899621926 [0,0,0,0,0,0|1,0,0]=1 8 B5R0.5 C=C(C)C(=O)[O-] MCULE-5299174444 [0,0,0,0,0,0|1,0,1]=2 9 B5R0.5 C=C(C)C(=O)[O-] MCULE-7320418926 [0,0,0,0,0,0|1,0,1]=2 10 B5R0.5 C=C(C)C(=O)[O-] MCULE-7347881815 [0,0,0,0,0,0|1,0,1]=2 11 B5R0.5 C=C(C)C(C)C MCULE-2535284443 [0,0,0,0,0,0|3,0,1]=4 12 B5R0.5 C=C(C)C(C)Cl MCULE-5294924458 [0,0,0,0,0,0|3,0,1]=4 13 B5R0.5 C=C(C)C(C)O MCULE-3768810742 [0,0,0,0,0,0|2,0,1]=3 14 B5R0.5 C=C(C)C(Cl)Cl MCULE-4460311331 [0,0,0,0,0,0|3,0,1]=4 15 B5R0.5 C=C(C)C(Cl)Cl MCULE-5923487420 [0,0,0,0,0,0|3,0,1]=4 16 B5R0.5 C=C(Cl)C(=O)O MCULE-8316225208 [0,0,0,0,0,0|1,0,0]=1 17 B5R0.5 C=C(F)C(=O)Cl MCULE-6769824615 [0,0,0,0,0,0|2,0,0]=2 18 B5R0.5 C=C(F)C(=O)O MCULE-7137929861 [0,0,0,0,0,0|1,0,0]=1 19 B5R0.5 C=C(F)C(=O)[O-] MCULE-1806853701 [0,0,0,0,0,0|1,0,1]=2 20 B5R0.5 C=C(F)C(F)F MCULE-9790446391 [0,0,0,0,0,0|3,0,1]=4 21 B5R0.5 CC(=C(C)Br)C MCULE-2244219065 [0,0,0,0,0,0|3,0,1]=4 22 B5R0.5 CC(=C(C)C)C MCULE-2888318026 [0,0,0,0,0,0|3,0,1]=4 23 B5R0.5 CC(=O)C(=O)C MCULE-5742661187 [0,0,0,0,0,0|2,0,1]=3 24 B5R0.5 CC(=O)C(=O)Cl MCULE-3413498860 [0,0,0,0,0,0|2,0,1]=3 25 B5R0.5 CC(=O)C(=O)N MCULE-6804734996 [0,0,0,0,0,0|2,0,0]=2 26 B5R0.5 CC(=O)C(=O)O MCULE-8587144313 [0,0,0,0,0,0|1,0,1]=2 27 B5R0.5 CC(=O)C(=O)[O-] MCULE-2773521709 [0,0,0,0,0,0|1,0,2]=3 28 B5R0.5 CC(=O)C(=O)[O-] MCULE-7007482346 [0,0,0,0,0,0|1,0,2]=3 29 B5R0.5 CC(=O)C(=O)[O-] MCULE-8344520452 [0,0,0,0,0,0|1,0,2]=3 30 B5R0.5 CC(=O)C(=S)N MCULE-3142518834 [0,0,0,0,0,0|2,0,0]=2 31 B5R0.5 CC(=O)C(C)Br MCULE-3764525199 [0,0,0,0,0,0|2,0,2]=4 32 B5R0.5 CC(=O)C(C)C MCULE-5982732938 [0,0,0,0,0,0|2,0,2]=4 33 B5R0.5 CC(=O)C(C)Cl MCULE-5065840606 [0,0,0,0,0,0|2,0,2]=4 34 B5R0.5 CC(=O)C(C)F MCULE-2129925918 [0,0,0,0,0,0|2,0,2]=4 35 B5R0.5 CC(=O)C(C)N MCULE-5716124999 [0,0,0,0,0,0|1,0,2]=3 36 B5R0.5 CC(=O)C(C)N MCULE-9248002534 [0,0,0,0,0,0|1,0,2]=3 37 B5R0.5 CC(=O)C(C)O MCULE-5374414264 [0,0,0,0,0,0|2,0,2]=4 38 B5R0.5 CC(=O)C(C)S MCULE-2716722148 [0,0,0,0,0,0|2,0,2]=4 39 B5R0.5 CC(=O)C(Cl)Cl MCULE-9043899746 [0,0,0,0,0,0|3,0,1]=4 40 B5R0.5 CC(=O)C(F)F MCULE-9206168077 [0,0,0,0,0,0|3,0,1]=4 41 B5R0.5 CC(=O)N(C)C MCULE-4256511309 [0,0,0,0,0,0|3,0,1]=4 42 B5R0.5 CC(=O)N(C)N MCULE-2447375293 [0,0,0,0,0,0|2,0,1]=3 43 B5R0.5 CC(=O)[C@H](C)N MCULE-2609095078 [0,0,0,0,0,0|1,0,2]=3 44 B5R0.5 CC(=O)[C@H](C)N MCULE-6039921944 [0,0,0,0,0,0|1,0,2]=3 45 B5R0.5 CC(=O)[C@H](C)N MCULE-6387613992 [0,0,0,0,0,0|1,0,2]=3 46 B5R0.5 CC(=O)[C@H](C)N MCULE-7052375323 [0,0,0,0,0,0|1,0,2]=3 47 B5R0.5 CC(Br)C(=O)Br MCULE-2400047844 [0,0,0,0,0,0|2,0,2]=4 48 B5R0.5 CC(Br)C(=O)Cl MCULE-7431871683 [0,0,0,0,0,0|2,0,2]=4 49 B5R0.5 CC(Br)C(=O)N MCULE-9226586148 [0,0,0,0,0,0|2,0,2]=4 50 B5R0.5 CC(Br)C(=O)O MCULE-3935837943 [0,0,0,0,0,0|1,0,2]=3 51 B5R0.5 CC(Br)C(=O)O MCULE-6068441065 [0,0,0,0,0,0|1,0,2]=3 52 B5R0.5 CC(C)C(=N)N MCULE-2464075086 [0,0,0,0,0,0|3,0,1]=4 53 B5R0.5 CC(C)C(=N)N MCULE-6743996580 [0,0,0,0,0,0|3,0,1]=4 54 B5R0.5 CC(C)C(=O)Br MCULE-3679003896 [0,0,0,0,0,0|2,0,2]=4 55 B5R0.5 CC(C)C(=O)Cl MCULE-6582236331 [0,0,0,0,0,0|2,0,2]=4 56 B5R0.5 CC(C)C(=O)N MCULE-9773835068 [0,0,0,0,0,0|2,0,2]=4 57 B5R0.5 CC(C)C(=O)O MCULE-7783770647 [0,0,0,0,0,0|1,0,2]=3 58 B5R0.5 CC(C)C(=O)S MCULE-9552406593 [0,0,0,0,0,0|1,1,2]=4 59 B5R0.5 CC(C)C(=S)N MCULE-3546856315 [0,0,0,0,0,0|3,0,1]=4 60 B5R0.5 CC(C)S(=O)O MCULE-5200056082 [0,0,0,0,0,0|2,0,2]=4 61 B5R0.5 CC(Cl)C(=N)N MCULE-2357555185 [0,0,0,0,0,0|3,0,1]=4 62 B5R0.5 CC(Cl)C(=N)N MCULE-5302250002 [0,0,0,0,0,0|3,0,1]=4 63 B5R0.5 CC(Cl)C(=O)Cl MCULE-6547241717 [0,0,0,0,0,0|2,0,2]=4 64 B5R0.5 CC(Cl)C(=O)N MCULE-5322078211 [0,0,0,0,0,0|2,0,2]=4 65 B5R0.5 CC(Cl)C(=O)O MCULE-3597230803 [0,0,0,0,0,0|1,0,2]=3 66 B5R0.5 CC(Cl)C(=O)O MCULE-5449120618 [0,0,0,0,0,0|1,0,2]=3 67 B5R0.5 CC(F)C(=O)O MCULE-7334922730 [0,0,0,0,0,0|1,0,2]=3 68 B5R0.5 CC(I)C(=O)N MCULE-8608495554 [0,0,0,0,0,0|2,0,2]=4 69 B5R0.5 CC(N)C(=O)N MCULE-1264398810 [0,0,0,0,0,0|1,0,2]=3 70 B5R0.5 CC(N)C(=O)N MCULE-2251123672 [0,0,0,0,0,0|1,0,2]=3 71 B5R0.5 CC(N)C(=O)N MCULE-2273926073 [0,0,0,0,0,0|1,0,2]=3 72 B5R0.5 CC(N)C(=O)N MCULE-5340923071 [0,0,0,0,0,0|1,0,2]=3 73 B5R0.5 CC(N)C(=O)N MCULE-6061233032 [0,0,0,0,0,0|1,0,2]=3 74 B5R0.5 CC(N)C(=O)N MCULE-9273221837 [0,0,0,0,0,0|1,0,2]=3 75 B5R0.5 CC(N)C(=O)O MCULE-3498369789 [0,0,0,0,0,0|0,0,2]=2 76 B5R0.5 CC(N)C(=O)O MCULE-3809839392 [0,0,0,0,0,0|0,0,2]=2 77 B5R0.5 CC(N)C(=O)O MCULE-4751903561 [0,0,0,0,0,0|0,0,2]=2 78 B5R0.5 CC(N)C(=O)O MCULE-6963397848 [0,0,0,0,0,0|0,0,2]=2 79 B5R0.5 CC(N)C(C)O MCULE-3512899672 [0,0,0,0,0,0|1,0,3]=4 80 B5R0.5 CC(N)C(C)O MCULE-6286987696 [0,0,0,0,0,0|1,0,3]=4 81 B5R0.5 CC(O)C(=N)N MCULE-4358846536 [0,0,0,0,0,0|2,0,1]=3 82 B5R0.5 CC(O)C(=N)N MCULE-5644516205 [0,0,0,0,0,0|2,0,1]=3 83 B5R0.5 CC(O)C(=O)N MCULE-6247123668 [0,0,0,0,0,0|2,0,1]=3 84 B5R0.5 CC(O)C(=O)N MCULE-7823792358 [0,0,0,0,0,0|2,0,1]=3 85 B5R0.5 CC(O)C(=O)O MCULE-3922256529 [0,0,0,0,0,0|1,0,2]=3 86 B5R0.5 CC(O)C(=O)O MCULE-5387110670 [0,0,0,0,0,0|1,0,2]=3 87 B5R0.5 CC(O)C(=O)[O-] MCULE-1056716990 [0,0,0,0,0,0|1,0,3]=4 88 B5R0.5 CC(O)C(=O)[O-] MCULE-8184872865 [0,0,0,0,0,0|1,0,3]=4 89 B5R0.5 CC(O)C(=O)[O-] MCULE-8730993694 [0,0,0,0,0,0|1,0,3]=4 90 B5R0.5 CC(S)C(=O)N MCULE-1465182001 [0,0,0,0,0,0|2,0,2]=4 91 B5R0.5 CC(S)C(=O)O MCULE-6944738352 [0,0,0,0,0,0|1,0,2]=3 92 B5R0.5 CN(C)C(=N)N MCULE-6863213372 [0,0,0,0,0,0|4,0,0]=4 93 B5R0.5 CN(C)C(=N)N MCULE-7950775799 [0,0,0,0,0,0|4,0,0]=4 94 B5R0.5 CN(C)C(=N)N MCULE-8265374681 [0,0,0,0,0,0|4,0,0]=4 95 B5R0.5 CN(C)C(=N)N MCULE-9153833571 [0,0,0,0,0,0|4,0,0]=4 96 B5R0.5 CN(C)C(=O)Cl MCULE-1738506605 [0,0,0,0,0,0|3,0,1]=4 97 B5R0.5 CN(C)C(=O)N MCULE-3142720631 [0,0,0,0,0,0|3,0,1]=4 98 B5R0.5 CN(C)C(=O)O MCULE-1039144559 [0,0,0,0,0,0|2,0,1]=3 99 B5R0.5 CN(C)C(=O)[O-] MCULE-5405204721 [0,0,0,0,0,0|2,0,2]=4 100 B5R0.5 CN(C)C(=S)N MCULE-6937388954 [0,0,0,0,0,0|4,0,0]=4 101 B5R0.5 CN(N)C(=O)N MCULE-9114734246 [0,0,0,0,0,0|2,0,1]=3 102 B5R0.5 CN(N)C(=S)N MCULE-8674598291 [0,0,0,0,0,0|2,1,1]=4 103 B5R0.5 C[C@@H](Br)C(=O)O MCULE-8303539222 [0,0,0,0,0,0|1,0,2]=3 104 B5R0.5 C[C@@H](Br)C(=O)O MCULE-8530283309 [0,0,0,0,0,0|1,0,2]=3 105 B5R0.5 C[C@@H](Cl)C(=O)Cl MCULE-3579498695 [0,0,0,0,0,0|2,0,2]=4 106 B5R0.5 C[C@@H](Cl)C(=O)O MCULE-6578788045 [0,0,0,0,0,0|1,0,2]=3 107 B5R0.5 C[C@@H](Cl)C(=O)O MCULE-8314108697 [0,0,0,0,0,0|1,0,2]=3 108 B5R0.5 C[C@@H](F)C(=O)N MCULE-1505685009 [0,0,0,0,0,0|2,0,2]=4 109 B5R0.5 C[C@@H](N)C(=O)N MCULE-4677983549 [0,0,0,0,0,0|1,0,2]=3 110 B5R0.5 C[C@@H](N)C(=O)N MCULE-6112443507 [0,0,0,0,0,0|1,0,2]=3 111 B5R0.5 C[C@@H](N)C(=O)N MCULE-7940270709 [0,0,0,0,0,0|1,0,2]=3 112 B5R0.5 C[C@@H](N)C(=O)N MCULE-8482332558 [0,0,0,0,0,0|1,0,2]=3 113 B5R0.5 C[C@@H](N)C(=O)O MCULE-3571488623 [0,0,0,0,0,0|0,0,2]=2 114 B5R0.5 C[C@@H](N)C(=O)O MCULE-9756365751 [0,0,0,0,0,0|0,0,2]=2 115 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-4537991630 [0,0,0,0,0,0|1,0,3]=4 116 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-5710552020 [0,0,0,0,0,0|1,0,3]=4 117 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-5951487868 [0,0,0,0,0,0|1,0,3]=4 118 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-8093543292 [0,0,0,0,0,0|1,0,3]=4 119 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-8196664475 [0,0,0,0,0,0|1,0,3]=4 120 B5R0.5 C[C@@H](O)C(=N)N MCULE-1498978023 [0,0,0,0,0,0|2,0,1]=3 121 B5R0.5 C[C@@H](O)C(=N)N MCULE-6124491136 [0,0,0,0,0,0|2,0,1]=3 122 B5R0.5 C[C@@H](O)C(=N)N MCULE-7410387081 [0,0,0,0,0,0|2,0,1]=3 123 B5R0.5 C[C@@H](O)C(=N)N MCULE-9566288141 [0,0,0,0,0,0|2,0,1]=3 124 B5R0.5 C[C@@H](O)C(=O)N MCULE-2026557726 [0,0,0,0,0,0|2,0,1]=3 125 B5R0.5 C[C@@H](O)C(=O)N MCULE-8056291801 [0,0,0,0,0,0|2,0,1]=3 126 B5R0.5 C[C@@H](O)C(=O)O MCULE-4625208788 [0,0,0,0,0,0|1,0,2]=3 127 B5R0.5 C[C@@H](O)C(=O)O MCULE-9141235095 [0,0,0,0,0,0|1,0,2]=3 128 B5R0.5 C[C@@H](O)C(=O)[O-] MCULE-5673591667 [0,0,0,0,0,0|1,0,3]=4 129 B5R0.5 C[C@@H](O)C(=O)[O-] MCULE-8146434340 [0,0,0,0,0,0|1,0,3]=4 130 B5R0.5 C[C@@H](O)C(=O)[O-] MCULE-9026662277 [0,0,0,0,0,0|1,0,3]=4 131 B5R0.5 C[C@H](Br)C(=O)Cl MCULE-2960953088 [0,0,0,0,0,0|2,0,2]=4 132 B5R0.5 C[C@H](Br)C(=O)O MCULE-4788730445 [0,0,0,0,0,0|1,0,2]=3 133 B5R0.5 C[C@H](Br)C(=O)O MCULE-9354978281 [0,0,0,0,0,0|1,0,2]=3 134 B5R0.5 C[C@H](Cl)C(=O)O MCULE-4816831649 [0,0,0,0,0,0|1,0,2]=3 135 B5R0.5 C[C@H](Cl)C(=O)O MCULE-8389122613 [0,0,0,0,0,0|1,0,2]=3 136 B5R0.5 C[C@H](F)C(=O)N MCULE-7457242428 [0,0,0,0,0,0|2,0,2]=4 137 B5R0.5 C[C@H](N)C(=O)N MCULE-4716963408 [0,0,0,0,0,0|1,0,2]=3 138 B5R0.5 C[C@H](N)C(=O)N MCULE-6879702251 [0,0,0,0,0,0|1,0,2]=3 139 B5R0.5 C[C@H](N)C(=O)N MCULE-7090555441 [0,0,0,0,0,0|1,0,2]=3 140 B5R0.5 C[C@H](N)C(=O)N MCULE-7293369315 [0,0,0,0,0,0|1,0,2]=3 141 B5R0.5 C[C@H](N)C(=O)N MCULE-7341432132 [0,0,0,0,0,0|1,0,2]=3 142 B5R0.5 C[C@H](N)C(=O)N MCULE-7556063213 [0,0,0,0,0,0|1,0,2]=3 143 B5R0.5 C[C@H](N)C(=O)N MCULE-8320991932 [0,0,0,0,0,0|1,0,2]=3 144 B5R0.5 C[C@H](N)C(=O)N MCULE-8491573930 [0,0,0,0,0,0|1,0,2]=3 145 B5R0.5 C[C@H](N)C(=O)O MCULE-4916719758 [0,0,0,0,0,0|0,0,2]=2 146 B5R0.5 C[C@H](N)C(=O)O MCULE-5261590548 [0,0,0,0,0,0|0,0,2]=2 147 B5R0.5 C[C@H](N)C(=O)O MCULE-7791919887 [0,0,0,0,0,0|0,0,2]=2 148 B5R0.5 C[C@H](N)C(=O)O MCULE-8724854497 [0,0,0,0,0,0|0,0,2]=2 149 B5R0.5 C[C@H](N)[C@@H](C)O MCULE-6389040758 [0,0,0,0,0,0|1,0,3]=4 150 B5R0.5 C[C@H](N)[C@@H](C)O MCULE-7956913866 [0,0,0,0,0,0|1,0,3]=4 151 B5R0.5 C[C@H](N)[C@H](C)O MCULE-1340338147 [0,0,0,0,0,0|1,0,3]=4 152 B5R0.5 C[C@H](N)[C@H](C)O MCULE-1738016964 [0,0,0,0,0,0|1,0,3]=4 153 B5R0.5 C[C@H](N)[C@H](C)O MCULE-2254798251 [0,0,0,0,0,0|1,0,3]=4 154 B5R0.5 C[C@H](N)[C@H](C)O MCULE-7688101680 [0,0,0,0,0,0|1,0,3]=4 155 B5R0.5 C[C@H](O)C(=O)N MCULE-8400190365 [0,0,0,0,0,0|2,0,1]=3 156 B5R0.5 C[C@H](O)C(=O)O MCULE-5695391344 [0,0,0,0,0,0|1,0,2]=3 157 B5R0.5 C[C@H](O)C(=O)O MCULE-8864689875 [0,0,0,0,0,0|1,0,2]=3 158 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-1034285072 [0,0,0,0,0,0|1,0,3]=4 159 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-3598405830 [0,0,0,0,0,0|1,0,3]=4 160 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-7525689298 [0,0,0,0,0,0|1,0,3]=4 161 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-8057429776 [0,0,0,0,0,0|1,0,3]=4 162 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-8729310894 [0,0,0,0,0,0|1,0,3]=4 163 B5R0.5 C[C@H](O)[C@@H](C)N MCULE-3776841970 [0,0,0,0,0,0|1,0,3]=4 164 B5R0.5 C[C@H](O)[C@@H](C)N MCULE-4906999918 [0,0,0,0,0,0|1,0,3]=4 165 B5R0.5 C[C@H](O)[C@@H](C)N MCULE-5860404631 [0,0,0,0,0,0|1,0,3]=4 166 B5R0.5 C[C@H](O)[C@@H](C)N MCULE-5888789996 [0,0,0,0,0,0|1,0,3]=4 167 B5R0.5 ClC(=C(Cl)Cl)Cl MCULE-3770837074 [0,0,0,0,0,0|4,0,0]=4 168 B5R0.5 FC(=C(Br)Br)F MCULE-6247552222 [0,0,0,0,0,0|4,0,0]=4 169 B5R0.5 FC(=C(Cl)Br)F MCULE-3640863998 [0,0,0,0,0,0|4,0,0]=4 170 B5R0.5 FC(=C(Cl)Cl)Cl MCULE-1105750110 [0,0,0,0,0,0|4,0,0]=4 171 B5R0.5 FC(=C(Cl)Cl)F MCULE-9255334051 [0,0,0,0,0,0|4,0,0]=4 172 B5R0.5 FC(=C(F)Br)Br MCULE-3490723756 [0,0,0,0,0,0|4,0,0]=4 173 B5R0.5 FC(=C(F)Cl)F MCULE-2431934098 [0,0,0,0,0,0|4,0,0]=4 174 B5R0.5 FC(=C(F)I)F MCULE-8120152416 [0,0,0,0,0,0|4,0,0]=4 175 B5R0.5 IC(=C(I)I)I MCULE-1209006503 [0,0,0,0,0,0|4,0,0]=4 176 B5R0.5 N=C(N)N(N)N MCULE-6225047839 [0,0,0,0,0,0|4,0,0]=4 177 B5R0.5 N=C(N)N(N)N MCULE-8407507713 [0,0,0,0,0,0|4,0,0]=4 178 B5R0.5 N=C(N)S(=O)O MCULE-7034022108 [0,0,0,0,0,0|2,0,0]=2 179 B5R0.5 NC(=O)C(=O)N MCULE-9024594322 [0,0,0,0,0,0|2,0,0]=2 180 B5R0.5 NC(=O)C(=O)O MCULE-4442165428 [0,0,0,0,0,0|1,0,0]=1 181 B5R0.5 NC(=O)C(=O)[O-] MCULE-6520154385 [0,0,0,0,0,0|1,0,1]=2 182 B5R0.5 NC(=O)C(=O)[O-] MCULE-9489956613 [0,0,0,0,0,0|1,0,1]=2 183 B5R0.5 NC(=O)C(Cl)Br MCULE-9082770089 [0,0,0,0,0,0|3,0,1]=4 184 B5R0.5 NC(=O)C(Cl)Cl MCULE-3389337354 [0,0,0,0,0,0|3,0,1]=4 185 B5R0.5 NC(=O)C(F)Br MCULE-8795303515 [0,0,0,0,0,0|3,0,1]=4 186 B5R0.5 NC(=O)C(F)Cl MCULE-4267127037 [0,0,0,0,0,0|3,0,1]=4 187 B5R0.5 NC(=O)C(F)F MCULE-7881392368 [0,0,0,0,0,0|3,0,1]=4 188 B5R0.5 NC(=O)C(F)I MCULE-6067421301 [0,0,0,0,0,0|3,0,1]=4 189 B5R0.5 NC(=S)C(=S)N MCULE-3109255800 [0,0,0,0,0,0|2,1,0]=3 190 B5R0.5 NC(=S)C(F)F MCULE-3511485569 [0,0,0,0,0,0|3,0,1]=4 191 B5R0.5 NC(O)C(=O)O MCULE-6546070388 [0,0,0,0,0,0|1,0,1]=2 192 B5R0.5 O=C(Br)C(=O)Br MCULE-6502494359 [0,0,0,0,0,0|3,0,0]=3 193 B5R0.5 O=C(Cl)C(=O)Cl MCULE-7263932124 [0,0,0,0,0,0|3,0,0]=3 194 B5R0.5 O=C(Cl)C(Cl)Cl MCULE-2883143305 [0,0,0,0,0,0|3,0,1]=4 195 B5R0.5 O=C(Cl)C(F)Cl MCULE-1579940277 [0,0,0,0,0,0|3,0,1]=4 196 B5R0.5 O=C(Cl)C(F)F MCULE-6700400389 [0,0,0,0,0,0|3,0,1]=4 197 B5R0.5 O=C(F)C(F)F MCULE-6722746663 [0,0,0,0,0,0|3,0,1]=4 198 B5R0.5 O=C(O)C(=O)O MCULE-2859436444 [0,0,0,0,0,0|2,0,0]=2 199 B5R0.5 O=C(O)C(=O)O MCULE-3054574273 [0,0,0,0,0,0|2,0,0]=2 200 B5R0.5 O=C(O)C(=O)O MCULE-4285591204 [0,0,0,0,0,0|2,0,0]=2 201 B5R0.5 O=C(O)C(=O)O MCULE-4461843798 [0,0,0,0,0,0|2,0,0]=2 202 B5R0.5 O=C(O)C(=O)O MCULE-6031758101 [0,0,0,0,0,0|2,0,0]=2 203 B5R0.5 O=C(O)C(=O)O MCULE-6647815245 [0,0,0,0,0,0|2,0,0]=2 204 B5R0.5 O=C(O)C(=O)O MCULE-7895971003 [0,0,0,0,0,0|2,0,0]=2 205 B5R0.5 O=C(O)C(=O)O MCULE-8046063377 [0,0,0,0,0,0|2,0,0]=2 206 B5R0.5 O=C(O)C(=O)O MCULE-8198551041 [0,0,0,0,0,0|2,0,0]=2 207 B5R0.5 O=C(O)C(=O)O MCULE-8472527874 [0,0,0,0,0,0|2,0,0]=2 208 B5R0.5 O=C(O)C(=O)O MCULE-9701145416 [0,0,0,0,0,0|2,0,0]=2 209 B5R0.5 O=C(O)C(Br)Br MCULE-4908900588 [0,0,0,0,0,0|2,0,1]=3 210 B5R0.5 O=C(O)C(Cl)Br MCULE-4569127340 [0,0,0,0,0,0|2,0,1]=3 211 B5R0.5 O=C(O)C(Cl)Cl MCULE-1246638159 [0,0,0,0,0,0|2,0,1]=3 212 B5R0.5 O=C(O)C(F)Br MCULE-5639771935 [0,0,0,0,0,0|2,0,1]=3 213 B5R0.5 O=C(O)C(F)Cl MCULE-8791727704 [0,0,0,0,0,0|2,0,1]=3 214 B5R0.5 O=C(O)C(F)F MCULE-9791449975 [0,0,0,0,0,0|2,0,1]=3 215 B5R0.5 O=C(O)C(F)I MCULE-2596137309 [0,0,0,0,0,0|2,0,1]=3 216 B5R0.5 O=C(O)C(O)O MCULE-8045135900 [0,0,0,0,0,0|2,0,1]=3 217 B5R0.5 O=C(O)[C@@H](F)Cl MCULE-9934674808 [0,0,0,0,0,0|2,0,1]=3 218 B5R0.5 O=C(O)[C@H](F)Cl MCULE-8184552815 [0,0,0,0,0,0|2,0,1]=3 219 B5R0.5 O=C([O-])C(=O)[O-] MCULE-1850167183 [0,0,0,0,0,0|2,0,1]=3 220 B5R0.5 O=C([O-])C(=O)[O-] MCULE-2102182772 [0,0,0,0,0,0|2,0,1]=3 221 B5R0.5 O=C([O-])C(=O)[O-] MCULE-2594600365 [0,0,0,0,0,0|2,0,1]=3 222 B5R0.5 O=C([O-])C(=O)[O-] MCULE-2876490980 [0,0,0,0,0,0|2,0,1]=3 223 B5R0.5 O=C([O-])C(=O)[O-] MCULE-4875218588 [0,0,0,0,0,0|2,0,1]=3 224 B5R0.5 O=C([O-])C(=O)[O-] MCULE-6598296804 [0,0,0,0,0,0|2,0,1]=3 225 B5R0.5 O=C([O-])C(=O)[O-] MCULE-6729461006 [0,0,0,0,0,0|2,0,1]=3 226 B5R0.5 O=C([O-])C(=O)[O-] MCULE-7607695802 [0,0,0,0,0,0|2,0,1]=3 227 B5R0.5 O=C([O-])C(F)Br MCULE-3214706920 [0,0,0,0,0,0|2,0,2]=4 228 B5R0.5 O=C([O-])C(F)Cl MCULE-6121365584 [0,0,0,0,0,0|2,0,2]=4 229 B5R0.5 O=C([O-])C(F)I MCULE-5263796115 [0,0,0,0,0,0|2,0,2]=4 230 B5R0.5 O=S(O)C(F)F MCULE-6110273161 [0,0,0,0,0,0|3,0,1]=4 231 B5R0.5 [C@@H](C)(O)C(=O)N MCULE-6953360641 [0,0,0,0,0,0|2,0,1]=3 232 B4R0.1 BrC=C(Br)Br MCULE-9536958233 [1,0,0,0,0,0|3,0,0]=4 233 B4R0.1 C#CC(=C)C MCULE-6826835331 [1,0,0,0,0,0|2,0,1]=4 234 B4R0.1 C#CC(=O)C MCULE-1296030711 [1,0,0,0,0,0|1,0,2]=4 235 B4R0.1 C#CC(=O)N MCULE-1832868146 [1,0,0,0,0,0|1,0,2]=4 236 B4R0.1 C#CC(=O)O MCULE-8764256624 [1,0,0,0,0,0|0,0,2]=3 237 B4R0.1 C#CC(=O)[O-] MCULE-3356498679 [1,0,0,0,0,0|0,0,3]=4 238 B4R0.1 C#CC(=O)[O-] MCULE-3490087346 [1,0,0,0,0,0|0,0,3]=4 239 B4R0.1 C(C)(N)CO MCULE-5844242932 [1,0,0,0,0,0|0,0,3]=4 240 B4R0.1 C/C(=N/O)/N MCULE-5595239824 [1,0,0,0,0,0|1,0,1]=3 241 B4R0.1 C/C(=N\O)/N MCULE-8004142092 [1,0,0,0,0,0|1,0,1]=3 242 B4R0.1 C/C=C(/C)\Cl MCULE-6841426098 [1,0,0,0,0,0|2,0,1]=4 243 B4R0.1 C/C=C(\C)/Br MCULE-3045523462 [1,0,0,0,0,0|2,0,1]=4 244 B4R0.1 C/C=C(\C)/Cl MCULE-4683862502 [1,0,0,0,0,0|2,0,1]=4 245 B4R0.1 C=C(Br)C#N MCULE-6077746884 [1,0,0,0,0,0|2,0,1]=4 246 B4R0.1 C=C(Br)C=O MCULE-9500973388 [1,0,0,0,0,0|1,0,0]=2 247 B4R0.1 C=C(Br)CBr MCULE-1222617820 [1,0,0,0,0,0|2,0,1]=4 248 B4R0.1 C=C(Br)CC MCULE-6271946451 [1,0,0,0,0,0|2,0,1]=4 249 B4R0.1 C=C(Br)CN MCULE-1170417597 [1,0,0,0,0,0|2,0,1]=4 250 B4R0.1 C=C(Br)CN MCULE-9190049156 [1,0,0,0,0,0|2,0,1]=4 251 B4R0.1 C=C(Br)CO MCULE-7763893047 [1,0,0,0,0,0|1,0,1]=3 252 B4R0.1 C=C(C)C#N MCULE-9177849910 [1,0,0,0,0,0|2,0,1]=4 253 B4R0.1 C=C(C)C=O MCULE-3758355501 [1,0,0,0,0,0|1,0,0]=2 254 B4R0.1 C=C(C)CBr MCULE-1361893863 [1,0,0,0,0,0|2,0,1]=4 255 B4R0.1 C=C(C)CCl MCULE-5586406339 [1,0,0,0,0,0|2,0,1]=4 256 B4R0.1 C=C(C)CI MCULE-3678124406 [1,0,0,0,0,0|2,0,1]=4 257 B4R0.1 C=C(C)CN MCULE-1033495975 [1,0,0,0,0,0|2,0,1]=4 258 B4R0.1 C=C(C)CN MCULE-8730181300 [1,0,0,0,0,0|2,0,1]=4 259 B4R0.1 C=C(C)CO MCULE-8641288398 [1,0,0,0,0,0|1,0,1]=3 260 B4R0.1 C=C(C)CS MCULE-5174170431 [1,0,0,0,0,0|1,1,1]=4 261 B4R0.1 C=C(C)OC MCULE-7344104255 [1,0,0,0,0,0|3,0,0]=4 262 B4R0.1 C=C(Cl)C#N MCULE-8612604639 [1,0,0,0,0,0|2,0,1]=4 263 B4R0.1 C=C(Cl)CBr MCULE-9398157024 [1,0,0,0,0,0|2,0,1]=4 264 B4R0.1 C=C(Cl)CCl MCULE-4210429118 [1,0,0,0,0,0|2,0,1]=4 265 B4R0.1 C=C(Cl)CI MCULE-1908004565 [1,0,0,0,0,0|2,0,1]=4 266 B4R0.1 C=C(Cl)CN MCULE-2159410121 [1,0,0,0,0,0|2,0,1]=4 267 B4R0.1 C=C(Cl)CN MCULE-3454023553 [1,0,0,0,0,0|2,0,1]=4 268 B4R0.1 C=C(Cl)CO MCULE-8813337564 [1,0,0,0,0,0|1,0,1]=3 269 B4R0.1 C=C(F)CBr MCULE-6528430141 [1,0,0,0,0,0|2,0,1]=4 270 B4R0.1 C=C(F)CCl MCULE-4499400030 [1,0,0,0,0,0|2,0,1]=4 271 B4R0.1 C=C(F)CN MCULE-1603171858 [1,0,0,0,0,0|2,0,1]=4 272 B4R0.1 C=C(F)CN MCULE-3878727292 [1,0,0,0,0,0|2,0,1]=4 273 B4R0.1 C=C(F)CO MCULE-2779963696 [1,0,0,0,0,0|1,0,1]=3 274 B4R0.1 C=C(I)CO MCULE-2533897125 [1,0,0,0,0,0|1,0,1]=3 275 B4R0.1 C=C=C(C)C MCULE-8705186354 [1,0,0,0,0,0|2,0,1]=4 276 B4R0.1 C=CB(O)O MCULE-2531600001 [1,0,0,0,0,0|1,0,1]=3 277 B4R0.1 C=CC(=C)C MCULE-1668999564 [1,0,0,0,0,0|2,0,0]=3 278 B4R0.1 C=CC(=O)C MCULE-4924646293 [1,0,0,0,0,0|1,0,0]=2 279 B4R0.1 C=CC(=O)Cl MCULE-3579233798 [1,0,0,0,0,0|1,0,0]=2 280 B4R0.1 C=CC(=O)N MCULE-4309430654 [1,0,0,0,0,0|1,0,0]=2 281 B4R0.1 C=CC(=O)O MCULE-9352227082 [1,0,0,0,0,0|0,0,0]=1 282 B4R0.1 C=CC(=O)[O-] MCULE-3928960314 [1,0,0,0,0,0|0,0,1]=2 283 B4R0.1 C=CC(=O)[O-] MCULE-4331301308 [1,0,0,0,0,0|0,0,1]=2 284 B4R0.1 C=CC(=O)[O-] MCULE-5516854555 [1,0,0,0,0,0|0,0,1]=2 285 B4R0.1 C=CC(C)Cl MCULE-1756172983 [1,0,0,0,0,0|2,0,1]=4 286 B4R0.1 C=CC(C)N MCULE-5748048106 [1,0,0,0,0,0|1,0,2]=4 287 B4R0.1 C=CC(C)N MCULE-6786590923 [1,0,0,0,0,0|1,0,2]=4 288 B4R0.1 C=CC(C)O MCULE-4525368256 [1,0,0,0,0,0|1,0,1]=3 289 B4R0.1 C=CN(=O)=O MCULE-1988475489 [1,0,0,0,0,0|1,0,1]=3 290 B4R0.1 C=C[C@@H](C)N MCULE-4388444035 [1,0,0,0,0,0|1,0,2]=4 291 B4R0.1 C=C[C@@H](C)N MCULE-6107415849 [1,0,0,0,0,0|1,0,2]=4 292 B4R0.1 C=C[C@@H](C)N MCULE-6707490046 [1,0,0,0,0,0|1,0,2]=4 293 B4R0.1 C=C[C@@H](C)N MCULE-9654995108 [1,0,0,0,0,0|1,0,2]=4 294 B4R0.1 C=C[C@H](C)N MCULE-1396113041 [1,0,0,0,0,0|1,0,2]=4 295 B4R0.1 C=C[C@H](C)N MCULE-2197513722 [1,0,0,0,0,0|1,0,2]=4 296 B4R0.1 C=C[C@H](C)N MCULE-4698235480 [1,0,0,0,0,0|1,0,2]=4 297 B4R0.1 C=C[C@H](C)N MCULE-8745929233 [1,0,0,0,0,0|1,0,2]=4 298 B4R0.1 C=C[C@H](C)O MCULE-2251589245 [1,0,0,0,0,0|1,0,1]=3 299 B4R0.1 CC(=CBr)C MCULE-9508381610 [1,0,0,0,0,0|2,0,1]=4 300 B4R0.1 CC(=CCl)C MCULE-4321554138 [1,0,0,0,0,0|2,0,1]=4 301 B4R0.1 CC(=CCl)Cl MCULE-3528888685 [1,0,0,0,0,0|2,0,1]=4 302 B4R0.1 CC(=N)NN MCULE-2302306720 [1,0,0,0,0,0|3,0,0]=4 303 B4R0.1 CC(=N)NN MCULE-5362481009 [1,0,0,0,0,0|3,0,0]=4 304 B4R0.1 CC(=NN)C MCULE-8828852790 [1,0,0,0,0,0|3,0,0]=4 305 B4R0.1 CC(=NO)C MCULE-3243100216 [1,0,0,0,0,0|2,0,1]=4 306 B4R0.1 CC(=O)C#N MCULE-6317771757 [1,0,0,0,0,0|1,0,2]=4 307 B4R0.1 CC(=O)C=O MCULE-2718961814 [1,0,0,0,0,0|1,0,1]=3 308 B4R0.1 CC(=O)CBr MCULE-7812920675 [1,0,0,0,0,0|2,0,1]=4 309 B4R0.1 CC(=O)CCl MCULE-2501365933 [1,0,0,0,0,0|2,0,1]=4 310 B4R0.1 CC(=O)CF MCULE-7417279999 [1,0,0,0,0,0|2,0,1]=4 311 B4R0.1 CC(=O)CN MCULE-2715277783 [1,0,0,0,0,0|1,0,1]=3 312 B4R0.1 CC(=O)CN MCULE-6004541862 [1,0,0,0,0,0|1,0,1]=3 313 B4R0.1 CC(=O)CO MCULE-2989526028 [1,0,0,0,0,0|1,0,2]=4 314 B4R0.1 CC(=O)CS MCULE-9736174016 [1,0,0,0,0,0|2,0,1]=4 315 B4R0.1 CC(=O)NBr MCULE-6502070876 [1,0,0,0,0,0|3,0,0]=4 316 B4R0.1 CC(=O)NN MCULE-9183467120 [1,0,0,0,0,0|2,0,0]=3 317 B4R0.1 CC(=O)NO MCULE-2682231025 [1,0,0,0,0,0|2,0,1]=4 318 B4R0.1 CC(=O)OO MCULE-6028338742 [1,0,0,0,0,0|2,0,1]=4 319 B4R0.1 CC(Br)C=O MCULE-6060704330 [1,0,0,0,0,0|1,0,2]=4 320 B4R0.1 CC(C)C=O MCULE-3575731904 [1,0,0,0,0,0|1,0,2]=4 321 B4R0.1 CC(N)C=O MCULE-3421118418 [1,0,0,0,0,0|0,0,2]=3 322 B4R0.1 CC(N)CO MCULE-1361379423 [1,0,0,0,0,0|0,0,3]=4 323 B4R0.1 CC(N)CO MCULE-2098440985 [1,0,0,0,0,0|0,0,3]=4 324 B4R0.1 CC(O)CN MCULE-4370440652 [1,0,0,0,0,0|1,0,2]=4 325 B4R0.1 CC(O)CN MCULE-5694317743 [1,0,0,0,0,0|1,0,2]=4 326 B4R0.1 CC(O)CN MCULE-6406041538 [1,0,0,0,0,0|1,0,2]=4 327 B4R0.1 CC(O)CN MCULE-6636652305 [1,0,0,0,0,0|1,0,2]=4 328 B4R0.1 CC=C(C)Br MCULE-1371905211 [1,0,0,0,0,0|2,0,1]=4 329 B4R0.1 CC=C(C)C MCULE-4230157245 [1,0,0,0,0,0|2,0,1]=4 330 B4R0.1 CC=C(C)Cl MCULE-3844314543 [1,0,0,0,0,0|2,0,1]=4 331 B4R0.1 CC=C(Cl)Cl MCULE-3741261135 [1,0,0,0,0,0|2,0,1]=4 332 B4R0.1 CC=C(F)F MCULE-5544510852 [1,0,0,0,0,0|2,0,1]=4 333 B4R0.1 CCC(=N)N MCULE-1856575742 [1,0,0,0,0,0|2,0,1]=4 334 B4R0.1 CCC(=N)N MCULE-2534386807 [1,0,0,0,0,0|2,0,1]=4 335 B4R0.1 CCC(=O)Br MCULE-7870678619 [1,0,0,0,0,0|1,0,2]=4 336 B4R0.1 CCC(=O)C MCULE-8276670748 [1,0,0,0,0,0|1,0,2]=4 337 B4R0.1 CCC(=O)Cl MCULE-3081874391 [1,0,0,0,0,0|1,0,2]=4 338 B4R0.1 CCC(=O)F MCULE-8783887670 [1,0,0,0,0,0|1,0,2]=4 339 B4R0.1 CCC(=O)N MCULE-3730796130 [1,0,0,0,0,0|1,0,2]=4 340 B4R0.1 CCC(=O)O MCULE-2199051150 [1,0,0,0,0,0|0,0,2]=3 341 B4R0.1 CCC(=O)O MCULE-9800054040 [1,0,0,0,0,0|0,0,2]=3 342 B4R0.1 CCC(=O)S MCULE-3392119766 [1,0,0,0,0,0|0,1,2]=4 343 B4R0.1 CCC(=O)[O-] MCULE-6321502767 [1,0,0,0,0,0|0,0,3]=4 344 B4R0.1 CCC(=S)N MCULE-3921479699 [1,0,0,0,0,0|2,0,1]=4 345 B4R0.1 CCS(=O)O MCULE-9872932319 [1,0,0,0,0,0|1,0,2]=4 346 B4R0.1 CN(C)C=O MCULE-6290117712 [1,0,0,0,0,0|2,0,1]=4 347 B4R0.1 CN(N)C=O MCULE-6353057165 [1,0,0,0,0,0|1,0,1]=3 348 B4R0.1 CNC(=N)N MCULE-1074994749 [1,0,0,0,0,0|3,0,0]=4 349 B4R0.1 CNC(=N)N MCULE-6149731862 [1,0,0,0,0,0|3,0,0]=4 350 B4R0.1 CNC(=N)N MCULE-7667364021 [1,0,0,0,0,0|3,0,0]=4 351 B4R0.1 CNC(=N)N MCULE-7854448694 [1,0,0,0,0,0|3,0,0]=4 352 B4R0.1 CNC(=O)C MCULE-2612997941 [1,0,0,0,0,0|2,0,1]=4 353 B4R0.1 CNC(=O)Cl MCULE-7743744606 [1,0,0,0,0,0|2,0,1]=4 354 B4R0.1 CNC(=O)N MCULE-6422331704 [1,0,0,0,0,0|2,0,1]=4 355 B4R0.1 CNC(=S)N MCULE-7103250725 [1,0,0,0,0,0|3,0,0]=4 356 B4R0.1 COC(=N)N MCULE-1611076737 [1,0,0,0,0,0|3,0,0]=4 357 B4R0.1 COC(=N)N MCULE-4923904579 [1,0,0,0,0,0|3,0,0]=4 358 B4R0.1 COC(=N)N MCULE-6696789855 [1,0,0,0,0,0|3,0,0]=4 359 B4R0.1 COC(=N)N MCULE-9171600210 [1,0,0,0,0,0|3,0,0]=4 360 B4R0.1 COC(=O)C MCULE-7368066093 [1,0,0,0,0,0|2,0,1]=4 361 B4R0.1 COC(=O)Cl MCULE-8022274771 [1,0,0,0,0,0|2,0,1]=4 362 B4R0.1 COC(=O)N MCULE-4070607369 [1,0,0,0,0,0|2,0,1]=4 363 B4R0.1 COC(=S)N MCULE-9414558443 [1,0,0,0,0,0|3,0,0]=4 364 B4R0.1 CSC(=N)N MCULE-1471368384 [1,0,0,0,0,0|3,0,0]=4 365 B4R0.1 CSC(=N)N MCULE-3394284504 [1,0,0,0,0,0|3,0,0]=4 366 B4R0.1 CSC(=N)N MCULE-3752198299 [1,0,0,0,0,0|3,0,0]=4 367 B4R0.1 CSC(=N)N MCULE-5672446896 [1,0,0,0,0,0|3,0,0]=4 368 B4R0.1 CSC(=N)N MCULE-8409992127 [1,0,0,0,0,0|3,0,0]=4 369 B4R0.1 CSC(=O)C MCULE-7061634598 [1,0,0,0,0,0|2,0,1]=4 370 B4R0.1 C[C@@H](N)CO MCULE-5655560645 [1,0,0,0,0,0|0,0,3]=4 371 B4R0.1 C[C@@H](N)CO MCULE-8066658004 [1,0,0,0,0,0|0,0,3]=4 372 B4R0.1 C[C@@H](O)C=O MCULE-5921136435 [1,0,0,0,0,0|1,0,2]=4 373 B4R0.1 C[C@@H](O)CN MCULE-9301041927 [1,0,0,0,0,0|1,0,2]=4 374 B4R0.1 C[C@H](N)CO MCULE-2471107013 [1,0,0,0,0,0|0,0,3]=4 375 B4R0.1 C[C@H](N)CO MCULE-5424195678 [1,0,0,0,0,0|0,0,3]=4 376 B4R0.1 C[C@H](O)CN MCULE-3227371869 [1,0,0,0,0,0|1,0,2]=4 377 B4R0.1 C[C@H](O)CN MCULE-5480489257 [1,0,0,0,0,0|1,0,2]=4 378 B4R0.1 ClC=C(Cl)Cl MCULE-3945953656 [1,0,0,0,0,0|3,0,0]=4 379 B4R0.1 FC(=CBr)F MCULE-5114290777 [1,0,0,0,0,0|3,0,0]=4 380 B4R0.1 FC=C(Br)Br MCULE-3150710627 [1,0,0,0,0,0|3,0,0]=4 381 B4R0.1 FC=C(F)F MCULE-2449532887 [1,0,0,0,0,0|3,0,0]=4 382 B4R0.1 N=C(N)CCl MCULE-1495198330 [1,0,0,0,0,0|2,0,1]=4 383 B4R0.1 N=C(N)CCl MCULE-2087468158 [1,0,0,0,0,0|2,0,1]=4 384 B4R0.1 N=C(N)CF MCULE-4489534021 [1,0,0,0,0,0|2,0,1]=4 385 B4R0.1 N=C(N)CF MCULE-8858704396 [1,0,0,0,0,0|2,0,1]=4 386 B4R0.1 N=C(N)CN MCULE-2761790792 [1,0,0,0,0,0|2,0,1]=4 387 B4R0.1 N=C(N)CN MCULE-5131841850 [1,0,0,0,0,0|2,0,1]=4 388 B4R0.1 N=C(N)CN MCULE-6618111844 [1,0,0,0,0,0|2,0,1]=4 389 B4R0.1 N=C(N)CO MCULE-5146395919 [1,0,0,0,0,0|1,0,1]=3 390 B4R0.1 N=C(N)CO MCULE-8814507460 [1,0,0,0,0,0|1,0,1]=3 391 B4R0.1 N=C(N)NN MCULE-1109353559 [1,0,0,0,0,0|3,0,0]=4 392 B4R0.1 N=C(N)NN MCULE-3637328913 [1,0,0,0,0,0|3,0,0]=4 393 B4R0.1 N=C(N)NN MCULE-4551185793 [1,0,0,0,0,0|3,0,0]=4 394 B4R0.1 N=C(N)NN MCULE-8251830457 [1,0,0,0,0,0|3,0,0]=4 395 B4R0.1 N=C(N)NO MCULE-2554837832 [1,0,0,0,0,0|2,0,0]=3 396 B4R0.1 N=C(N)NO MCULE-5458374815 [1,0,0,0,0,0|2,0,0]=3 397 B4R0.1 N=C(N)NO MCULE-5913043834 [1,0,0,0,0,0|2,0,0]=3 398 B4R0.1 NC(=NO)N MCULE-7650923271 [1,0,0,0,0,0|2,0,0]=3 399 B4R0.1 NC(=O)CBr MCULE-9306090536 [1,0,0,0,0,0|2,0,1]=4 400 B4R0.1 NC(=O)CCl MCULE-3241549842 [1,0,0,0,0,0|2,0,1]=4 401 B4R0.1 NC(=O)CF MCULE-3344212657 [1,0,0,0,0,0|2,0,1]=4 402 B4R0.1 NC(=O)CI MCULE-4217973413 [1,0,0,0,0,0|2,0,1]=4 403 B4R0.1 NC(=O)CO MCULE-2739878376 [1,0,0,0,0,0|1,0,1]=3 404 B4R0.1 NC(=O)CS MCULE-2639305532 [1,0,0,0,0,0|1,1,1]=4 405 B4R0.1 NC(=O)NO MCULE-9465284053 [1,0,0,0,0,0|2,0,0]=3 406 B4R0.1 NC(=S)CF MCULE-7873791134 [1,0,0,0,0,0|2,0,1]=4 407 B4R0.1 NC(=S)CO MCULE-9301705313 [1,0,0,0,0,0|1,0,1]=3 408 B4R0.1 NCC(=O)N MCULE-1048848056 [1,0,0,0,0,0|1,0,1]=3 409 B4R0.1 NCC(=O)N MCULE-2174395809 [1,0,0,0,0,0|1,0,1]=3 410 B4R0.1 NCC(=O)N MCULE-6113166250 [1,0,0,0,0,0|1,0,1]=3 411 B4R0.1 NCC(=O)O MCULE-2415764032 [1,0,0,0,0,0|0,0,1]=2 412 B4R0.1 NCC(=O)O MCULE-3643110755 [1,0,0,0,0,0|0,0,1]=2 413 B4R0.1 NCC(=O)O MCULE-4349255299 [1,0,0,0,0,0|0,0,1]=2 414 B4R0.1 NCC(=O)O MCULE-9146223615 [1,0,0,0,0,0|0,0,1]=2 415 B4R0.1 NCC(=O)O MCULE-9701991737 [1,0,0,0,0,0|0,0,1]=2 416 B4R0.1 NCC(=O)S MCULE-9837799864 [1,0,0,0,0,0|0,1,1]=3 417 B4R0.1 NCC(=O)[O-] MCULE-5975202378 [1,0,0,0,0,0|0,0,2]=3 418 B4R0.1 NCS(=O)[O-] MCULE-6627922989 [1,0,0,0,0,0|1,0,2]=4 419 B4R0.1 NCS(=O)[O-] MCULE-9434739250 [1,0,0,0,0,0|1,0,2]=4 420 B4R0.1 NN=C(N)N MCULE-4671721847 [1,0,0,0,0,0|3,0,0]=4 421 B4R0.1 NNC(=O)N MCULE-3392559370 [1,0,0,0,0,0|2,0,0]=3 422 B4R0.1 NNC(=O)N MCULE-8490374775 [1,0,0,0,0,0|2,0,0]=3 423 B4R0.1 NNC(=S)N MCULE-2970024636 [1,0,0,0,0,0|2,1,0]=4 424 B4R0.1 NNC(=S)N MCULE-6378380063 [1,0,0,0,0,0|2,1,0]=4 425 B4R0.1 O=C(Br)CBr MCULE-6031858200 [1,0,0,0,0,0|2,0,1]=4 426 B4R0.1 O=C(Cl)CBr MCULE-7684029984 [1,0,0,0,0,0|2,0,1]=4 427 B4R0.1 O=C(Cl)CCl MCULE-7076914635 [1,0,0,0,0,0|2,0,1]=4 428 B4R0.1 O=C(Cl)CF MCULE-7182087882 [1,0,0,0,0,0|2,0,1]=4 429 B4R0.1 O=C(Cl)CI MCULE-5719121455 [1,0,0,0,0,0|2,0,1]=4 430 B4R0.1 O=C(Cl)SCl MCULE-5008011265 [1,0,0,0,0,0|3,0,0]=4 431 B4R0.1 O=C(O)CBr MCULE-1503716137 [1,0,0,0,0,0|1,0,1]=3 432 B4R0.1 O=C(O)CCl MCULE-9228754880 [1,0,0,0,0,0|1,0,1]=3 433 B4R0.1 O=C(O)CF MCULE-6584094437 [1,0,0,0,0,0|1,0,1]=3 434 B4R0.1 O=C(O)CI MCULE-3146792857 [1,0,0,0,0,0|1,0,1]=3 435 B4R0.1 O=C(O)CO MCULE-9792551388 [1,0,0,0,0,0|1,0,1]=3 436 B4R0.1 O=C(O)CS MCULE-8097997001 [1,0,0,0,0,0|1,0,1]=3 437 B4R0.1 O=C([O-])CF MCULE-8428965857 [1,0,0,0,0,0|1,0,2]=4 438 B4R0.1 O=C([O-])CO MCULE-2780567509 [1,0,0,0,0,0|1,0,2]=4 439 B4R0.1 O=C([O-])CS MCULE-3314809220 [1,0,0,0,0,0|1,0,2]=4 440 B4R0.1 O=C([O-])CS MCULE-5989133747 [1,0,0,0,0,0|1,0,2]=4 441 B4R0.1 O=CC(=O)O MCULE-5307898766 [1,0,0,0,0,0|1,0,0]=2 442 B4R0.1 O=CC(Cl)Cl MCULE-7925858204 [1,0,0,0,0,0|2,0,1]=4 443 B4R0.1 O=S(O)CO MCULE-4195832185 [1,0,0,0,0,0|2,0,1]=4 444 B4R0.1 ON=C(Br)Br MCULE-4053513648 [1,0,0,0,0,0|3,0,0]=4 445 B4R0.1 P(=O)(O)CN MCULE-5441171864 [1,0,0,0,0,0|1,0,1]=3 446 B4R0.1 [C@H](C)(O)CN MCULE-8212000072 [1,0,0,0,0,0|1,0,2]=4 447 B4R0.1 [NH3+]NC(=N)N MCULE-6971198355 [1,0,0,0,0,0|3,0,0]=4 448 B6R0.3 C#CC(O)C(=O)O MCULE-4214673632 [0,1,0,0,0,0|1,0,2]=4 449 B6R0.3 C(C)(OC)C(=O)O MCULE-4852209230 [0,1,0,0,0,0|1,0,2]=4 450 B6R0.3 C(N)(CO)C(=O)N MCULE-5512645571 [0,1,0,0,0,0|1,0,2]=4 451 B6R0.3 C(N)(CO)C(=O)N MCULE-5852943337 [0,1,0,0,0,0|1,0,2]=4 452 B6R0.3 C/C=C(/C)\C(=O)O MCULE-2116066534 [0,1,0,0,0,0|1,0,0]=2 453 B6R0.3 C/C=C(\Br)/C(=O)O MCULE-5940308548 [0,1,0,0,0,0|1,0,0]=2 454 B6R0.3 C/C=C(\C)/C(=O)O MCULE-4890719796 [0,1,0,0,0,0|1,0,0]=2 455 B6R0.3 C/C=C(\O)/C(=O)O MCULE-9596699660 [0,1,0,0,0,0|1,0,0]=2 456 B6R0.3 C=C(Br)C(=O)OC MCULE-6192595524 [0,1,0,0,0,0|1,0,0]=2 457 B6R0.3 C=C(C#N)C(=O)O MCULE-1746285232 [0,1,0,0,0,0|0,0,1]=2 458 B6R0.3 C=C(C)C(=O)NC MCULE-9515227181 [0,1,0,0,0,0|2,0,0]=3 459 B6R0.3 C=C(C)C(=O)NN MCULE-5114453960 [0,1,0,0,0,0|2,0,0]=3 460 B6R0.3 C=C(C)C(=O)OC MCULE-9286083206 [0,1,0,0,0,0|1,0,0]=2 461 B6R0.3 C=C(CBr)C(=O)O MCULE-7257367588 [0,1,0,0,0,0|1,0,0]=2 462 B6R0.3 C=C(CC)C(=O)O MCULE-7335567367 [0,1,0,0,0,0|1,0,0]=2 463 B6R0.3 C=C(CO)C(=O)O MCULE-9731648602 [0,1,0,0,0,0|1,0,0]=2 464 B6R0.3 C=C(Cl)C(=O)OC MCULE-6494333767 [0,1,0,0,0,0|1,0,0]=2 465 B6R0.3 C=C(F)C(=O)OC MCULE-8485282148 [0,1,0,0,0,0|1,0,0]=2 466 B6R0.3 C=C(OC)C(=O)O MCULE-9965334560 [0,1,0,0,0,0|1,0,0]=2 467 B6R0.3 C=CC(=O)C(=O)O MCULE-9816982424 [0,1,0,0,0,0|1,0,0]=2 468 B6R0.3 C=CC(C)C(=O)O MCULE-7280145889 [0,1,0,0,0,0|1,0,1]=3 469 B6R0.3 C=CC(N)C(=O)O MCULE-2000511750 [0,1,0,0,0,0|0,0,1]=2 470 B6R0.3 C=CC(N)C(=O)O MCULE-7504415267 [0,1,0,0,0,0|0,0,1]=2 471 B6R0.3 C=CC(N)C(=O)O MCULE-9012490000 [0,1,0,0,0,0|0,0,1]=2 472 B6R0.3 C=CC(N)C(=O)O MCULE-9978294266 [0,1,0,0,0,0|0,0,1]=2 473 B6R0.3 C=CC(O)C(=O)O MCULE-3847595710 [0,1,0,0,0,0|1,0,1]=3 474 B6R0.3 C=CN(C)C(=O)C MCULE-2418332000 [0,1,0,0,0,0|3,0,0]=4 475 B6R0.3 C=C[C@@H](C)C(=O)O MCULE-9719548038 [0,1,0,0,0,0|1,0,1]=3 476 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-3678761806 [0,1,0,0,0,0|0,0,1]=2 477 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-6682447306 [0,1,0,0,0,0|0,0,1]=2 478 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-6779191781 [0,1,0,0,0,0|0,0,1]=2 479 B6R0.3 C=C[C@H](C)C(=O)O MCULE-1694697840 [0,1,0,0,0,0|1,0,1]=3 480 B6R0.3 C=C[C@H](C)C(=O)O MCULE-2601438258 [0,1,0,0,0,0|1,0,1]=3 481 B6R0.3 C=C[C@H](C)C(=O)O MCULE-6098133430 [0,1,0,0,0,0|1,0,1]=3 482 B6R0.3 C=C[C@H](N)C(=O)O MCULE-2657488498 [0,1,0,0,0,0|0,0,1]=2 483 B6R0.3 C=C[C@H](N)C(=O)O MCULE-5103456570 [0,1,0,0,0,0|0,0,1]=2 484 B6R0.3 C=C[C@H](N)C(=O)O MCULE-5936124947 [0,1,0,0,0,0|0,0,1]=2 485 B6R0.3 C=C[C@H](N)C(=O)O MCULE-9631686254 [0,1,0,0,0,0|0,0,1]=2 486 B6R0.3 CC(=C(Br)CN)C MCULE-2433306744 [0,1,0,0,0,0|3,0,0]=4 487 B6R0.3 CC(=C(C)CO)C MCULE-2852322197 [0,1,0,0,0,0|2,0,1]=4 488 B6R0.3 CC(=C(F)CN)C MCULE-8503104664 [0,1,0,0,0,0|3,0,0]=4 489 B6R0.3 CC(=C(F)CN)C MCULE-8932417146 [0,1,0,0,0,0|3,0,0]=4 490 B6R0.3 CC(=C(F)CO)C MCULE-3552996593 [0,1,0,0,0,0|2,0,1]=4 491 B6R0.3 CC(=CBr)C(=O)O MCULE-3682516046 [0,1,0,0,0,0|1,0,0]=2 492 B6R0.3 CC(=NO)C(=O)O MCULE-8264934008 [0,1,0,0,0,0|0,0,2]=3 493 B6R0.3 CC(=O)/C(=N/O)/C MCULE-2017881701 [0,1,0,0,0,0|1,0,2]=4 494 B6R0.3 CC(=O)/C(=N\O)/C MCULE-6814264333 [0,1,0,0,0,0|1,0,2]=4 495 B6R0.3 CC(=O)C(=NO)C MCULE-3626428375 [0,1,0,0,0,0|1,0,2]=4 496 B6R0.3 CC(=O)C(=NO)Cl MCULE-9930401042 [0,1,0,0,0,0|2,0,1]=4 497 B6R0.3 CC(=O)C(=O)CBr MCULE-8560925164 [0,1,0,0,0,0|2,0,1]=4 498 B6R0.3 CC(=O)C(=O)CCl MCULE-2778551811 [0,1,0,0,0,0|2,0,1]=4 499 B6R0.3 CC(=O)C(Br)C=O MCULE-6904531970 [0,1,0,0,0,0|2,0,1]=4 500 B6R0.3 CC(=O)C(C)C=O MCULE-7133682970 [0,1,0,0,0,0|2,0,1]=4 501 B6R0.3 CC(=O)C(N)CO MCULE-4063057020 [0,1,0,0,0,0|1,0,2]=4 502 B6R0.3 CC(=O)[C@@H](N)CO MCULE-9046372356 [0,1,0,0,0,0|1,0,2]=4 503 B6R0.3 CC(C#N)C(=O)O MCULE-3302580561 [0,1,0,0,0,0|0,0,3]=4 504 B6R0.3 CC(C)C(=O)CO MCULE-8746789873 [0,1,0,0,0,0|1,0,2]=4 505 B6R0.3 CC(CBr)C(=O)O MCULE-1430003780 [0,1,0,0,0,0|1,0,2]=4 506 B6R0.3 CC(CF)C(=O)O MCULE-7390028409 [0,1,0,0,0,0|1,0,2]=4 507 B6R0.3 CC(CN)C(=O)O MCULE-5485986433 [0,1,0,0,0,0|0,0,2]=3 508 B6R0.3 CC(CN)C(=O)O MCULE-5638884438 [0,1,0,0,0,0|0,0,2]=3 509 B6R0.3 CC(CO)C(=O)O MCULE-2772009804 [0,1,0,0,0,0|1,0,2]=4 510 B6R0.3 CC(CS)C(=O)O MCULE-9982386135 [0,1,0,0,0,0|1,0,2]=4 511 B6R0.3 CC(O)/C(=N/O)/N MCULE-6135321689 [0,1,0,0,0,0|2,0,1]=4 512 B6R0.3 CC(O)C(=O)NN MCULE-4510079670 [0,1,0,0,0,0|2,0,1]=4 513 B6R0.3 CC(ON)C(=O)O MCULE-1969235976 [0,1,0,0,0,0|0,0,2]=3 514 B6R0.3 CC(ON)C(=O)O MCULE-4318537884 [0,1,0,0,0,0|0,0,2]=3 515 B6R0.3 CC(ON)C(=O)O MCULE-4455753863 [0,1,0,0,0,0|0,0,2]=3 516 B6R0.3 CC(ON)C(=O)O MCULE-8893009712 [0,1,0,0,0,0|0,0,2]=3 517 B6R0.3 CC=C(Br)C(=O)O MCULE-5368794596 [0,1,0,0,0,0|1,0,0]=2 518 B6R0.3 CC=C(C)B(O)O MCULE-7915552360 [0,1,0,0,0,0|2,0,1]=4 519 B6R0.3 CC=C(C)C(=O)C MCULE-8950290711 [0,1,0,0,0,0|2,0,0]=3 520 B6R0.3 CC=C(C)C(=O)Cl MCULE-2974704783 [0,1,0,0,0,0|2,0,0]=3 521 B6R0.3 CC=C(C)C(=O)O MCULE-2390677360 [0,1,0,0,0,0|1,0,0]=2 522 B6R0.3 CC=C(Cl)C(=O)O MCULE-5827690088 [0,1,0,0,0,0|1,0,0]=2 523 B6R0.3 CC=C(F)C(=O)O MCULE-5053310707 [0,1,0,0,0,0|1,0,0]=2 524 B6R0.3 CC=C(O)C(=O)O MCULE-7886990963 [0,1,0,0,0,0|1,0,0]=2 525 B6R0.3 CCC(=O)C(=O)C MCULE-3065014067 [0,1,0,0,0,0|2,0,1]=4 526 B6R0.3 CCC(=O)C(=O)O MCULE-8360398438 [0,1,0,0,0,0|1,0,1]=3 527 B6R0.3 CCC(=O)C(=O)[O-] MCULE-7571698792 [0,1,0,0,0,0|1,0,2]=4 528 B6R0.3 CCC(=O)C(C)N MCULE-5434634349 [0,1,0,0,0,0|1,0,2]=4 529 B6R0.3 CCC(=O)C(C)N MCULE-8408562669 [0,1,0,0,0,0|1,0,2]=4 530 B6R0.3 CCC(Br)C(=O)O MCULE-4214463814 [0,1,0,0,0,0|1,0,2]=4 531 B6R0.3 CCC(C)C(=O)O MCULE-5615925204 [0,1,0,0,0,0|1,0,2]=4 532 B6R0.3 CCC(C)C(=O)O MCULE-7434436828 [0,1,0,0,0,0|1,0,2]=4 533 B6R0.3 CCC(Cl)C(=O)O MCULE-6325944516 [0,1,0,0,0,0|1,0,2]=4 534 B6R0.3 CCC(F)C(=O)O MCULE-3947852767 [0,1,0,0,0,0|1,0,2]=4 535 B6R0.3 CCC(N)C(=O)N MCULE-2662930657 [0,1,0,0,0,0|1,0,2]=4 536 B6R0.3 CCC(N)C(=O)N MCULE-5136248706 [0,1,0,0,0,0|1,0,2]=4 537 B6R0.3 CCC(N)C(=O)N MCULE-8876361903 [0,1,0,0,0,0|1,0,2]=4 538 B6R0.3 CCC(N)C(=O)N MCULE-9704177556 [0,1,0,0,0,0|1,0,2]=4 539 B6R0.3 CCC(N)C(=O)O MCULE-2132009026 [0,1,0,0,0,0|0,0,2]=3 540 B6R0.3 CCC(N)C(=O)O MCULE-7397078475 [0,1,0,0,0,0|0,0,2]=3 541 B6R0.3 CCC(N)C(=O)O MCULE-8052711911 [0,1,0,0,0,0|0,0,2]=3 542 B6R0.3 CCC(N)C(=O)O MCULE-9815187967 [0,1,0,0,0,0|0,0,2]=3 543 B6R0.3 CCC(O)C(=O)N MCULE-4290959224 [0,1,0,0,0,0|2,0,1]=4 544 B6R0.3 CCC(O)C(=O)O MCULE-1958918710 [0,1,0,0,0,0|1,0,2]=4 545 B6R0.3 CCC(O)C(=O)O MCULE-2006594131 [0,1,0,0,0,0|1,0,2]=4 546 B6R0.3 CCC(S)C(=O)O MCULE-9887370695 [0,1,0,0,0,0|1,0,2]=4 547 B6R0.3 CCN(N)C(=O)N MCULE-8674876262 [0,1,0,0,0,0|2,0,1]=4 548 B6R0.3 CC[C@@H](Br)C(=O)O MCULE-3890418201 [0,1,0,0,0,0|1,0,2]=4 549 B6R0.3 CC[C@@H](Br)C(=O)O MCULE-5910145154 [0,1,0,0,0,0|1,0,2]=4 550 B6R0.3 CC[C@@H](C)C(=O)O MCULE-4225604875 [0,1,0,0,0,0|1,0,2]=4 551 B6R0.3 CC[C@@H](C)C(=O)O MCULE-6581991788 [0,1,0,0,0,0|1,0,2]=4 552 B6R0.3 CC[C@@H](Cl)C(=O)O MCULE-2496023102 [0,1,0,0,0,0|1,0,2]=4 553 B6R0.3 CC[C@@H](Cl)C(=O)O MCULE-9719915588 [0,1,0,0,0,0|1,0,2]=4 554 B6R0.3 CC[C@@H](N)C(=O)N MCULE-2790345262 [0,1,0,0,0,0|1,0,2]=4 555 B6R0.3 CC[C@@H](N)C(=O)N MCULE-3501293124 [0,1,0,0,0,0|1,0,2]=4 556 B6R0.3 CC[C@@H](N)C(=O)N MCULE-4913204798 [0,1,0,0,0,0|1,0,2]=4 557 B6R0.3 CC[C@@H](N)C(=O)N MCULE-5005994513 [0,1,0,0,0,0|1,0,2]=4 558 B6R0.3 CC[C@@H](N)C(=O)O MCULE-3824768448 [0,1,0,0,0,0|0,0,2]=3 559 B6R0.3 CC[C@@H](N)C(=O)O MCULE-7078248621 [0,1,0,0,0,0|0,0,2]=3 560 B6R0.3 CC[C@@H](N)C(=O)O MCULE-8856363896 [0,1,0,0,0,0|0,0,2]=3 561 B6R0.3 CC[C@@H](N)C(=O)O MCULE-9662763952 [0,1,0,0,0,0|0,0,2]=3 562 B6R0.3 CC[C@@H](O)C(=O)O MCULE-8118182602 [0,1,0,0,0,0|1,0,2]=4 563 B6R0.3 CC[C@@H](O)C(=O)O MCULE-9744322272 [0,1,0,0,0,0|1,0,2]=4 564 B6R0.3 CC[C@H](Br)C(=O)O MCULE-2859668715 [0,1,0,0,0,0|1,0,2]=4 565 B6R0.3 CC[C@H](Br)C(=O)O MCULE-9989821197 [0,1,0,0,0,0|1,0,2]=4 566 B6R0.3 CC[C@H](C)C(=O)O MCULE-5170193492 [0,1,0,0,0,0|1,0,2]=4 567 B6R0.3 CC[C@H](C)C(=O)O MCULE-6595467867 [0,1,0,0,0,0|1,0,2]=4 568 B6R0.3 CC[C@H](Cl)C(=O)O MCULE-8870390851 [0,1,0,0,0,0|1,0,2]=4 569 B6R0.3 CC[C@H](N)C(=O)N MCULE-1934671300 [0,1,0,0,0,0|1,0,2]=4 570 B6R0.3 CC[C@H](N)C(=O)N MCULE-3034729287 [0,1,0,0,0,0|1,0,2]=4 571 B6R0.3 CC[C@H](N)C(=O)N MCULE-6902117665 [0,1,0,0,0,0|1,0,2]=4 572 B6R0.3 CC[C@H](N)C(=O)N MCULE-9419812665 [0,1,0,0,0,0|1,0,2]=4 573 B6R0.3 CC[C@H](N)C(=O)O MCULE-3597025691 [0,1,0,0,0,0|0,0,2]=3 574 B6R0.3 CC[C@H](N)C(=O)O MCULE-5445914617 [0,1,0,0,0,0|0,0,2]=3 575 B6R0.3 CC[C@H](N)C(=O)O MCULE-7781302707 [0,1,0,0,0,0|0,0,2]=3 576 B6R0.3 CC[C@H](N)C(=O)O MCULE-8446392822 [0,1,0,0,0,0|0,0,2]=3 577 B6R0.3 CC[C@H](N)C(=[Se])O MCULE-2161876558 [0,1,0,0,0,0|0,1,2]=4 578 B6R0.3 CC[C@H](N)C(=[Se])O MCULE-6045953433 [0,1,0,0,0,0|0,1,2]=4 579 B6R0.3 CC[C@H](O)C(=O)O MCULE-4284991317 [0,1,0,0,0,0|1,0,2]=4 580 B6R0.3 CC[C@H](O)C(=O)O MCULE-6782147427 [0,1,0,0,0,0|1,0,2]=4 581 B6R0.3 CN(C)C(=O)CO MCULE-8470749078 [0,1,0,0,0,0|2,0,1]=4 582 B6R0.3 CN(C)C(=O)NO MCULE-7406409363 [0,1,0,0,0,0|2,0,1]=4 583 B6R0.3 CN(N)C(=O)NO MCULE-9258932516 [0,1,0,0,0,0|1,0,1]=3 584 B6R0.3 CN(N=O)C(=O)N MCULE-7683488639 [0,1,0,0,0,0|3,0,0]=4 585 B6R0.3 CN(O)C(=O)CN MCULE-6904940710 [0,1,0,0,0,0|3,0,0]=4 586 B6R0.3 CN(O)C(=O)CN MCULE-7352809793 [0,1,0,0,0,0|3,0,0]=4 587 B6R0.3 CNC(=O)C(=O)O MCULE-5436132271 [0,1,0,0,0,0|1,0,0]=2 588 B6R0.3 CNC(=O)C(C)N MCULE-2283707986 [0,1,0,0,0,0|1,0,2]=4 589 B6R0.3 CNC(=O)C(C)N MCULE-2976078375 [0,1,0,0,0,0|1,0,2]=4 590 B6R0.3 CNC(=O)C(C)N MCULE-5544490576 [0,1,0,0,0,0|1,0,2]=4 591 B6R0.3 CNC(=O)C(C)N MCULE-8815196909 [0,1,0,0,0,0|1,0,2]=4 592 B6R0.3 CNC(=O)C(C)O MCULE-4714977257 [0,1,0,0,0,0|2,0,1]=4 593 B6R0.3 CNC(=O)[C@@H](C)N MCULE-4498032248 [0,1,0,0,0,0|1,0,2]=4 594 B6R0.3 CNC(=O)[C@@H](C)N MCULE-6909082129 [0,1,0,0,0,0|1,0,2]=4 595 B6R0.3 CNC(=O)[C@@H](C)N MCULE-7642558844 [0,1,0,0,0,0|1,0,2]=4 596 B6R0.3 CNC(=O)[C@@H](C)N MCULE-8543898121 [0,1,0,0,0,0|1,0,2]=4 597 B6R0.3 CNC(=O)[C@@H](C)O MCULE-8955033466 [0,1,0,0,0,0|2,0,1]=4 598 B6R0.3 CNC(=O)[C@H](C)N MCULE-5297375743 [0,1,0,0,0,0|1,0,2]=4 599 B6R0.3 CNC(=O)[C@H](C)N MCULE-6807150828 [0,1,0,0,0,0|1,0,2]=4 600 B6R0.3 CNC(=O)[C@H](C)N MCULE-8365508630 [0,1,0,0,0,0|1,0,2]=4 601 B6R0.3 CNC(=O)[C@H](C)N MCULE-9773818316 [0,1,0,0,0,0|1,0,2]=4 602 B6R0.3 CNC(=O)[C@H](C)O MCULE-8015727044 [0,1,0,0,0,0|2,0,1]=4 603 B6R0.3 CNC(C)C(=O)N MCULE-1426280147 [0,1,0,0,0,0|1,0,2]=4 604 B6R0.3 CNC(C)C(=O)N MCULE-2344663168 [0,1,0,0,0,0|1,0,2]=4 605 B6R0.3 CNC(C)C(=O)O MCULE-4088114502 [0,1,0,0,0,0|0,0,2]=3 606 B6R0.3 CNC(C)C(=O)O MCULE-7300169560 [0,1,0,0,0,0|0,0,2]=3 607 B6R0.3 CNC(C)C(=O)O MCULE-8623956615 [0,1,0,0,0,0|0,0,2]=3 608 B6R0.3 CN[C@@H](C)C(=O)N MCULE-3316985921 [0,1,0,0,0,0|1,0,2]=4 609 B6R0.3 CN[C@@H](C)C(=O)O MCULE-2079366664 [0,1,0,0,0,0|0,0,2]=3 610 B6R0.3 CN[C@@H](C)C(=O)O MCULE-4072364377 [0,1,0,0,0,0|0,0,2]=3 611 B6R0.3 CN[C@@H](C)C(=O)O MCULE-4518259073 [0,1,0,0,0,0|0,0,2]=3 612 B6R0.3 CN[C@@H](C)C(=O)O MCULE-8200069325 [0,1,0,0,0,0|0,0,2]=3 613 B6R0.3 CN[C@H](C)C(=O)O MCULE-2777429698 [0,1,0,0,0,0|0,0,2]=3 614 B6R0.3 CN[C@H](C)C(=O)O MCULE-7282734154 [0,1,0,0,0,0|0,0,2]=3 615 B6R0.3 CN[C@H](C)C(=O)O MCULE-9709122579 [0,1,0,0,0,0|0,0,2]=3 616 B6R0.3 COC(=O)C(=N)N MCULE-3129647301 [0,1,0,0,0,0|1,0,0]=2 617 B6R0.3 COC(=O)C(=N)N MCULE-4942451868 [0,1,0,0,0,0|1,0,0]=2 618 B6R0.3 COC(=O)C(=O)C MCULE-5423483210 [0,1,0,0,0,0|1,0,1]=3 619 B6R0.3 COC(=O)C(=O)Cl MCULE-1380456689 [0,1,0,0,0,0|2,0,0]=3 620 B6R0.3 COC(=O)C(=O)O MCULE-8527842270 [0,1,0,0,0,0|1,0,1]=3 621 B6R0.3 COC(=O)C(=O)[O-] MCULE-5187907456 [0,1,0,0,0,0|2,0,0]=3 622 B6R0.3 COC(=O)C(=S)N MCULE-8900860523 [0,1,0,0,0,0|1,0,0]=2 623 B6R0.3 COC(=O)C(Br)Br MCULE-7917032365 [0,1,0,0,0,0|2,0,1]=4 624 B6R0.3 COC(=O)C(C)Br MCULE-8218697195 [0,1,0,0,0,0|1,0,2]=4 625 B6R0.3 COC(=O)C(C)C MCULE-8740211817 [0,1,0,0,0,0|1,0,2]=4 626 B6R0.3 COC(=O)C(C)Cl MCULE-5874523100 [0,1,0,0,0,0|1,0,2]=4 627 B6R0.3 COC(=O)C(C)Cl MCULE-7725109837 [0,1,0,0,0,0|1,0,2]=4 628 B6R0.3 COC(=O)C(C)F MCULE-2381396302 [0,1,0,0,0,0|1,0,2]=4 629 B6R0.3 COC(=O)C(C)N MCULE-6823731158 [0,1,0,0,0,0|0,0,2]=3 630 B6R0.3 COC(=O)C(C)N MCULE-7003387212 [0,1,0,0,0,0|0,0,2]=3 631 B6R0.3 COC(=O)C(C)N MCULE-8331503444 [0,1,0,0,0,0|0,0,2]=3 632 B6R0.3 COC(=O)C(C)N MCULE-8860467123 [0,1,0,0,0,0|0,0,2]=3 633 B6R0.3 COC(=O)C(C)O MCULE-7040827393 [0,1,0,0,0,0|1,0,2]=4 634 B6R0.3 COC(=O)C(C)O MCULE-7872489483 [0,1,0,0,0,0|1,0,2]=4 635 B6R0.3 COC(=O)C(C)S MCULE-8499044680 [0,1,0,0,0,0|1,0,2]=4 636 B6R0.3 COC(=O)C(Cl)Cl MCULE-4062853805 [0,1,0,0,0,0|2,0,1]=4 637 B6R0.3 COC(=O)C(F)F MCULE-9701476276 [0,1,0,0,0,0|2,0,1]=4 638 B6R0.3 COC(=O)N(C)C MCULE-7772743169 [0,1,0,0,0,0|2,0,1]=4 639 B6R0.3 COC(=O)N(C)N MCULE-4131925989 [0,1,0,0,0,0|1,0,1]=3 640 B6R0.3 COC(=O)[C@@H](C)Br MCULE-8118895575 [0,1,0,0,0,0|1,0,2]=4 641 B6R0.3 COC(=O)[C@@H](C)Cl MCULE-1037727130 [0,1,0,0,0,0|1,0,2]=4 642 B6R0.3 COC(=O)[C@@H](C)F MCULE-4776326501 [0,1,0,0,0,0|1,0,2]=4 643 B6R0.3 COC(=O)[C@@H](C)F MCULE-8049982812 [0,1,0,0,0,0|1,0,2]=4 644 B6R0.3 COC(=O)[C@@H](C)N MCULE-6142127864 [0,1,0,0,0,0|0,0,2]=3 645 B6R0.3 COC(=O)[C@@H](C)N MCULE-6606835410 [0,1,0,0,0,0|0,0,2]=3 646 B6R0.3 COC(=O)[C@@H](C)N MCULE-7979979694 [0,1,0,0,0,0|0,0,2]=3 647 B6R0.3 COC(=O)[C@@H](C)N MCULE-9290287586 [0,1,0,0,0,0|0,0,2]=3 648 B6R0.3 COC(=O)[C@@H](C)O MCULE-5441095431 [0,1,0,0,0,0|1,0,2]=4 649 B6R0.3 COC(=O)[C@@H](C)O MCULE-6924152779 [0,1,0,0,0,0|1,0,2]=4 650 B6R0.3 COC(=O)[C@H](C)Cl MCULE-1009662992 [0,1,0,0,0,0|1,0,2]=4 651 B6R0.3 COC(=O)[C@H](C)Cl MCULE-7624485295 [0,1,0,0,0,0|1,0,2]=4 652 B6R0.3 COC(=O)[C@H](C)N MCULE-1665306037 [0,1,0,0,0,0|0,0,2]=3 653 B6R0.3 COC(=O)[C@H](C)N MCULE-2941352505 [0,1,0,0,0,0|0,0,2]=3 654 B6R0.3 COC(=O)[C@H](C)N MCULE-5314047552 [0,1,0,0,0,0|0,0,2]=3 655 B6R0.3 COC(=O)[C@H](C)N MCULE-7930428859 [0,1,0,0,0,0|0,0,2]=3 656 B6R0.3 COC(=O)[C@H](C)O MCULE-2590929895 [0,1,0,0,0,0|1,0,2]=4 657 B6R0.3 COC(=O)[C@H](C)O MCULE-3292709954 [0,1,0,0,0,0|1,0,2]=4 658 B6R0.3 COC(Br)C(=O)O MCULE-9018983840 [0,1,0,0,0,0|1,0,2]=4 659 B6R0.3 COC(C)C(=O)N MCULE-5955494048 [0,1,0,0,0,0|2,0,1]=4 660 B6R0.3 COC(C)C(=O)O MCULE-8913745653 [0,1,0,0,0,0|1,0,2]=4 661 B6R0.3 COC(C)C(=S)N MCULE-6827196665 [0,1,0,0,0,0|2,0,1]=4 662 B6R0.3 CO[C@@H](C)C(=O)O MCULE-7456458246 [0,1,0,0,0,0|1,0,2]=4 663 B6R0.3 CO[C@@H](C)C(=O)O MCULE-8108977564 [0,1,0,0,0,0|1,0,2]=4 664 B6R0.3 CO[C@H](C)C(=O)O MCULE-3078851913 [0,1,0,0,0,0|1,0,2]=4 665 B6R0.3 CO[C@H](C)C(=O)O MCULE-5370950850 [0,1,0,0,0,0|1,0,2]=4 666 B6R0.3 CSC(C)C(=O)O MCULE-8062487948 [0,1,0,0,0,0|1,0,2]=4 667 B6R0.3 C[C@@H](CN)C(=O)O MCULE-4438181090 [0,1,0,0,0,0|0,0,2]=3 668 B6R0.3 C[C@@H](CN)C(=O)O MCULE-4599481344 [0,1,0,0,0,0|0,0,2]=3 669 B6R0.3 C[C@@H](CN)C(=O)O MCULE-5826933618 [0,1,0,0,0,0|0,0,2]=3 670 B6R0.3 C[C@@H](CN)C(=O)O MCULE-5914856504 [0,1,0,0,0,0|0,0,2]=3 671 B6R0.3 C[C@@H](CO)C(=O)O MCULE-1381224499 [0,1,0,0,0,0|1,0,2]=4 672 B6R0.3 C[C@@H](CO)C(=O)O MCULE-4599417419 [0,1,0,0,0,0|1,0,2]=4 673 B6R0.3 C[C@@H](ON)C(=O)O MCULE-1538722507 [0,1,0,0,0,0|0,0,2]=3 674 B6R0.3 C[C@@H](ON)C(=O)O MCULE-3835402446 [0,1,0,0,0,0|0,0,2]=3 675 B6R0.3 C[C@H](CN)C(=O)O MCULE-3703540023 [0,1,0,0,0,0|0,0,2]=3 676 B6R0.3 C[C@H](CN)C(=O)O MCULE-5714771083 [0,1,0,0,0,0|0,0,2]=3 677 B6R0.3 C[C@H](CN)C(=O)O MCULE-9009901306 [0,1,0,0,0,0|0,0,2]=3 678 B6R0.3 C[C@H](CN)C(=O)O MCULE-9217365463 [0,1,0,0,0,0|0,0,2]=3 679 B6R0.3 C[C@H](CO)C(=O)O MCULE-7012562122 [0,1,0,0,0,0|1,0,2]=4 680 B6R0.3 C[C@H](CO)C(=O)O MCULE-9702865885 [0,1,0,0,0,0|1,0,2]=4 681 B6R0.3 C[C@H](N)C(=O)CCl MCULE-1387458909 [0,1,0,0,0,0|1,0,2]=4 682 B6R0.3 C[C@H](N)C(=O)CCl MCULE-3307546885 [0,1,0,0,0,0|1,0,2]=4 683 B6R0.3 C[C@H](ON)C(=O)O MCULE-3327889540 [0,1,0,0,0,0|0,0,2]=3 684 B6R0.3 C[C@H](ON)C(=O)O MCULE-4523264650 [0,1,0,0,0,0|0,0,2]=3 685 B6R0.3 N#CC(=C(Cl)Cl)N MCULE-1027351101 [0,1,0,0,0,0|2,0,1]=4 686 B6R0.3 N#CC(N)C(=O)N MCULE-3175667831 [0,1,0,0,0,0|1,0,2]=4 687 B6R0.3 NC(=O)/C(=N/O)/N MCULE-6909019905 [0,1,0,0,0,0|2,0,0]=3 688 B6R0.3 NC(=O)C(N)CO MCULE-4842751232 [0,1,0,0,0,0|1,0,2]=4 689 B6R0.3 NC(=O)C(N)CO MCULE-6854366147 [0,1,0,0,0,0|1,0,2]=4 690 B6R0.3 NC(=O)C(N)CS MCULE-3144051628 [0,1,0,0,0,0|1,0,2]=4 691 B6R0.3 NC(=O)C(N)CS MCULE-7739536595 [0,1,0,0,0,0|1,0,2]=4 692 B6R0.3 NC(=O)[C@@H](N)CO MCULE-2185844038 [0,1,0,0,0,0|1,0,2]=4 693 B6R0.3 NC(=O)[C@@H](N)CO MCULE-3623516041 [0,1,0,0,0,0|1,0,2]=4 694 B6R0.3 NC(=O)[C@@H](N)CO MCULE-6218638108 [0,1,0,0,0,0|1,0,2]=4 695 B6R0.3 NC(=O)[C@@H](N)CS MCULE-9790378691 [0,1,0,0,0,0|1,0,2]=4 696 B6R0.3 NC(=O)[C@H](N)CO MCULE-2061645482 [0,1,0,0,0,0|1,0,2]=4 697 B6R0.3 NC(=O)[C@H](N)CO MCULE-5920366137 [0,1,0,0,0,0|1,0,2]=4 698 B6R0.3 NC(=O)[C@H](N)CO MCULE-7612340519 [0,1,0,0,0,0|1,0,2]=4 699 B6R0.3 NC(=O)[C@H](N)CO MCULE-7734326153 [0,1,0,0,0,0|1,0,2]=4 700 B6R0.3 NC(=S)/C(=N/O)/N MCULE-1544637781 [0,1,0,0,0,0|2,0,0]=3 701 B6R0.3 NC(CCl)C(=O)O MCULE-1601405489 [0,1,0,0,0,0|0,0,2]=3 702 B6R0.3 NC(CCl)C(=O)O MCULE-3020306643 [0,1,0,0,0,0|0,0,2]=3 703 B6R0.3 NC(CCl)C(=O)O MCULE-5440349631 [0,1,0,0,0,0|0,0,2]=3 704 B6R0.3 NC(CF)C(=O)O MCULE-3274339636 [0,1,0,0,0,0|0,0,2]=3 705 B6R0.3 NC(CO)C(=O)O MCULE-2425237422 [0,1,0,0,0,0|0,0,2]=3 706 B6R0.3 NC(CO)C(=O)O MCULE-6460387318 [0,1,0,0,0,0|0,0,2]=3 707 B6R0.3 NC(CS)C(=O)O MCULE-1666411258 [0,1,0,0,0,0|0,0,2]=3 708 B6R0.3 NC(CS)C(=O)O MCULE-2938329352 [0,1,0,0,0,0|0,0,2]=3 709 B6R0.3 NC(CS)C(=O)O MCULE-7203902929 [0,1,0,0,0,0|0,0,2]=3 710 B6R0.3 NC(CS)C(=O)O MCULE-7790846545 [0,1,0,0,0,0|0,0,2]=3 711 B6R0.3 NCC(=C(Cl)Cl)Cl MCULE-2964597972 [0,1,0,0,0,0|3,0,0]=4 712 B6R0.3 NCC(=C(Cl)Cl)Cl MCULE-7347200020 [0,1,0,0,0,0|3,0,0]=4 713 B6R0.3 NCC(Br)C(=O)O MCULE-2289205408 [0,1,0,0,0,0|1,0,1]=3 714 B6R0.3 NCC(Br)C(=O)O MCULE-9361399143 [0,1,0,0,0,0|1,0,1]=3 715 B6R0.3 NCC(F)C(=O)O MCULE-5666887061 [0,1,0,0,0,0|1,0,1]=3 716 B6R0.3 NCC(F)C(=O)O MCULE-6134707533 [0,1,0,0,0,0|1,0,1]=3 717 B6R0.3 NCC(N)C(=O)O MCULE-1867799207 [0,1,0,0,0,0|0,0,2]=3 718 B6R0.3 NCC(N)C(=O)O MCULE-4853376364 [0,1,0,0,0,0|0,0,2]=3 719 B6R0.3 NCC(N)C(=O)O MCULE-7636331821 [0,1,0,0,0,0|0,0,2]=3 720 B6R0.3 NCC(N)C(=O)O MCULE-7735444546 [0,1,0,0,0,0|0,0,2]=3 721 B6R0.3 NCC(N)C(=O)O MCULE-9197553017 [0,1,0,0,0,0|0,0,2]=3 722 B6R0.3 NCC(O)C(=O)N MCULE-1543465850 [0,1,0,0,0,0|2,0,1]=4 723 B6R0.3 NCC(O)C(=O)N MCULE-9574499203 [0,1,0,0,0,0|2,0,1]=4 724 B6R0.3 NCC(O)C(=O)O MCULE-2137675488 [0,1,0,0,0,0|1,0,1]=3 725 B6R0.3 NCC(O)C(=O)O MCULE-3348306437 [0,1,0,0,0,0|1,0,1]=3 726 B6R0.3 NC[C@@H](F)C(=O)O MCULE-3544959183 [0,1,0,0,0,0|1,0,1]=3 727 B6R0.3 NC[C@@H](F)C(=O)O MCULE-4122418685 [0,1,0,0,0,0|1,0,1]=3 728 B6R0.3 NC[C@@H](F)C(=O)O MCULE-8592364466 [0,1,0,0,0,0|1,0,1]=3 729 B6R0.3 NC[C@@H](F)C(=O)O MCULE-9106826144 [0,1,0,0,0,0|1,0,1]=3 730 B6R0.3 NC[C@@H](N)C(=O)O MCULE-5363126654 [0,1,0,0,0,0|0,0,2]=3 731 B6R0.3 NC[C@@H](N)C(=O)O MCULE-8998345978 [0,1,0,0,0,0|0,0,2]=3 732 B6R0.3 NC[C@@H](N)C(=O)O MCULE-9125384126 [0,1,0,0,0,0|0,0,2]=3 733 B6R0.3 NC[C@@H](O)C(=O)O MCULE-5922773276 [0,1,0,0,0,0|1,0,1]=3 734 B6R0.3 NC[C@@H](O)C(=O)O MCULE-8921832932 [0,1,0,0,0,0|1,0,1]=3 735 B6R0.3 NC[C@H](F)C(=O)O MCULE-2695037152 [0,1,0,0,0,0|1,0,1]=3 736 B6R0.3 NC[C@H](F)C(=O)O MCULE-4323150722 [0,1,0,0,0,0|1,0,1]=3 737 B6R0.3 NC[C@H](F)C(=O)O MCULE-6701791437 [0,1,0,0,0,0|1,0,1]=3 738 B6R0.3 NC[C@H](F)C(=O)O MCULE-7674783008 [0,1,0,0,0,0|1,0,1]=3 739 B6R0.3 NC[C@H](N)C(=O)O MCULE-1389567062 [0,1,0,0,0,0|0,0,2]=3 740 B6R0.3 NC[C@H](N)C(=O)O MCULE-1833064192 [0,1,0,0,0,0|0,0,2]=3 741 B6R0.3 NC[C@H](N)C(=O)O MCULE-2347369254 [0,1,0,0,0,0|0,0,2]=3 742 B6R0.3 NC[C@H](N)C(=O)O MCULE-2781423323 [0,1,0,0,0,0|0,0,2]=3 743 B6R0.3 NC[C@H](N)C(=O)O MCULE-6498458695 [0,1,0,0,0,0|0,0,2]=3 744 B6R0.3 NC[C@H](N)C(=O)O MCULE-8313668715 [0,1,0,0,0,0|0,0,2]=3 745 B6R0.3 NC[C@H](O)C(=O)O MCULE-5854124012 [0,1,0,0,0,0|1,0,1]=3 746 B6R0.3 NC[C@H](O)C(=O)O MCULE-7536593166 [0,1,0,0,0,0|1,0,1]=3 747 B6R0.3 NNC(=O)C(=O)N MCULE-5080628360 [0,1,0,0,0,0|2,0,0]=3 748 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-2896868744 [0,1,0,0,0,0|0,0,2]=3 749 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-5799339909 [0,1,0,0,0,0|0,0,2]=3 750 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-7445121230 [0,1,0,0,0,0|0,0,2]=3 751 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-9137000163 [0,1,0,0,0,0|0,0,2]=3 752 B6R0.3 N[C@@H](CO)C(=O)O MCULE-4580794842 [0,1,0,0,0,0|0,0,2]=3 753 B6R0.3 N[C@@H](CO)C(=O)O MCULE-5604658333 [0,1,0,0,0,0|0,0,2]=3 754 B6R0.3 N[C@@H](CO)C(=O)O MCULE-5884286841 [0,1,0,0,0,0|0,0,2]=3 755 B6R0.3 N[C@@H](CO)C(=O)O MCULE-6118038121 [0,1,0,0,0,0|0,0,2]=3 756 B6R0.3 N[C@@H](CS)C(=O)O MCULE-1896679526 [0,1,0,0,0,0|0,0,2]=3 757 B6R0.3 N[C@@H](CS)C(=O)O MCULE-2206038012 [0,1,0,0,0,0|0,0,2]=3 758 B6R0.3 N[C@@H](CS)C(=O)O MCULE-6337217524 [0,1,0,0,0,0|0,0,2]=3 759 B6R0.3 N[C@@H](CS)C(=O)O MCULE-9685479191 [0,1,0,0,0,0|0,0,2]=3 760 B6R0.3 N[C@H](CCl)C(=O)O MCULE-2647266636 [0,1,0,0,0,0|0,0,2]=3 761 B6R0.3 N[C@H](CCl)C(=O)O MCULE-7797369596 [0,1,0,0,0,0|0,0,2]=3 762 B6R0.3 N[C@H](CCl)C(=O)O MCULE-8133148482 [0,1,0,0,0,0|0,0,2]=3 763 B6R0.3 N[C@H](CCl)C(=O)O MCULE-9324545858 [0,1,0,0,0,0|0,0,2]=3 764 B6R0.3 N[C@H](CF)C(=O)O MCULE-4766495272 [0,1,0,0,0,0|0,0,2]=3 765 B6R0.3 N[C@H](CF)C(=O)O MCULE-7679315401 [0,1,0,0,0,0|0,0,2]=3 766 B6R0.3 N[C@H](CO)C(=O)O MCULE-3271603208 [0,1,0,0,0,0|0,0,2]=3 767 B6R0.3 N[C@H](CO)C(=O)O MCULE-8560981570 [0,1,0,0,0,0|0,0,2]=3 768 B6R0.3 N[C@H](CS)C(=O)O MCULE-2137827959 [0,1,0,0,0,0|0,0,2]=3 769 B6R0.3 N[C@H](CS)C(=O)O MCULE-4521387126 [0,1,0,0,0,0|0,0,2]=3 770 B6R0.3 N[C@H](CS)C(=O)O MCULE-7201506202 [0,1,0,0,0,0|0,0,2]=3 771 B6R0.3 N[C@H](CS)C(=O)O MCULE-9147562606 [0,1,0,0,0,0|0,0,2]=3 772 B6R0.3 O=C(Cl)/C(=C/Cl)/Cl MCULE-1765210878 [0,1,0,0,0,0|2,0,0]=3 773 B6R0.3 O=C(Cl)C(=O)CBr MCULE-1637788630 [0,1,0,0,0,0|2,0,1]=4 774 B6R0.3 O=C(O)/C(=C/Cl)/Cl MCULE-4317518344 [0,1,0,0,0,0|1,0,0]=2 775 B6R0.3 O=C(O)C(=CCl)Cl MCULE-2693859334 [0,1,0,0,0,0|1,0,0]=2 776 B6R0.3 O=C(O)C(=O)CBr MCULE-4768170572 [0,1,0,0,0,0|1,0,1]=3 777 B6R0.3 O=C(O)C(=O)CCl MCULE-7853426045 [0,1,0,0,0,0|1,0,1]=3 778 B6R0.3 O=C(O)C(=O)CF MCULE-5884987827 [0,1,0,0,0,0|1,0,1]=3 779 B6R0.3 O=C(O)C(=O)CO MCULE-2263002631 [0,1,0,0,0,0|1,0,1]=3 780 B6R0.3 O=C(O)C(=O)CS MCULE-7466669113 [0,1,0,0,0,0|1,0,1]=3 781 B6R0.3 O=C(O)C(Br)CBr MCULE-9991448725 [0,1,0,0,0,0|1,0,2]=4 782 B6R0.3 O=C(O)C(Br)CF MCULE-6577995297 [0,1,0,0,0,0|1,0,2]=4 783 B6R0.3 O=C(O)C(Br)CO MCULE-9060407295 [0,1,0,0,0,0|1,0,2]=4 784 B6R0.3 O=C(O)C(Cl)CCl MCULE-4757238565 [0,1,0,0,0,0|1,0,2]=4 785 B6R0.3 O=C(O)C(Cl)CO MCULE-3671026398 [0,1,0,0,0,0|1,0,2]=4 786 B6R0.3 O=C(O)C(F)CF MCULE-4323199927 [0,1,0,0,0,0|1,0,2]=4 787 B6R0.3 O=C(O)C(O)CBr MCULE-2600199692 [0,1,0,0,0,0|1,0,2]=4 788 B6R0.3 O=C(O)C(O)CCl MCULE-6346810624 [0,1,0,0,0,0|1,0,2]=4 789 B6R0.3 O=C(O)C(O)CO MCULE-3634533503 [0,1,0,0,0,0|1,0,2]=4 790 B6R0.3 O=C(O)[C@@H](Br)CO MCULE-4486884639 [0,1,0,0,0,0|1,0,2]=4 791 B6R0.3 O=C(O)[C@@H](Br)CO MCULE-8586594526 [0,1,0,0,0,0|1,0,2]=4 792 B6R0.3 O=C(O)[C@@H](O)CCl MCULE-4927034524 [0,1,0,0,0,0|1,0,2]=4 793 B6R0.3 O=C(O)[C@@H](O)CO MCULE-4917119993 [0,1,0,0,0,0|1,0,2]=4 794 B6R0.3 O=C(O)[C@@H](O)CO MCULE-7996851129 [0,1,0,0,0,0|1,0,2]=4 795 B6R0.3 O=C(O)[C@H](Br)CO MCULE-3770944978 [0,1,0,0,0,0|1,0,2]=4 796 B6R0.3 O=C(O)[C@H](Br)CO MCULE-6926119866 [0,1,0,0,0,0|1,0,2]=4 797 B6R0.3 O=C(O)[C@H](O)CF MCULE-4453713074 [0,1,0,0,0,0|1,0,2]=4 798 B6R0.3 O=C([O-])C(=O)CF MCULE-9109967389 [0,1,0,0,0,0|1,0,2]=4 799 B6R0.3 O=C([O-])C(=O)CS MCULE-4375165973 [0,1,0,0,0,0|1,0,2]=4 800 B6R0.3 OCC(=C(F)F)F MCULE-9266336086 [0,1,0,0,0,0|3,0,0]=4 801 B6R0.3 [C@@H](N)(C=C)C(=O)O MCULE-9406839633 [0,1,0,0,0,0|0,0,1]=2 802 B6R0.3 [C@@H](N)(CN)C(=O)O MCULE-2844054083 [0,1,0,0,0,0|0,0,2]=3 803 B6R0.3 [C@H](C)(Cl)C(=O)OC MCULE-7212330759 [0,1,0,0,0,0|1,0,2]=4 804 B6R0.3 [C@H](C)(NC)C(=O)O MCULE-3677465746 [0,1,0,0,0,0|0,0,2]=3 805 B6R0.3 [C@H](N)(CO)C(=O)N MCULE-2792784400 [0,1,0,0,0,0|1,0,2]=4 806 B6R0.3 [C@H](S)(CC)C(=O)O MCULE-4267293279 [0,1,0,0,0,0|1,0,2]=4 807 B6R0.3 [SeH]C[C@H](N)C(=O)O MCULE-8205075370 [0,1,0,0,0,0|0,0,2]=3 808 B6R0.7 C=C(Br)S(=O)(=O)F MCULE-6224590545 [0,1,0,0,0,0|2,0,1]=4 809 B6R0.7 C=C(C)P(=O)(O)O MCULE-4023318169 [0,1,0,0,0,0|2,0,0]=3 810 B6R0.7 C=C(C)S(=O)(=O)C MCULE-9357759513 [0,1,0,0,0,0|2,0,1]=4 811 B6R0.7 C=C(C)S(=O)(=O)Cl MCULE-2347515245 [0,1,0,0,0,0|2,0,1]=4 812 B6R0.7 CC(=O)C(C)(C)N MCULE-8236547032 [0,1,0,0,0,0|1,0,2]=4 813 B6R0.7 CC(=O)C(C)(C)N MCULE-9736681939 [0,1,0,0,0,0|1,0,2]=4 814 B6R0.7 CC(Br)(Br)C(=O)O MCULE-1654765678 [0,1,0,0,0,0|1,0,2]=4 815 B6R0.7 CC(C)(Br)C(=O)O MCULE-9443967216 [0,1,0,0,0,0|1,0,2]=4 816 B6R0.7 CC(C)(C)C(=O)O MCULE-7166067227 [0,1,0,0,0,0|1,0,2]=4 817 B6R0.7 CC(C)(Cl)C(=O)O MCULE-4744644193 [0,1,0,0,0,0|1,0,2]=4 818 B6R0.7 CC(C)(F)C(=O)O MCULE-9323110637 [0,1,0,0,0,0|1,0,2]=4 819 B6R0.7 CC(C)(N)C(=O)Cl MCULE-1303488979 [0,1,0,0,0,0|1,0,2]=4 820 B6R0.7 CC(C)(N)C(=O)N MCULE-4893991321 [0,1,0,0,0,0|1,0,2]=4 821 B6R0.7 CC(C)(N)C(=O)N MCULE-7819904882 [0,1,0,0,0,0|1,0,2]=4 822 B6R0.7 CC(C)(N)C(=O)O MCULE-4254251799 [0,1,0,0,0,0|0,0,2]=3 823 B6R0.7 CC(C)(N)C(=O)O MCULE-6175880842 [0,1,0,0,0,0|0,0,2]=3 824 B6R0.7 CC(C)(O)C(=N)N MCULE-4499579707 [0,1,0,0,0,0|2,0,1]=4 825 B6R0.7 CC(C)(O)C(=N)N MCULE-5382519131 [0,1,0,0,0,0|2,0,1]=4 826 B6R0.7 CC(C)(O)C(=O)N MCULE-9151369011 [0,1,0,0,0,0|2,0,1]=4 827 B6R0.7 CC(C)(O)C(=O)O MCULE-4093617756 [0,1,0,0,0,0|1,0,2]=4 828 B6R0.7 CC(C)(S)C(=O)O MCULE-1863706684 [0,1,0,0,0,0|1,0,2]=4 829 B6R0.7 CC(Cl)(Cl)C(=O)O MCULE-8201912740 [0,1,0,0,0,0|1,0,2]=4 830 B6R0.7 CC(F)(Br)C(=O)O MCULE-5584369540 [0,1,0,0,0,0|1,0,2]=4 831 B6R0.7 CC(F)(F)C(=O)O MCULE-3936632737 [0,1,0,0,0,0|1,0,2]=4 832 B6R0.7 CC(N)P(=O)(O)O MCULE-6335375089 [0,1,0,0,0,0|1,0,2]=4 833 B6R0.7 C[C@@H](N)P(=O)(O)O MCULE-6555656905 [0,1,0,0,0,0|1,0,2]=4 834 B6R0.7 C[C@H](N)P(=O)(O)O MCULE-8139992515 [0,1,0,0,0,0|1,0,2]=4 835 B6R0.7 N=C(N)S(=O)(=O)O MCULE-9630791590 [0,1,0,0,0,0|2,0,0]=3 836 B6R0.7 O=C(O)C(Br)(Br)Br MCULE-4004191582 [0,1,0,0,0,0|2,0,1]=4 837 B6R0.7 O=C(O)C(Cl)(Br)Br MCULE-9131760998 [0,1,0,0,0,0|2,0,1]=4 838 B6R0.7 O=C(O)C(Cl)(Cl)Cl MCULE-1368734775 [0,1,0,0,0,0|2,0,1]=4 839 B6R0.7 O=C(O)C(F)(Br)Br MCULE-7267386731 [0,1,0,0,0,0|2,0,1]=4 840 B6R0.7 O=C(O)C(F)(Cl)Cl MCULE-2262288122 [0,1,0,0,0,0|2,0,1]=4 841 B6R0.7 O=C(O)C(F)(F)Br MCULE-2634780711 [0,1,0,0,0,0|2,0,1]=4 842 B6R0.7 O=C(O)C(F)(F)Cl MCULE-4915780097 [0,1,0,0,0,0|2,0,1]=4 843 B6R0.7 O=C(O)C(F)(F)F MCULE-1123900266 [0,1,0,0,0,0|2,0,1]=4 844 B6R0.7 O=C(O)C(F)(F)F MCULE-1306154157 [0,1,0,0,0,0|2,0,1]=4 845 B6R0.7 O=C(O)C(F)(F)F MCULE-1561231965 [0,1,0,0,0,0|2,0,1]=4 846 B6R0.7 O=C(O)C(F)(F)F MCULE-1816747517 [0,1,0,0,0,0|2,0,1]=4 847 B6R0.7 O=C(O)C(F)(F)F MCULE-2319878190 [0,1,0,0,0,0|2,0,1]=4 848 B6R0.7 O=C(O)C(F)(F)F MCULE-2350887018 [0,1,0,0,0,0|2,0,1]=4 849 B6R0.7 O=C(O)C(F)(F)F MCULE-3649131132 [0,1,0,0,0,0|2,0,1]=4 850 B6R0.7 O=C(O)C(F)(F)F MCULE-4102655453 [0,1,0,0,0,0|2,0,1]=4 851 B6R0.7 O=C(O)C(F)(F)F MCULE-4310110442 [0,1,0,0,0,0|2,0,1]=4 852 B6R0.7 O=C(O)C(F)(F)F MCULE-4552778330 [0,1,0,0,0,0|2,0,1]=4 853 B6R0.7 O=C(O)C(F)(F)F MCULE-7120837354 [0,1,0,0,0,0|2,0,1]=4 854 B6R0.7 O=C(O)C(F)(F)F MCULE-7149887430 [0,1,0,0,0,0|2,0,1]=4 855 B6R0.7 O=C(O)C(F)(F)F MCULE-7852591452 [0,1,0,0,0,0|2,0,1]=4 856 B6R0.7 O=C(O)C(F)(F)F MCULE-8109453485 [0,1,0,0,0,0|2,0,1]=4 857 B6R0.7 O=C(O)C(F)(F)F MCULE-8676558809 [0,1,0,0,0,0|2,0,1]=4 858 B6R0.7 O=C(O)C(F)(F)F MCULE-9277867041 [0,1,0,0,0,0|2,0,1]=4 859 B6R0.7 O=C(O)C(F)(F)F MCULE-9449194409 [0,1,0,0,0,0|2,0,1]=4 860 B6R0.7 O=C(O)C(F)(F)F MCULE-9734884974 [0,1,0,0,0,0|2,0,1]=4 861 B6R0.7 O=C(O)C(F)(F)F MCULE-9976402631 [0,1,0,0,0,0|2,0,1]=4 862 B6R0.7 O=C(O)C(F)(F)I MCULE-5082044093 [0,1,0,0,0,0|2,0,1]=4 863 B6R0.7 O=C(O)P(=O)(O)O MCULE-6294437098 [0,1,0,0,0,0|3,0,0]=4 864 B6R1.4 CC1COC1=O MCULE-9711165188 [0,0,0,1,0,0|1,0,2]=4 865 B6R1.4 NC1CCC1=O MCULE-3868209809 [0,0,0,1,0,0|1,0,2]=4 866 B6R1.4 NC1CCC1=O MCULE-9741389143 [0,0,0,1,0,0|1,0,2]=4 867 B6R1.4 NC1CNC1=O MCULE-2761616663 [0,0,0,1,0,0|1,0,2]=4 868 B6R1.4 NC1CNC1=O MCULE-3021306383 [0,0,0,1,0,0|1,0,2]=4 869 B6R1.4 NC1CNC1=O MCULE-3943057121 [0,0,0,1,0,0|1,0,2]=4 870 B6R1.4 NC1COC1=O MCULE-6998565452 [0,0,0,1,0,0|0,0,2]=3 871 B6R1.4 NN1CCC1=O MCULE-6200802911 [0,0,0,1,0,0|2,0,1]=4 872 B6R1.4 NN1CCC1=O MCULE-8249778821 [0,0,0,1,0,0|2,0,1]=4 873 B6R1.4 N[C@@H]1CNC1=O MCULE-3645662662 [0,0,0,1,0,0|1,0,2]=4 874 B6R1.4 N[C@@H]1CNC1=O MCULE-4399212271 [0,0,0,1,0,0|1,0,2]=4 875 B6R1.4 N[C@@H]1CNC1=O MCULE-6332076219 [0,0,0,1,0,0|1,0,2]=4 876 B6R1.4 N[C@@H]1CNC1=O MCULE-6365012530 [0,0,0,1,0,0|1,0,2]=4 877 B6R1.4 N[C@@H]1COC1=O MCULE-8080548213 [0,0,0,1,0,0|0,0,2]=3 878 B6R1.4 N[C@@H]1COC1=O MCULE-9370092691 [0,0,0,1,0,0|0,0,2]=3 879 B6R1.4 N[C@H]1CNC1=O MCULE-2792436534 [0,0,0,1,0,0|1,0,2]=4 880 B6R1.4 N[C@H]1CNC1=O MCULE-6881316562 [0,0,0,1,0,0|1,0,2]=4 881 B6R1.4 N[C@H]1CNC1=O MCULE-8864053661 [0,0,0,1,0,0|1,0,2]=4 882 B6R1.4 N[C@H]1CNC1=O MCULE-9014449253 [0,0,0,1,0,0|1,0,2]=4 883 B6R1.4 N[C@H]1COC1=O MCULE-4812631526 [0,0,0,1,0,0|0,0,2]=3 884 B6R1.4 [C@@H]1(COC1=O)N MCULE-7456320845 [0,0,0,1,0,0|0,0,2]=3 885 B6R1.11 C=C(C)C1CO1 MCULE-3656533343 [0,0,0,1,0,0|2,0,1]=4 886 B6R1.11 C=C(Cl)C1CO1 MCULE-5190310903 [0,0,0,1,0,0|2,0,1]=4 887 B6R1.11 NC(=O)C1CO1 MCULE-6911744868 [0,0,0,1,0,0|2,0,1]=4 888 B6R1.11 O=C(O)C1CC1 MCULE-4677373694 [0,0,0,1,0,0|1,0,2]=4 889 B6R1.11 O=C(O)C1CN1 MCULE-3236125597 [0,0,0,1,0,0|0,0,2]=3 890 B6R1.11 O=C(O)C1CO1 MCULE-2152916793 [0,0,0,1,0,0|1,0,2]=4 891 B6R1.11 O=C(O)[C@@H]1CN1 MCULE-4363753412 [0,0,0,1,0,0|0,0,2]=3 892 B6R1.11 O=C(O)[C@H]1CN1 MCULE-4830347195 [0,0,0,1,0,0|0,0,2]=3 893 B6R1.11 O=C(O)[C@H]1CO1 MCULE-5204459723 [0,0,0,1,0,0|1,0,2]=4 894 B6R1.11 O=C(O)[C@H]1CO1 MCULE-6983707093 [0,0,0,1,0,0|1,0,2]=4 895 B6R1.11 O=C([O-])C1CN1 MCULE-6490437892 [0,0,0,1,0,0|0,0,3]=4 896 B6R0.2 C/C(=C\C(=S)N)/N MCULE-9311101194 [0,0,0,0,0,1|1,1,1]=4 897 B6R0.2 C=C(C)C=C(C)C MCULE-1842732141 [0,0,0,0,0,1|3,0,0]=4 898 B6R0.2 C=C(C)CC(=O)C MCULE-3534735279 [0,0,0,0,0,1|2,0,0]=3 899 B6R0.2 C=C(C)CC(=O)O MCULE-5404023928 [0,0,0,0,0,1|1,0,0]=2 900 B6R0.2 C=C(C)C[C@@H](C)O MCULE-8518319636 [0,0,0,0,0,1|2,0,1]=4 901 B6R0.2 C=C(C)C[C@H](C)O MCULE-7139115019 [0,0,0,0,0,1|2,0,1]=4 902 B6R0.2 C=C(C)OC(=O)C MCULE-9345377025 [0,0,0,0,0,1|2,0,0]=3 903 B6R0.2 C=C(I)CC(=O)O MCULE-3849925169 [0,0,0,0,0,1|1,0,0]=2 904 B6R0.2 CC(=CC(=O)Cl)C MCULE-7644585609 [0,0,0,0,0,1|2,0,1]=4 905 B6R0.2 CC(=CC(=O)N)C MCULE-6264319579 [0,0,0,0,0,1|2,0,1]=4 906 B6R0.2 CC(=CC(=O)O)C MCULE-4772426340 [0,0,0,0,0,1|1,0,1]=3 907 B6R0.2 CC(=CC(=O)O)Cl MCULE-7503760292 [0,0,0,0,0,1|1,0,1]=3 908 B6R0.2 CC(=CC(=O)O)I MCULE-2652373771 [0,0,0,0,0,1|1,0,1]=3 909 B6R0.2 CC(=CC(=O)O)N MCULE-5894724848 [0,0,0,0,0,1|0,0,1]=2 910 B6R0.2 CC(=CC(=S)N)N MCULE-2731073832 [0,0,0,0,0,1|1,1,1]=4 911 B6R0.2 CC(=N)CC(=O)C MCULE-4678643052 [0,0,0,0,0,1|1,0,2]=4 912 B6R0.2 CC(=O)/C=C(/C)\N MCULE-1235186190 [0,0,0,0,0,1|1,0,1]=3 913 B6R0.2 CC(=O)/C=C(/C)\[O-] MCULE-3445340105 [0,0,0,0,0,1|2,0,1]=4 914 B6R0.2 CC(=O)/C=C(/C)\[O-] MCULE-7833799417 [0,0,0,0,0,1|2,0,1]=4 915 B6R0.2 CC(=O)/C=C(\C)/N MCULE-6412393370 [0,0,0,0,0,1|1,0,1]=3 916 B6R0.2 CC(=O)C=C(C)C MCULE-4922478422 [0,0,0,0,0,1|2,0,1]=4 917 B6R0.2 CC(=O)C=C(C)N MCULE-2247743178 [0,0,0,0,0,1|1,0,1]=3 918 B6R0.2 CC(=O)C=C(C)O MCULE-7345258397 [0,0,0,0,0,1|2,0,1]=4 919 B6R0.2 CC(=O)C=C(C)[O-] MCULE-7733093724 [0,0,0,0,0,1|2,0,1]=4 920 B6R0.2 CC(=O)CC(=O)C MCULE-6481204381 [0,0,0,0,0,1|2,0,1]=4 921 B6R0.2 CC(=O)CC(=O)N MCULE-1618058771 [0,0,0,0,0,1|2,0,0]=3 922 B6R0.2 CC(=O)CC(=O)O MCULE-2601276539 [0,0,0,0,0,1|1,0,1]=3 923 B6R0.2 CC(=O)CC(=O)[O-] MCULE-6317885864 [0,0,0,0,0,1|1,0,2]=4 924 B6R0.2 CC(=O)CC(=O)[O-] MCULE-8448177875 [0,0,0,0,0,1|1,0,2]=4 925 B6R0.2 CC(=O)CC(C)N MCULE-1028280795 [0,0,0,0,0,1|1,0,2]=4 926 B6R0.2 CC(=O)CC(C)N MCULE-7911343070 [0,0,0,0,0,1|1,0,2]=4 927 B6R0.2 CC(=O)C[C@@H](C)N MCULE-1260669737 [0,0,0,0,0,1|1,0,2]=4 928 B6R0.2 CC(=O)C[C@@H](C)N MCULE-6556661125 [0,0,0,0,0,1|1,0,2]=4 929 B6R0.2 CC(=O)NC(=N)N MCULE-9300028018 [0,0,0,0,0,1|2,0,0]=3 930 B6R0.2 CC(=O)NC(=O)C MCULE-3040534108 [0,0,0,0,0,1|2,0,1]=4 931 B6R0.2 CC(=O)NC(=O)N MCULE-8999775359 [0,0,0,0,0,1|2,0,0]=3 932 B6R0.2 CC(=O)NC(=S)N MCULE-8448117000 [0,0,0,0,0,1|2,0,0]=3 933 B6R0.2 CC(=O)OC(=O)C MCULE-9184217748 [0,0,0,0,0,1|2,0,1]=4 934 B6R0.2 CC(=O)SC(=O)C MCULE-5749449964 [0,0,0,0,0,1|2,0,1]=4 935 B6R0.2 CC(=O)[CH-]C(=O)C MCULE-4855074933 [0,0,0,0,0,1|2,0,1]=4 936 B6R0.2 CC(=O)[CH-]C(=O)C MCULE-6905854247 [0,0,0,0,0,1|2,0,1]=4 937 B6R0.2 CC(Br)CC(=O)O MCULE-3353526571 [0,0,0,0,0,1|1,0,2]=4 938 B6R0.2 CC(C)CC(=O)O MCULE-5805071360 [0,0,0,0,0,1|1,0,2]=4 939 B6R0.2 CC(Cl)CC(=O)O MCULE-1436146199 [0,0,0,0,0,1|1,0,2]=4 940 B6R0.2 CC(F)CC(=O)O MCULE-9214258715 [0,0,0,0,0,1|1,0,2]=4 941 B6R0.2 CC(N)CC(=O)N MCULE-8604112274 [0,0,0,0,0,1|1,0,2]=4 942 B6R0.2 CC(N)CC(=O)N MCULE-8651032460 [0,0,0,0,0,1|1,0,2]=4 943 B6R0.2 CC(N)CC(=O)O MCULE-2960589915 [0,0,0,0,0,1|0,0,2]=3 944 B6R0.2 CC(N)CC(=O)O MCULE-5772407106 [0,0,0,0,0,1|0,0,2]=3 945 B6R0.2 CC(N)CC(=O)O MCULE-7818257350 [0,0,0,0,0,1|0,0,2]=3 946 B6R0.2 CC(N)CC(=O)O MCULE-7847644131 [0,0,0,0,0,1|0,0,2]=3 947 B6R0.2 CC(O)CC(=O)N MCULE-7442557911 [0,0,0,0,0,1|2,0,1]=4 948 B6R0.2 CC(O)CC(=O)O MCULE-3566732882 [0,0,0,0,0,1|1,0,2]=4 949 B6R0.2 CC(O)CC(=O)O MCULE-6537877725 [0,0,0,0,0,1|1,0,2]=4 950 B6R0.2 CN(C)CC(=O)O MCULE-2303978039 [0,0,0,0,0,1|2,0,1]=4 951 B6R0.2 CN(C)CC(=O)O MCULE-3368936600 [0,0,0,0,0,1|2,0,1]=4 952 B6R0.2 C[C@@H](N)CC(=O)O MCULE-2652696372 [0,0,0,0,0,1|0,0,2]=3 953 B6R0.2 C[C@@H](N)CC(=O)O MCULE-7054489636 [0,0,0,0,0,1|0,0,2]=3 954 B6R0.2 C[C@@H](N)CC(=O)O MCULE-7621851215 [0,0,0,0,0,1|0,0,2]=3 955 B6R0.2 C[C@@H](N)CC(=O)O MCULE-8671397640 [0,0,0,0,0,1|0,0,2]=3 956 B6R0.2 C[C@@H](O)CC(=O)O MCULE-2545577683 [0,0,0,0,0,1|1,0,2]=4 957 B6R0.2 C[C@@H](O)CC(=O)O MCULE-4159227891 [0,0,0,0,0,1|1,0,2]=4 958 B6R0.2 C[C@H](Br)CC(=O)O MCULE-1601745040 [0,0,0,0,0,1|1,0,2]=4 959 B6R0.2 C[C@H](Br)CC(=O)O MCULE-2894930407 [0,0,0,0,0,1|1,0,2]=4 960 B6R0.2 C[C@H](N)CC(=O)O MCULE-2656839691 [0,0,0,0,0,1|0,0,2]=3 961 B6R0.2 C[C@H](N)CC(=O)O MCULE-4695512293 [0,0,0,0,0,1|0,0,2]=3 962 B6R0.2 C[C@H](N)CC(=O)O MCULE-5288044169 [0,0,0,0,0,1|0,0,2]=3 963 B6R0.2 C[C@H](N)CC(=O)O MCULE-6641912058 [0,0,0,0,0,1|0,0,2]=3 964 B6R0.2 C[C@H](O)CC(=O)O MCULE-2857686566 [0,0,0,0,0,1|1,0,2]=4 965 B6R0.2 C[C@H](O)CC(=O)O MCULE-3362266278 [0,0,0,0,0,1|1,0,2]=4 966 B6R0.2 N=C(N)CC(=N)N MCULE-4863741442 [0,0,0,0,0,1|3,0,0]=4 967 B6R0.2 N=C(N)CC(=N)N MCULE-8523596922 [0,0,0,0,0,1|3,0,0]=4 968 B6R0.2 N=C(N)CC(=O)N MCULE-9200673939 [0,0,0,0,0,1|2,0,0]=3 969 B6R0.2 N=C(N)NC(=N)N MCULE-3279959199 [0,0,0,0,0,1|3,0,0]=4 970 B6R0.2 N=C(N)NC(=N)N MCULE-5410461738 [0,0,0,0,0,1|3,0,0]=4 971 B6R0.2 N=C(N)NC(=N)N MCULE-7433325616 [0,0,0,0,0,1|3,0,0]=4 972 B6R0.2 N=C(N)NC(=O)N MCULE-1919966850 [0,0,0,0,0,1|2,0,0]=3 973 B6R0.2 N=C(N)NC(=O)N MCULE-3428379172 [0,0,0,0,0,1|2,0,0]=3 974 B6R0.2 N=C(N)NC(=O)N MCULE-6044803486 [0,0,0,0,0,1|2,0,0]=3 975 B6R0.2 N=C(N)NC(=O)N MCULE-8893931961 [0,0,0,0,0,1|2,0,0]=3 976 B6R0.2 N=C(N)NC(=S)N MCULE-9372871737 [0,0,0,0,0,1|2,1,0]=4 977 B6R0.2 N=C(N)NN(=O)=O MCULE-1616315638 [0,0,0,0,0,1|2,0,1]=4 978 B6R0.2 N=C(N)OC(=[NH2+])N MCULE-1040352274 [0,0,0,0,0,1|3,0,0]=4 979 B6R0.2 N=C(N)OC(=[NH2+])N MCULE-7233867485 [0,0,0,0,0,1|3,0,0]=4 980 B6R0.2 N=C([NH3+])CC(=O)N MCULE-7769639649 [0,0,0,0,0,1|2,0,1]=4 981 B6R0.2 NC(=CN(=O)=O)N MCULE-9629386307 [0,0,0,0,0,1|2,0,1]=4 982 B6R0.2 NC(=O)CC(=O)N MCULE-7675159766 [0,0,0,0,0,1|2,0,0]=3 983 B6R0.2 NC(=O)CC(=O)O MCULE-1168254626 [0,0,0,0,0,1|1,0,0]=2 984 B6R0.2 NC(=O)CC(=S)N MCULE-9383188328 [0,0,0,0,0,1|2,0,0]=3 985 B6R0.2 NC(=O)CN(=O)=O MCULE-2051107739 [0,0,0,0,0,1|2,0,1]=4 986 B6R0.2 NC(=O)CN(=O)=O MCULE-6284821429 [0,0,0,0,0,1|2,0,1]=4 987 B6R0.2 NC(=O)NC(=O)N MCULE-4571627886 [0,0,0,0,0,1|2,0,0]=3 988 B6R0.2 NC(=S)CC(=S)N MCULE-2555051271 [0,0,0,0,0,1|2,1,0]=4 989 B6R0.2 NC(=S)NC(=S)N MCULE-5725707827 [0,0,0,0,0,1|2,1,0]=4 990 B6R0.2 NC(F)CC(=O)O MCULE-1563194776 [0,0,0,0,0,1|1,0,1]=3 991 B6R0.2 NC(F)CC(=O)O MCULE-1655564430 [0,0,0,0,0,1|1,0,1]=3 992 B6R0.2 O=C(Cl)CC(=O)Cl MCULE-8779098368 [0,0,0,0,0,1|3,0,0]=4 993 B6R0.2 O=C(O)C=C(Br)Br MCULE-4379078717 [0,0,0,0,0,1|2,0,0]=3 994 B6R0.2 O=C(O)C=C(Cl)Cl MCULE-5096440659 [0,0,0,0,0,1|2,0,0]=3 995 B6R0.2 O=C(O)CB(O)O MCULE-6408403753 [0,0,0,0,0,1|3,0,0]=4 996 B6R0.2 O=C(O)CC(=O)O MCULE-5893043131 [0,0,0,0,0,1|2,0,0]=3 997 B6R0.2 O=C(O)CC(F)F MCULE-9388620099 [0,0,0,0,0,1|2,0,1]=4 998 B6R0.2 O=C(O)CN(=O)=O MCULE-4962751453 [0,0,0,0,0,1|3,0,0]=4 999 B6R0.2 O=C([O-])CC(=O)[O-] MCULE-2327820884 [0,0,0,0,0,1|2,0,1]=4 1000 B6R0.2 O=C([O-])CC(=O)[O-] MCULE-6849635529 [0,0,0,0,0,1|2,0,1]=4 1001 B6R0.2 [NH2+]=C(N)NC(=S)N MCULE-8048711850 [0,0,0,0,0,1|2,1,0]=4 1002 B6R0.2 [NH3+]C(=S)NC(=N)N MCULE-7154221603 [0,0,0,0,0,1|2,1,0]=4 1003 B3R0.1 Br/C=C/Br MCULE-6284547614 [2,0,0,0,0,0|2,0,0]=4 1004 B3R0.1 BrC=CBr MCULE-4478409345 [2,0,0,0,0,0|2,0,0]=4 1005 B3R0.1 C#CC=O MCULE-4187736819 [2,0,0,0,0,0|0,0,2]=4 1006 B3R0.1 C/C=C/Br MCULE-4076369660 [2,0,0,0,0,0|1,0,1]=4 1007 B3R0.1 C/C=N/O MCULE-2376410404 [2,0,0,0,0,0|1,0,1]=4 1008 B3R0.1 C=CC#N MCULE-8176403366 [2,0,0,0,0,0|1,0,1]=4 1009 B3R0.1 C=CC=C MCULE-4134157329 [2,0,0,0,0,0|1,0,0]=3 1010 B3R0.1 C=CC=O MCULE-2104890669 [2,0,0,0,0,0|0,0,0]=2 1011 B3R0.1 C=CCBr MCULE-9486454833 [2,0,0,0,0,0|1,0,1]=4 1012 B3R0.1 C=CCC MCULE-8167907130 [2,0,0,0,0,0|1,0,1]=4 1013 B3R0.1 C=CCCl MCULE-4067772785 [2,0,0,0,0,0|1,0,1]=4 1014 B3R0.1 C=CCF MCULE-7783191980 [2,0,0,0,0,0|1,0,1]=4 1015 B3R0.1 C=CCI MCULE-5037698873 [2,0,0,0,0,0|1,0,1]=4 1016 B3R0.1 C=CCN MCULE-2424616806 [2,0,0,0,0,0|1,0,1]=4 1017 B3R0.1 C=CCN MCULE-2473480946 [2,0,0,0,0,0|1,0,1]=4 1018 B3R0.1 C=CCO MCULE-2145308838 [2,0,0,0,0,0|0,0,1]=3 1019 B3R0.1 C=CCS MCULE-7270484838 [2,0,0,0,0,0|0,1,1]=4 1020 B3R0.1 C=COC MCULE-4880746684 [2,0,0,0,0,0|2,0,0]=4 1021 B3R0.1 CC=CBr MCULE-2098755460 [2,0,0,0,0,0|1,0,1]=4 1022 B3R0.1 CC=CCl MCULE-9225887510 [2,0,0,0,0,0|1,0,1]=4 1023 B3R0.1 CC=NO MCULE-9761317381 [2,0,0,0,0,0|1,0,1]=4 1024 B3R0.1 CCC=O MCULE-4079744837 [2,0,0,0,0,0|0,0,2]=4 1025 B3R0.1 CNC=O MCULE-4739122677 [2,0,0,0,0,0|1,0,1]=4 1026 B3R0.1 COC=O MCULE-9122749354 [2,0,0,0,0,0|1,0,1]=4 1027 B3R0.1 Cl/C=C/Cl MCULE-8326307647 [2,0,0,0,0,0|2,0,0]=4 1028 B3R0.1 Cl/C=C\Cl MCULE-8638364223 [2,0,0,0,0,0|2,0,0]=4 1029 B3R0.1 ClC=CCl MCULE-1709740532 [2,0,0,0,0,0|2,0,0]=4 1030 B3R0.1 F/C=C/Cl MCULE-6748930384 [2,0,0,0,0,0|2,0,0]=4 1031 B3R0.1 FC=CBr MCULE-3730796032 [2,0,0,0,0,0|2,0,0]=4 1032 B3R0.1 FC=CCl MCULE-8668714110 [2,0,0,0,0,0|2,0,0]=4 1033 B3R0.1 FC=CF MCULE-1668825245 [2,0,0,0,0,0|2,0,0]=4 1034 B3R0.1 N/C=N/O MCULE-9567664507 [2,0,0,0,0,0|1,0,0]=3 1035 B3R0.1 NCCO MCULE-5175116598 [2,0,0,0,0,0|0,0,2]=4 1036 B3R0.1 NCCO MCULE-8624730373 [2,0,0,0,0,0|0,0,2]=4 1037 B3R0.1 NNC=O MCULE-6986968107 [2,0,0,0,0,0|1,0,0]=3 1038 B3R0.1 NOC=O MCULE-4489199776 [2,0,0,0,0,0|1,0,0]=3 1039 B3R0.1 O=CC=O MCULE-3212938778 [2,0,0,0,0,0|1,0,0]=3 1040 B3R0.1 O=CCBr MCULE-9076011270 [2,0,0,0,0,0|1,0,1]=4 1041 B3R0.1 O=CCCl MCULE-7307216184 [2,0,0,0,0,0|1,0,1]=4 1042 B3R0.1 O=CCI MCULE-1146810366 [2,0,0,0,0,0|1,0,1]=4 1043 B3R0.2 C=C(C)Br MCULE-7805530064 [2,0,0,0,0,0|1,0,1]=4 1044 B3R0.2 C=C(C)C MCULE-5640095130 [2,0,0,0,0,0|1,0,1]=4 1045 B3R0.2 C=C(C)Cl MCULE-1752401095 [2,0,0,0,0,0|1,0,1]=4 1046 B3R0.2 C=C(C)F MCULE-3213198231 [2,0,0,0,0,0|1,0,1]=4 1047 B3R0.2 C=C(Cl)Cl MCULE-1430323756 [2,0,0,0,0,0|2,0,0]=4 1048 B3R0.2 C=C(F)Cl MCULE-8528897253 [2,0,0,0,0,0|2,0,0]=4 1049 B3R0.2 C=C(F)F MCULE-2471767745 [2,0,0,0,0,0|2,0,0]=4 1050 B3R0.2 CC(=N)N MCULE-3235425606 [2,0,0,0,0,0|1,0,1]=4 1051 B3R0.2 CC(=N)N MCULE-3546679379 [2,0,0,0,0,0|1,0,1]=4 1052 B3R0.2 CC(=N)N MCULE-3597638887 [2,0,0,0,0,0|1,0,1]=4 1053 B3R0.2 CC(=N)N MCULE-9831274654 [2,0,0,0,0,0|1,0,1]=4 1054 B3R0.2 CC(=O)Br MCULE-4892265063 [2,0,0,0,0,0|1,0,1]=4 1055 B3R0.2 CC(=O)C MCULE-6679625040 [2,0,0,0,0,0|1,0,1]=4 1056 B3R0.2 CC(=O)Cl MCULE-9041746362 [2,0,0,0,0,0|1,0,1]=4 1057 B3R0.2 CC(=O)I MCULE-4812718701 [2,0,0,0,0,0|1,0,1]=4 1058 B3R0.2 CC(=O)N MCULE-9280264861 [2,0,0,0,0,0|0,0,1]=3 1059 B3R0.2 CC(=O)O MCULE-1502330578 [2,0,0,0,0,0|0,0,1]=3 1060 B3R0.2 CC(=O)O MCULE-5514028500 [2,0,0,0,0,0|0,0,1]=3 1061 B3R0.2 CC(=O)O MCULE-5942589566 [2,0,0,0,0,0|0,0,1]=3 1062 B3R0.2 CC(=O)O MCULE-6780070129 [2,0,0,0,0,0|0,0,1]=3 1063 B3R0.2 CC(=O)O MCULE-8295936189 [2,0,0,0,0,0|0,0,1]=3 1064 B3R0.2 CC(=O)O MCULE-9103972283 [2,0,0,0,0,0|0,0,1]=3 1065 B3R0.2 CC(=O)O MCULE-9900518424 [2,0,0,0,0,0|0,0,1]=3 1066 B3R0.2 CC(=O)S MCULE-5769447035 [2,0,0,0,0,0|0,1,1]=4 1067 B3R0.2 CC(=O)[O-] MCULE-2314460022 [2,0,0,0,0,0|0,0,2]=4 1068 B3R0.2 CC(=O)[O-] MCULE-2960771771 [2,0,0,0,0,0|0,0,2]=4 1069 B3R0.2 CC(=O)[O-] MCULE-5334052410 [2,0,0,0,0,0|0,0,2]=4 1070 B3R0.2 CC(=O)[O-] MCULE-5482908386 [2,0,0,0,0,0|0,0,2]=4 1071 B3R0.2 CC(=O)[O-] MCULE-9723570182 [2,0,0,0,0,0|0,0,2]=4 1072 B3R0.2 CC(=O)[O-] MCULE-9910426896 [2,0,0,0,0,0|0,0,2]=4 1073 B3R0.2 CC(=S)N MCULE-4635097605 [2,0,0,0,0,0|0,1,1]=4 1074 B3R0.2 CS(=O)N MCULE-5162949591 [2,0,0,0,0,0|1,0,1]=4 1075 B3R0.2 CS(=O)O MCULE-8711306710 [2,0,0,0,0,0|1,0,1]=4 1076 B3R0.2 C[Se](=O)O MCULE-5568767851 [2,0,0,0,0,0|1,0,1]=4 1077 B3R0.2 N=C(N)Cl MCULE-4764134011 [2,0,0,0,0,0|2,0,0]=4 1078 B3R0.2 N=C(N)Cl MCULE-7852054677 [2,0,0,0,0,0|2,0,0]=4 1079 B3R0.2 N=C(N)N MCULE-1152750770 [2,0,0,0,0,0|2,0,0]=4 1080 B3R0.2 N=C(N)N MCULE-1411566696 [2,0,0,0,0,0|2,0,0]=4 1081 B3R0.2 N=C(N)N MCULE-4266731066 [2,0,0,0,0,0|2,0,0]=4 1082 B3R0.2 N=C(N)N MCULE-5921771392 [2,0,0,0,0,0|2,0,0]=4 1083 B3R0.2 N=C(N)N MCULE-6036914599 [2,0,0,0,0,0|2,0,0]=4 1084 B3R0.2 N=C(N)N MCULE-6164013415 [2,0,0,0,0,0|2,0,0]=4 1085 B3R0.2 N=C(N)N MCULE-9649225484 [2,0,0,0,0,0|2,0,0]=4 1086 B3R0.2 NC(=O)N MCULE-3224868954 [2,0,0,0,0,0|1,0,0]=3 1087 B3R0.2 NC(=O)N MCULE-8513891094 [2,0,0,0,0,0|1,0,0]=3 1088 B3R0.2 NC(=O)O MCULE-1579038047 [2,0,0,0,0,0|0,0,0]=2 1089 B3R0.2 NC(=O)O MCULE-3232812015 [2,0,0,0,0,0|0,0,0]=2 1090 B3R0.2 NC(=S)N MCULE-5046264236 [2,0,0,0,0,0|1,1,0]=4 1091 B3R0.2 NC(=S)S MCULE-6182511253 [2,0,0,0,0,0|0,2,0]=4 1092 B3R0.2 NC(=S)[S-] MCULE-1680327465 [2,0,0,0,0,0|0,2,0]=4 1093 B3R0.2 NC(=[Se])N MCULE-3936244532 [2,0,0,0,0,0|1,1,0]=4 1094 B3R0.2 O=C(Cl)[Au] MCULE-6601882022 [2,0,0,0,0,0|2,0,0]=4 1095 B3R0.2 O=C(O)O MCULE-3743781291 [2,0,0,0,0,0|1,0,0]=3 1096 B3R0.2 O=C(O)O MCULE-6373078171 [2,0,0,0,0,0|1,0,0]=3 1097 B3R0.2 O=C([O-])O MCULE-5529655359 [2,0,0,0,0,0|1,0,0]=3 1098 B3R0.2 O=C([O-])O MCULE-7293729150 [2,0,0,0,0,0|1,0,0]=3 1099 B3R0.2 O=C([O-])[O-] MCULE-1092668330 [2,0,0,0,0,0|1,0,1]=4 1100 B3R0.2 O=C([O-])[O-] MCULE-1095103800 [2,0,0,0,0,0|1,0,1]=4 1101 B3R0.2 O=C([O-])[O-] MCULE-1597066471 [2,0,0,0,0,0|1,0,1]=4 1102 B3R0.2 O=C([O-])[O-] MCULE-2005483457 [2,0,0,0,0,0|1,0,1]=4 1103 B3R0.2 O=C([O-])[O-] MCULE-3299525070 [2,0,0,0,0,0|1,0,1]=4 1104 B3R0.2 O=C([O-])[O-] MCULE-4074516840 [2,0,0,0,0,0|1,0,1]=4 1105 B3R0.2 O=C([O-])[O-] MCULE-4180727513 [2,0,0,0,0,0|1,0,1]=4 1106 B3R0.2 O=C([O-])[O-] MCULE-4294265087 [2,0,0,0,0,0|1,0,1]=4 1107 B3R0.2 O=C([O-])[O-] MCULE-5127021441 [2,0,0,0,0,0|1,0,1]=4 1108 B3R0.2 O=C([O-])[O-] MCULE-5345790821 [2,0,0,0,0,0|1,0,1]=4 1109 B3R0.2 O=C([O-])[O-] MCULE-6214917073 [2,0,0,0,0,0|1,0,1]=4 1110 B3R0.2 O=C([O-])[O-] MCULE-6757968396 [2,0,0,0,0,0|1,0,1]=4 1111 B3R0.2 O=C([O-])[O-] MCULE-7714638074 [2,0,0,0,0,0|1,0,1]=4 1112 B3R0.2 O=C([O-])[O-] MCULE-8731559807 [2,0,0,0,0,0|1,0,1]=4 1113 B3R0.2 O=I(=O)O MCULE-6335954469 [2,0,0,0,0,0|2,0,0]=4 1114 B3R0.2 O=I(=O)O MCULE-7906123102 [2,0,0,0,0,0|2,0,0]=4 1115 B3R0.2 O=N(=O)O MCULE-5926867268 [2,0,0,0,0,0|2,0,0]=4 1116 B3R0.2 O=N(=O)O MCULE-8501453871 [2,0,0,0,0,0|2,0,0]=4 1117 B3R0.2 O=P(=O)O MCULE-3007887617 [2,0,0,0,0,0|2,0,0]=4 1118 B3R0.2 O=P(O)O MCULE-8889145943 [2,0,0,0,0,0|2,0,0]=4 1119 B3R0.2 O=P([O-])O MCULE-3773885400 [2,0,0,0,0,0|2,0,0]=4 1120 B3R0.2 O=P([O-])O MCULE-6745348516 [2,0,0,0,0,0|2,0,0]=4 1121 B3R0.2 O=S(=O)O MCULE-7070708516 [2,0,0,0,0,0|2,0,0]=4 1122 B3R0.2 O=S(O)O MCULE-3188569799 [2,0,0,0,0,0|2,0,0]=4 1123 B3R0.2 O=S(O)O MCULE-7812738469 [2,0,0,0,0,0|2,0,0]=4 1124 B3R0.2 O=[Se](O)O MCULE-9081277469 [2,0,0,0,0,0|2,0,0]=4 1125 B3R0.2 O=[Si](O)O MCULE-3228936275 [2,0,0,0,0,0|1,1,0]=4 1126 B5R0.1 C#CCC(=O)O MCULE-4680699666 [1,1,0,0,0,0|0,0,2]=4 1127 B5R0.1 C/C(=C/C#N)/N MCULE-2195544039 [1,1,0,0,0,0|1,0,1]=4 1128 B5R0.1 C/C(=C/CN)/Cl MCULE-1091573118 [1,1,0,0,0,0|2,0,0]=4 1129 B5R0.1 C/C(=C/CN)/Cl MCULE-8112023611 [1,1,0,0,0,0|2,0,0]=4 1130 B5R0.1 C/C=C/B(O)O MCULE-6649221952 [1,1,0,0,0,0|1,0,1]=4 1131 B5R0.1 C/C=C/C(=O)C MCULE-2109656516 [1,1,0,0,0,0|1,0,0]=3 1132 B5R0.1 C/C=C/C(=O)Cl MCULE-8378824386 [1,1,0,0,0,0|1,0,0]=3 1133 B5R0.1 C/C=C/C(=O)N MCULE-2532228624 [1,1,0,0,0,0|1,0,0]=3 1134 B5R0.1 C/C=C/C(=O)O MCULE-6937494852 [1,1,0,0,0,0|0,0,0]=2 1135 B5R0.1 C/C=C/C(C)O MCULE-3191147789 [1,1,0,0,0,0|1,0,1]=4 1136 B5R0.1 C/C=C\B(O)O MCULE-3000711987 [1,1,0,0,0,0|1,0,1]=4 1137 B5R0.1 C=C(Br)CCO MCULE-3743908958 [1,1,0,0,0,0|1,0,1]=4 1138 B5R0.1 C=C(Br)COC MCULE-5349428431 [1,1,0,0,0,0|1,0,1]=4 1139 B5R0.1 C=C(C)CCO MCULE-2689800711 [1,1,0,0,0,0|1,0,1]=4 1140 B5R0.1 C=C(C)CON MCULE-2773974323 [1,1,0,0,0,0|1,0,1]=4 1141 B5R0.1 C=C(C)CON MCULE-5978680243 [1,1,0,0,0,0|1,0,1]=4 1142 B5R0.1 C=CC=C(C)C MCULE-7590870659 [1,1,0,0,0,0|2,0,0]=4 1143 B5R0.1 C=CC=C(Cl)Cl MCULE-3787858961 [1,1,0,0,0,0|2,0,0]=4 1144 B5R0.1 C=CCB(O)O MCULE-2306600658 [1,1,0,0,0,0|1,0,1]=4 1145 B5R0.1 C=CCC(=C)C MCULE-6294070836 [1,1,0,0,0,0|2,0,0]=4 1146 B5R0.1 C=CCC(=N)N MCULE-6305125234 [1,1,0,0,0,0|2,0,0]=4 1147 B5R0.1 C=CCC(=O)Cl MCULE-6033189203 [1,1,0,0,0,0|1,0,0]=3 1148 B5R0.1 C=CCC(=O)N MCULE-1205335257 [1,1,0,0,0,0|1,0,0]=3 1149 B5R0.1 C=CCC(=O)O MCULE-6288979337 [1,1,0,0,0,0|0,0,0]=2 1150 B5R0.1 C=CCC(C)O MCULE-7724200334 [1,1,0,0,0,0|1,0,1]=4 1151 B5R0.1 C=CCC(C)O MCULE-9910771503 [1,1,0,0,0,0|1,0,1]=4 1152 B5R0.1 C=CC[C@@H](C)O MCULE-1663575568 [1,1,0,0,0,0|1,0,1]=4 1153 B5R0.1 C=CC[C@@H](C)O MCULE-3971480179 [1,1,0,0,0,0|1,0,1]=4 1154 B5R0.1 C=CC[C@H](C)O MCULE-5783959808 [1,1,0,0,0,0|1,0,1]=4 1155 B5R0.1 C=CC[C@H](C)O MCULE-6146696600 [1,1,0,0,0,0|1,0,1]=4 1156 B5R0.1 C=CNC(=O)C MCULE-1260296806 [1,1,0,0,0,0|1,0,0]=3 1157 B5R0.1 C=CNC(=O)N MCULE-4235216182 [1,1,0,0,0,0|1,0,0]=3 1158 B5R0.1 C=COC(=O)C MCULE-7626795765 [1,1,0,0,0,0|1,0,0]=3 1159 B5R0.1 C=COC(=O)Cl MCULE-9915729615 [1,1,0,0,0,0|1,0,0]=3 1160 B5R0.1 C=C[CH+]C(=O)[O-] MCULE-7935071431 [1,1,0,0,0,0|0,0,1]=3 1161 B5R0.1 C=NCC(=O)N MCULE-7609497329 [1,1,0,0,0,0|1,0,1]=4 1162 B5R0.1 CC#CC(=O)O MCULE-9994142213 [1,1,0,0,0,0|0,0,2]=4 1163 B5R0.1 CC(=CC#N)N MCULE-7342293837 [1,1,0,0,0,0|1,0,1]=4 1164 B5R0.1 CC(=CC=O)C MCULE-7002222435 [1,1,0,0,0,0|1,0,1]=4 1165 B5R0.1 CC(=CC=O)Cl MCULE-2279693190 [1,1,0,0,0,0|1,0,1]=4 1166 B5R0.1 CC(=CC=O)N MCULE-2659507627 [1,1,0,0,0,0|0,0,1]=3 1167 B5R0.1 CC(=CCN)C MCULE-7220252581 [1,1,0,0,0,0|2,0,0]=4 1168 B5R0.1 CC(=CCN)C MCULE-8394581250 [1,1,0,0,0,0|2,0,0]=4 1169 B5R0.1 CC(=CCN)Cl MCULE-1749173363 [1,1,0,0,0,0|2,0,0]=4 1170 B5R0.1 CC(=CCN)Cl MCULE-5722512850 [1,1,0,0,0,0|2,0,0]=4 1171 B5R0.1 CC(=CCO)C MCULE-3984123588 [1,1,0,0,0,0|1,0,1]=4 1172 B5R0.1 CC(=CCO)Cl MCULE-6459066496 [1,1,0,0,0,0|1,0,1]=4 1173 B5R0.1 CC(=CCO)I MCULE-4600854759 [1,1,0,0,0,0|1,0,1]=4 1174 B5R0.1 CC(=O)/C=N/O MCULE-5424156575 [1,1,0,0,0,0|1,0,1]=4 1175 B5R0.1 CC(=O)/C=N\O MCULE-9083768531 [1,1,0,0,0,0|1,0,1]=4 1176 B5R0.1 CC(=O)C=C=O MCULE-4335598177 [1,1,0,0,0,0|1,0,1]=4 1177 B5R0.1 CC(=O)C=NO MCULE-5513006918 [1,1,0,0,0,0|1,0,1]=4 1178 B5R0.1 CC(=O)CCN MCULE-7550348751 [1,1,0,0,0,0|1,0,1]=4 1179 B5R0.1 CC(=O)CCN MCULE-9519063810 [1,1,0,0,0,0|1,0,1]=4 1180 B5R0.1 CC=CB(O)O MCULE-7417903348 [1,1,0,0,0,0|1,0,1]=4 1181 B5R0.1 CC=CC(=O)C MCULE-4826977340 [1,1,0,0,0,0|1,0,0]=3 1182 B5R0.1 CC=CC(=O)Cl MCULE-2747622237 [1,1,0,0,0,0|1,0,0]=3 1183 B5R0.1 CC=CC(=O)N MCULE-9693879476 [1,1,0,0,0,0|1,0,0]=3 1184 B5R0.1 CC=CC(=O)O MCULE-7970410217 [1,1,0,0,0,0|0,0,0]=2 1185 B5R0.1 CC=CC(C)O MCULE-4806592836 [1,1,0,0,0,0|1,0,1]=4 1186 B5R0.1 CC=C[N+](=O)[O-] MCULE-2987135481 [1,1,0,0,0,0|1,0,1]=4 1187 B5R0.1 CCCC(=O)O MCULE-4116382006 [1,1,0,0,0,0|0,0,2]=4 1188 B5R0.1 CNCC(=O)C MCULE-3695443024 [1,1,0,0,0,0|1,0,1]=4 1189 B5R0.1 CNCC(=O)C MCULE-7402723072 [1,1,0,0,0,0|1,0,1]=4 1190 B5R0.1 CNCC(=O)N MCULE-2328887394 [1,1,0,0,0,0|1,0,1]=4 1191 B5R0.1 CNCC(=O)N MCULE-3031605853 [1,1,0,0,0,0|1,0,1]=4 1192 B5R0.1 CNCC(=O)N MCULE-7300977677 [1,1,0,0,0,0|1,0,1]=4 1193 B5R0.1 CNCC(=O)O MCULE-3448356048 [1,1,0,0,0,0|0,0,1]=3 1194 B5R0.1 CNCC(=O)O MCULE-4484444573 [1,1,0,0,0,0|0,0,1]=3 1195 B5R0.1 CNCC(=O)[O-] MCULE-7993701866 [1,1,0,0,0,0|0,0,2]=4 1196 B5R0.1 CNOC(=O)C MCULE-1464426541 [1,1,0,0,0,0|2,0,0]=4 1197 B5R0.1 CNOC(=O)C MCULE-2976282666 [1,1,0,0,0,0|2,0,0]=4 1198 B5R0.1 COC=C(C)C MCULE-6348538911 [1,1,0,0,0,0|1,0,1]=4 1199 B5R0.1 COCC(=N)N MCULE-4711728356 [1,1,0,0,0,0|1,0,1]=4 1200 B5R0.1 COCC(=N)N MCULE-7163250467 [1,1,0,0,0,0|1,0,1]=4 1201 B5R0.1 COCC(=O)N MCULE-6674958132 [1,1,0,0,0,0|1,0,1]=4 1202 B5R0.1 COCC(=O)O MCULE-3945589151 [1,1,0,0,0,0|0,0,2]=4 1203 B5R0.1 COCC(=S)N MCULE-2046809269 [1,1,0,0,0,0|1,0,1]=4 1204 B5R0.1 CONC(=O)N MCULE-3063713861 [1,1,0,0,0,0|2,0,0]=4 1205 B5R0.1 CSCC(=O)O MCULE-7003418159 [1,1,0,0,0,0|0,0,2]=4 1206 B5R0.1 N#CCC(=O)O MCULE-3440765061 [1,1,0,0,0,0|0,0,2]=4 1207 B5R0.1 N=C(N)CCO MCULE-4567824707 [1,1,0,0,0,0|1,0,1]=4 1208 B5R0.1 N=C(N)CCO MCULE-7139693715 [1,1,0,0,0,0|1,0,1]=4 1209 B5R0.1 N=C(N)NC=O MCULE-2702198735 [1,1,0,0,0,0|1,0,0]=3 1210 B5R0.1 NC(=O)C=CCl MCULE-3595468874 [1,1,0,0,0,0|1,0,0]=3 1211 B5R0.1 NC(=O)C=NO MCULE-6447662753 [1,1,0,0,0,0|1,0,0]=3 1212 B5R0.1 NC(=O)CCO MCULE-4026170350 [1,1,0,0,0,0|1,0,1]=4 1213 B5R0.1 NC(=O)NCO MCULE-7403641101 [1,1,0,0,0,0|1,0,1]=4 1214 B5R0.1 NC(=O)NN=O MCULE-2820469915 [1,1,0,0,0,0|2,0,0]=4 1215 B5R0.1 NCC=C(Cl)Cl MCULE-6555955942 [1,1,0,0,0,0|2,0,0]=4 1216 B5R0.1 NCC=C(Cl)Cl MCULE-9019653665 [1,1,0,0,0,0|2,0,0]=4 1217 B5R0.1 NCCC(=O)Cl MCULE-1298355499 [1,1,0,0,0,0|1,0,1]=4 1218 B5R0.1 NCCC(=O)N MCULE-2899414135 [1,1,0,0,0,0|1,0,1]=4 1219 B5R0.1 NCCC(=O)N MCULE-6993286668 [1,1,0,0,0,0|1,0,1]=4 1220 B5R0.1 NCCC(=O)O MCULE-1344289084 [1,1,0,0,0,0|0,0,1]=3 1221 B5R0.1 NCCC(=O)O MCULE-2298605337 [1,1,0,0,0,0|0,0,1]=3 1222 B5R0.1 NCCC(=O)O MCULE-9375577631 [1,1,0,0,0,0|0,0,1]=3 1223 B5R0.1 NCCC(=O)[O-] MCULE-2492250086 [1,1,0,0,0,0|0,0,2]=4 1224 B5R0.1 NCCP(=O)O MCULE-7093964616 [1,1,0,0,0,0|1,0,1]=4 1225 B5R0.1 NCCS(=O)O MCULE-4372248641 [1,1,0,0,0,0|1,0,1]=4 1226 B5R0.1 NNCC(=O)N MCULE-2794619708 [1,1,0,0,0,0|1,0,1]=4 1227 B5R0.1 NNCC(=O)N MCULE-6773156087 [1,1,0,0,0,0|1,0,1]=4 1228 B5R0.1 NNCC(=O)O MCULE-4908184724 [1,1,0,0,0,0|0,0,1]=3 1229 B5R0.1 NNCC(=O)O MCULE-6315598774 [1,1,0,0,0,0|0,0,1]=3 1230 B5R0.1 NOCC(=O)O MCULE-4566186819 [1,1,0,0,0,0|0,0,1]=3 1231 B5R0.1 NOCC(=O)O MCULE-4824237418 [1,1,0,0,0,0|0,0,1]=3 1232 B5R0.1 NOCC(=O)O MCULE-8132180423 [1,1,0,0,0,0|0,0,1]=3 1233 B5R0.1 O=C(Cl)C=CCl MCULE-7984379237 [1,1,0,0,0,0|1,0,0]=3 1234 B5R0.1 O=C(O)/C=C/Br MCULE-7284519266 [1,1,0,0,0,0|0,0,0]=2 1235 B5R0.1 O=C(O)/C=C/Cl MCULE-1625781671 [1,1,0,0,0,0|0,0,0]=2 1236 B5R0.1 O=C(O)/C=C/I MCULE-3339607379 [1,1,0,0,0,0|0,0,0]=2 1237 B5R0.1 O=C(O)/C=C\Br MCULE-6149049313 [1,1,0,0,0,0|0,0,0]=2 1238 B5R0.1 O=C(O)/C=C\Cl MCULE-1221996674 [1,1,0,0,0,0|0,0,0]=2 1239 B5R0.1 O=C(O)/C=C\I MCULE-3065405012 [1,1,0,0,0,0|0,0,0]=2 1240 B5R0.1 O=C(O)/C=N/O MCULE-2471349844 [1,1,0,0,0,0|0,0,1]=3 1241 B5R0.1 O=C(O)C#CBr MCULE-1997285471 [1,1,0,0,0,0|0,0,2]=4 1242 B5R0.1 O=C(O)C=CBr MCULE-2956464856 [1,1,0,0,0,0|0,0,0]=2 1243 B5R0.1 O=C(O)C=CCl MCULE-6369812151 [1,1,0,0,0,0|0,0,0]=2 1244 B5R0.1 O=C(O)C=CI MCULE-7162332129 [1,1,0,0,0,0|0,0,0]=2 1245 B5R0.1 O=C(O)C=NO MCULE-2039309679 [1,1,0,0,0,0|0,0,1]=3 1246 B5R0.1 O=C(O)CCBr MCULE-2816055853 [1,1,0,0,0,0|0,0,2]=4 1247 B5R0.1 O=C(O)CCCl MCULE-8511144183 [1,1,0,0,0,0|0,0,2]=4 1248 B5R0.1 O=C(O)CCF MCULE-4382025684 [1,1,0,0,0,0|0,0,2]=4 1249 B5R0.1 O=C(O)CCI MCULE-3371354708 [1,1,0,0,0,0|0,0,2]=4 1250 B5R0.1 O=C(O)CCO MCULE-3428604829 [1,1,0,0,0,0|0,0,2]=4 1251 B5R0.1 O=C(O)CCS MCULE-3211932163 [1,1,0,0,0,0|0,0,2]=4 1252 B5R0.1 O=C(O)CNO MCULE-4437067339 [1,1,0,0,0,0|0,0,1]=3 1253 B5R0.1 O=C([O-])C=CCl MCULE-4750072789 [1,1,0,0,0,0|0,0,1]=3 1254 B5R0.1 OCC=C(Cl)Cl MCULE-6473037027 [1,1,0,0,0,0|2,0,0]=4 1255 B5R0.1 P(=O)(O)C=C=C MCULE-4922910477 [1,1,0,0,0,0|1,0,0]=3 1256 B5R0.3 C#CC(=O)OC MCULE-5108326717 [1,1,0,0,0,0|0,0,2]=4 1257 B5R0.3 C#CC(O)C=C MCULE-5849420618 [1,1,0,0,0,0|1,0,1]=4 1258 B5R0.3 C/C(=C\N)/C=O MCULE-4713460468 [1,1,0,0,0,0|0,0,1]=3 1259 B5R0.3 C/C=C(\C)/C=O MCULE-2818872726 [1,1,0,0,0,0|1,0,0]=3 1260 B5R0.3 C=C(C#N)CO MCULE-4330549804 [1,1,0,0,0,0|0,0,2]=4 1261 B5R0.3 C=C(C=O)CC MCULE-2875154067 [1,1,0,0,0,0|1,0,0]=3 1262 B5R0.3 C=C(CC)CN MCULE-2269385026 [1,1,0,0,0,0|1,0,1]=4 1263 B5R0.3 C=C(CC)CN MCULE-3033447984 [1,1,0,0,0,0|1,0,1]=4 1264 B5R0.3 C=C(CC)CO MCULE-8127766352 [1,1,0,0,0,0|1,0,1]=4 1265 B5R0.3 C=C(CN)CN MCULE-5063132725 [1,1,0,0,0,0|1,0,1]=4 1266 B5R0.3 C=C(CO)CBr MCULE-9563589949 [1,1,0,0,0,0|1,0,1]=4 1267 B5R0.3 C=C(CO)CO MCULE-2682601949 [1,1,0,0,0,0|1,0,1]=4 1268 B5R0.3 C=C/C(=C/C)/C MCULE-6445909882 [1,1,0,0,0,0|2,0,0]=4 1269 B5R0.3 C=CC(=CC)C MCULE-8585683674 [1,1,0,0,0,0|2,0,0]=4 1270 B5R0.3 C=CC(=O)C=C MCULE-8555160354 [1,1,0,0,0,0|1,0,0]=3 1271 B5R0.3 C=CC(=O)CC MCULE-7277696617 [1,1,0,0,0,0|1,0,0]=3 1272 B5R0.3 C=CC(=O)NC MCULE-5619481947 [1,1,0,0,0,0|1,0,0]=3 1273 B5R0.3 C=CC(=O)NN MCULE-4327484127 [1,1,0,0,0,0|1,0,0]=3 1274 B5R0.3 C=CC(=O)NN MCULE-4961696321 [1,1,0,0,0,0|1,0,0]=3 1275 B5R0.3 C=CC(=O)NO MCULE-9528737042 [1,1,0,0,0,0|0,0,0]=2 1276 B5R0.3 C=CC(=O)OC MCULE-6010665978 [1,1,0,0,0,0|0,0,0]=2 1277 B5R0.3 C=CC(C)ON MCULE-2385478473 [1,1,0,0,0,0|1,0,1]=4 1278 B5R0.3 C=CC(C)ON MCULE-3428023923 [1,1,0,0,0,0|1,0,1]=4 1279 B5R0.3 C=CC(N)CO MCULE-2457433196 [1,1,0,0,0,0|0,0,2]=4 1280 B5R0.3 C=CC(N)CO MCULE-6697949182 [1,1,0,0,0,0|0,0,2]=4 1281 B5R0.3 C=CC(N)CO MCULE-7137123222 [1,1,0,0,0,0|0,0,2]=4 1282 B5R0.3 C=CC(N)CO MCULE-8388687355 [1,1,0,0,0,0|0,0,2]=4 1283 B5R0.3 C=CC(O)C#N MCULE-2341615846 [1,1,0,0,0,0|1,0,1]=4 1284 B5R0.3 C=CC(O)C=C MCULE-7283842025 [1,1,0,0,0,0|1,0,1]=4 1285 B5R0.3 C=CC(O)CBr MCULE-3538023814 [1,1,0,0,0,0|1,0,1]=4 1286 B5R0.3 C=CC(O)CC MCULE-2794806228 [1,1,0,0,0,0|1,0,1]=4 1287 B5R0.3 C=CC(O)CN MCULE-3472823475 [1,1,0,0,0,0|1,0,1]=4 1288 B5R0.3 C=CC(O)CO MCULE-6172654550 [1,1,0,0,0,0|0,0,2]=4 1289 B5R0.3 C=CS(=O)C=C MCULE-5650907653 [1,1,0,0,0,0|2,0,0]=4 1290 B5R0.3 C=C[C@@H](N)CO MCULE-1000343618 [1,1,0,0,0,0|0,0,2]=4 1291 B5R0.3 C=C[C@@H](N)CO MCULE-1074988940 [1,1,0,0,0,0|0,0,2]=4 1292 B5R0.3 C=C[C@@H](N)CO MCULE-3685491078 [1,1,0,0,0,0|0,0,2]=4 1293 B5R0.3 C=C[C@@H](N)CO MCULE-4969611575 [1,1,0,0,0,0|0,0,2]=4 1294 B5R0.3 C=C[C@@H](O)CO MCULE-5957455616 [1,1,0,0,0,0|0,0,2]=4 1295 B5R0.3 C=C[C@H](N)CO MCULE-2834725512 [1,1,0,0,0,0|0,0,2]=4 1296 B5R0.3 C=C[C@H](N)CO MCULE-3281738311 [1,1,0,0,0,0|0,0,2]=4 1297 B5R0.3 C=C[C@H](N)CO MCULE-3551585090 [1,1,0,0,0,0|0,0,2]=4 1298 B5R0.3 C=C[C@H](N)CO MCULE-9055556349 [1,1,0,0,0,0|0,0,2]=4 1299 B5R0.3 C=C[C@H](O)CO MCULE-6068203844 [1,1,0,0,0,0|0,0,2]=4 1300 B5R0.3 C=C[C@H](O)CO MCULE-9367072182 [1,1,0,0,0,0|0,0,2]=4 1301 B5R0.3 CC(=CI)CO MCULE-8491569199 [1,1,0,0,0,0|1,0,1]=4 1302 B5R0.3 CC(=CN)C=O MCULE-5507488903 [1,1,0,0,0,0|0,0,1]=3 1303 B5R0.3 CC/C(=N/O)/N MCULE-2794748611 [1,1,0,0,0,0|1,0,1]=4 1304 B5R0.3 CC/C(=N/O)/N MCULE-7162577220 [1,1,0,0,0,0|1,0,1]=4 1305 B5R0.3 CC=C(Br)C=O MCULE-4703333701 [1,1,0,0,0,0|1,0,0]=3 1306 B5R0.3 CC=C(C)C=O MCULE-9453566957 [1,1,0,0,0,0|1,0,0]=3 1307 B5R0.3 CCC(=O)CN MCULE-1863418812 [1,1,0,0,0,0|1,0,1]=4 1308 B5R0.3 CCC(=O)CN MCULE-5831164340 [1,1,0,0,0,0|1,0,1]=4 1309 B5R0.3 CCC(=O)CO MCULE-8674894820 [1,1,0,0,0,0|0,0,2]=4 1310 B5R0.3 CCC(=O)NN MCULE-1803705917 [1,1,0,0,0,0|2,0,0]=4 1311 B5R0.3 CCC(=O)NO MCULE-1033164448 [1,1,0,0,0,0|0,0,2]=4 1312 B5R0.3 CCC(=O)OC MCULE-7384824725 [1,1,0,0,0,0|0,0,2]=4 1313 B5R0.3 CN(C=O)C=O MCULE-7774435044 [1,1,0,0,0,0|2,0,0]=4 1314 B5R0.3 CNC(=N)CO MCULE-3239749882 [1,1,0,0,0,0|1,0,1]=4 1315 B5R0.3 CNC(=O)CN MCULE-1901033297 [1,1,0,0,0,0|1,0,1]=4 1316 B5R0.3 CNC(=O)CN MCULE-8532774234 [1,1,0,0,0,0|1,0,1]=4 1317 B5R0.3 CNC(=O)CO MCULE-5899226107 [1,1,0,0,0,0|1,0,1]=4 1318 B5R0.3 CNC(=O)NN MCULE-2093843774 [1,1,0,0,0,0|2,0,0]=4 1319 B5R0.3 CNC(=O)OC MCULE-1162861376 [1,1,0,0,0,0|1,0,1]=4 1320 B5R0.3 COC(=O)C#N MCULE-8762838190 [1,1,0,0,0,0|0,0,2]=4 1321 B5R0.3 COC(=O)C=O MCULE-2685327079 [1,1,0,0,0,0|1,0,0]=3 1322 B5R0.3 COC(=O)CBr MCULE-2684954408 [1,1,0,0,0,0|1,0,1]=4 1323 B5R0.3 COC(=O)CCl MCULE-5886832940 [1,1,0,0,0,0|1,0,1]=4 1324 B5R0.3 COC(=O)CF MCULE-4367430175 [1,1,0,0,0,0|1,0,1]=4 1325 B5R0.3 COC(=O)CI MCULE-9545584156 [1,1,0,0,0,0|1,0,1]=4 1326 B5R0.3 COC(=O)CN MCULE-7462799100 [1,1,0,0,0,0|0,0,1]=3 1327 B5R0.3 COC(=O)CN MCULE-8887061469 [1,1,0,0,0,0|0,0,1]=3 1328 B5R0.3 COC(=O)CO MCULE-8734582763 [1,1,0,0,0,0|1,0,1]=4 1329 B5R0.3 COC(=O)CS MCULE-3020830180 [1,1,0,0,0,0|1,0,1]=4 1330 B5R0.3 COC(=O)NN MCULE-2637794839 [1,1,0,0,0,0|1,0,0]=3 1331 B5R0.3 COC(=O)OC MCULE-7488725621 [1,1,0,0,0,0|1,0,1]=4 1332 B5R0.3 COC(=O)SCl MCULE-1018411491 [1,1,0,0,0,0|2,0,0]=4 1333 B5R0.3 COC(=S)NN MCULE-8717505617 [1,1,0,0,0,0|1,1,0]=4 1334 B5R0.3 N/C(=N/O)/CF MCULE-8149459701 [1,1,0,0,0,0|1,0,1]=4 1335 B5R0.3 N/C(=N/O)/CO MCULE-1684161600 [1,1,0,0,0,0|1,0,1]=4 1336 B5R0.3 N/C(=N\O)/CCl MCULE-4486676288 [1,1,0,0,0,0|1,0,1]=4 1337 B5R0.3 N=C(NN)NO MCULE-6419110297 [1,1,0,0,0,0|2,0,0]=4 1338 B5R0.3 NCC(=O)CN MCULE-2420991481 [1,1,0,0,0,0|1,0,1]=4 1339 B5R0.3 NCC(=O)CN MCULE-8626789745 [1,1,0,0,0,0|1,0,1]=4 1340 B5R0.3 NCC(=O)NN MCULE-2318099199 [1,1,0,0,0,0|1,0,1]=4 1341 B5R0.3 NCC(=O)NN MCULE-3392354502 [1,1,0,0,0,0|1,0,1]=4 1342 B5R0.3 NCC(=O)NO MCULE-5417617455 [1,1,0,0,0,0|0,0,1]=3 1343 B5R0.3 NNC(=O)CCl MCULE-2158347473 [1,1,0,0,0,0|2,0,0]=4 1344 B5R0.3 NNC(=O)CCl MCULE-9762553206 [1,1,0,0,0,0|2,0,0]=4 1345 B5R0.3 NNC(=O)CO MCULE-8443636349 [1,1,0,0,0,0|1,0,0]=3 1346 B5R0.3 NNC(=O)CS MCULE-4913925166 [1,1,0,0,0,0|1,1,0]=4 1347 B5R0.3 NNC(=O)NN MCULE-8522412568 [1,1,0,0,0,0|2,0,0]=4 1348 B5R0.3 NNC(=O)NO MCULE-7106168898 [1,1,0,0,0,0|1,0,0]=3 1349 B5R0.3 O=C(CO)CO MCULE-7188810449 [1,1,0,0,0,0|1,0,1]=4 1350 B5R0.3 O=CC(=CO)Br MCULE-8777401868 [1,1,0,0,0,0|1,0,0]=3 1351 B5R0.3 O=CC(=C[O-])F MCULE-8068241665 [1,1,0,0,0,0|1,0,0]=3 1352 B5R0.3 O=CC(=C[O-])F MCULE-9099292239 [1,1,0,0,0,0|1,0,0]=3 1353 B5R0.3 O=CC(=O)CO MCULE-7273475675 [1,1,0,0,0,0|1,0,0]=3 1354 B5R0.3 O=CC(Br)C=O MCULE-4387864308 [1,1,0,0,0,0|1,0,1]=4 1355 B5R0.3 O=CC(Cl)C=O MCULE-4927811862 [1,1,0,0,0,0|1,0,1]=4 1356 B5R0.4 C=CC(C)(C)O MCULE-5809739830 [1,1,0,0,0,0|1,0,1]=4 1357 B5R0.4 C=CP(=O)(O)O MCULE-3783505051 [1,1,0,0,0,0|1,0,0]=3 1358 B5R0.4 C=CS(=O)(=O)C MCULE-9709633620 [1,1,0,0,0,0|1,0,1]=4 1359 B5R0.4 C=CS(=O)(=O)Cl MCULE-9752322572 [1,1,0,0,0,0|1,0,1]=4 1360 B5R0.4 C=CS(=O)(=O)F MCULE-6614982622 [1,1,0,0,0,0|1,0,1]=4 1361 B5R0.4 C=CS(=O)(=O)N MCULE-7350624756 [1,1,0,0,0,0|1,0,1]=4 1362 B5R0.4 C=CS(=O)(=O)O MCULE-2196938026 [1,1,0,0,0,0|1,0,0]=3 1363 B5R0.4 C=CS(=O)(=O)[O-] MCULE-8568044801 [1,1,0,0,0,0|1,0,1]=4 1364 B5R0.4 NCP(=O)(O)O MCULE-5036947233 [1,1,0,0,0,0|1,0,1]=4 1365 B5R0.4 NCS(=O)(=O)O MCULE-2178285528 [1,1,0,0,0,0|1,0,1]=4 1366 B5R0.4 NOS(=O)(=O)O MCULE-4655259886 [1,1,0,0,0,0|2,0,0]=4 1367 B7R0.2 C(O)(CN)CC(=O)O MCULE-8378388788 [0,1,0,0,0,1|1,0,1]=4 1368 B7R0.2 C=C(C#N)OC(=O)C MCULE-8738842712 [0,1,0,0,0,1|1,0,1]=4 1369 B7R0.2 C=CC(=O)NC(=O)N MCULE-8826369233 [0,1,0,0,0,1|2,0,0]=4 1370 B7R0.2 C=CC(C)CC(=O)O MCULE-4817084034 [0,1,0,0,0,1|1,0,1]=4 1371 B7R0.2 C=CC(N)CC(=O)O MCULE-1733618438 [0,1,0,0,0,1|0,0,1]=3 1372 B7R0.2 C=CC(N)CC(=O)O MCULE-9636299966 [0,1,0,0,0,1|0,0,1]=3 1373 B7R0.2 C=CC(O)CC(=O)O MCULE-2383393271 [0,1,0,0,0,1|1,0,1]=4 1374 B7R0.2 CC(=CC(=O)O)C=O MCULE-7652207149 [0,1,0,0,0,1|1,0,0]=3 1375 B7R0.2 CC(CC(=O)O)NN MCULE-2614719429 [0,1,0,0,0,1|0,0,2]=4 1376 B7R0.2 CC(CC(=O)O)NN MCULE-2739806820 [0,1,0,0,0,1|0,0,2]=4 1377 B7R0.2 CC(CN)CC(=O)O MCULE-1594242184 [0,1,0,0,0,1|0,0,2]=4 1378 B7R0.2 CC(CN)CC(=O)O MCULE-8074816359 [0,1,0,0,0,1|0,0,2]=4 1379 B7R0.2 CCC(=CC(=O)O)C MCULE-3864767099 [0,1,0,0,0,1|1,0,1]=4 1380 B7R0.2 CCC(=O)CC(=O)O MCULE-1083768149 [0,1,0,0,0,1|1,0,1]=4 1381 B7R0.2 CCC(=O)NC(=S)N MCULE-7487842736 [0,1,0,0,0,1|2,0,0]=4 1382 B7R0.2 CCC(N)CC(=O)O MCULE-1744910444 [0,1,0,0,0,1|0,0,2]=4 1383 B7R0.2 CCC(N)CC(=O)O MCULE-5610499925 [0,1,0,0,0,1|0,0,2]=4 1384 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-1158271004 [0,1,0,0,0,1|0,0,2]=4 1385 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-2354820947 [0,1,0,0,0,1|0,0,2]=4 1386 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-4284161835 [0,1,0,0,0,1|0,0,2]=4 1387 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-9523089766 [0,1,0,0,0,1|0,0,2]=4 1388 B7R0.2 CC[C@H](N)CC(=O)O MCULE-1463536674 [0,1,0,0,0,1|0,0,2]=4 1389 B7R0.2 CC[C@H](N)CC(=O)O MCULE-2865599647 [0,1,0,0,0,1|0,0,2]=4 1390 B7R0.2 CC[C@H](N)CC(=O)O MCULE-4506847599 [0,1,0,0,0,1|0,0,2]=4 1391 B7R0.2 CC[C@H](N)CC(=O)O MCULE-4819674539 [0,1,0,0,0,1|0,0,2]=4 1392 B7R0.2 CN(C=O)CC(=O)O MCULE-2679649056 [0,1,0,0,0,1|2,0,0]=4 1393 B7R0.2 CNC(=CC(=O)C)C MCULE-1943688292 [0,1,0,0,0,1|1,0,1]=4 1394 B7R0.2 CNC(=O)CC(=N)N MCULE-4798896062 [0,1,0,0,0,1|2,0,0]=4 1395 B7R0.2 CNC(=O)CC(=N)N MCULE-6994336455 [0,1,0,0,0,1|2,0,0]=4 1396 B7R0.2 CNC(=O)CC(=O)C MCULE-4316009681 [0,1,0,0,0,1|2,0,0]=4 1397 B7R0.2 CNC(=O)CC(=O)O MCULE-3506871336 [0,1,0,0,0,1|1,0,0]=3 1398 B7R0.2 CNC(=O)CC(=S)N MCULE-1637389152 [0,1,0,0,0,1|2,0,0]=4 1399 B7R0.2 CNC(=O)NC(=O)C MCULE-9100713966 [0,1,0,0,0,1|2,0,0]=4 1400 B7R0.2 CNC(=O)NC(=O)N MCULE-8107942434 [0,1,0,0,0,1|2,0,0]=4 1401 B7R0.2 CNC(C)CC(=O)O MCULE-6592893730 [0,1,0,0,0,1|0,0,2]=4 1402 B7R0.2 CNC(C)CC(=O)O MCULE-7655437452 [0,1,0,0,0,1|0,0,2]=4 1403 B7R0.2 CO/C(=C/C(=O)O)/C MCULE-5031076713 [0,1,0,0,0,1|1,0,1]=4 1404 B7R0.2 COC(=CC(=O)O)C MCULE-2215306459 [0,1,0,0,0,1|1,0,1]=4 1405 B7R0.2 COC(=O)/C=C(/C)\N MCULE-2378404457 [0,1,0,0,0,1|0,0,1]=3 1406 B7R0.2 COC(=O)/C=C(\C)/N MCULE-7223502425 [0,1,0,0,0,1|0,0,1]=3 1407 B7R0.2 COC(=O)C=C(C)C MCULE-9357284649 [0,1,0,0,0,1|1,0,1]=4 1408 B7R0.2 COC(=O)C=C(C)N MCULE-8452012306 [0,1,0,0,0,1|0,0,1]=3 1409 B7R0.2 COC(=O)C=C(C)[O-] MCULE-2706789496 [0,1,0,0,0,1|1,0,1]=4 1410 B7R0.2 COC(=O)C=C(C)[O-] MCULE-4482386969 [0,1,0,0,0,1|1,0,1]=4 1411 B7R0.2 COC(=O)CC(=N)N MCULE-3622266378 [0,1,0,0,0,1|1,0,0]=3 1412 B7R0.2 COC(=O)CC(=N)N MCULE-8717458518 [0,1,0,0,0,1|1,0,0]=3 1413 B7R0.2 COC(=O)CC(=O)C MCULE-1265364784 [0,1,0,0,0,1|1,0,1]=4 1414 B7R0.2 COC(=O)CC(=O)Cl MCULE-5016603273 [0,1,0,0,0,1|2,0,0]=4 1415 B7R0.2 COC(=O)CC(=O)N MCULE-7129379910 [0,1,0,0,0,1|1,0,0]=3 1416 B7R0.2 COC(=O)CC(=O)O MCULE-7983457925 [0,1,0,0,0,1|1,0,1]=4 1417 B7R0.2 COC(=O)CC(=O)[O-] MCULE-4316322156 [0,1,0,0,0,1|2,0,0]=4 1418 B7R0.2 COC(=O)CC(=S)N MCULE-3325362226 [0,1,0,0,0,1|1,0,0]=3 1419 B7R0.2 COC(=O)CC(C)N MCULE-2402304310 [0,1,0,0,0,1|0,0,2]=4 1420 B7R0.2 COC(=O)CC(C)N MCULE-3520358398 [0,1,0,0,0,1|0,0,2]=4 1421 B7R0.2 COC(=O)CC(C)N MCULE-4044567169 [0,1,0,0,0,1|0,0,2]=4 1422 B7R0.2 COC(=O)CC(C)N MCULE-5962991844 [0,1,0,0,0,1|0,0,2]=4 1423 B7R0.2 COC(=O)C[C@@H](C)N MCULE-1483636974 [0,1,0,0,0,1|0,0,2]=4 1424 B7R0.2 COC(=O)C[C@@H](C)N MCULE-4260923997 [0,1,0,0,0,1|0,0,2]=4 1425 B7R0.2 COC(=O)C[C@@H](C)N MCULE-6569883717 [0,1,0,0,0,1|0,0,2]=4 1426 B7R0.2 COC(=O)C[C@@H](C)N MCULE-9853158708 [0,1,0,0,0,1|0,0,2]=4 1427 B7R0.2 COC(=O)C[C@H](C)N MCULE-1385999778 [0,1,0,0,0,1|0,0,2]=4 1428 B7R0.2 COC(=O)C[C@H](C)N MCULE-1446150641 [0,1,0,0,0,1|0,0,2]=4 1429 B7R0.2 COC(=O)C[C@H](C)N MCULE-2979603570 [0,1,0,0,0,1|0,0,2]=4 1430 B7R0.2 COC(=O)C[C@H](C)N MCULE-7679126750 [0,1,0,0,0,1|0,0,2]=4 1431 B7R0.2 C[C@H](CN)CC(=O)O MCULE-4808630217 [0,1,0,0,0,1|0,0,2]=4 1432 B7R0.2 C[C@H](CN)CC(=O)O MCULE-5474405940 [0,1,0,0,0,1|0,0,2]=4 1433 B7R0.2 N/C(=N/O)/CC(=O)O MCULE-5236282846 [0,1,0,0,0,1|1,0,0]=3 1434 B7R0.2 N=C(N)NC(=O)CO MCULE-1435627041 [0,1,0,0,0,1|1,0,0]=3 1435 B7R0.2 NC(=O)C/C(=N\O)/N MCULE-7090967368 [0,1,0,0,0,1|2,0,0]=4 1436 B7R0.2 NC(=O)NC(=O)CBr MCULE-4561848957 [0,1,0,0,0,1|2,0,0]=4 1437 B7R0.2 NC(=O)NC(=O)CCl MCULE-6047100495 [0,1,0,0,0,1|2,0,0]=4 1438 B7R0.2 NC(CO)CC(=O)O MCULE-4749383822 [0,1,0,0,0,1|0,0,2]=4 1439 B7R0.2 NC(CO)CC(=O)O MCULE-7973334774 [0,1,0,0,0,1|0,0,2]=4 1440 B7R0.2 NC(CO)CC(=O)O MCULE-8406665261 [0,1,0,0,0,1|0,0,2]=4 1441 B7R0.2 NCC(N)CC(=O)O MCULE-5523883615 [0,1,0,0,0,1|0,0,2]=4 1442 B7R0.2 NCC(N)CC(=O)O MCULE-7594259237 [0,1,0,0,0,1|0,0,2]=4 1443 B7R0.2 NCC(O)CC(=O)O MCULE-9221352157 [0,1,0,0,0,1|1,0,1]=4 1444 B7R0.2 NC[C@@H](N)CC(=O)O MCULE-6348974465 [0,1,0,0,0,1|0,0,2]=4 1445 B7R0.2 NC[C@@H](N)CC(=O)O MCULE-9397628218 [0,1,0,0,0,1|0,0,2]=4 1446 B7R0.2 NC[C@@H](O)CC(=O)O MCULE-2174350055 [0,1,0,0,0,1|1,0,1]=4 1447 B7R0.2 NC[C@@H](O)CC(=O)O MCULE-8177708130 [0,1,0,0,0,1|1,0,1]=4 1448 B7R0.2 NC[C@H](N)CC(=O)O MCULE-6133569516 [0,1,0,0,0,1|0,0,2]=4 1449 B7R0.2 NC[C@H](N)CC(=O)O MCULE-7098533469 [0,1,0,0,0,1|0,0,2]=4 1450 B7R0.2 NC[C@H](O)CC(=O)O MCULE-6634973995 [0,1,0,0,0,1|1,0,1]=4 1451 B7R0.2 NC[C@H](O)CC(=O)O MCULE-8055679819 [0,1,0,0,0,1|1,0,1]=4 1452 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-1773927420 [0,1,0,0,0,1|0,0,2]=4 1453 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-2797951743 [0,1,0,0,0,1|0,0,2]=4 1454 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-3839766977 [0,1,0,0,0,1|0,0,2]=4 1455 B7R0.2 N[C@H](CO)CC(=O)O MCULE-4130106630 [0,1,0,0,0,1|0,0,2]=4 1456 B7R0.2 O=C(O)CC(=O)CCl MCULE-9671015150 [0,1,0,0,0,1|1,0,1]=4 1457 B7R0.2 O=C(O)CC(=O)CO MCULE-2224143705 [0,1,0,0,0,1|1,0,1]=4 1458 B7R0.2 O=CN(O)CC(=O)O MCULE-7408790227 [0,1,0,0,0,1|2,0,0]=4 1459 B7R0.9 C=C(C)CS(=O)(=O)O MCULE-9682032193 [0,1,0,0,0,1|2,0,0]=4 1460 B7R0.9 CC(C)(N)CC(=O)O MCULE-1798345695 [0,1,0,0,0,1|0,0,2]=4 1461 B7R0.9 CC(C)(N)CC(=O)O MCULE-4385513857 [0,1,0,0,0,1|0,0,2]=4 1462 B7R0.9 CC(C)(N)CC(=O)O MCULE-7160776320 [0,1,0,0,0,1|0,0,2]=4 1463 B7R0.9 NC(=O)OP(=O)(O)O MCULE-8071699770 [0,1,0,0,0,1|2,0,0]=4 1464 B7R0.9 NS(=O)(=O)CC(=O)O MCULE-1039009855 [0,1,0,0,0,1|2,0,0]=4 1465 B7R0.16 C=C(C(=O)O)C(=O)O MCULE-7540749901 [0,1,0,0,0,1|2,0,0]=4 1466 B7R0.16 C=C(C)C(C)C(=O)C MCULE-2480790812 [0,1,0,0,0,1|2,0,0]=4 1467 B7R0.16 C=C(C)C(N)C(=O)O MCULE-1815568719 [0,1,0,0,0,1|1,0,0]=3 1468 B7R0.16 C=C(C)C(N)C(=O)O MCULE-2839869274 [0,1,0,0,0,1|1,0,0]=3 1469 B7R0.16 C=C(C)C(N)C(=O)O MCULE-5015326828 [0,1,0,0,0,1|1,0,0]=3 1470 B7R0.16 C=C(C)C(N)C(=O)O MCULE-5043630144 [0,1,0,0,0,1|1,0,0]=3 1471 B7R0.16 C=C(C)[C@@H](N)C(=C)O MCULE-5278584348 [0,1,0,0,0,1|2,0,0]=4 1472 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-2007035571 [0,1,0,0,0,1|1,0,0]=3 1473 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-6240689602 [0,1,0,0,0,1|1,0,0]=3 1474 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-8025014656 [0,1,0,0,0,1|1,0,0]=3 1475 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-9704891439 [0,1,0,0,0,1|1,0,0]=3 1476 B7R0.16 CC(=C(Br)C(=O)O)C MCULE-8944482091 [0,1,0,0,0,1|1,0,1]=4 1477 B7R0.16 CC(=C(C)C(=O)O)Br MCULE-9431818570 [0,1,0,0,0,1|1,0,1]=4 1478 B7R0.16 CC(=C(C)C(=O)O)C MCULE-1062537992 [0,1,0,0,0,1|1,0,1]=4 1479 B7R0.16 CC(=C(Cl)C(=O)O)C MCULE-9408683615 [0,1,0,0,0,1|1,0,1]=4 1480 B7R0.16 CC(=C(F)C(=O)O)C MCULE-9025515032 [0,1,0,0,0,1|1,0,1]=4 1481 B7R0.16 CC(C(=O)N)C(=O)N MCULE-4912037399 [0,1,0,0,0,1|2,0,0]=4 1482 B7R0.16 CC(C(=O)O)C(=O)O MCULE-7232226851 [0,1,0,0,0,1|2,0,0]=4 1483 B7R0.16 CC(C(=O)O)N(C)N MCULE-1182323460 [0,1,0,0,0,1|1,0,1]=4 1484 B7R0.16 CC(N)C(C)C(=O)O MCULE-2921617741 [0,1,0,0,0,1|0,0,2]=4 1485 B7R0.16 CC(N)C(C)C(=O)O MCULE-8511267926 [0,1,0,0,0,1|0,0,2]=4 1486 B7R0.16 CC(N)C(O)C(=O)O MCULE-1086139043 [0,1,0,0,0,1|0,0,2]=4 1487 B7R0.16 CC(N)C(O)C(=O)O MCULE-6405300346 [0,1,0,0,0,1|0,0,2]=4 1488 B7R0.16 C[C@@H](N)[C@@H](N)C(=O)O MCULE-5302456851 [0,1,0,0,0,1|0,0,2]=4 1489 B7R0.16 C[C@H](C(=O)O)[C@@H](C)N MCULE-2245171795 [0,1,0,0,0,1|0,0,2]=4 1490 B7R0.16 C[C@H](C(=O)O)[C@@H](C)N MCULE-2727261050 [0,1,0,0,0,1|0,0,2]=4 1491 B7R0.16 C[C@H](N)[C@@H](N)C(=O)O MCULE-9507122128 [0,1,0,0,0,1|0,0,2]=4 1492 B7R0.16 C[C@H](N)[C@@H](O)C(=O)O MCULE-2574349608 [0,1,0,0,0,1|0,0,2]=4 1493 B7R0.16 C[C@H](N)[C@@H](O)C(=O)O MCULE-6297204649 [0,1,0,0,0,1|0,0,2]=4 1494 B7R0.16 C[C@H](N)[C@H](N)C(=O)O MCULE-3178389621 [0,1,0,0,0,1|0,0,2]=4 1495 B7R0.16 NC(=O)C(Br)C(=O)N MCULE-7519162871 [0,1,0,0,0,1|2,0,0]=4 1496 B7R0.16 NC(=O)C(N)C(=O)N MCULE-5338329205 [0,1,0,0,0,1|2,0,0]=4 1497 B7R0.16 NC(C(=O)O)C(=O)O MCULE-6118746267 [0,1,0,0,0,1|2,0,0]=4 1498 B7R0.16 O=C(O)C(=C(Cl)Cl)Cl MCULE-4004262160 [0,1,0,0,0,1|2,0,0]=4 1499 B7R0.16 O=C(O)C(=O)C(=O)O MCULE-9031084199 [0,1,0,0,0,1|2,0,0]=4 1500 B7R0.16 O=C(O)C(Cl)C(=O)O MCULE-9776364495 [0,1,0,0,0,1|2,0,0]=4 1501 B7R0.16 O=C(O)C(F)C(=O)O MCULE-9969055570 [0,1,0,0,0,1|2,0,0]=4 1502 B7R0.16 O=C(O)C(O)C(=O)O MCULE-4232935518 [0,1,0,0,0,1|2,0,0]=4 1503 B7R0.5 C#CCC(N)C(=O)O MCULE-2022398365 [0,2,0,0,0,0|0,0,2]=4 1504 B7R0.5 C#CCC(N)C(=O)O MCULE-2451098139 [0,2,0,0,0,0|0,0,2]=4 1505 B7R0.5 C#CCC(N)C(=O)O MCULE-4330300997 [0,2,0,0,0,0|0,0,2]=4 1506 B7R0.5 C#CCC(N)C(=O)O MCULE-5100293043 [0,2,0,0,0,0|0,0,2]=4 1507 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-1266511504 [0,2,0,0,0,0|0,0,2]=4 1508 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-2589808316 [0,2,0,0,0,0|0,0,2]=4 1509 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-4703021434 [0,2,0,0,0,0|0,0,2]=4 1510 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-5616417783 [0,2,0,0,0,0|0,0,2]=4 1511 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-1593368546 [0,2,0,0,0,0|0,0,2]=4 1512 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-5683421535 [0,2,0,0,0,0|0,0,2]=4 1513 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-7302855511 [0,2,0,0,0,0|0,0,2]=4 1514 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-9256626051 [0,2,0,0,0,0|0,0,2]=4 1515 B7R0.5 C=C(Br)C(=O)OCC MCULE-3441307956 [0,2,0,0,0,0|1,0,0]=3 1516 B7R0.5 C=C(C)C(=O)NCO MCULE-2758821094 [0,2,0,0,0,0|1,0,0]=3 1517 B7R0.5 C=C(C)C(=O)OCC MCULE-9496497565 [0,2,0,0,0,0|1,0,0]=3 1518 B7R0.5 C=C(CCC)C(=O)O MCULE-5702167426 [0,2,0,0,0,0|1,0,0]=3 1519 B7R0.5 C=C(CCO)C(=O)O MCULE-3336434079 [0,2,0,0,0,0|1,0,0]=3 1520 B7R0.5 C=C(COC)C(=O)O MCULE-8964616960 [0,2,0,0,0,0|1,0,0]=3 1521 B7R0.5 C=C=CC(C)C(=O)O MCULE-3438905862 [0,2,0,0,0,0|1,0,1]=4 1522 B7R0.5 C=CC=C(C)C(=O)O MCULE-9568360048 [0,2,0,0,0,0|1,0,0]=3 1523 B7R0.5 C=CCC(C)C(=O)O MCULE-2912410432 [0,2,0,0,0,0|1,0,1]=4 1524 B7R0.5 C=CCC(N)C(=O)O MCULE-1550468430 [0,2,0,0,0,0|0,0,1]=3 1525 B7R0.5 C=CCC(N)C(=O)O MCULE-1783682768 [0,2,0,0,0,0|0,0,1]=3 1526 B7R0.5 C=CCC(N)C(=O)O MCULE-8721864064 [0,2,0,0,0,0|0,0,1]=3 1527 B7R0.5 C=CCC(N)C(=O)O MCULE-9091562338 [0,2,0,0,0,0|0,0,1]=3 1528 B7R0.5 C=CCC(O)C(=O)O MCULE-6418899544 [0,2,0,0,0,0|1,0,1]=4 1529 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-3817126030 [0,2,0,0,0,0|0,0,1]=3 1530 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-5479618260 [0,2,0,0,0,0|0,0,1]=3 1531 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-6719393730 [0,2,0,0,0,0|0,0,1]=3 1532 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-7577627870 [0,2,0,0,0,0|0,0,1]=3 1533 B7R0.5 C=CC[C@@H](O)C(=O)O MCULE-4103471826 [0,2,0,0,0,0|1,0,1]=4 1534 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-2073484196 [0,2,0,0,0,0|0,0,1]=3 1535 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-3267648941 [0,2,0,0,0,0|0,0,1]=3 1536 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-4183531139 [0,2,0,0,0,0|0,0,1]=3 1537 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-8225762047 [0,2,0,0,0,0|0,0,1]=3 1538 B7R0.5 C=CC[C@H](O)C(=O)O MCULE-8230827617 [0,2,0,0,0,0|1,0,1]=4 1539 B7R0.5 C=COC(=O)C(=C)C MCULE-3204745409 [0,2,0,0,0,0|1,0,0]=3 1540 B7R0.5 CC(CCN)C(=O)O MCULE-8098419324 [0,2,0,0,0,0|0,0,2]=4 1541 B7R0.5 CC(CCN)C(=O)O MCULE-8509861009 [0,2,0,0,0,0|0,0,2]=4 1542 B7R0.5 CC(NC=O)C(=O)O MCULE-7277951464 [0,2,0,0,0,0|0,0,2]=4 1543 B7R0.5 CC/C=C(\C)/C(=O)O MCULE-1290613859 [0,2,0,0,0,0|1,0,0]=3 1544 B7R0.5 CC=CC(C)C(=O)O MCULE-5584906296 [0,2,0,0,0,0|1,0,1]=4 1545 B7R0.5 CC=CC(O)C(=O)O MCULE-5249095255 [0,2,0,0,0,0|1,0,1]=4 1546 B7R0.5 CCC=C(C)C(=O)O MCULE-5045441145 [0,2,0,0,0,0|1,0,0]=3 1547 B7R0.5 CCC=C(F)C(=O)O MCULE-6630499680 [0,2,0,0,0,0|1,0,0]=3 1548 B7R0.5 CCCC(=O)C(=O)N MCULE-6625605588 [0,2,0,0,0,0|2,0,0]=4 1549 B7R0.5 CCCC(=O)C(=O)O MCULE-5281491858 [0,2,0,0,0,0|1,0,1]=4 1550 B7R0.5 CCCC(N)C(=O)O MCULE-1684743992 [0,2,0,0,0,0|0,0,2]=4 1551 B7R0.5 CCCC(N)C(=O)O MCULE-5263067403 [0,2,0,0,0,0|0,0,2]=4 1552 B7R0.5 CCCC(N)C(=O)O MCULE-7151907627 [0,2,0,0,0,0|0,0,2]=4 1553 B7R0.5 CCC[C@@H](N)C(=O)O MCULE-1302378905 [0,2,0,0,0,0|0,0,2]=4 1554 B7R0.5 CCC[C@@H](N)C(=O)O MCULE-5246507817 [0,2,0,0,0,0|0,0,2]=4 1555 B7R0.5 CCC[C@H](N)C(=O)O MCULE-2890516597 [0,2,0,0,0,0|0,0,2]=4 1556 B7R0.5 CCC[C@H](N)C(=O)O MCULE-4690406880 [0,2,0,0,0,0|0,0,2]=4 1557 B7R0.5 CCC[C@H](N)C(=O)O MCULE-9323049450 [0,2,0,0,0,0|0,0,2]=4 1558 B7R0.5 CCNC(=O)C(=O)O MCULE-1213485294 [0,2,0,0,0,0|1,0,0]=3 1559 B7R0.5 CCNC(C)C(=O)O MCULE-5445574810 [0,2,0,0,0,0|0,0,2]=4 1560 B7R0.5 CCNC(C)C(=O)O MCULE-5666785247 [0,2,0,0,0,0|0,0,2]=4 1561 B7R0.5 CCN[C@H](C)C(=O)O MCULE-9676358201 [0,2,0,0,0,0|0,0,2]=4 1562 B7R0.5 CCOC(=O)C(=N)N MCULE-4853735680 [0,2,0,0,0,0|1,0,0]=3 1563 B7R0.5 CCOC(=O)C(=N)N MCULE-9212797796 [0,2,0,0,0,0|1,0,0]=3 1564 B7R0.5 CCOC(=O)C(=O)C MCULE-5817261721 [0,2,0,0,0,0|1,0,1]=4 1565 B7R0.5 CCOC(=O)C(=O)Cl MCULE-6454421959 [0,2,0,0,0,0|2,0,0]=4 1566 B7R0.5 CCOC(=O)C(=O)N MCULE-2968497645 [0,2,0,0,0,0|1,0,0]=3 1567 B7R0.5 CCOC(=O)C(=O)O MCULE-2368024441 [0,2,0,0,0,0|1,0,1]=4 1568 B7R0.5 CCOC(=O)C(=O)[O-] MCULE-1807862684 [0,2,0,0,0,0|2,0,0]=4 1569 B7R0.5 CCOC(=O)C(=S)N MCULE-3285821799 [0,2,0,0,0,0|1,0,0]=3 1570 B7R0.5 CCOC(=O)C(C)N MCULE-1694144423 [0,2,0,0,0,0|0,0,2]=4 1571 B7R0.5 CCOC(=O)C(C)N MCULE-4073874506 [0,2,0,0,0,0|0,0,2]=4 1572 B7R0.5 CCOC(=O)C(C)N MCULE-4082731166 [0,2,0,0,0,0|0,0,2]=4 1573 B7R0.5 CCOC(=O)C(C)N MCULE-5175870607 [0,2,0,0,0,0|0,0,2]=4 1574 B7R0.5 CCOC(=O)N(C)N MCULE-3043289486 [0,2,0,0,0,0|1,0,1]=4 1575 B7R0.5 CCOC(=O)[C@@H](C)N MCULE-1553164105 [0,2,0,0,0,0|0,0,2]=4 1576 B7R0.5 CCOC(=O)[C@@H](C)N MCULE-2294196196 [0,2,0,0,0,0|0,0,2]=4 1577 B7R0.5 CCOC(=O)[C@@H](C)N MCULE-4613491627 [0,2,0,0,0,0|0,0,2]=4 1578 B7R0.5 CCOC(=O)[C@@H](C)N MCULE-8190900780 [0,2,0,0,0,0|0,0,2]=4 1579 B7R0.5 CCOC(=O)[C@H](C)N MCULE-4397919899 [0,2,0,0,0,0|0,0,2]=4 1580 B7R0.5 CCOC(=O)[C@H](C)N MCULE-4404274511 [0,2,0,0,0,0|0,0,2]=4 1581 B7R0.5 CCOC(=O)[C@H](C)N MCULE-7626045082 [0,2,0,0,0,0|0,0,2]=4 1582 B7R0.5 CCOC(=O)[C@H](C)N MCULE-8333235087 [0,2,0,0,0,0|0,0,2]=4 1583 B7R0.5 CCOC(=S)C(=O)N MCULE-4600711043 [0,2,0,0,0,0|1,1,0]=4 1584 B7R0.5 CNCC(C)C(=O)O MCULE-4255373615 [0,2,0,0,0,0|0,0,2]=4 1585 B7R0.5 CNCC(C)C(=O)O MCULE-8076489545 [0,2,0,0,0,0|0,0,2]=4 1586 B7R0.5 CNCC(N)C(=O)O MCULE-4360775406 [0,2,0,0,0,0|0,0,2]=4 1587 B7R0.5 CNCC(N)C(=O)O MCULE-4913403405 [0,2,0,0,0,0|0,0,2]=4 1588 B7R0.5 CNC[C@H](N)C(=O)O MCULE-3465445123 [0,2,0,0,0,0|0,0,2]=4 1589 B7R0.5 CNC[C@H](N)C(=O)O MCULE-7309489523 [0,2,0,0,0,0|0,0,2]=4 1590 B7R0.5 CNC[C@H](N)C(=O)O MCULE-8418254346 [0,2,0,0,0,0|0,0,2]=4 1591 B7R0.5 CNC[C@H](N)C(=O)O MCULE-8752314299 [0,2,0,0,0,0|0,0,2]=4 1592 B7R0.5 COCC(N)C(=O)O MCULE-4336440568 [0,2,0,0,0,0|0,0,2]=4 1593 B7R0.5 COCC(N)C(=O)O MCULE-4899043582 [0,2,0,0,0,0|0,0,2]=4 1594 B7R0.5 COCC(N)C(=O)O MCULE-6964823693 [0,2,0,0,0,0|0,0,2]=4 1595 B7R0.5 COCC(N)C(=O)O MCULE-7037870255 [0,2,0,0,0,0|0,0,2]=4 1596 B7R0.5 COC[C@@H](N)C(=O)O MCULE-1827086666 [0,2,0,0,0,0|0,0,2]=4 1597 B7R0.5 COC[C@@H](N)C(=O)O MCULE-4868456769 [0,2,0,0,0,0|0,0,2]=4 1598 B7R0.5 COC[C@@H](N)C(=O)O MCULE-5275247485 [0,2,0,0,0,0|0,0,2]=4 1599 B7R0.5 COC[C@@H](N)C(=O)O MCULE-7339751251 [0,2,0,0,0,0|0,0,2]=4 1600 B7R0.5 COC[C@H](N)C(=O)O MCULE-3719679803 [0,2,0,0,0,0|0,0,2]=4 1601 B7R0.5 COC[C@H](N)C(=O)O MCULE-4874807874 [0,2,0,0,0,0|0,0,2]=4 1602 B7R0.5 COC[C@H](N)C(=O)O MCULE-5303156917 [0,2,0,0,0,0|0,0,2]=4 1603 B7R0.5 COC[C@H](N)C(=O)O MCULE-8138564560 [0,2,0,0,0,0|0,0,2]=4 1604 B7R0.5 CON=C(C)C(=O)O MCULE-8599774085 [0,2,0,0,0,0|0,0,2]=4 1605 B7R0.5 CSCC(N)C(=O)O MCULE-7668628251 [0,2,0,0,0,0|0,0,2]=4 1606 B7R0.5 CSC[C@H](N)C(=O)O MCULE-1178337776 [0,2,0,0,0,0|0,0,2]=4 1607 B7R0.5 CSC[C@H](N)C(=O)O MCULE-2769761337 [0,2,0,0,0,0|0,0,2]=4 1608 B7R0.5 C[C@H](NC=O)C(=O)O MCULE-3824082361 [0,2,0,0,0,0|0,0,2]=4 1609 B7R0.5 C[C@H](NC=O)C(=O)O MCULE-5248110352 [0,2,0,0,0,0|0,0,2]=4 1610 B7R0.5 C[Se]CC(N)C(=O)O MCULE-3357465269 [0,2,0,0,0,0|0,0,2]=4 1611 B7R0.5 C[Se]CC(N)C(=O)O MCULE-7671606756 [0,2,0,0,0,0|0,0,2]=4 1612 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-5208306365 [0,2,0,0,0,0|0,0,2]=4 1613 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-6734478742 [0,2,0,0,0,0|0,0,2]=4 1614 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-6760615750 [0,2,0,0,0,0|0,0,2]=4 1615 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-7512025617 [0,2,0,0,0,0|0,0,2]=4 1616 B7R0.5 N#CCC(N)C(=O)O MCULE-4929926467 [0,2,0,0,0,0|0,0,2]=4 1617 B7R0.5 N#CC[C@H](N)C(=O)O MCULE-6294926701 [0,2,0,0,0,0|0,0,2]=4 1618 B7R0.5 N#CC[C@H](N)C(=O)O MCULE-6432920316 [0,2,0,0,0,0|0,0,2]=4 1619 B7R0.5 NC(CCBr)C(=O)O MCULE-1900559475 [0,2,0,0,0,0|0,0,2]=4 1620 B7R0.5 NC(CCBr)C(=O)O MCULE-7293320576 [0,2,0,0,0,0|0,0,2]=4 1621 B7R0.5 NC(CCF)C(=O)O MCULE-5519595590 [0,2,0,0,0,0|0,0,2]=4 1622 B7R0.5 NC(CCF)C(=O)O MCULE-7293194855 [0,2,0,0,0,0|0,0,2]=4 1623 B7R0.5 NC(CCO)C(=O)O MCULE-1744838687 [0,2,0,0,0,0|0,0,2]=4 1624 B7R0.5 NC(CCO)C(=O)O MCULE-9642233758 [0,2,0,0,0,0|0,0,2]=4 1625 B7R0.5 NC(CCS)C(=O)O MCULE-8057550187 [0,2,0,0,0,0|0,0,2]=4 1626 B7R0.5 NC(CCS)C(=O)O MCULE-8117596001 [0,2,0,0,0,0|0,0,2]=4 1627 B7R0.5 NC(CNO)C(=O)O MCULE-2332662988 [0,2,0,0,0,0|0,0,2]=4 1628 B7R0.5 NCCC(F)C(=O)O MCULE-5068755002 [0,2,0,0,0,0|1,0,1]=4 1629 B7R0.5 NCCC(F)C(=O)O MCULE-9196695600 [0,2,0,0,0,0|1,0,1]=4 1630 B7R0.5 NCCC(N)C(=O)O MCULE-1239764966 [0,2,0,0,0,0|0,0,2]=4 1631 B7R0.5 NCCC(N)C(=O)O MCULE-2441123923 [0,2,0,0,0,0|0,0,2]=4 1632 B7R0.5 NCCC(N)C(=O)O MCULE-3966593369 [0,2,0,0,0,0|0,0,2]=4 1633 B7R0.5 NCCC(N)C(=O)O MCULE-4212078130 [0,2,0,0,0,0|0,0,2]=4 1634 B7R0.5 NCCC(N)C(=O)O MCULE-7713366571 [0,2,0,0,0,0|0,0,2]=4 1635 B7R0.5 NCCC(N)C(=O)O MCULE-8402131049 [0,2,0,0,0,0|0,0,2]=4 1636 B7R0.5 NCCC(N)C(=O)O MCULE-9198187552 [0,2,0,0,0,0|0,0,2]=4 1637 B7R0.5 NCCC(O)C(=O)O MCULE-3670080484 [0,2,0,0,0,0|1,0,1]=4 1638 B7R0.5 NCCC(O)C(=O)O MCULE-6540935279 [0,2,0,0,0,0|1,0,1]=4 1639 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-4000770618 [0,2,0,0,0,0|0,0,2]=4 1640 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-5775312784 [0,2,0,0,0,0|0,0,2]=4 1641 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-6259961704 [0,2,0,0,0,0|0,0,2]=4 1642 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-9871958374 [0,2,0,0,0,0|0,0,2]=4 1643 B7R0.5 NCC[C@@H](O)C(=O)O MCULE-9726912888 [0,2,0,0,0,0|1,0,1]=4 1644 B7R0.5 NCC[C@H](N)C(=O)O MCULE-1745978456 [0,2,0,0,0,0|0,0,2]=4 1645 B7R0.5 NCC[C@H](N)C(=O)O MCULE-3856066353 [0,2,0,0,0,0|0,0,2]=4 1646 B7R0.5 NCC[C@H](N)C(=O)O MCULE-3919721317 [0,2,0,0,0,0|0,0,2]=4 1647 B7R0.5 NCC[C@H](N)C(=O)O MCULE-5434373726 [0,2,0,0,0,0|0,0,2]=4 1648 B7R0.5 NCC[C@H](N)C(=O)O MCULE-5992578597 [0,2,0,0,0,0|0,0,2]=4 1649 B7R0.5 NCC[C@H](N)C(=O)O MCULE-6536533546 [0,2,0,0,0,0|0,0,2]=4 1650 B7R0.5 NCC[C@H](N)C(=O)O MCULE-6978035806 [0,2,0,0,0,0|0,0,2]=4 1651 B7R0.5 NCC[C@H](N)C(=O)O MCULE-8762011291 [0,2,0,0,0,0|0,0,2]=4 1652 B7R0.5 NCC[C@H](N)C(=O)O MCULE-9645608127 [0,2,0,0,0,0|0,0,2]=4 1653 B7R0.5 NCC[C@H](O)C(=O)O MCULE-3296998083 [0,2,0,0,0,0|1,0,1]=4 1654 B7R0.5 NCC[C@H](O)C(=O)O MCULE-7901866019 [0,2,0,0,0,0|1,0,1]=4 1655 B7R0.5 NOC[C@H](N)C(=O)O MCULE-1050292176 [0,2,0,0,0,0|0,0,2]=4 1656 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-2388269464 [0,2,0,0,0,0|0,0,2]=4 1657 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-2456796412 [0,2,0,0,0,0|0,0,2]=4 1658 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-6229782603 [0,2,0,0,0,0|0,0,2]=4 1659 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-8123446168 [0,2,0,0,0,0|0,0,2]=4 1660 B7R0.5 N[C@@H](CCO)C(=O)O MCULE-2370353784 [0,2,0,0,0,0|0,0,2]=4 1661 B7R0.5 N[C@@H](CCO)C(=O)O MCULE-4861747928 [0,2,0,0,0,0|0,0,2]=4 1662 B7R0.5 N[C@@H](CCS)C(=O)O MCULE-4021115723 [0,2,0,0,0,0|0,0,2]=4 1663 B7R0.5 N[C@@H](CCS)C(=O)O MCULE-7661321953 [0,2,0,0,0,0|0,0,2]=4 1664 B7R0.5 N[C@@H](CSS)C(=O)O MCULE-3029500977 [0,2,0,0,0,0|0,0,2]=4 1665 B7R0.5 N[C@H](CCBr)C(=O)O MCULE-1975650690 [0,2,0,0,0,0|0,0,2]=4 1666 B7R0.5 N[C@H](CCBr)C(=O)O MCULE-7245104465 [0,2,0,0,0,0|0,0,2]=4 1667 B7R0.5 N[C@H](CCO)C(=O)O MCULE-8005652100 [0,2,0,0,0,0|0,0,2]=4 1668 B7R0.5 N[C@H](CCO)C(=O)O MCULE-8613625039 [0,2,0,0,0,0|0,0,2]=4 1669 B7R0.5 N[C@H](CCS)C(=O)O MCULE-1110046008 [0,2,0,0,0,0|0,0,2]=4 1670 B7R0.5 N[C@H](CCS)C(=O)O MCULE-7556963357 [0,2,0,0,0,0|0,0,2]=4 1671 B7R0.5 [C@H](N)(CC#C)C(=O)O MCULE-7308061694 [0,2,0,0,0,0|0,0,2]=4 1672 B7R0.10 C/C(=N\O)/C(=N/O)/N MCULE-8105401552 [0,2,0,0,0,0|2,0,0]=4 1673 B7R0.10 C/C=C(/C)\C(=O)OC MCULE-6490619453 [0,2,0,0,0,0|1,0,0]=3 1674 B7R0.10 C/C=C(\C)/C(=O)OC MCULE-2521624465 [0,2,0,0,0,0|1,0,0]=3 1675 B7R0.10 C=C(C#N)C(=O)OC MCULE-4928080553 [0,2,0,0,0,0|0,0,1]=3 1676 B7R0.10 C=C(CBr)C(=O)OC MCULE-7991860093 [0,2,0,0,0,0|1,0,0]=3 1677 B7R0.10 C=C(CC)C(=O)OC MCULE-2064145693 [0,2,0,0,0,0|1,0,0]=3 1678 B7R0.10 C=C(CCl)C(=O)OC MCULE-8356509776 [0,2,0,0,0,0|1,0,0]=3 1679 B7R0.10 C=C(CO)C(=O)OC MCULE-8888105984 [0,2,0,0,0,0|1,0,0]=3 1680 B7R0.10 C=C(OC)C(=O)OC MCULE-3256769494 [0,2,0,0,0,0|1,0,0]=3 1681 B7R0.10 C=CC(Cl)C(=O)OC MCULE-8371197919 [0,2,0,0,0,0|1,0,1]=4 1682 B7R0.10 C=CC(N)C(=O)OC MCULE-6449924585 [0,2,0,0,0,0|0,0,1]=3 1683 B7R0.10 C=CC(N)C(=O)OC MCULE-8138684326 [0,2,0,0,0,0|0,0,1]=3 1684 B7R0.10 C=CC(O)C(=O)OC MCULE-8475572887 [0,2,0,0,0,0|1,0,1]=4 1685 B7R0.10 CC(=NO)/C(=N/O)/N MCULE-5306915355 [0,2,0,0,0,0|2,0,0]=4 1686 B7R0.10 CC=C(Br)C(=O)OC MCULE-8210439839 [0,2,0,0,0,0|1,0,0]=3 1687 B7R0.10 CC=C(C)C(=O)OC MCULE-7431996149 [0,2,0,0,0,0|1,0,0]=3 1688 B7R0.10 CCC(=O)C(=O)OC MCULE-6526576267 [0,2,0,0,0,0|1,0,1]=4 1689 B7R0.10 CCC(N)C(=O)NO MCULE-9162328479 [0,2,0,0,0,0|0,0,2]=4 1690 B7R0.10 CCC(N)C(=O)OC MCULE-1569242271 [0,2,0,0,0,0|0,0,2]=4 1691 B7R0.10 CCC(N)C(=O)OC MCULE-3183954116 [0,2,0,0,0,0|0,0,2]=4 1692 B7R0.10 CCC(N)C(=O)OC MCULE-4045754117 [0,2,0,0,0,0|0,0,2]=4 1693 B7R0.10 CCC(N)C(=O)OC MCULE-5328984047 [0,2,0,0,0,0|0,0,2]=4 1694 B7R0.10 CC[C@@H](N)C(=O)OC MCULE-6794991435 [0,2,0,0,0,0|0,0,2]=4 1695 B7R0.10 CC[C@@H](N)C(=O)OC MCULE-6825672331 [0,2,0,0,0,0|0,0,2]=4 1696 B7R0.10 CC[C@@H](N)C(=O)OC MCULE-7307663817 [0,2,0,0,0,0|0,0,2]=4 1697 B7R0.10 CC[C@@H](N)C(=O)OC MCULE-8717527808 [0,2,0,0,0,0|0,0,2]=4 1698 B7R0.10 CC[C@H](N)C(=O)OC MCULE-2336816190 [0,2,0,0,0,0|0,0,2]=4 1699 B7R0.10 CC[C@H](N)C(=O)OC MCULE-3480066740 [0,2,0,0,0,0|0,0,2]=4 1700 B7R0.10 CC[C@H](N)C(=O)OC MCULE-4883083558 [0,2,0,0,0,0|0,0,2]=4 1701 B7R0.10 CC[C@H](N)C(=O)OC MCULE-6241184216 [0,2,0,0,0,0|0,0,2]=4 1702 B7R0.10 CNC(=O)/C(=N/O)/N MCULE-4165941405 [0,2,0,0,0,0|2,0,0]=4 1703 B7R0.10 CNC(=O)C(=NO)C MCULE-5419636892 [0,2,0,0,0,0|2,0,0]=4 1704 B7R0.10 CNC(=O)C(=O)NC MCULE-5993874240 [0,2,0,0,0,0|2,0,0]=4 1705 B7R0.10 CNC(=O)C(=O)OC MCULE-1771479923 [0,2,0,0,0,0|1,0,0]=3 1706 B7R0.10 CNC(C)C(=O)OC MCULE-1524259113 [0,2,0,0,0,0|0,0,2]=4 1707 B7R0.10 CNC(C)C(=O)OC MCULE-2414146201 [0,2,0,0,0,0|0,0,2]=4 1708 B7R0.10 CNC(C)C(=O)OC MCULE-3192973771 [0,2,0,0,0,0|0,0,2]=4 1709 B7R0.10 CNC(C)C(=O)OC MCULE-9929257431 [0,2,0,0,0,0|0,0,2]=4 1710 B7R0.10 CN[C@@H](C)C(=O)OC MCULE-1271745038 [0,2,0,0,0,0|0,0,2]=4 1711 B7R0.10 CN[C@@H](C)C(=O)OC MCULE-3018199319 [0,2,0,0,0,0|0,0,2]=4 1712 B7R0.10 CN[C@H](C)C(=O)OC MCULE-3420184809 [0,2,0,0,0,0|0,0,2]=4 1713 B7R0.10 CN[C@H](C)C(=O)OC MCULE-3818454089 [0,2,0,0,0,0|0,0,2]=4 1714 B7R0.10 CN[C@H](C)C(=O)OC MCULE-8297775033 [0,2,0,0,0,0|0,0,2]=4 1715 B7R0.10 CN[C@H](C)C(=O)OC MCULE-9637759835 [0,2,0,0,0,0|0,0,2]=4 1716 B7R0.10 COC(=O)/C(=C/Br)/C MCULE-9213242172 [0,2,0,0,0,0|1,0,0]=3 1717 B7R0.10 COC(=O)/C(=C/Cl)/Cl MCULE-7181141754 [0,2,0,0,0,0|1,0,0]=3 1718 B7R0.10 COC(=O)/C(=C/[O-])/Cl MCULE-5795286951 [0,2,0,0,0,0|1,0,0]=3 1719 B7R0.10 COC(=O)/C(=C/[O-])/Cl MCULE-6102470934 [0,2,0,0,0,0|1,0,0]=3 1720 B7R0.10 COC(=O)/C(=N/O)/N MCULE-6279341489 [0,2,0,0,0,0|1,0,0]=3 1721 B7R0.10 COC(=O)C(=CBr)C MCULE-2452279572 [0,2,0,0,0,0|1,0,0]=3 1722 B7R0.10 COC(=O)C(=O)CBr MCULE-7596502094 [0,2,0,0,0,0|1,0,1]=4 1723 B7R0.10 COC(=O)C(=O)NN MCULE-7834741474 [0,2,0,0,0,0|1,0,0]=3 1724 B7R0.10 COC(=O)C(=O)OC MCULE-5018268642 [0,2,0,0,0,0|1,0,1]=4 1725 B7R0.10 COC(=O)C(C)C=O MCULE-8461987901 [0,2,0,0,0,0|1,0,1]=4 1726 B7R0.10 COC(=O)C(C)CN MCULE-8139628698 [0,2,0,0,0,0|0,0,2]=4 1727 B7R0.10 COC(=O)C(C)CN MCULE-8839292519 [0,2,0,0,0,0|0,0,2]=4 1728 B7R0.10 COC(=O)C(C)ON MCULE-1829014190 [0,2,0,0,0,0|0,0,2]=4 1729 B7R0.10 COC(=O)C(C)ON MCULE-4104938309 [0,2,0,0,0,0|0,0,2]=4 1730 B7R0.10 COC(=O)C(Cl)C=O MCULE-1767241035 [0,2,0,0,0,0|1,0,1]=4 1731 B7R0.10 COC(=O)C(F)CN MCULE-3089053107 [0,2,0,0,0,0|1,0,1]=4 1732 B7R0.10 COC(=O)C(F)CN MCULE-5618581260 [0,2,0,0,0,0|1,0,1]=4 1733 B7R0.10 COC(=O)C(N)C#N MCULE-9016686741 [0,2,0,0,0,0|0,0,2]=4 1734 B7R0.10 COC(=O)C(N)CCl MCULE-2253564316 [0,2,0,0,0,0|0,0,2]=4 1735 B7R0.10 COC(=O)C(N)CCl MCULE-3851909822 [0,2,0,0,0,0|0,0,2]=4 1736 B7R0.10 COC(=O)C(N)CCl MCULE-4649966066 [0,2,0,0,0,0|0,0,2]=4 1737 B7R0.10 COC(=O)C(N)CCl MCULE-9193407415 [0,2,0,0,0,0|0,0,2]=4 1738 B7R0.10 COC(=O)C(N)CF MCULE-2617218019 [0,2,0,0,0,0|0,0,2]=4 1739 B7R0.10 COC(=O)C(N)CF MCULE-3926207531 [0,2,0,0,0,0|0,0,2]=4 1740 B7R0.10 COC(=O)C(N)CN MCULE-7949926265 [0,2,0,0,0,0|0,0,2]=4 1741 B7R0.10 COC(=O)C(N)CN MCULE-9215212479 [0,2,0,0,0,0|0,0,2]=4 1742 B7R0.10 COC(=O)C(N)CO MCULE-1874204534 [0,2,0,0,0,0|0,0,2]=4 1743 B7R0.10 COC(=O)C(N)CO MCULE-1907797317 [0,2,0,0,0,0|0,0,2]=4 1744 B7R0.10 COC(=O)C(N)CO MCULE-3851022091 [0,2,0,0,0,0|0,0,2]=4 1745 B7R0.10 COC(=O)C(N)CO MCULE-9875856930 [0,2,0,0,0,0|0,0,2]=4 1746 B7R0.10 COC(=O)C(N)CS MCULE-5131519605 [0,2,0,0,0,0|0,0,2]=4 1747 B7R0.10 COC(=O)C(N)CS MCULE-5561205392 [0,2,0,0,0,0|0,0,2]=4 1748 B7R0.10 COC(=O)C(N)CS MCULE-9291008448 [0,2,0,0,0,0|0,0,2]=4 1749 B7R0.10 COC(=O)C(N)CS MCULE-9963292576 [0,2,0,0,0,0|0,0,2]=4 1750 B7R0.10 COC(=O)C(O)CN MCULE-1003241246 [0,2,0,0,0,0|1,0,1]=4 1751 B7R0.10 COC(=O)C(O)CN MCULE-9006804473 [0,2,0,0,0,0|1,0,1]=4 1752 B7R0.10 COC(=O)[C@@H](C)CN MCULE-7205157481 [0,2,0,0,0,0|0,0,2]=4 1753 B7R0.10 COC(=O)[C@@H](C)CN MCULE-9885299909 [0,2,0,0,0,0|0,0,2]=4 1754 B7R0.10 COC(=O)[C@@H](F)CN MCULE-2209395189 [0,2,0,0,0,0|1,0,1]=4 1755 B7R0.10 COC(=O)[C@@H](F)CN MCULE-2951378763 [0,2,0,0,0,0|1,0,1]=4 1756 B7R0.10 COC(=O)[C@@H](F)CN MCULE-4599856185 [0,2,0,0,0,0|1,0,1]=4 1757 B7R0.10 COC(=O)[C@@H](F)CN MCULE-5571914049 [0,2,0,0,0,0|1,0,1]=4 1758 B7R0.10 COC(=O)[C@@H](N)CCl MCULE-1649684135 [0,2,0,0,0,0|0,0,2]=4 1759 B7R0.10 COC(=O)[C@@H](N)CCl MCULE-4803192908 [0,2,0,0,0,0|0,0,2]=4 1760 B7R0.10 COC(=O)[C@@H](N)CCl MCULE-6514033613 [0,2,0,0,0,0|0,0,2]=4 1761 B7R0.10 COC(=O)[C@@H](N)CCl MCULE-7997387565 [0,2,0,0,0,0|0,0,2]=4 1762 B7R0.10 COC(=O)[C@@H](N)CN MCULE-4407014418 [0,2,0,0,0,0|0,0,2]=4 1763 B7R0.10 COC(=O)[C@@H](N)CN MCULE-4854066134 [0,2,0,0,0,0|0,0,2]=4 1764 B7R0.10 COC(=O)[C@@H](N)CN MCULE-5060962890 [0,2,0,0,0,0|0,0,2]=4 1765 B7R0.10 COC(=O)[C@@H](N)CN MCULE-8572432694 [0,2,0,0,0,0|0,0,2]=4 1766 B7R0.10 COC(=O)[C@@H](N)CO MCULE-2171593224 [0,2,0,0,0,0|0,0,2]=4 1767 B7R0.10 COC(=O)[C@@H](N)CO MCULE-3393088985 [0,2,0,0,0,0|0,0,2]=4 1768 B7R0.10 COC(=O)[C@@H](N)CO MCULE-5476910845 [0,2,0,0,0,0|0,0,2]=4 1769 B7R0.10 COC(=O)[C@@H](N)CO MCULE-9984439264 [0,2,0,0,0,0|0,0,2]=4 1770 B7R0.10 COC(=O)[C@@H](N)CS MCULE-2560943261 [0,2,0,0,0,0|0,0,2]=4 1771 B7R0.10 COC(=O)[C@@H](N)CS MCULE-3682774490 [0,2,0,0,0,0|0,0,2]=4 1772 B7R0.10 COC(=O)[C@@H](N)CS MCULE-6613123984 [0,2,0,0,0,0|0,0,2]=4 1773 B7R0.10 COC(=O)[C@@H](N)CS MCULE-7354291938 [0,2,0,0,0,0|0,0,2]=4 1774 B7R0.10 COC(=O)[C@@H](O)CN MCULE-1265508864 [0,2,0,0,0,0|1,0,1]=4 1775 B7R0.10 COC(=O)[C@@H](O)CN MCULE-2334791448 [0,2,0,0,0,0|1,0,1]=4 1776 B7R0.10 COC(=O)[C@@H](O)CN MCULE-6207278824 [0,2,0,0,0,0|1,0,1]=4 1777 B7R0.10 COC(=O)[C@@H](O)CN MCULE-6634004594 [0,2,0,0,0,0|1,0,1]=4 1778 B7R0.10 COC(=O)[C@H](C)C=O MCULE-9841785503 [0,2,0,0,0,0|1,0,1]=4 1779 B7R0.10 COC(=O)[C@H](C)CN MCULE-4694019206 [0,2,0,0,0,0|0,0,2]=4 1780 B7R0.10 COC(=O)[C@H](C)CN MCULE-9113866081 [0,2,0,0,0,0|0,0,2]=4 1781 B7R0.10 COC(=O)[C@H](N)CCl MCULE-1199425954 [0,2,0,0,0,0|0,0,2]=4 1782 B7R0.10 COC(=O)[C@H](N)CCl MCULE-2611523756 [0,2,0,0,0,0|0,0,2]=4 1783 B7R0.10 COC(=O)[C@H](N)CCl MCULE-6503487325 [0,2,0,0,0,0|0,0,2]=4 1784 B7R0.10 COC(=O)[C@H](N)CCl MCULE-8714444412 [0,2,0,0,0,0|0,0,2]=4 1785 B7R0.10 COC(=O)[C@H](N)CO MCULE-4463451892 [0,2,0,0,0,0|0,0,2]=4 1786 B7R0.10 COC(=O)[C@H](N)CO MCULE-5622938569 [0,2,0,0,0,0|0,0,2]=4 1787 B7R0.10 COC(=O)[C@H](N)CO MCULE-6021580541 [0,2,0,0,0,0|0,0,2]=4 1788 B7R0.10 COC(=O)[C@H](N)CO MCULE-8237708167 [0,2,0,0,0,0|0,0,2]=4 1789 B7R0.10 COC(=O)[C@H](N)CS MCULE-1845308816 [0,2,0,0,0,0|0,0,2]=4 1790 B7R0.10 COC(=O)[C@H](N)CS MCULE-3480554390 [0,2,0,0,0,0|0,0,2]=4 1791 B7R0.10 COC(=O)[C@H](N)CS MCULE-4432617084 [0,2,0,0,0,0|0,0,2]=4 1792 B7R0.10 COC(=O)[C@H](N)CS MCULE-5747217193 [0,2,0,0,0,0|0,0,2]=4 1793 B7R0.10 COC(=O)[C@H](O)CN MCULE-5902729244 [0,2,0,0,0,0|1,0,1]=4 1794 B7R0.10 COC(=O)[C@H](O)CN MCULE-9252373981 [0,2,0,0,0,0|1,0,1]=4 1795 B7R0.10 N/C(=N\O)/C(=N/O)/N MCULE-4305290462 [0,2,0,0,0,0|2,0,0]=4 1796 B7R0.10 NC(CCl)C(=O)NO MCULE-8256545065 [0,2,0,0,0,0|0,0,2]=4 1797 B7R0.10 NNC(=O)C(=O)NN MCULE-6351884673 [0,2,0,0,0,0|2,0,0]=4 1798 B7R0.10 [C@@H](C)(NC)C(=O)OC MCULE-1799930850 [0,2,0,0,0,0|0,0,2]=4 1799 B7R0.10 [C@@H](C)(NC)C(=O)OC MCULE-5931188957 [0,2,0,0,0,0|0,0,2]=4 1800 B7R0.13 C=CC(C)(C)C(=O)O MCULE-4029204507 [0,2,0,0,0,0|1,0,1]=4 1801 B7R0.13 C=CC(C)(O)C(=O)O MCULE-2362688567 [0,2,0,0,0,0|1,0,1]=4 1802 B7R0.13 C=C[C@@](C)(N)C(=O)O MCULE-4703482436 [0,2,0,0,0,0|0,0,1]=3 1803 B7R0.13 CC(C)(CN)C(=O)O MCULE-1750685187 [0,2,0,0,0,0|0,0,2]=4 1804 B7R0.13 CC(C)(CN)C(=O)O MCULE-7138204669 [0,2,0,0,0,0|0,0,2]=4 1805 B7R0.13 CC(C)(ON)C(=O)O MCULE-3628409953 [0,2,0,0,0,0|0,0,2]=4 1806 B7R0.13 CC(C)(ON)C(=O)O MCULE-4840137554 [0,2,0,0,0,0|0,0,2]=4 1807 B7R0.13 CC(N)(CO)C(=O)O MCULE-5973815630 [0,2,0,0,0,0|0,0,2]=4 1808 B7R0.13 CC(N)(CO)C(=O)O MCULE-6877149014 [0,2,0,0,0,0|0,0,2]=4 1809 B7R0.13 CC(N)(CS)C(=O)O MCULE-4669241619 [0,2,0,0,0,0|0,0,2]=4 1810 B7R0.13 CC(N)(CS)C(=O)O MCULE-8539612367 [0,2,0,0,0,0|0,0,2]=4 1811 B7R0.13 CCC(C)(N)C(=O)O MCULE-4944905519 [0,2,0,0,0,0|0,0,2]=4 1812 B7R0.13 CCC(C)(N)C(=O)O MCULE-8684474701 [0,2,0,0,0,0|0,0,2]=4 1813 B7R0.13 CCC(C)(N)C(=O)O MCULE-9925925283 [0,2,0,0,0,0|0,0,2]=4 1814 B7R0.13 CC[C@@](C)(N)C(=O)O MCULE-4076270773 [0,2,0,0,0,0|0,0,2]=4 1815 B7R0.13 CC[C@@](C)(N)C(=O)O MCULE-4696366287 [0,2,0,0,0,0|0,0,2]=4 1816 B7R0.13 CC[C@@](C)(N)C(=O)O MCULE-7243626223 [0,2,0,0,0,0|0,0,2]=4 1817 B7R0.13 CC[C@@](C)(N)C(=O)O MCULE-8928070809 [0,2,0,0,0,0|0,0,2]=4 1818 B7R0.13 CC[C@](C)(N)C(=O)O MCULE-1912860688 [0,2,0,0,0,0|0,0,2]=4 1819 B7R0.13 CC[C@](C)(N)C(=O)O MCULE-3601494140 [0,2,0,0,0,0|0,0,2]=4 1820 B7R0.13 CC[C@](C)(N)C(=O)O MCULE-4886902354 [0,2,0,0,0,0|0,0,2]=4 1821 B7R0.13 CC[C@](C)(N)C(=O)O MCULE-8271138085 [0,2,0,0,0,0|0,0,2]=4 1822 B7R0.13 CNC(C)(C)C(=O)O MCULE-7551663553 [0,2,0,0,0,0|0,0,2]=4 1823 B7R0.13 CNC(C)(C)C(=O)O MCULE-9856262226 [0,2,0,0,0,0|0,0,2]=4 1824 B7R0.13 C[C@@](N)(CO)C(=O)O MCULE-2146963065 [0,2,0,0,0,0|0,0,2]=4 1825 B7R0.13 C[C@@](N)(CO)C(=O)O MCULE-7622447669 [0,2,0,0,0,0|0,0,2]=4 1826 B7R0.13 C[C@@](N)(CS)C(=O)O MCULE-2627761655 [0,2,0,0,0,0|0,0,2]=4 1827 B7R0.13 C[C@@](N)(CS)C(=O)O MCULE-2887268414 [0,2,0,0,0,0|0,0,2]=4 1828 B7R0.13 C[C@@](N)(CS)C(=O)O MCULE-6190318443 [0,2,0,0,0,0|0,0,2]=4 1829 B7R0.13 C[C@@](N)(CS)C(=O)O MCULE-8033021501 [0,2,0,0,0,0|0,0,2]=4 1830 B7R0.13 C[C@](N)(CO)C(=O)O MCULE-2760852916 [0,2,0,0,0,0|0,0,2]=4 1831 B7R0.13 C[C@](N)(CO)C(=O)O MCULE-4734633152 [0,2,0,0,0,0|0,0,2]=4 1832 B7R0.13 C[C@](N)(CS)C(=O)O MCULE-1527310768 [0,2,0,0,0,0|0,0,2]=4 1833 B7R0.13 C[C@](N)(CS)C(=O)O MCULE-4351926054 [0,2,0,0,0,0|0,0,2]=4 1834 B7R0.13 C[C@](N)(CS)C(=O)O MCULE-6261566257 [0,2,0,0,0,0|0,0,2]=4 1835 B7R0.13 C[C@](N)(CS)C(=O)O MCULE-9035242130 [0,2,0,0,0,0|0,0,2]=4 1836 B7R0.13 NCC(F)(F)C(=O)O MCULE-3688560337 [0,2,0,0,0,0|1,0,1]=4 1837 B7R0.13 NCC(F)(F)C(=O)O MCULE-9077054646 [0,2,0,0,0,0|1,0,1]=4 1838 B7R0.14 COC(=O)C(C)(C)N MCULE-4421106396 [0,2,0,0,0,0|0,0,2]=4 1839 B7R0.14 COC(=O)C(C)(C)N MCULE-5665918426 [0,2,0,0,0,0|0,0,2]=4 1840 B7R0.15 C/C=C(\C#N)/C(=O)O MCULE-4984827905 [0,2,0,0,0,0|0,0,1]=3 1841 B7R0.15 CC=C(C#N)C(=O)O MCULE-5255376210 [0,2,0,0,0,0|0,0,1]=3 1842 B7R0.15 CC=C(CC)C(=O)O MCULE-9303879981 [0,2,0,0,0,0|1,0,0]=3 1843 B7R0.15 CCC(CN)C(=O)O MCULE-3795207054 [0,2,0,0,0,0|0,0,2]=4 1844 B7R0.15 CCC(CN)C(=O)O MCULE-3929048283 [0,2,0,0,0,0|0,0,2]=4 1845 B7R0.15 CCC(NC)C(=O)O MCULE-4101988968 [0,2,0,0,0,0|0,0,2]=4 1846 B7R0.15 CCC(NC)C(=O)O MCULE-4491873969 [0,2,0,0,0,0|0,0,2]=4 1847 B7R0.15 CCC(NN)C(=O)O MCULE-8823684595 [0,2,0,0,0,0|0,0,2]=4 1848 B7R0.15 CCC(NO)C(=O)O MCULE-1962461048 [0,2,0,0,0,0|0,0,2]=4 1849 B7R0.15 CC[C@@H](CN)C(=O)O MCULE-3190659348 [0,2,0,0,0,0|0,0,2]=4 1850 B7R0.15 CC[C@@H](CN)C(=O)O MCULE-5613487575 [0,2,0,0,0,0|0,0,2]=4 1851 B7R0.15 CC[C@@H](CN)C(=O)O MCULE-6726398435 [0,2,0,0,0,0|0,0,2]=4 1852 B7R0.15 CC[C@H](CN)C(=O)O MCULE-2222410753 [0,2,0,0,0,0|0,0,2]=4 1853 B7R0.15 CC[C@H](CN)C(=O)O MCULE-3153536523 [0,2,0,0,0,0|0,0,2]=4 1854 B7R0.15 CNC(CO)C(=O)O MCULE-1439435474 [0,2,0,0,0,0|0,0,2]=4 1855 B7R0.15 CNC(CO)C(=O)O MCULE-7611211207 [0,2,0,0,0,0|0,0,2]=4 1856 B7R0.15 CNC(CS)C(=O)O MCULE-4817727684 [0,2,0,0,0,0|0,0,2]=4 1857 B7R0.15 CNC(CS)C(=O)O MCULE-5741984055 [0,2,0,0,0,0|0,0,2]=4 1858 B7R0.15 CN[C@@H](CN)C(=O)O MCULE-3196852022 [0,2,0,0,0,0|0,0,2]=4 1859 B7R0.15 CN[C@@H](CN)C(=O)O MCULE-3690177999 [0,2,0,0,0,0|0,0,2]=4 1860 B7R0.15 CN[C@@H](CO)C(=O)O MCULE-3320307572 [0,2,0,0,0,0|0,0,2]=4 1861 B7R0.15 CN[C@@H](CO)C(=O)O MCULE-5844994620 [0,2,0,0,0,0|0,0,2]=4 1862 B7R0.15 CN[C@@H](CO)C(=O)O MCULE-6293854138 [0,2,0,0,0,0|0,0,2]=4 1863 B7R0.15 CN[C@@H](CO)C(=O)O MCULE-6463850730 [0,2,0,0,0,0|0,0,2]=4 1864 B7R0.15 CN[C@@H](CS)C(=O)O MCULE-3043115433 [0,2,0,0,0,0|0,0,2]=4 1865 B7R0.15 CN[C@@H](CS)C(=O)O MCULE-8814760080 [0,2,0,0,0,0|0,0,2]=4 1866 B7R0.15 CN[C@H](CO)C(=O)O MCULE-1791141182 [0,2,0,0,0,0|0,0,2]=4 1867 B7R0.15 CN[C@H](CO)C(=O)O MCULE-9346314213 [0,2,0,0,0,0|0,0,2]=4 1868 B7R0.15 COC(CN)C(=O)O MCULE-1561937449 [0,2,0,0,0,0|0,0,2]=4 1869 B7R0.15 COC(CN)C(=O)O MCULE-7501291426 [0,2,0,0,0,0|0,0,2]=4 1870 B7R0.15 CO[C@@H](CN)C(=O)O MCULE-5536624827 [0,2,0,0,0,0|0,0,2]=4 1871 B7R0.15 CO[C@@H](CN)C(=O)O MCULE-6198841067 [0,2,0,0,0,0|0,0,2]=4 1872 B7R0.15 N#C/C(=N/O)/C(=O)N MCULE-2273680002 [0,2,0,0,0,0|2,0,0]=4 1873 B7R0.15 N#C/C(=N\O)/C(=O)N MCULE-4823596047 [0,2,0,0,0,0|2,0,0]=4 1874 B7R0.15 N#CC(=NO)C(=O)N MCULE-9385347173 [0,2,0,0,0,0|2,0,0]=4 1875 B7R0.15 N#CC(=NO)C(=S)N MCULE-6238036591 [0,2,0,0,0,0|2,0,0]=4 1876 B7R0.15 N#CC(CN)C(=O)O MCULE-3513807694 [0,2,0,0,0,0|0,0,2]=4 1877 B7R0.15 NCC(CO)C(=O)O MCULE-5510878508 [0,2,0,0,0,0|0,0,2]=4 1878 B7R0.15 NCC(CO)C(=O)O MCULE-9991285445 [0,2,0,0,0,0|0,0,2]=4 1879 B7R0.15 NC[C@@H](CO)C(=O)O MCULE-4607648703 [0,2,0,0,0,0|0,0,2]=4 1880 B7R0.15 NC[C@@H](CO)C(=O)O MCULE-8943978569 [0,2,0,0,0,0|0,0,2]=4 1881 B7R0.15 NC[C@H](CO)C(=O)O MCULE-8459713640 [0,2,0,0,0,0|0,0,2]=4 1882 B7R0.15 O=C(O)[C@H](CO)NP MCULE-8418001133 [0,2,0,0,0,0|0,0,2]=4 1883 B5R1.2 C=C1COC1 MCULE-1822645869 [1,0,0,1,0,0|1,0,1]=4 1884 B5R1.2 O=C1CCO1 MCULE-1277069147 [1,0,0,1,0,0|0,0,2]=4 1885 B5R1.2 O=C1CNC1 MCULE-5171659870 [1,0,0,1,0,0|1,0,1]=4 1886 B5R1.2 O=C1CNC1 MCULE-8293494956 [1,0,0,1,0,0|1,0,1]=4 1887 B5R1.3 C=CC1CO1 MCULE-1428696186 [1,0,0,1,0,0|1,0,1]=4 1888 B5R1.3 [C@@H]1(CO1)C=C MCULE-9776744095 [1,0,0,1,0,0|1,0,1]=4 1889 B5R1.3 [C@H]1(CO1)C=C MCULE-7934901088 [1,0,0,1,0,0|1,0,1]=4 1890 B7R1.2 BrC1=COC(=C1)Br MCULE-2229692941 [0,0,0,1,0,1|2,0,0]=4 1891 B7R1.2 BrC1=COC(=N1)Br MCULE-6704583546 [0,0,0,1,0,1|2,0,0]=4 1892 B7R1.2 C=C1C=CC(=O)O1 MCULE-1046353319 [0,0,0,1,0,1|2,0,0]=4 1893 B7R1.2 C=C1CCC(=O)O1 MCULE-2485348963 [0,0,0,1,0,1|2,0,0]=4 1894 B7R1.2 CC1=CC(=CO1)Br MCULE-1365881695 [0,0,0,1,0,1|2,0,0]=4 1895 B7R1.2 CC1=CC(=CS1)N MCULE-4677626148 [0,0,0,1,0,1|1,1,0]=4 1896 B7R1.2 CC1=CC(=CS1)N MCULE-4954759044 [0,0,0,1,0,1|1,1,0]=4 1897 B7R1.2 CC1=CC(=NO1)N MCULE-4538523254 [0,0,0,1,0,1|2,0,0]=4 1898 B7R1.2 CC1=CC(=O)NO1 MCULE-4569959155 [0,0,0,1,0,1|2,0,0]=4 1899 B7R1.2 CC1=CC(=O)OC1 MCULE-6549202383 [0,0,0,1,0,1|1,0,1]=4 1900 B7R1.2 CC1=CC=C(O1)N MCULE-5583871788 [0,0,0,1,0,1|2,0,0]=4 1901 B7R1.2 CC1=CC=C(S1)N MCULE-1672887913 [0,0,0,1,0,1|2,0,0]=4 1902 B7R1.2 CC1=CC=C(S1)N MCULE-4947745341 [0,0,0,1,0,1|2,0,0]=4 1903 B7R1.2 CC1=CC=C(S1)O MCULE-7587913788 [0,0,0,1,0,1|2,0,0]=4 1904 B7R1.2 CC1=CCC(=O)O1 MCULE-5954539189 [0,0,0,1,0,1|2,0,0]=4 1905 B7R1.2 CC1=CCC(=O)O1 MCULE-7236091694 [0,0,0,1,0,1|2,0,0]=4 1906 B7R1.2 CC1=CCC(=O)S1 MCULE-5812502919 [0,0,0,1,0,1|2,0,0]=4 1907 B7R1.2 CC1=CN=C(S1)O MCULE-4228024619 [0,0,0,1,0,1|2,0,0]=4 1908 B7R1.2 CC1=CNC(=O)N1 MCULE-7571832495 [0,0,0,1,0,1|2,0,0]=4 1909 B7R1.2 CC1=COC(=C1)C MCULE-9104872009 [0,0,0,1,0,1|2,0,0]=4 1910 B7R1.2 CC1=COC(=N)N1 MCULE-2875662146 [0,0,0,1,0,1|2,0,0]=4 1911 B7R1.2 CC1=COC(=N1)Br MCULE-3628895128 [0,0,0,1,0,1|2,0,0]=4 1912 B7R1.2 CC1=COC(=N1)C MCULE-3626673481 [0,0,0,1,0,1|2,0,0]=4 1913 B7R1.2 CC1=COC(=N1)Cl MCULE-8812650506 [0,0,0,1,0,1|2,0,0]=4 1914 B7R1.2 CC1=COC(=N1)S MCULE-7659225823 [0,0,0,1,0,1|1,1,0]=4 1915 B7R1.2 CC1=CSC(=C1)O MCULE-1324476521 [0,0,0,1,0,1|1,1,0]=4 1916 B7R1.2 CC1=CSC(=O)N1 MCULE-6083480700 [0,0,0,1,0,1|1,1,0]=4 1917 B7R1.2 CC1=NC(=CO1)Br MCULE-4921013012 [0,0,0,1,0,1|2,0,0]=4 1918 B7R1.2 CC1=NC(=CS1)N MCULE-3086911944 [0,0,0,1,0,1|1,1,0]=4 1919 B7R1.2 CC1=NC(=CS1)N MCULE-4543325094 [0,0,0,1,0,1|1,1,0]=4 1920 B7R1.2 CC1=NC(=NO1)N MCULE-8189524601 [0,0,0,1,0,1|2,0,0]=4 1921 B7R1.2 CC1=NC(=O)NN1 MCULE-7112378155 [0,0,0,1,0,1|1,0,1]=4 1922 B7R1.2 CC1=NC=C(O1)N MCULE-9670426348 [0,0,0,1,0,1|2,0,0]=4 1923 B7R1.2 CC1=NC=C(S1)N MCULE-2117348978 [0,0,0,1,0,1|2,0,0]=4 1924 B7R1.2 CC1=NC=C(S1)N MCULE-3448900159 [0,0,0,1,0,1|2,0,0]=4 1925 B7R1.2 CC1=NOC(=O)C1 MCULE-2665741338 [0,0,0,1,0,1|0,0,2]=4 1926 B7R1.2 CC1=NOC(=O)C1 MCULE-3084424307 [0,0,0,1,0,1|0,0,2]=4 1927 B7R1.2 CC1=NOC(=O)O1 MCULE-5416417255 [0,0,0,1,0,1|0,0,2]=4 1928 B7R1.2 IC1=COC(=N1)I MCULE-5488834762 [0,0,0,1,0,1|2,0,0]=4 1929 B7R1.2 NC1=CC(=NO1)O MCULE-4713053247 [0,0,0,1,0,1|2,0,0]=4 1930 B7R1.2 NC1=CC(=O)CC1 MCULE-9465243079 [0,0,0,1,0,1|1,0,1]=4 1931 B7R1.2 NC1=CC(=O)CS1 MCULE-9118810823 [0,0,0,1,0,1|2,0,0]=4 1932 B7R1.2 NC1=CC(=O)NN1 MCULE-6721529473 [0,0,0,1,0,1|2,0,0]=4 1933 B7R1.2 NC1=CC=C(S1)Br MCULE-3753190045 [0,0,0,1,0,1|2,0,0]=4 1934 B7R1.2 NC1=CC=C(S1)Br MCULE-8405320841 [0,0,0,1,0,1|2,0,0]=4 1935 B7R1.2 NC1=CC=C(S1)Cl MCULE-2899601281 [0,0,0,1,0,1|2,0,0]=4 1936 B7R1.2 NC1=CC=C(S1)Cl MCULE-4678133758 [0,0,0,1,0,1|2,0,0]=4 1937 B7R1.2 NC1=CC=C(S1)S MCULE-8625998911 [0,0,0,1,0,1|1,1,0]=4 1938 B7R1.2 NC1=CN=C(S1)Br MCULE-3724906209 [0,0,0,1,0,1|2,0,0]=4 1939 B7R1.2 NC1=CN=C(S1)Br MCULE-5806390579 [0,0,0,1,0,1|2,0,0]=4 1940 B7R1.2 NC1=CN=C(S1)Br MCULE-7736739619 [0,0,0,1,0,1|2,0,0]=4 1941 B7R1.2 NC1=CN=C(S1)F MCULE-7666555873 [0,0,0,1,0,1|2,0,0]=4 1942 B7R1.2 NC1=CSC(=C1)Br MCULE-4419421889 [0,0,0,1,0,1|1,1,0]=4 1943 B7R1.2 NC1=CSC(=C1)Br MCULE-4824675898 [0,0,0,1,0,1|1,1,0]=4 1944 B7R1.2 NC1=CSC(=C1)Br MCULE-9713306865 [0,0,0,1,0,1|1,1,0]=4 1945 B7R1.2 NC1=CSC(=C1)Cl MCULE-1264261152 [0,0,0,1,0,1|1,1,0]=4 1946 B7R1.2 NC1=CSC(=C1)Cl MCULE-4907003251 [0,0,0,1,0,1|1,1,0]=4 1947 B7R1.2 NC1=CSC(=N1)Br MCULE-1318301399 [0,0,0,1,0,1|1,1,0]=4 1948 B7R1.2 NC1=CSC(=N1)Br MCULE-6493134567 [0,0,0,1,0,1|1,1,0]=4 1949 B7R1.2 NC1=CSC(=N1)N MCULE-4736308679 [0,0,0,1,0,1|1,1,0]=4 1950 B7R1.2 NC1=CSC(=N1)N MCULE-5279369252 [0,0,0,1,0,1|1,1,0]=4 1951 B7R1.2 NC1=NC(=CS1)O MCULE-3638877946 [0,0,0,1,0,1|2,0,0]=4 1952 B7R1.2 NC1=NC(=O)C=N1 MCULE-2020007120 [0,0,0,1,0,1|2,0,0]=4 1953 B7R1.2 NC1=NC(=O)C=N1 MCULE-3303233815 [0,0,0,1,0,1|2,0,0]=4 1954 B7R1.2 NC1=NC(=O)CO1 MCULE-5739646901 [0,0,0,1,0,1|2,0,0]=4 1955 B7R1.2 NC1=NC(=O)CS1 MCULE-1329225872 [0,0,0,1,0,1|2,0,0]=4 1956 B7R1.2 NC1=NC(=O)CS1 MCULE-6008399337 [0,0,0,1,0,1|2,0,0]=4 1957 B7R1.2 NC1=NCC(=O)N1 MCULE-7816305365 [0,0,0,1,0,1|2,0,0]=4 1958 B7R1.2 NC1=NCC(=O)N1 MCULE-9546104284 [0,0,0,1,0,1|2,0,0]=4 1959 B7R1.2 NC1=NCC(=O)S1 MCULE-1885235061 [0,0,0,1,0,1|2,0,0]=4 1960 B7R1.2 NC1=NN=C(S1)O MCULE-9726286357 [0,0,0,1,0,1|2,0,0]=4 1961 B7R1.2 NC1=NNC(=O)C1 MCULE-1000997494 [0,0,0,1,0,1|2,0,0]=4 1962 B7R1.2 NC1=NNC(=O)N1 MCULE-9633941721 [0,0,0,1,0,1|2,0,0]=4 1963 B7R1.2 NC1=NOC(=N1)N MCULE-9500709375 [0,0,0,1,0,1|2,0,0]=4 1964 B7R1.2 NC1=NOC(=N1)O MCULE-4783377241 [0,0,0,1,0,1|1,0,1]=4 1965 B7R1.2 NC1COC(=O)C1 MCULE-1027386953 [0,0,0,1,0,1|0,0,2]=4 1966 B7R1.2 NC1COC(=O)C1 MCULE-1493825051 [0,0,0,1,0,1|0,0,2]=4 1967 B7R1.2 NC1COC(=O)C1 MCULE-3118610284 [0,0,0,1,0,1|0,0,2]=4 1968 B7R1.2 NC1COC(=O)C1 MCULE-8194840985 [0,0,0,1,0,1|0,0,2]=4 1969 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-2437548952 [0,0,0,1,0,1|0,0,2]=4 1970 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-4215135536 [0,0,0,1,0,1|0,0,2]=4 1971 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-4884145743 [0,0,0,1,0,1|0,0,2]=4 1972 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-9276068415 [0,0,0,1,0,1|0,0,2]=4 1973 B7R1.2 N[C@H]1COC(=O)C1 MCULE-2936782126 [0,0,0,1,0,1|0,0,2]=4 1974 B7R1.2 N[C@H]1COC(=O)C1 MCULE-4255876921 [0,0,0,1,0,1|0,0,2]=4 1975 B7R1.2 N[C@H]1COC(=O)C1 MCULE-5377151477 [0,0,0,1,0,1|0,0,2]=4 1976 B7R1.2 N[C@H]1COC(=O)C1 MCULE-6406960509 [0,0,0,1,0,1|0,0,2]=4 1977 B7R1.2 O=C1C=C(CN1)O MCULE-4305405716 [0,0,0,1,0,1|2,0,0]=4 1978 B7R1.2 O=C1C=C(CO1)Br MCULE-8883097432 [0,0,0,1,0,1|1,0,1]=4 1979 B7R1.2 O=C1C=C(CO1)O MCULE-5095558101 [0,0,0,1,0,1|1,0,1]=4 1980 B7R1.2 O=C1C=CC(=O)C1 MCULE-7662591278 [0,0,0,1,0,1|2,0,0]=4 1981 B7R1.2 O=C1C=CC(=O)N1 MCULE-3677915339 [0,0,0,1,0,1|2,0,0]=4 1982 B7R1.2 O=C1C=CC(=O)O1 MCULE-5322674641 [0,0,0,1,0,1|2,0,0]=4 1983 B7R1.2 O=C1CC(=CO1)O MCULE-3691688750 [0,0,0,1,0,1|1,0,0]=3 1984 B7R1.2 O=C1CC(=O)NN1 MCULE-4591056937 [0,0,0,1,0,1|2,0,0]=4 1985 B7R1.2 O=C1CNC(=O)C1 MCULE-6981924013 [0,0,0,1,0,1|2,0,0]=4 1986 B7R1.2 O=C1CNC(=O)N1 MCULE-6812812243 [0,0,0,1,0,1|2,0,0]=4 1987 B7R1.2 O=C1CNC(=O)O1 MCULE-7702120642 [0,0,0,1,0,1|2,0,0]=4 1988 B7R1.2 O=C1CNC(=O)S1 MCULE-5050685903 [0,0,0,1,0,1|2,0,0]=4 1989 B7R1.2 O=C1CNC(=S)N1 MCULE-3766479597 [0,0,0,1,0,1|2,0,0]=4 1990 B7R1.2 O=C1CNC(=S)S1 MCULE-4359186239 [0,0,0,1,0,1|2,0,0]=4 1991 B7R1.2 O=C1COC(=O)C1 MCULE-3258090872 [0,0,0,1,0,1|1,0,1]=4 1992 B7R1.2 O=C1COC(=O)N1 MCULE-3103815953 [0,0,0,1,0,1|1,0,1]=4 1993 B7R1.2 O=C1COC(=O)[N-]1 MCULE-2786348217 [0,0,0,1,0,1|1,0,1]=4 1994 B7R1.2 O=C1N=C(NN1)S MCULE-4550378114 [0,0,0,1,0,1|2,0,0]=4 1995 B7R1.2 O=C1NC(=CS1)O MCULE-2237666080 [0,0,0,1,0,1|1,1,0]=4 1996 B7R1.2 O=C1NC=C(S1)Cl MCULE-7571560638 [0,0,0,1,0,1|2,0,0]=4 1997 B7R1.2 O=C1NNC(=O)N1 MCULE-5611157961 [0,0,0,1,0,1|2,0,0]=4 1998 B7R1.2 O=C1NOC(=O)N1 MCULE-5599103299 [0,0,0,1,0,1|1,0,0]=3 1999 B7R1.2 OC1=CC=C(S1)Br MCULE-2888788322 [0,0,0,1,0,1|2,0,0]=4 2000 B7R1.2 OC1=NC(=CS1)Br MCULE-6006572224 [0,0,0,1,0,1|1,1,0]=4 2001 B7R1.12 C=C1CC1C(=O)O MCULE-4330944573 [0,0,0,1,0,1|1,0,0]=3 2002 B7R1.12 CC1=CC1C(=O)O MCULE-6979504623 [0,0,0,1,0,1|1,0,0]=3 2003 B7R1.20 O=C(O)C=C1CC1 MCULE-7214971091 [0,0,0,1,0,1|1,0,1]=4 2004 B7R1.4 BrC1=C(OC=C1)Br MCULE-7426166356 [0,1,0,1,0,0|2,0,0]=4 2005 B7R1.4 BrC1=C(OC=C1)I MCULE-5137662121 [0,1,0,1,0,0|2,0,0]=4 2006 B7R1.4 BrC1=COC=C1Br MCULE-4599284885 [0,1,0,1,0,0|2,0,0]=4 2007 B7R1.4 C=C1CCNC1=O MCULE-2729105523 [0,1,0,1,0,0|2,0,0]=4 2008 B7R1.4 C=C1CCOC1=O MCULE-5907828600 [0,1,0,1,0,0|1,0,0]=3 2009 B7R1.4 CC1=C(C=CO1)Br MCULE-5272760073 [0,1,0,1,0,0|2,0,0]=4 2010 B7R1.4 CC1=C(C=CO1)N MCULE-8304976100 [0,1,0,1,0,0|1,0,0]=3 2011 B7R1.4 CC1=C(C=CO1)S MCULE-3331659980 [0,1,0,1,0,0|2,0,0]=4 2012 B7R1.4 CC1=C(C=CO1)S MCULE-8172133853 [0,1,0,1,0,0|2,0,0]=4 2013 B7R1.4 CC1=C(C=CS1)N MCULE-4152889855 [0,1,0,1,0,0|1,1,0]=4 2014 B7R1.4 CC1=C(C=CS1)N MCULE-4377439924 [0,1,0,1,0,0|1,1,0]=4 2015 B7R1.4 CC1=C(C=NO1)Br MCULE-3480380556 [0,1,0,1,0,0|2,0,0]=4 2016 B7R1.4 CC1=C(C=NO1)I MCULE-1012314205 [0,1,0,1,0,0|2,0,0]=4 2017 B7R1.4 CC1=C(C=NO1)N MCULE-4982899453 [0,1,0,1,0,0|1,0,0]=3 2018 B7R1.4 CC1=C(C=NO1)N MCULE-8792251798 [0,1,0,1,0,0|1,0,0]=3 2019 B7R1.4 CC1=C(N=CO1)Br MCULE-5720800030 [0,1,0,1,0,0|2,0,0]=4 2020 B7R1.4 CC1=C(N=CO1)Br MCULE-6592849789 [0,1,0,1,0,0|2,0,0]=4 2021 B7R1.4 CC1=C(N=CS1)N MCULE-4599689544 [0,1,0,1,0,0|1,1,0]=4 2022 B7R1.4 CC1=C(N=CS1)N MCULE-6109505951 [0,1,0,1,0,0|1,1,0]=4 2023 B7R1.4 CC1=C(NC=N1)N MCULE-8683874466 [0,1,0,1,0,0|2,0,0]=4 2024 B7R1.4 CC1=C(NC=N1)N MCULE-9896966586 [0,1,0,1,0,0|2,0,0]=4 2025 B7R1.4 CC1=C(OC=C1)Br MCULE-4484142471 [0,1,0,1,0,0|2,0,0]=4 2026 B7R1.4 CC1=C(OC=C1)C MCULE-1944160075 [0,1,0,1,0,0|2,0,0]=4 2027 B7R1.4 CC1=C(OC=N1)Br MCULE-1847779575 [0,1,0,1,0,0|2,0,0]=4 2028 B7R1.4 CC1=C(OC=N1)Br MCULE-6842310823 [0,1,0,1,0,0|2,0,0]=4 2029 B7R1.4 CC1=C(OC=N1)C MCULE-6212214015 [0,1,0,1,0,0|2,0,0]=4 2030 B7R1.4 CC1=C(OC=N1)N MCULE-5764234577 [0,1,0,1,0,0|2,0,0]=4 2031 B7R1.4 CC1=C(ON=C1)C MCULE-2037233742 [0,1,0,1,0,0|2,0,0]=4 2032 B7R1.4 CC1=C(ON=C1)N MCULE-1189999644 [0,1,0,1,0,0|2,0,0]=4 2033 B7R1.4 CC1=C(SC=N1)N MCULE-1396035800 [0,1,0,1,0,0|2,0,0]=4 2034 B7R1.4 CC1=C(SC=N1)N MCULE-3965111306 [0,1,0,1,0,0|2,0,0]=4 2035 B7R1.4 CC1=CCCC1=O MCULE-3713655264 [0,1,0,1,0,0|2,0,0]=4 2036 B7R1.4 CC1=CCOC1=O MCULE-9785490540 [0,1,0,1,0,0|1,0,0]=3 2037 B7R1.4 CC1=CNNC1=O MCULE-9098077492 [0,1,0,1,0,0|1,0,1]=4 2038 B7R1.4 CC1=COC=C1Br MCULE-5316317633 [0,1,0,1,0,0|2,0,0]=4 2039 B7R1.4 CC1=CON=C1Br MCULE-8042592335 [0,1,0,1,0,0|2,0,0]=4 2040 B7R1.4 CC1=CON=C1N MCULE-6766602702 [0,1,0,1,0,0|2,0,0]=4 2041 B7R1.4 CC1=CSC=C1N MCULE-2229858743 [0,1,0,1,0,0|1,1,0]=4 2042 B7R1.4 CC1=CSC=C1N MCULE-9678851280 [0,1,0,1,0,0|1,1,0]=4 2043 B7R1.4 CC1=CSC=C1N MCULE-9850701502 [0,1,0,1,0,0|1,1,0]=4 2044 B7R1.4 CC1=NNC=C1N MCULE-2511920915 [0,1,0,1,0,0|2,0,0]=4 2045 B7R1.4 CC1=NNC=C1N MCULE-5966078729 [0,1,0,1,0,0|2,0,0]=4 2046 B7R1.4 CC1=NNC=C1N MCULE-6524486526 [0,1,0,1,0,0|2,0,0]=4 2047 B7R1.4 CC1=NOC=C1Br MCULE-7195499083 [0,1,0,1,0,0|2,0,0]=4 2048 B7R1.4 CC1=NOC=C1N MCULE-4953481155 [0,1,0,1,0,0|1,0,0]=3 2049 B7R1.4 CC1=NOC=C1N MCULE-7158422089 [0,1,0,1,0,0|1,0,0]=3 2050 B7R1.4 CC1=NON=C1N MCULE-3382265106 [0,1,0,1,0,0|2,0,0]=4 2051 B7R1.4 CC1=NSC=C1N MCULE-1714579639 [0,1,0,1,0,0|1,1,0]=4 2052 B7R1.4 CC1=NSC=C1N MCULE-8952603976 [0,1,0,1,0,0|1,1,0]=4 2053 B7R1.4 IC1=COC=C1I MCULE-5679734572 [0,1,0,1,0,0|2,0,0]=4 2054 B7R1.4 NC1=C(C=CS1)Br MCULE-9931355765 [0,1,0,1,0,0|2,0,0]=4 2055 B7R1.4 NC1=C(NN=C1)N MCULE-5202717352 [0,1,0,1,0,0|2,0,0]=4 2056 B7R1.4 NC1=C(SC=C1)Br MCULE-5177518644 [0,1,0,1,0,0|1,1,0]=4 2057 B7R1.4 NC1=C(SC=C1)Br MCULE-9842294434 [0,1,0,1,0,0|1,1,0]=4 2058 B7R1.4 NC1=C(SC=C1)Cl MCULE-3109484453 [0,1,0,1,0,0|1,1,0]=4 2059 B7R1.4 NC1=C(SC=C1)Cl MCULE-4898124373 [0,1,0,1,0,0|1,1,0]=4 2060 B7R1.4 NC1=C(SC=N1)Br MCULE-5191475456 [0,1,0,1,0,0|1,1,0]=4 2061 B7R1.4 NC1=CCOC1=O MCULE-9089854091 [0,1,0,1,0,0|0,0,0]=2 2062 B7R1.4 NC1=CNN=C1Br MCULE-1534811592 [0,1,0,1,0,0|2,0,0]=4 2063 B7R1.4 NC1=CNN=C1Br MCULE-2065721519 [0,1,0,1,0,0|2,0,0]=4 2064 B7R1.4 NC1=CNN=C1Cl MCULE-2273143071 [0,1,0,1,0,0|2,0,0]=4 2065 B7R1.4 NC1=CNN=C1Cl MCULE-7990573623 [0,1,0,1,0,0|2,0,0]=4 2066 B7R1.4 NC1=CNN=C1F MCULE-6813885079 [0,1,0,1,0,0|2,0,0]=4 2067 B7R1.4 NC1=CNN=C1N MCULE-1287724099 [0,1,0,1,0,0|2,0,0]=4 2068 B7R1.4 NC1=CNN=C1N MCULE-2267689782 [0,1,0,1,0,0|2,0,0]=4 2069 B7R1.4 NC1=CNN=C1N MCULE-4410982657 [0,1,0,1,0,0|2,0,0]=4 2070 B7R1.4 NC1=CNNC1=O MCULE-5341060497 [0,1,0,1,0,0|1,0,0]=3 2071 B7R1.4 NC1=CNNC1=O MCULE-9560987259 [0,1,0,1,0,0|1,0,0]=3 2072 B7R1.4 NC1=CSC=C1Br MCULE-2426699535 [0,1,0,1,0,0|1,1,0]=4 2073 B7R1.4 NC1=CSC=C1Br MCULE-7977776847 [0,1,0,1,0,0|1,1,0]=4 2074 B7R1.4 NC1=CSC=C1Cl MCULE-9354005382 [0,1,0,1,0,0|1,1,0]=4 2075 B7R1.4 NC1=CSC=C1Cl MCULE-9597525150 [0,1,0,1,0,0|1,1,0]=4 2076 B7R1.4 NC1=CSC=C1N MCULE-3102958778 [0,1,0,1,0,0|1,1,0]=4 2077 B7R1.4 NC1=CSC=C1N MCULE-8039905444 [0,1,0,1,0,0|1,1,0]=4 2078 B7R1.4 NC1=CSC=C1N MCULE-9684053669 [0,1,0,1,0,0|1,1,0]=4 2079 B7R1.4 NC1=NOC=C1Br MCULE-5371812507 [0,1,0,1,0,0|2,0,0]=4 2080 B7R1.4 NC1=NOC=C1Cl MCULE-3098999490 [0,1,0,1,0,0|2,0,0]=4 2081 B7R1.4 NC1=NON=C1Cl MCULE-2142721475 [0,1,0,1,0,0|2,0,0]=4 2082 B7R1.4 NC1=NON=C1N MCULE-9556144390 [0,1,0,1,0,0|2,0,0]=4 2083 B7R1.4 NC1=NON=C1O MCULE-6904763946 [0,1,0,1,0,0|1,0,1]=4 2084 B7R1.4 NC1CCOC1=O MCULE-1011670330 [0,1,0,1,0,0|0,0,2]=4 2085 B7R1.4 NC1CCOC1=O MCULE-1366805966 [0,1,0,1,0,0|0,0,2]=4 2086 B7R1.4 NC1CCOC1=O MCULE-1874490478 [0,1,0,1,0,0|0,0,2]=4 2087 B7R1.4 NC1CCOC1=O MCULE-4434379753 [0,1,0,1,0,0|0,0,2]=4 2088 B7R1.4 NC1CCOC1=O MCULE-7302633352 [0,1,0,1,0,0|0,0,2]=4 2089 B7R1.4 NC1CCOC1=O MCULE-8009953591 [0,1,0,1,0,0|0,0,2]=4 2090 B7R1.4 NC1CONC1=O MCULE-3118867985 [0,1,0,1,0,0|0,0,2]=4 2091 B7R1.4 NC1CONC1=O MCULE-3159218372 [0,1,0,1,0,0|0,0,2]=4 2092 B7R1.4 NN1C=NNC1=O MCULE-1613661520 [0,1,0,1,0,0|2,0,0]=4 2093 B7R1.4 NN1CCOC1=O MCULE-7407834106 [0,1,0,1,0,0|1,0,1]=4 2094 B7R1.4 NN1CCOC1=O MCULE-8091613930 [0,1,0,1,0,0|1,0,1]=4 2095 B7R1.4 N[C@@H]1CCOC1=O MCULE-1027751896 [0,1,0,1,0,0|0,0,2]=4 2096 B7R1.4 N[C@@H]1CCOC1=O MCULE-4034349263 [0,1,0,1,0,0|0,0,2]=4 2097 B7R1.4 N[C@@H]1CCOC1=O MCULE-8790782772 [0,1,0,1,0,0|0,0,2]=4 2098 B7R1.4 N[C@@H]1CCOC1=O MCULE-9300265861 [0,1,0,1,0,0|0,0,2]=4 2099 B7R1.4 N[C@@H]1CONC1=O MCULE-4212827696 [0,1,0,1,0,0|0,0,2]=4 2100 B7R1.4 N[C@@H]1CONC1=O MCULE-6014142329 [0,1,0,1,0,0|0,0,2]=4 2101 B7R1.4 N[C@H]1CCOC1=O MCULE-4393293388 [0,1,0,1,0,0|0,0,2]=4 2102 B7R1.4 N[C@H]1CCOC1=O MCULE-4751602783 [0,1,0,1,0,0|0,0,2]=4 2103 B7R1.4 N[C@H]1CCOC1=O MCULE-7924572479 [0,1,0,1,0,0|0,0,2]=4 2104 B7R1.4 N[C@H]1CCOC1=O MCULE-8545644747 [0,1,0,1,0,0|0,0,2]=4 2105 B7R1.4 N[C@H]1CCOC1=O MCULE-8634641228 [0,1,0,1,0,0|0,0,2]=4 2106 B7R1.4 N[C@H]1CONC1=O MCULE-4286940154 [0,1,0,1,0,0|0,0,2]=4 2107 B7R1.4 N[C@H]1CONC1=O MCULE-9925977120 [0,1,0,1,0,0|0,0,2]=4 2108 B7R1.4 O=C1CCC=C1Br MCULE-1509582125 [0,1,0,1,0,0|2,0,0]=4 2109 B7R1.4 O=C1CCC=C1I MCULE-2710048446 [0,1,0,1,0,0|2,0,0]=4 2110 B7R1.4 O=C1CCC=C1O MCULE-8745661989 [0,1,0,1,0,0|2,0,0]=4 2111 B7R1.4 O=C1CCNC1=O MCULE-6243503430 [0,1,0,1,0,0|2,0,0]=4 2112 B7R1.4 O=C1OCC=C1Br MCULE-9287853531 [0,1,0,1,0,0|1,0,0]=3 2113 B7R1.4 OC1=CSC=C1O MCULE-7694152673 [0,1,0,1,0,0|1,1,0]=4 2114 B7R1.4 OC1=NOC=C1Br MCULE-1436145132 [0,1,0,1,0,0|1,0,1]=4 2115 B7R1.15 O=C1C=C(C1=O)O MCULE-3440355716 [0,1,0,1,0,0|1,0,0]=3 2116 B7R1.15 O=C1C=C(C1=O)[O-] MCULE-9991893223 [0,1,0,1,0,0|1,0,1]=4 2117 B7R1.18 C1(CCN1)C(=O)O MCULE-9324355017 [0,1,0,1,0,0|0,0,2]=4 2118 B7R1.18 O=C(O)C1=CCC1 MCULE-4244912351 [0,1,0,1,0,0|1,0,0]=3 2119 B7R1.18 O=C(O)C1CCN1 MCULE-1336085891 [0,1,0,1,0,0|0,0,2]=4 2120 B7R1.18 O=C(O)C1CCN1 MCULE-6501890131 [0,1,0,1,0,0|0,0,2]=4 2121 B7R1.18 O=C(O)C1CCN1 MCULE-7647115314 [0,1,0,1,0,0|0,0,2]=4 2122 B7R1.18 O=C(O)C1CNC1 MCULE-2350328355 [0,1,0,1,0,0|0,0,2]=4 2123 B7R1.18 O=C(O)C1CNC1 MCULE-7890374869 [0,1,0,1,0,0|0,0,2]=4 2124 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-2126306157 [0,1,0,1,0,0|0,0,2]=4 2125 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-2597576629 [0,1,0,1,0,0|0,0,2]=4 2126 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-6006656004 [0,1,0,1,0,0|0,0,2]=4 2127 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-7241612713 [0,1,0,1,0,0|0,0,2]=4 2128 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-3254184046 [0,1,0,1,0,0|0,0,2]=4 2129 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-5162570273 [0,1,0,1,0,0|0,0,2]=4 2130 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-5488052558 [0,1,0,1,0,0|0,0,2]=4 2131 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-8240936495 [0,1,0,1,0,0|0,0,2]=4 2132 B7R1.19 NC1(CC1)C(=O)O MCULE-8718774934 [0,1,0,1,0,0|0,0,2]=4 2133 B7R1.19 NC1(CC1)C(=O)O MCULE-8788149299 [0,1,0,1,0,0|0,0,2]=4 2134 B7R1.22 COC(=O)C1CN1 MCULE-2166427972 [0,1,0,1,0,0|0,0,2]=4 2135 B7R1.22 COC(=O)[C@@H]1CN1 MCULE-1955059175 [0,1,0,1,0,0|0,0,2]=4 2136 B7R1.22 COC(=O)[C@@H]1CN1 MCULE-5011635876 [0,1,0,1,0,0|0,0,2]=4 2137 B7R1.22 COC(=O)[C@H]1CN1 MCULE-5882979938 [0,1,0,1,0,0|0,0,2]=4 2138 B7R1.22 COC(=O)[C@H]1CN1 MCULE-8601280412 [0,1,0,1,0,0|0,0,2]=4 2139 B7R0.6 C=C(Br)CCC(=O)O MCULE-5257916083 [0,0,0,0,0,2|1,0,0]=3 2140 B7R0.6 C=C(Br)CNC(=O)C MCULE-4123179812 [0,0,0,0,0,2|2,0,0]=4 2141 B7R0.6 C=C(C)CCC(=O)C MCULE-4201277876 [0,0,0,0,0,2|2,0,0]=4 2142 B7R0.6 C=C(C)CCC(=O)N MCULE-7602727888 [0,0,0,0,0,2|2,0,0]=4 2143 B7R0.6 C=C(C)CCC(=O)O MCULE-8738532812 [0,0,0,0,0,2|1,0,0]=3 2144 B7R0.6 C=C(C)COC(=O)C MCULE-7739945243 [0,0,0,0,0,2|2,0,0]=4 2145 B7R0.6 C=C(C)NCC(=O)O MCULE-6347105994 [0,0,0,0,0,2|1,0,0]=3 2146 B7R0.6 C=C(Cl)CCC(=O)O MCULE-8617886776 [0,0,0,0,0,2|1,0,0]=3 2147 B7R0.6 C=C(Cl)CSC(=O)C MCULE-4264447992 [0,0,0,0,0,2|2,0,0]=4 2148 B7R0.6 CC(=CCC(=O)O)C MCULE-2552993418 [0,0,0,0,0,2|1,0,1]=4 2149 B7R0.6 CC(=O)/C=C/C(=O)O MCULE-8768861026 [0,0,0,0,0,2|1,0,1]=4 2150 B7R0.6 CC(=O)C=CC(=O)O MCULE-6867353277 [0,0,0,0,0,2|1,0,1]=4 2151 B7R0.6 CC(=O)CCC(=O)N MCULE-8943258659 [0,0,0,0,0,2|2,0,0]=4 2152 B7R0.6 CC(=O)CCC(=O)O MCULE-1392778065 [0,0,0,0,0,2|1,0,1]=4 2153 B7R0.6 CC(=O)NCC(=O)N MCULE-7934502236 [0,0,0,0,0,2|2,0,0]=4 2154 B7R0.6 CC(=O)NCC(=O)O MCULE-5811325186 [0,0,0,0,0,2|1,0,1]=4 2155 B7R0.6 CC(=O)NNC(=S)N MCULE-4923078693 [0,0,0,0,0,2|2,0,0]=4 2156 B7R0.6 CC(=O)OCC(=O)O MCULE-6837320824 [0,0,0,0,0,2|1,0,1]=4 2157 B7R0.6 CC(=O)OCC(=S)N MCULE-7893306089 [0,0,0,0,0,2|2,0,0]=4 2158 B7R0.6 CC(=O)SCC(=O)O MCULE-1974657694 [0,0,0,0,0,2|1,0,1]=4 2159 B7R0.6 CC(=S)NCC(=O)O MCULE-9052571833 [0,0,0,0,0,2|1,0,1]=4 2160 B7R0.6 CC(N)CCC(=O)O MCULE-3711689460 [0,0,0,0,0,2|0,0,2]=4 2161 B7R0.6 CC(N)CCC(=O)O MCULE-5008572656 [0,0,0,0,0,2|0,0,2]=4 2162 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-3295260637 [0,0,0,0,0,2|0,0,2]=4 2163 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-5409083898 [0,0,0,0,0,2|0,0,2]=4 2164 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-6530230723 [0,0,0,0,0,2|0,0,2]=4 2165 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-7530095699 [0,0,0,0,0,2|0,0,2]=4 2166 B7R0.6 C[C@H](N)CCC(=O)O MCULE-3621527632 [0,0,0,0,0,2|0,0,2]=4 2167 B7R0.6 C[C@H](N)CCC(=O)O MCULE-7670557122 [0,0,0,0,0,2|0,0,2]=4 2168 B7R0.6 N=C(N)NCC(=O)O MCULE-8180759180 [0,0,0,0,0,2|1,0,0]=3 2169 B7R0.6 N=C(N)NCC(=O)O MCULE-8327589872 [0,0,0,0,0,2|1,0,0]=3 2170 B7R0.6 N=C(N)SCC(=O)N MCULE-5295318661 [0,0,0,0,0,2|2,0,0]=4 2171 B7R0.6 N=C(N)SCC(=O)N MCULE-9179434239 [0,0,0,0,0,2|2,0,0]=4 2172 B7R0.6 N=C(N)SCC(=O)O MCULE-2089510220 [0,0,0,0,0,2|1,0,0]=3 2173 B7R0.6 N=C(N)SCC(=O)O MCULE-3427937751 [0,0,0,0,0,2|1,0,0]=3 2174 B7R0.6 NC(=O)/C=C/C(=O)N MCULE-4395066945 [0,0,0,0,0,2|2,0,0]=4 2175 B7R0.6 NC(=O)/C=C/C(=O)O MCULE-4042951919 [0,0,0,0,0,2|1,0,0]=3 2176 B7R0.6 NC(=O)/C=C\C(=O)O MCULE-9066996879 [0,0,0,0,0,2|1,0,0]=3 2177 B7R0.6 NC(=O)/N=N/C(=O)N MCULE-4339161906 [0,0,0,0,0,2|2,0,0]=4 2178 B7R0.6 NC(=O)C#CC(=O)N MCULE-4585775503 [0,0,0,0,0,2|2,0,0]=4 2179 B7R0.6 NC(=O)C=CC(=O)N MCULE-6392282813 [0,0,0,0,0,2|2,0,0]=4 2180 B7R0.6 NC(=O)C=CC(=O)O MCULE-2401877342 [0,0,0,0,0,2|1,0,0]=3 2181 B7R0.6 NC(=O)CCC(=O)N MCULE-2107382817 [0,0,0,0,0,2|2,0,0]=4 2182 B7R0.6 NC(=O)CCC(=O)O MCULE-5813999826 [0,0,0,0,0,2|1,0,0]=3 2183 B7R0.6 NC(=O)CNC(=S)N MCULE-6504333241 [0,0,0,0,0,2|2,0,0]=4 2184 B7R0.6 NC(=O)N=NC(=O)N MCULE-2129487615 [0,0,0,0,0,2|2,0,0]=4 2185 B7R0.6 NC(=O)NCC(=O)O MCULE-7640310218 [0,0,0,0,0,2|1,0,0]=3 2186 B7R0.6 NC(=O)NNC(=O)N MCULE-1306740070 [0,0,0,0,0,2|2,0,0]=4 2187 B7R0.6 NC(=O)NNC(=S)N MCULE-4551414784 [0,0,0,0,0,2|2,0,0]=4 2188 B7R0.6 NC(=O)SCC(=O)O MCULE-2409074226 [0,0,0,0,0,2|1,0,0]=3 2189 B7R0.6 NC(=S)NCC(=O)O MCULE-7421473219 [0,0,0,0,0,2|1,0,0]=3 2190 B7R0.6 O=C(O)/C=C/C(=O)O MCULE-3549142744 [0,0,0,0,0,2|2,0,0]=4 2191 B7R0.6 O=C(O)/C=C/C(=O)O MCULE-5263906793 [0,0,0,0,0,2|2,0,0]=4 2192 B7R0.6 O=C(O)/C=C\C(=O)O MCULE-1113222985 [0,0,0,0,0,2|2,0,0]=4 2193 B7R0.6 O=C(O)C#CC(=O)O MCULE-3952041688 [0,0,0,0,0,2|2,0,0]=4 2194 B7R0.6 O=C(O)C=CC(=O)O MCULE-5329407890 [0,0,0,0,0,2|2,0,0]=4 2195 B7R0.6 O=C(O)C=CC(=O)O MCULE-7492596773 [0,0,0,0,0,2|2,0,0]=4 2196 B7R0.6 O=C(O)C=CC(=O)O MCULE-8076793268 [0,0,0,0,0,2|2,0,0]=4 2197 B7R0.6 O=C(O)C=CC(=O)O MCULE-9488315563 [0,0,0,0,0,2|2,0,0]=4 2198 B7R0.6 O=C(O)C=CC(=O)O MCULE-9920754312 [0,0,0,0,0,2|2,0,0]=4 2199 B7R0.6 O=C(O)CCC(=O)O MCULE-1233211613 [0,0,0,0,0,2|2,0,0]=4 2200 B7R0.6 O=C(O)CCC(=O)O MCULE-5889111640 [0,0,0,0,0,2|2,0,0]=4 2201 B7R0.6 O=C(O)N=NC(=O)O MCULE-6858626658 [0,0,0,0,0,2|2,0,0]=4 2202 B7R0.6 O=C([O-])C#CC(=O)O MCULE-8275918466 [0,0,0,0,0,2|2,0,0]=4 2203 B7R0.6 O=C([O-])CCC(=O)O MCULE-9149947862 [0,0,0,0,0,2|2,0,0]=4