0 B5R0.5 C=C(Br)C(=O)O MCULE-2068246942 [0,0,0,0,0,0|1,0,2]=3 1 B5R0.5 C=C(C)B(O)O MCULE-1381151629 [0,0,0,0,0,0|2,0,2]=4 2 B5R0.5 C=C(C)C(=C)C MCULE-6799765242 [0,0,0,0,0,0|3,0,1]=4 3 B5R0.5 C=C(C)C(=O)C MCULE-5872425076 [0,0,0,0,0,0|2,0,1]=3 4 B5R0.5 C=C(C)C(=O)Cl MCULE-9163474336 [0,0,0,0,0,0|2,0,1]=3 5 B5R0.5 C=C(C)C(=O)N MCULE-3416322097 [0,0,0,0,0,0|2,0,1]=3 6 B5R0.5 C=C(C)C(=O)O MCULE-9899621926 [0,0,0,0,0,0|1,0,1]=2 7 B5R0.5 C=C(C)C(=O)[O-] MCULE-5299174444 [0,0,0,0,0,0|1,0,2]=3 8 B5R0.5 C=C(C)C(=O)[O-] MCULE-7320418926 [0,0,0,0,0,0|1,0,2]=3 9 B5R0.5 C=C(C)C(=O)[O-] MCULE-7347881815 [0,0,0,0,0,0|1,0,2]=3 10 B5R0.5 C=C(C)C(C)C MCULE-2535284443 [0,0,0,0,0,0|3,0,0]=3 11 B5R0.5 C=C(C)C(C)Cl MCULE-5294924458 [0,0,0,0,0,0|3,0,0]=3 12 B5R0.5 C=C(C)C(C)O MCULE-3768810742 [0,0,0,0,0,0|2,0,0]=2 13 B5R0.5 C=C(C)C(Cl)Cl MCULE-4460311331 [0,0,0,0,0,0|4,0,0]=4 14 B5R0.5 C=C(C)C(Cl)Cl MCULE-5923487420 [0,0,0,0,0,0|4,0,0]=4 15 B5R0.5 C=C(Cl)C(=O)O MCULE-8316225208 [0,0,0,0,0,0|1,0,2]=3 16 B5R0.5 C=C(F)C(=O)Cl MCULE-6769824615 [0,0,0,0,0,0|2,0,2]=4 17 B5R0.5 C=C(F)C(=O)O MCULE-7137929861 [0,0,0,0,0,0|1,0,2]=3 18 B5R0.5 C=C(F)C(=O)[O-] MCULE-1806853701 [0,0,0,0,0,0|1,0,3]=4 19 B5R0.5 C=C(F)C(F)F MCULE-9790446391 [0,0,0,0,0,0|4,0,0]=4 20 B5R0.5 CC(=C(C)Br)C MCULE-2244219065 [0,0,0,0,0,0|3,0,1]=4 21 B5R0.5 CC(=C(C)C)C MCULE-2888318026 [0,0,0,0,0,0|3,0,1]=4 22 B5R0.5 CC(=O)C(=O)C MCULE-5742661187 [0,0,0,0,0,0|1,0,2]=3 23 B5R0.5 CC(=O)C(=O)Cl MCULE-3413498860 [0,0,0,0,0,0|1,0,2]=3 24 B5R0.5 CC(=O)C(=O)N MCULE-6804734996 [0,0,0,0,0,0|1,0,2]=3 25 B5R0.5 CC(=O)C(=O)O MCULE-8587144313 [0,0,0,0,0,0|0,0,2]=2 26 B5R0.5 CC(=O)C(=O)[O-] MCULE-2773521709 [0,0,0,0,0,0|0,0,3]=3 27 B5R0.5 CC(=O)C(=O)[O-] MCULE-7007482346 [0,0,0,0,0,0|0,0,3]=3 28 B5R0.5 CC(=O)C(=O)[O-] MCULE-8344520452 [0,0,0,0,0,0|0,0,3]=3 29 B5R0.5 CC(=O)C(=S)N MCULE-3142518834 [0,0,0,0,0,0|1,1,2]=4 30 B5R0.5 CC(=O)C(C)Br MCULE-3764525199 [0,0,0,0,0,0|2,0,0]=2 31 B5R0.5 CC(=O)C(C)C MCULE-5982732938 [0,0,0,0,0,0|2,0,0]=2 32 B5R0.5 CC(=O)C(C)Cl MCULE-5065840606 [0,0,0,0,0,0|2,0,0]=2 33 B5R0.5 CC(=O)C(C)F MCULE-2129925918 [0,0,0,0,0,0|2,0,0]=2 34 B5R0.5 CC(=O)C(C)N MCULE-5716124999 [0,0,0,0,0,0|2,0,0]=2 35 B5R0.5 CC(=O)C(C)N MCULE-9248002534 [0,0,0,0,0,0|2,0,0]=2 36 B5R0.5 CC(=O)C(C)O MCULE-5374414264 [0,0,0,0,0,0|1,0,0]=1 37 B5R0.5 CC(=O)C(C)S MCULE-2716722148 [0,0,0,0,0,0|1,1,0]=2 38 B5R0.5 CC(=O)C(Cl)Cl MCULE-9043899746 [0,0,0,0,0,0|3,0,0]=3 39 B5R0.5 CC(=O)C(F)F MCULE-9206168077 [0,0,0,0,0,0|3,0,0]=3 40 B5R0.5 CC(=O)N(C)C MCULE-4256511309 [0,0,0,0,0,0|3,0,0]=3 41 B5R0.5 CC(=O)N(C)N MCULE-2447375293 [0,0,0,0,0,0|3,0,0]=3 42 B5R0.5 CC(=O)[C@H](C)N MCULE-2609095078 [0,0,0,0,0,0|2,0,0]=2 43 B5R0.5 CC(=O)[C@H](C)N MCULE-6039921944 [0,0,0,0,0,0|2,0,0]=2 44 B5R0.5 CC(=O)[C@H](C)N MCULE-6387613992 [0,0,0,0,0,0|2,0,0]=2 45 B5R0.5 CC(=O)[C@H](C)N MCULE-7052375323 [0,0,0,0,0,0|2,0,0]=2 46 B5R0.5 CC(=S)N(C)C MCULE-6797990305 [0,0,0,0,0,0|3,1,0]=4 47 B5R0.5 CC(Br)C(=O)Br MCULE-2400047844 [0,0,0,0,0,0|2,0,0]=2 48 B5R0.5 CC(Br)C(=O)Cl MCULE-7431871683 [0,0,0,0,0,0|2,0,0]=2 49 B5R0.5 CC(Br)C(=O)N MCULE-9226586148 [0,0,0,0,0,0|2,0,0]=2 50 B5R0.5 CC(Br)C(=O)O MCULE-3935837943 [0,0,0,0,0,0|1,0,0]=1 51 B5R0.5 CC(Br)C(=O)O MCULE-6068441065 [0,0,0,0,0,0|1,0,0]=1 52 B5R0.5 CC(Br)C(C)Br MCULE-8272754345 [0,0,0,0,0,0|3,0,1]=4 53 B5R0.5 CC(Br)C(Cl)Br MCULE-8471336753 [0,0,0,0,0,0|3,0,1]=4 54 B5R0.5 CC(Br)C(Cl)Cl MCULE-1643063989 [0,0,0,0,0,0|3,0,1]=4 55 B5R0.5 CC(C)B(O)O MCULE-1255589444 [0,0,0,0,0,0|2,0,1]=3 56 B5R0.5 CC(C)C(=N)N MCULE-2464075086 [0,0,0,0,0,0|3,0,0]=3 57 B5R0.5 CC(C)C(=N)N MCULE-6743996580 [0,0,0,0,0,0|3,0,0]=3 58 B5R0.5 CC(C)C(=O)Br MCULE-3679003896 [0,0,0,0,0,0|2,0,0]=2 59 B5R0.5 CC(C)C(=O)Cl MCULE-6582236331 [0,0,0,0,0,0|2,0,0]=2 60 B5R0.5 CC(C)C(=O)N MCULE-9773835068 [0,0,0,0,0,0|2,0,0]=2 61 B5R0.5 CC(C)C(=O)O MCULE-7783770647 [0,0,0,0,0,0|1,0,0]=1 62 B5R0.5 CC(C)C(=O)S MCULE-9552406593 [0,0,0,0,0,0|1,1,0]=2 63 B5R0.5 CC(C)C(=S)N MCULE-3546856315 [0,0,0,0,0,0|2,1,0]=3 64 B5R0.5 CC(C)C(C)Br MCULE-8934980523 [0,0,0,0,0,0|3,0,1]=4 65 B5R0.5 CC(C)C(C)C MCULE-7887644548 [0,0,0,0,0,0|3,0,1]=4 66 B5R0.5 CC(C)C(C)I MCULE-7528764320 [0,0,0,0,0,0|3,0,1]=4 67 B5R0.5 CC(C)C(C)N MCULE-1630754475 [0,0,0,0,0,0|3,0,1]=4 68 B5R0.5 CC(C)C(C)N MCULE-1801901816 [0,0,0,0,0,0|3,0,1]=4 69 B5R0.5 CC(C)C(C)N MCULE-3544463874 [0,0,0,0,0,0|3,0,1]=4 70 B5R0.5 CC(C)C(C)N MCULE-4774844065 [0,0,0,0,0,0|3,0,1]=4 71 B5R0.5 CC(C)C(C)O MCULE-4829392845 [0,0,0,0,0,0|2,0,1]=3 72 B5R0.5 CC(C)C(C)S MCULE-7489203323 [0,0,0,0,0,0|2,1,1]=4 73 B5R0.5 CC(C)C(I)I MCULE-6684789578 [0,0,0,0,0,0|3,0,1]=4 74 B5R0.5 CC(C)N(=O)=O MCULE-8418443353 [0,0,0,0,0,0|2,0,1]=3 75 B5R0.5 CC(C)N(C)C MCULE-1993251030 [0,0,0,0,0,0|4,0,0]=4 76 B5R0.5 CC(C)S(=O)N MCULE-8425110407 [0,0,0,0,0,0|3,0,0]=3 77 B5R0.5 CC(C)S(=O)O MCULE-5200056082 [0,0,0,0,0,0|2,0,0]=2 78 B5R0.5 CC(C)S(=O)[O-] MCULE-2354817364 [0,0,0,0,0,0|2,0,1]=3 79 B5R0.5 CC(C)[C@@H](C)N MCULE-1953734886 [0,0,0,0,0,0|3,0,1]=4 80 B5R0.5 CC(C)[C@@H](C)N MCULE-3105334197 [0,0,0,0,0,0|3,0,1]=4 81 B5R0.5 CC(C)[C@@H](C)N MCULE-9470429569 [0,0,0,0,0,0|3,0,1]=4 82 B5R0.5 CC(C)[C@@H](C)O MCULE-3565458505 [0,0,0,0,0,0|2,0,1]=3 83 B5R0.5 CC(C)[C@H](C)N MCULE-2859174363 [0,0,0,0,0,0|3,0,1]=4 84 B5R0.5 CC(C)[C@H](C)N MCULE-3034457659 [0,0,0,0,0,0|3,0,1]=4 85 B5R0.5 CC(C)[C@H](C)N MCULE-5904658917 [0,0,0,0,0,0|3,0,1]=4 86 B5R0.5 CC(C)[C@H](C)O MCULE-1553214756 [0,0,0,0,0,0|2,0,1]=3 87 B5R0.5 CC(C)[C@H](C)O MCULE-8141633445 [0,0,0,0,0,0|2,0,1]=3 88 B5R0.5 CC(Cl)C(=N)N MCULE-2357555185 [0,0,0,0,0,0|3,0,0]=3 89 B5R0.5 CC(Cl)C(=N)N MCULE-5302250002 [0,0,0,0,0,0|3,0,0]=3 90 B5R0.5 CC(Cl)C(=O)Cl MCULE-6547241717 [0,0,0,0,0,0|2,0,0]=2 91 B5R0.5 CC(Cl)C(=O)N MCULE-5322078211 [0,0,0,0,0,0|2,0,0]=2 92 B5R0.5 CC(Cl)C(=O)O MCULE-3597230803 [0,0,0,0,0,0|1,0,0]=1 93 B5R0.5 CC(Cl)C(=O)O MCULE-5449120618 [0,0,0,0,0,0|1,0,0]=1 94 B5R0.5 CC(Cl)C(C)Cl MCULE-6954506926 [0,0,0,0,0,0|3,0,1]=4 95 B5R0.5 CC(Cl)C(Cl)Cl MCULE-1848161215 [0,0,0,0,0,0|3,0,1]=4 96 B5R0.5 CC(F)C(=O)O MCULE-7334922730 [0,0,0,0,0,0|1,0,0]=1 97 B5R0.5 CC(I)C(=O)N MCULE-8608495554 [0,0,0,0,0,0|2,0,0]=2 98 B5R0.5 CC(N)C(=O)N MCULE-1264398810 [0,0,0,0,0,0|2,0,0]=2 99 B5R0.5 CC(N)C(=O)N MCULE-2251123672 [0,0,0,0,0,0|2,0,0]=2 100 B5R0.5 CC(N)C(=O)N MCULE-2273926073 [0,0,0,0,0,0|2,0,0]=2 101 B5R0.5 CC(N)C(=O)N MCULE-5340923071 [0,0,0,0,0,0|2,0,0]=2 102 B5R0.5 CC(N)C(=O)N MCULE-6061233032 [0,0,0,0,0,0|2,0,0]=2 103 B5R0.5 CC(N)C(=O)N MCULE-9273221837 [0,0,0,0,0,0|2,0,0]=2 104 B5R0.5 CC(N)C(=O)O MCULE-3498369789 [0,0,0,0,0,0|1,0,0]=1 105 B5R0.5 CC(N)C(=O)O MCULE-3809839392 [0,0,0,0,0,0|1,0,0]=1 106 B5R0.5 CC(N)C(=O)O MCULE-4751903561 [0,0,0,0,0,0|1,0,0]=1 107 B5R0.5 CC(N)C(=O)O MCULE-6963397848 [0,0,0,0,0,0|1,0,0]=1 108 B5R0.5 CC(N)C(C)N MCULE-6724099648 [0,0,0,0,0,0|3,0,1]=4 109 B5R0.5 CC(N)C(C)O MCULE-3512899672 [0,0,0,0,0,0|2,0,1]=3 110 B5R0.5 CC(N)C(C)O MCULE-6286987696 [0,0,0,0,0,0|2,0,1]=3 111 B5R0.5 CC(N)C(F)F MCULE-5449346446 [0,0,0,0,0,0|3,0,1]=4 112 B5R0.5 CC(O)C(=N)N MCULE-4358846536 [0,0,0,0,0,0|2,0,0]=2 113 B5R0.5 CC(O)C(=N)N MCULE-5644516205 [0,0,0,0,0,0|2,0,0]=2 114 B5R0.5 CC(O)C(=O)N MCULE-6247123668 [0,0,0,0,0,0|1,0,0]=1 115 B5R0.5 CC(O)C(=O)N MCULE-7823792358 [0,0,0,0,0,0|1,0,0]=1 116 B5R0.5 CC(O)C(=O)O MCULE-3922256529 [0,0,0,0,0,0|0,0,0]=0 117 B5R0.5 CC(O)C(=O)O MCULE-5387110670 [0,0,0,0,0,0|0,0,0]=0 118 B5R0.5 CC(O)C(=O)[O-] MCULE-1056716990 [0,0,0,0,0,0|0,0,1]=1 119 B5R0.5 CC(O)C(=O)[O-] MCULE-8184872865 [0,0,0,0,0,0|0,0,1]=1 120 B5R0.5 CC(O)C(=O)[O-] MCULE-8730993694 [0,0,0,0,0,0|0,0,1]=1 121 B5R0.5 CC(O)C(C)Br MCULE-1140424623 [0,0,0,0,0,0|2,0,1]=3 122 B5R0.5 CC(O)C(C)Cl MCULE-3352632568 [0,0,0,0,0,0|2,0,1]=3 123 B5R0.5 CC(O)C(C)O MCULE-2858785316 [0,0,0,0,0,0|1,0,1]=2 124 B5R0.5 CC(O)C(C)S MCULE-3741743569 [0,0,0,0,0,0|1,1,1]=3 125 B5R0.5 CC(O)C(F)F MCULE-1258374037 [0,0,0,0,0,0|2,0,1]=3 126 B5R0.5 CC(S)C(=O)N MCULE-1465182001 [0,0,0,0,0,0|1,1,0]=2 127 B5R0.5 CC(S)C(=O)O MCULE-6944738352 [0,0,0,0,0,0|0,1,0]=1 128 B5R0.5 CC(S)C(C)S MCULE-3508721208 [0,0,0,0,0,0|1,2,1]=4 129 B5R0.5 CN(C)C(=N)N MCULE-6863213372 [0,0,0,0,0,0|4,0,0]=4 130 B5R0.5 CN(C)C(=N)N MCULE-7950775799 [0,0,0,0,0,0|4,0,0]=4 131 B5R0.5 CN(C)C(=N)N MCULE-8265374681 [0,0,0,0,0,0|4,0,0]=4 132 B5R0.5 CN(C)C(=N)N MCULE-9153833571 [0,0,0,0,0,0|4,0,0]=4 133 B5R0.5 CN(C)C(=O)Cl MCULE-1738506605 [0,0,0,0,0,0|3,0,0]=3 134 B5R0.5 CN(C)C(=O)N MCULE-3142720631 [0,0,0,0,0,0|3,0,0]=3 135 B5R0.5 CN(C)C(=O)O MCULE-1039144559 [0,0,0,0,0,0|2,0,0]=2 136 B5R0.5 CN(C)C(=O)[O-] MCULE-5405204721 [0,0,0,0,0,0|2,0,1]=3 137 B5R0.5 CN(C)C(=S)Cl MCULE-5232126468 [0,0,0,0,0,0|3,1,0]=4 138 B5R0.5 CN(C)C(=S)N MCULE-6937388954 [0,0,0,0,0,0|3,1,0]=4 139 B5R0.5 CN(C)C(=S)S MCULE-4296425055 [0,0,0,0,0,0|2,2,0]=4 140 B5R0.5 CN(C)C(=S)S MCULE-5159570847 [0,0,0,0,0,0|2,2,0]=4 141 B5R0.5 CN(C)C(=S)[S-] MCULE-6390941151 [0,0,0,0,0,0|2,2,0]=4 142 B5R0.5 CN(C)C(=S)[S-] MCULE-7709633048 [0,0,0,0,0,0|2,2,0]=4 143 B5R0.5 CN(N)C(=O)N MCULE-9114734246 [0,0,0,0,0,0|3,0,0]=3 144 B5R0.5 CN(N)C(=S)N MCULE-8674598291 [0,0,0,0,0,0|3,1,0]=4 145 B5R0.5 C[C@@H](Br)C(=O)O MCULE-8303539222 [0,0,0,0,0,0|1,0,0]=1 146 B5R0.5 C[C@@H](Br)C(=O)O MCULE-8530283309 [0,0,0,0,0,0|1,0,0]=1 147 B5R0.5 C[C@@H](Cl)C(=O)Cl MCULE-3579498695 [0,0,0,0,0,0|2,0,0]=2 148 B5R0.5 C[C@@H](Cl)C(=O)O MCULE-6578788045 [0,0,0,0,0,0|1,0,0]=1 149 B5R0.5 C[C@@H](Cl)C(=O)O MCULE-8314108697 [0,0,0,0,0,0|1,0,0]=1 150 B5R0.5 C[C@@H](F)C(=O)N MCULE-1505685009 [0,0,0,0,0,0|2,0,0]=2 151 B5R0.5 C[C@@H](N)C(=O)N MCULE-4677983549 [0,0,0,0,0,0|2,0,0]=2 152 B5R0.5 C[C@@H](N)C(=O)N MCULE-6112443507 [0,0,0,0,0,0|2,0,0]=2 153 B5R0.5 C[C@@H](N)C(=O)N MCULE-7940270709 [0,0,0,0,0,0|2,0,0]=2 154 B5R0.5 C[C@@H](N)C(=O)N MCULE-8482332558 [0,0,0,0,0,0|2,0,0]=2 155 B5R0.5 C[C@@H](N)C(=O)O MCULE-3571488623 [0,0,0,0,0,0|1,0,0]=1 156 B5R0.5 C[C@@H](N)C(=O)O MCULE-9756365751 [0,0,0,0,0,0|1,0,0]=1 157 B5R0.5 C[C@@H](N)C(F)F MCULE-3679161461 [0,0,0,0,0,0|3,0,1]=4 158 B5R0.5 C[C@@H](N)C(F)F MCULE-5068481064 [0,0,0,0,0,0|3,0,1]=4 159 B5R0.5 C[C@@H](N)[C@@H](C)N MCULE-5194916344 [0,0,0,0,0,0|3,0,1]=4 160 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-4537991630 [0,0,0,0,0,0|2,0,1]=3 161 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-5710552020 [0,0,0,0,0,0|2,0,1]=3 162 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-5951487868 [0,0,0,0,0,0|2,0,1]=3 163 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-8093543292 [0,0,0,0,0,0|2,0,1]=3 164 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-8196664475 [0,0,0,0,0,0|2,0,1]=3 165 B5R0.5 C[C@@H](O)C(=N)N MCULE-1498978023 [0,0,0,0,0,0|2,0,0]=2 166 B5R0.5 C[C@@H](O)C(=N)N MCULE-6124491136 [0,0,0,0,0,0|2,0,0]=2 167 B5R0.5 C[C@@H](O)C(=N)N MCULE-7410387081 [0,0,0,0,0,0|2,0,0]=2 168 B5R0.5 C[C@@H](O)C(=N)N MCULE-9566288141 [0,0,0,0,0,0|2,0,0]=2 169 B5R0.5 C[C@@H](O)C(=O)N MCULE-2026557726 [0,0,0,0,0,0|1,0,0]=1 170 B5R0.5 C[C@@H](O)C(=O)N MCULE-8056291801 [0,0,0,0,0,0|1,0,0]=1 171 B5R0.5 C[C@@H](O)C(=O)O MCULE-4625208788 [0,0,0,0,0,0|0,0,0]=0 172 B5R0.5 C[C@@H](O)C(=O)O MCULE-9141235095 [0,0,0,0,0,0|0,0,0]=0 173 B5R0.5 C[C@@H](O)C(=O)[O-] MCULE-5673591667 [0,0,0,0,0,0|0,0,1]=1 174 B5R0.5 C[C@@H](O)C(=O)[O-] MCULE-8146434340 [0,0,0,0,0,0|0,0,1]=1 175 B5R0.5 C[C@@H](O)C(=O)[O-] MCULE-9026662277 [0,0,0,0,0,0|0,0,1]=1 176 B5R0.5 C[C@@H](O)[C@@H](C)O MCULE-2843927827 [0,0,0,0,0,0|1,0,1]=2 177 B5R0.5 C[C@@H](O)[C@@H](C)O MCULE-3739961672 [0,0,0,0,0,0|1,0,1]=2 178 B5R0.5 C[C@@H](O)[C@@H](C)O MCULE-5488313047 [0,0,0,0,0,0|1,0,1]=2 179 B5R0.5 C[C@H](Br)C(=O)Cl MCULE-2960953088 [0,0,0,0,0,0|2,0,0]=2 180 B5R0.5 C[C@H](Br)C(=O)O MCULE-4788730445 [0,0,0,0,0,0|1,0,0]=1 181 B5R0.5 C[C@H](Br)C(=O)O MCULE-9354978281 [0,0,0,0,0,0|1,0,0]=1 182 B5R0.5 C[C@H](Br)[C@@H](C)Br MCULE-7263507123 [0,0,0,0,0,0|3,0,1]=4 183 B5R0.5 C[C@H](Cl)C(=O)O MCULE-4816831649 [0,0,0,0,0,0|1,0,0]=1 184 B5R0.5 C[C@H](Cl)C(=O)O MCULE-8389122613 [0,0,0,0,0,0|1,0,0]=1 185 B5R0.5 C[C@H](F)C(=O)N MCULE-7457242428 [0,0,0,0,0,0|2,0,0]=2 186 B5R0.5 C[C@H](N)C(=O)N MCULE-4716963408 [0,0,0,0,0,0|2,0,0]=2 187 B5R0.5 C[C@H](N)C(=O)N MCULE-6879702251 [0,0,0,0,0,0|2,0,0]=2 188 B5R0.5 C[C@H](N)C(=O)N MCULE-7090555441 [0,0,0,0,0,0|2,0,0]=2 189 B5R0.5 C[C@H](N)C(=O)N MCULE-7293369315 [0,0,0,0,0,0|2,0,0]=2 190 B5R0.5 C[C@H](N)C(=O)N MCULE-7341432132 [0,0,0,0,0,0|2,0,0]=2 191 B5R0.5 C[C@H](N)C(=O)N MCULE-7556063213 [0,0,0,0,0,0|2,0,0]=2 192 B5R0.5 C[C@H](N)C(=O)N MCULE-8320991932 [0,0,0,0,0,0|2,0,0]=2 193 B5R0.5 C[C@H](N)C(=O)N MCULE-8491573930 [0,0,0,0,0,0|2,0,0]=2 194 B5R0.5 C[C@H](N)C(=O)O MCULE-4916719758 [0,0,0,0,0,0|1,0,0]=1 195 B5R0.5 C[C@H](N)C(=O)O MCULE-5261590548 [0,0,0,0,0,0|1,0,0]=1 196 B5R0.5 C[C@H](N)C(=O)O MCULE-7791919887 [0,0,0,0,0,0|1,0,0]=1 197 B5R0.5 C[C@H](N)C(=O)O MCULE-8724854497 [0,0,0,0,0,0|1,0,0]=1 198 B5R0.5 C[C@H](N)[C@@H](C)O MCULE-6389040758 [0,0,0,0,0,0|2,0,1]=3 199 B5R0.5 C[C@H](N)[C@@H](C)O MCULE-7956913866 [0,0,0,0,0,0|2,0,1]=3 200 B5R0.5 C[C@H](N)[C@H](C)N MCULE-1560418234 [0,0,0,0,0,0|3,0,1]=4 201 B5R0.5 C[C@H](N)[C@H](C)O MCULE-1340338147 [0,0,0,0,0,0|2,0,1]=3 202 B5R0.5 C[C@H](N)[C@H](C)O MCULE-1738016964 [0,0,0,0,0,0|2,0,1]=3 203 B5R0.5 C[C@H](N)[C@H](C)O MCULE-2254798251 [0,0,0,0,0,0|2,0,1]=3 204 B5R0.5 C[C@H](N)[C@H](C)O MCULE-7688101680 [0,0,0,0,0,0|2,0,1]=3 205 B5R0.5 C[C@H](O)C(=O)N MCULE-8400190365 [0,0,0,0,0,0|1,0,0]=1 206 B5R0.5 C[C@H](O)C(=O)O MCULE-5695391344 [0,0,0,0,0,0|0,0,0]=0 207 B5R0.5 C[C@H](O)C(=O)O MCULE-8864689875 [0,0,0,0,0,0|0,0,0]=0 208 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-1034285072 [0,0,0,0,0,0|0,0,1]=1 209 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-3598405830 [0,0,0,0,0,0|0,0,1]=1 210 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-7525689298 [0,0,0,0,0,0|0,0,1]=1 211 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-8057429776 [0,0,0,0,0,0|0,0,1]=1 212 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-8729310894 [0,0,0,0,0,0|0,0,1]=1 213 B5R0.5 C[C@H](O)[C@@H](C)N MCULE-3776841970 [0,0,0,0,0,0|2,0,1]=3 214 B5R0.5 C[C@H](O)[C@@H](C)N MCULE-4906999918 [0,0,0,0,0,0|2,0,1]=3 215 B5R0.5 C[C@H](O)[C@@H](C)N MCULE-5860404631 [0,0,0,0,0,0|2,0,1]=3 216 B5R0.5 C[C@H](O)[C@@H](C)N MCULE-5888789996 [0,0,0,0,0,0|2,0,1]=3 217 B5R0.5 C[C@H](O)[C@@H](C)O MCULE-8389904530 [0,0,0,0,0,0|1,0,1]=2 218 B5R0.5 C[C@H](O)[C@H](C)O MCULE-8448870055 [0,0,0,0,0,0|1,0,1]=2 219 B5R0.5 C[C@H](O)[C@H](C)O MCULE-9615630900 [0,0,0,0,0,0|1,0,1]=2 220 B5R0.5 C[C@H](S)[C@@H](C)O MCULE-3347141817 [0,0,0,0,0,0|1,1,1]=3 221 B5R0.5 C[N+](=C(Cl)Cl)C MCULE-8024225536 [0,0,0,0,0,0|4,0,0]=4 222 B5R0.5 C[N+](=C(Cl)Cl)C MCULE-9306949257 [0,0,0,0,0,0|4,0,0]=4 223 B5R0.5 N=C(N)S(=O)O MCULE-7034022108 [0,0,0,0,0,0|3,0,1]=4 224 B5R0.5 NC(=O)C(=O)N MCULE-9024594322 [0,0,0,0,0,0|2,0,2]=4 225 B5R0.5 NC(=O)C(=O)O MCULE-4442165428 [0,0,0,0,0,0|1,0,2]=3 226 B5R0.5 NC(=O)C(=O)[O-] MCULE-6520154385 [0,0,0,0,0,0|1,0,3]=4 227 B5R0.5 NC(=O)C(=O)[O-] MCULE-9489956613 [0,0,0,0,0,0|1,0,3]=4 228 B5R0.5 NC(=O)C(Cl)Br MCULE-9082770089 [0,0,0,0,0,0|3,0,0]=3 229 B5R0.5 NC(=O)C(Cl)Cl MCULE-3389337354 [0,0,0,0,0,0|3,0,0]=3 230 B5R0.5 NC(=O)C(F)Br MCULE-8795303515 [0,0,0,0,0,0|3,0,0]=3 231 B5R0.5 NC(=O)C(F)Cl MCULE-4267127037 [0,0,0,0,0,0|3,0,0]=3 232 B5R0.5 NC(=O)C(F)F MCULE-7881392368 [0,0,0,0,0,0|3,0,0]=3 233 B5R0.5 NC(=O)C(F)I MCULE-6067421301 [0,0,0,0,0,0|3,0,0]=3 234 B5R0.5 NC(=S)C(F)F MCULE-3511485569 [0,0,0,0,0,0|3,1,0]=4 235 B5R0.5 NC(O)C(=O)O MCULE-6546070388 [0,0,0,0,0,0|1,0,0]=1 236 B5R0.5 O=C(Br)C(=O)Br MCULE-6502494359 [0,0,0,0,0,0|2,0,2]=4 237 B5R0.5 O=C(Cl)C(=O)Cl MCULE-7263932124 [0,0,0,0,0,0|2,0,2]=4 238 B5R0.5 O=C(Cl)C(Cl)Cl MCULE-2883143305 [0,0,0,0,0,0|3,0,0]=3 239 B5R0.5 O=C(Cl)C(F)Cl MCULE-1579940277 [0,0,0,0,0,0|3,0,0]=3 240 B5R0.5 O=C(Cl)C(F)F MCULE-6700400389 [0,0,0,0,0,0|3,0,0]=3 241 B5R0.5 O=C(F)C(F)F MCULE-6722746663 [0,0,0,0,0,0|3,0,0]=3 242 B5R0.5 O=C(O)C(=O)O MCULE-2859436444 [0,0,0,0,0,0|1,0,1]=2 243 B5R0.5 O=C(O)C(=O)O MCULE-3054574273 [0,0,0,0,0,0|1,0,1]=2 244 B5R0.5 O=C(O)C(=O)O MCULE-4285591204 [0,0,0,0,0,0|1,0,1]=2 245 B5R0.5 O=C(O)C(=O)O MCULE-4461843798 [0,0,0,0,0,0|1,0,1]=2 246 B5R0.5 O=C(O)C(=O)O MCULE-6031758101 [0,0,0,0,0,0|1,0,1]=2 247 B5R0.5 O=C(O)C(=O)O MCULE-6647815245 [0,0,0,0,0,0|1,0,1]=2 248 B5R0.5 O=C(O)C(=O)O MCULE-7895971003 [0,0,0,0,0,0|1,0,1]=2 249 B5R0.5 O=C(O)C(=O)O MCULE-8046063377 [0,0,0,0,0,0|1,0,1]=2 250 B5R0.5 O=C(O)C(=O)O MCULE-8198551041 [0,0,0,0,0,0|1,0,1]=2 251 B5R0.5 O=C(O)C(=O)O MCULE-8472527874 [0,0,0,0,0,0|1,0,1]=2 252 B5R0.5 O=C(O)C(=O)O MCULE-9701145416 [0,0,0,0,0,0|1,0,1]=2 253 B5R0.5 O=C(O)C(Br)Br MCULE-4908900588 [0,0,0,0,0,0|2,0,0]=2 254 B5R0.5 O=C(O)C(Cl)Br MCULE-4569127340 [0,0,0,0,0,0|2,0,0]=2 255 B5R0.5 O=C(O)C(Cl)Cl MCULE-1246638159 [0,0,0,0,0,0|2,0,0]=2 256 B5R0.5 O=C(O)C(F)Br MCULE-5639771935 [0,0,0,0,0,0|2,0,0]=2 257 B5R0.5 O=C(O)C(F)Cl MCULE-8791727704 [0,0,0,0,0,0|2,0,0]=2 258 B5R0.5 O=C(O)C(F)F MCULE-9791449975 [0,0,0,0,0,0|2,0,0]=2 259 B5R0.5 O=C(O)C(F)I MCULE-2596137309 [0,0,0,0,0,0|2,0,0]=2 260 B5R0.5 O=C(O)C(O)O MCULE-8045135900 [0,0,0,0,0,0|1,0,0]=1 261 B5R0.5 O=C(O)[C@@H](F)Cl MCULE-9934674808 [0,0,0,0,0,0|2,0,0]=2 262 B5R0.5 O=C(O)[C@H](F)Cl MCULE-8184552815 [0,0,0,0,0,0|2,0,0]=2 263 B5R0.5 O=C([O-])C(=O)[O-] MCULE-1850167183 [0,0,0,0,0,0|1,0,3]=4 264 B5R0.5 O=C([O-])C(=O)[O-] MCULE-2102182772 [0,0,0,0,0,0|1,0,3]=4 265 B5R0.5 O=C([O-])C(=O)[O-] MCULE-2594600365 [0,0,0,0,0,0|1,0,3]=4 266 B5R0.5 O=C([O-])C(=O)[O-] MCULE-2876490980 [0,0,0,0,0,0|1,0,3]=4 267 B5R0.5 O=C([O-])C(=O)[O-] MCULE-4875218588 [0,0,0,0,0,0|1,0,3]=4 268 B5R0.5 O=C([O-])C(=O)[O-] MCULE-6598296804 [0,0,0,0,0,0|1,0,3]=4 269 B5R0.5 O=C([O-])C(=O)[O-] MCULE-6729461006 [0,0,0,0,0,0|1,0,3]=4 270 B5R0.5 O=C([O-])C(=O)[O-] MCULE-7607695802 [0,0,0,0,0,0|1,0,3]=4 271 B5R0.5 O=C([O-])C(F)Br MCULE-3214706920 [0,0,0,0,0,0|2,0,1]=3 272 B5R0.5 O=C([O-])C(F)Cl MCULE-6121365584 [0,0,0,0,0,0|2,0,1]=3 273 B5R0.5 O=C([O-])C(F)I MCULE-5263796115 [0,0,0,0,0,0|2,0,1]=3 274 B5R0.5 O=N(=O)C(Cl)Br MCULE-5560350736 [0,0,0,0,0,0|3,0,1]=4 275 B5R0.5 O=S(O)C(F)F MCULE-6110273161 [0,0,0,0,0,0|3,0,0]=3 276 B5R0.5 O=S([O-])C(F)F MCULE-8715967503 [0,0,0,0,0,0|3,0,1]=4 277 B5R0.5 OB(O)B(O)O MCULE-4651285370 [0,0,0,0,0,0|3,0,1]=4 278 B5R0.5 OC(O)C(Cl)Cl MCULE-3363992346 [0,0,0,0,0,0|2,0,2]=4 279 B5R0.5 [C@@H](C)(O)C(=O)N MCULE-6953360641 [0,0,0,0,0,0|1,0,0]=1 280 B5R0.5 [NH2+]=C(Cl)N(C)C MCULE-1016641329 [0,0,0,0,0,0|4,0,0]=4 281 B5R0.5 [NH2+]=C(Cl)N(C)C MCULE-1067760866 [0,0,0,0,0,0|4,0,0]=4 282 B5R0.5 [NH3+]C(C)C(C)[NH3+] MCULE-4215582247 [0,0,0,0,0,0|3,0,1]=4 283 B4R0.1 C#CC(=O)C MCULE-1296030711 [1,0,0,0,0,0|1,0,2]=4 284 B4R0.1 C#CC(=O)N MCULE-1832868146 [1,0,0,0,0,0|1,0,2]=4 285 B4R0.1 C#CC(=O)O MCULE-8764256624 [1,0,0,0,0,0|0,0,2]=3 286 B4R0.1 C#CC(=O)[O-] MCULE-3356498679 [1,0,0,0,0,0|0,0,3]=4 287 B4R0.1 C#CC(=O)[O-] MCULE-3490087346 [1,0,0,0,0,0|0,0,3]=4 288 B4R0.1 C#CC(C)Br MCULE-6701225038 [1,0,0,0,0,0|2,0,1]=4 289 B4R0.1 C#CC(C)C MCULE-4600802925 [1,0,0,0,0,0|2,0,1]=4 290 B4R0.1 C#CC(C)Cl MCULE-2069451312 [1,0,0,0,0,0|2,0,1]=4 291 B4R0.1 C#CC(C)N MCULE-5174459541 [1,0,0,0,0,0|2,0,1]=4 292 B4R0.1 C#CC(C)N MCULE-7552261137 [1,0,0,0,0,0|2,0,1]=4 293 B4R0.1 C#CC(C)N MCULE-8458008104 [1,0,0,0,0,0|2,0,1]=4 294 B4R0.1 C#CC(C)N MCULE-8872781976 [1,0,0,0,0,0|2,0,1]=4 295 B4R0.1 C#CC(C)O MCULE-6692690957 [1,0,0,0,0,0|1,0,1]=3 296 B4R0.1 C#CC(C)O MCULE-8115962170 [1,0,0,0,0,0|1,0,1]=3 297 B4R0.1 C#C[C@@H](C)N MCULE-1688945745 [1,0,0,0,0,0|2,0,1]=4 298 B4R0.1 C#C[C@@H](C)N MCULE-2648127023 [1,0,0,0,0,0|2,0,1]=4 299 B4R0.1 C#C[C@@H](C)N MCULE-4450167680 [1,0,0,0,0,0|2,0,1]=4 300 B4R0.1 C#C[C@@H](C)N MCULE-5940189329 [1,0,0,0,0,0|2,0,1]=4 301 B4R0.1 C#C[C@@H](C)O MCULE-3014030718 [1,0,0,0,0,0|1,0,1]=3 302 B4R0.1 C#C[C@@H](C)O MCULE-5925379513 [1,0,0,0,0,0|1,0,1]=3 303 B4R0.1 C#C[C@H](C)N MCULE-1256303297 [1,0,0,0,0,0|2,0,1]=4 304 B4R0.1 C#C[C@H](C)N MCULE-4223264163 [1,0,0,0,0,0|2,0,1]=4 305 B4R0.1 C#C[C@H](C)N MCULE-9450573338 [1,0,0,0,0,0|2,0,1]=4 306 B4R0.1 C#C[C@H](C)N MCULE-9795039145 [1,0,0,0,0,0|2,0,1]=4 307 B4R0.1 C#C[C@H](C)O MCULE-3264536845 [1,0,0,0,0,0|1,0,1]=3 308 B4R0.1 C(C)(N)CN MCULE-5877041140 [1,0,0,0,0,0|2,0,1]=4 309 B4R0.1 C(C)(N)CO MCULE-5844242932 [1,0,0,0,0,0|1,0,1]=3 310 B4R0.1 C/C(=N/O)/N MCULE-5595239824 [1,0,0,0,0,0|2,0,1]=4 311 B4R0.1 C/C(=N\O)/N MCULE-8004142092 [1,0,0,0,0,0|2,0,1]=4 312 B4R0.1 C/C=C(/C)\Cl MCULE-6841426098 [1,0,0,0,0,0|2,0,1]=4 313 B4R0.1 C/C=C(\C)/Br MCULE-3045523462 [1,0,0,0,0,0|2,0,1]=4 314 B4R0.1 C/C=C(\C)/Cl MCULE-4683862502 [1,0,0,0,0,0|2,0,1]=4 315 B4R0.1 C=C(Br)C=O MCULE-9500973388 [1,0,0,0,0,0|1,0,2]=4 316 B4R0.1 C=C(Br)CBr MCULE-1222617820 [1,0,0,0,0,0|3,0,0]=4 317 B4R0.1 C=C(Br)CC MCULE-6271946451 [1,0,0,0,0,0|2,0,0]=3 318 B4R0.1 C=C(Br)CN MCULE-1170417597 [1,0,0,0,0,0|3,0,0]=4 319 B4R0.1 C=C(Br)CN MCULE-9190049156 [1,0,0,0,0,0|3,0,0]=4 320 B4R0.1 C=C(Br)CO MCULE-7763893047 [1,0,0,0,0,0|2,0,0]=3 321 B4R0.1 C=C(C)C=O MCULE-3758355501 [1,0,0,0,0,0|1,0,1]=3 322 B4R0.1 C=C(C)CBr MCULE-1361893863 [1,0,0,0,0,0|3,0,0]=4 323 B4R0.1 C=C(C)CCl MCULE-5586406339 [1,0,0,0,0,0|3,0,0]=4 324 B4R0.1 C=C(C)CI MCULE-3678124406 [1,0,0,0,0,0|3,0,0]=4 325 B4R0.1 C=C(C)CN MCULE-1033495975 [1,0,0,0,0,0|3,0,0]=4 326 B4R0.1 C=C(C)CN MCULE-8730181300 [1,0,0,0,0,0|3,0,0]=4 327 B4R0.1 C=C(C)CO MCULE-8641288398 [1,0,0,0,0,0|2,0,0]=3 328 B4R0.1 C=C(C)CS MCULE-5174170431 [1,0,0,0,0,0|2,1,0]=4 329 B4R0.1 C=C(C)OC MCULE-7344104255 [1,0,0,0,0,0|3,0,0]=4 330 B4R0.1 C=C(Cl)CBr MCULE-9398157024 [1,0,0,0,0,0|3,0,0]=4 331 B4R0.1 C=C(Cl)CCl MCULE-4210429118 [1,0,0,0,0,0|3,0,0]=4 332 B4R0.1 C=C(Cl)CI MCULE-1908004565 [1,0,0,0,0,0|3,0,0]=4 333 B4R0.1 C=C(Cl)CN MCULE-2159410121 [1,0,0,0,0,0|3,0,0]=4 334 B4R0.1 C=C(Cl)CN MCULE-3454023553 [1,0,0,0,0,0|3,0,0]=4 335 B4R0.1 C=C(Cl)CO MCULE-8813337564 [1,0,0,0,0,0|2,0,0]=3 336 B4R0.1 C=C(F)CBr MCULE-6528430141 [1,0,0,0,0,0|3,0,0]=4 337 B4R0.1 C=C(F)CCl MCULE-4499400030 [1,0,0,0,0,0|3,0,0]=4 338 B4R0.1 C=C(F)CN MCULE-1603171858 [1,0,0,0,0,0|3,0,0]=4 339 B4R0.1 C=C(F)CN MCULE-3878727292 [1,0,0,0,0,0|3,0,0]=4 340 B4R0.1 C=C(F)CO MCULE-2779963696 [1,0,0,0,0,0|2,0,0]=3 341 B4R0.1 C=C(I)CO MCULE-2533897125 [1,0,0,0,0,0|2,0,0]=3 342 B4R0.1 C=CB(O)O MCULE-2531600001 [1,0,0,0,0,0|3,0,0]=4 343 B4R0.1 C=CC(=C)C MCULE-1668999564 [1,0,0,0,0,0|2,0,1]=4 344 B4R0.1 C=CC(=O)C MCULE-4924646293 [1,0,0,0,0,0|1,0,2]=4 345 B4R0.1 C=CC(=O)Cl MCULE-3579233798 [1,0,0,0,0,0|1,0,2]=4 346 B4R0.1 C=CC(=O)N MCULE-4309430654 [1,0,0,0,0,0|1,0,2]=4 347 B4R0.1 C=CC(=O)O MCULE-9352227082 [1,0,0,0,0,0|0,0,2]=3 348 B4R0.1 C=CC(=O)[O-] MCULE-3928960314 [1,0,0,0,0,0|0,0,3]=4 349 B4R0.1 C=CC(=O)[O-] MCULE-4331301308 [1,0,0,0,0,0|0,0,3]=4 350 B4R0.1 C=CC(=O)[O-] MCULE-5516854555 [1,0,0,0,0,0|0,0,3]=4 351 B4R0.1 C=CC(C)Cl MCULE-1756172983 [1,0,0,0,0,0|2,0,0]=3 352 B4R0.1 C=CC(C)N MCULE-5748048106 [1,0,0,0,0,0|2,0,0]=3 353 B4R0.1 C=CC(C)N MCULE-6786590923 [1,0,0,0,0,0|2,0,0]=3 354 B4R0.1 C=CC(C)O MCULE-4525368256 [1,0,0,0,0,0|1,0,0]=2 355 B4R0.1 C=C[C@@H](C)N MCULE-4388444035 [1,0,0,0,0,0|2,0,0]=3 356 B4R0.1 C=C[C@@H](C)N MCULE-6107415849 [1,0,0,0,0,0|2,0,0]=3 357 B4R0.1 C=C[C@@H](C)N MCULE-6707490046 [1,0,0,0,0,0|2,0,0]=3 358 B4R0.1 C=C[C@@H](C)N MCULE-9654995108 [1,0,0,0,0,0|2,0,0]=3 359 B4R0.1 C=C[C@H](C)N MCULE-1396113041 [1,0,0,0,0,0|2,0,0]=3 360 B4R0.1 C=C[C@H](C)N MCULE-2197513722 [1,0,0,0,0,0|2,0,0]=3 361 B4R0.1 C=C[C@H](C)N MCULE-4698235480 [1,0,0,0,0,0|2,0,0]=3 362 B4R0.1 C=C[C@H](C)N MCULE-8745929233 [1,0,0,0,0,0|2,0,0]=3 363 B4R0.1 C=C[C@H](C)O MCULE-2251589245 [1,0,0,0,0,0|1,0,0]=2 364 B4R0.1 CC(=CBr)C MCULE-9508381610 [1,0,0,0,0,0|2,0,1]=4 365 B4R0.1 CC(=CCl)C MCULE-4321554138 [1,0,0,0,0,0|2,0,1]=4 366 B4R0.1 CC(=CCl)Cl MCULE-3528888685 [1,0,0,0,0,0|2,0,1]=4 367 B4R0.1 CC(=NO)C MCULE-3243100216 [1,0,0,0,0,0|2,0,1]=4 368 B4R0.1 CC(=O)C#N MCULE-6317771757 [1,0,0,0,0,0|2,0,1]=4 369 B4R0.1 CC(=O)C=O MCULE-2718961814 [1,0,0,0,0,0|0,0,2]=3 370 B4R0.1 CC(=O)CBr MCULE-7812920675 [1,0,0,0,0,0|2,0,0]=3 371 B4R0.1 CC(=O)CCl MCULE-2501365933 [1,0,0,0,0,0|2,0,0]=3 372 B4R0.1 CC(=O)CF MCULE-7417279999 [1,0,0,0,0,0|2,0,0]=3 373 B4R0.1 CC(=O)CN MCULE-2715277783 [1,0,0,0,0,0|2,0,0]=3 374 B4R0.1 CC(=O)CN MCULE-6004541862 [1,0,0,0,0,0|2,0,0]=3 375 B4R0.1 CC(=O)CO MCULE-2989526028 [1,0,0,0,0,0|1,0,0]=2 376 B4R0.1 CC(=O)CS MCULE-9736174016 [1,0,0,0,0,0|1,1,0]=3 377 B4R0.1 CC(=O)NBr MCULE-6502070876 [1,0,0,0,0,0|3,0,0]=4 378 B4R0.1 CC(=O)NN MCULE-9183467120 [1,0,0,0,0,0|3,0,0]=4 379 B4R0.1 CC(=O)NO MCULE-2682231025 [1,0,0,0,0,0|2,0,0]=3 380 B4R0.1 CC(=O)OO MCULE-6028338742 [1,0,0,0,0,0|2,0,0]=3 381 B4R0.1 CC(Br)C#N MCULE-2994851090 [1,0,0,0,0,0|2,0,1]=4 382 B4R0.1 CC(Br)C=O MCULE-6060704330 [1,0,0,0,0,0|1,0,0]=2 383 B4R0.1 CC(Br)CBr MCULE-6304574748 [1,0,0,0,0,0|2,0,1]=4 384 B4R0.1 CC(Br)CCl MCULE-8021380791 [1,0,0,0,0,0|2,0,1]=4 385 B4R0.1 CC(Br)CN MCULE-5214613046 [1,0,0,0,0,0|2,0,1]=4 386 B4R0.1 CC(Br)CN MCULE-6326218362 [1,0,0,0,0,0|2,0,1]=4 387 B4R0.1 CC(Br)CO MCULE-8344365003 [1,0,0,0,0,0|1,0,1]=3 388 B4R0.1 CC(C)C#N MCULE-8390118776 [1,0,0,0,0,0|2,0,1]=4 389 B4R0.1 CC(C)C=O MCULE-3575731904 [1,0,0,0,0,0|1,0,0]=2 390 B4R0.1 CC(C)CBr MCULE-6039420480 [1,0,0,0,0,0|2,0,1]=4 391 B4R0.1 CC(C)CCl MCULE-6524976746 [1,0,0,0,0,0|2,0,1]=4 392 B4R0.1 CC(C)CI MCULE-5280589461 [1,0,0,0,0,0|2,0,1]=4 393 B4R0.1 CC(C)CN MCULE-2158650588 [1,0,0,0,0,0|2,0,1]=4 394 B4R0.1 CC(C)CN MCULE-6751437658 [1,0,0,0,0,0|2,0,1]=4 395 B4R0.1 CC(C)CN MCULE-8319193456 [1,0,0,0,0,0|2,0,1]=4 396 B4R0.1 CC(C)CN MCULE-8705657065 [1,0,0,0,0,0|2,0,1]=4 397 B4R0.1 CC(C)CO MCULE-6294327194 [1,0,0,0,0,0|1,0,1]=3 398 B4R0.1 CC(C)CP MCULE-3724358658 [1,0,0,0,0,0|2,0,1]=4 399 B4R0.1 CC(C)CS MCULE-7978911055 [1,0,0,0,0,0|1,1,1]=4 400 B4R0.1 CC(C)NN MCULE-4673953224 [1,0,0,0,0,0|3,0,0]=4 401 B4R0.1 CC(C)NN MCULE-7901160798 [1,0,0,0,0,0|3,0,0]=4 402 B4R0.1 CC(C)NN MCULE-9473118288 [1,0,0,0,0,0|3,0,0]=4 403 B4R0.1 CC(C)NO MCULE-6516566403 [1,0,0,0,0,0|2,0,0]=3 404 B4R0.1 CC(C)NO MCULE-8545146035 [1,0,0,0,0,0|2,0,0]=3 405 B4R0.1 CC(C)ON MCULE-4063407094 [1,0,0,0,0,0|3,0,0]=4 406 B4R0.1 CC(C)ON MCULE-9108231771 [1,0,0,0,0,0|3,0,0]=4 407 B4R0.1 CC(C)O[NH3+] MCULE-7527132972 [1,0,0,0,0,0|3,0,0]=4 408 B4R0.1 CC(C)O[NH3+] MCULE-8847326857 [1,0,0,0,0,0|3,0,0]=4 409 B4R0.1 CC(Cl)C#N MCULE-9841634909 [1,0,0,0,0,0|2,0,1]=4 410 B4R0.1 CC(Cl)CBr MCULE-8474943880 [1,0,0,0,0,0|2,0,1]=4 411 B4R0.1 CC(Cl)CCl MCULE-1548912109 [1,0,0,0,0,0|2,0,1]=4 412 B4R0.1 CC(Cl)CN MCULE-2637316379 [1,0,0,0,0,0|2,0,1]=4 413 B4R0.1 CC(Cl)CN MCULE-5591419030 [1,0,0,0,0,0|2,0,1]=4 414 B4R0.1 CC(Cl)CO MCULE-3857255988 [1,0,0,0,0,0|1,0,1]=3 415 B4R0.1 CC(Cl)CO MCULE-7538548427 [1,0,0,0,0,0|1,0,1]=3 416 B4R0.1 CC(F)CN MCULE-6584490651 [1,0,0,0,0,0|2,0,1]=4 417 B4R0.1 CC(F)CN MCULE-9499916116 [1,0,0,0,0,0|2,0,1]=4 418 B4R0.1 CC(F)CO MCULE-6006763378 [1,0,0,0,0,0|1,0,1]=3 419 B4R0.1 CC(N)C#N MCULE-4008524363 [1,0,0,0,0,0|2,0,1]=4 420 B4R0.1 CC(N)C#N MCULE-8654767875 [1,0,0,0,0,0|2,0,1]=4 421 B4R0.1 CC(N)C=O MCULE-3421118418 [1,0,0,0,0,0|1,0,0]=2 422 B4R0.1 CC(N)CBr MCULE-1783493149 [1,0,0,0,0,0|2,0,1]=4 423 B4R0.1 CC(N)CBr MCULE-2775398297 [1,0,0,0,0,0|2,0,1]=4 424 B4R0.1 CC(N)CCl MCULE-8652434595 [1,0,0,0,0,0|2,0,1]=4 425 B4R0.1 CC(N)CCl MCULE-9580466630 [1,0,0,0,0,0|2,0,1]=4 426 B4R0.1 CC(N)CF MCULE-1603143200 [1,0,0,0,0,0|2,0,1]=4 427 B4R0.1 CC(N)CF MCULE-3787216870 [1,0,0,0,0,0|2,0,1]=4 428 B4R0.1 CC(N)CF MCULE-4138869746 [1,0,0,0,0,0|2,0,1]=4 429 B4R0.1 CC(N)CF MCULE-8611760275 [1,0,0,0,0,0|2,0,1]=4 430 B4R0.1 CC(N)CN MCULE-2119036110 [1,0,0,0,0,0|2,0,1]=4 431 B4R0.1 CC(N)CN MCULE-6286216576 [1,0,0,0,0,0|2,0,1]=4 432 B4R0.1 CC(N)CN MCULE-9919433465 [1,0,0,0,0,0|2,0,1]=4 433 B4R0.1 CC(N)CO MCULE-1361379423 [1,0,0,0,0,0|1,0,1]=3 434 B4R0.1 CC(N)CO MCULE-2098440985 [1,0,0,0,0,0|1,0,1]=3 435 B4R0.1 CC(N)CS MCULE-1396853557 [1,0,0,0,0,0|1,1,1]=4 436 B4R0.1 CC(N)CS MCULE-4094732666 [1,0,0,0,0,0|1,1,1]=4 437 B4R0.1 CC(O)C#N MCULE-3166802314 [1,0,0,0,0,0|1,0,1]=3 438 B4R0.1 CC(O)CBr MCULE-7835094737 [1,0,0,0,0,0|1,0,1]=3 439 B4R0.1 CC(O)CCl MCULE-9140807958 [1,0,0,0,0,0|1,0,1]=3 440 B4R0.1 CC(O)CF MCULE-1023052065 [1,0,0,0,0,0|1,0,1]=3 441 B4R0.1 CC(O)CN MCULE-4370440652 [1,0,0,0,0,0|1,0,1]=3 442 B4R0.1 CC(O)CN MCULE-5694317743 [1,0,0,0,0,0|1,0,1]=3 443 B4R0.1 CC(O)CN MCULE-6406041538 [1,0,0,0,0,0|1,0,1]=3 444 B4R0.1 CC(O)CN MCULE-6636652305 [1,0,0,0,0,0|1,0,1]=3 445 B4R0.1 CC(O)CO MCULE-5574440784 [1,0,0,0,0,0|0,0,1]=2 446 B4R0.1 CC(O)CO MCULE-8743139013 [1,0,0,0,0,0|0,0,1]=2 447 B4R0.1 CC(O)CS MCULE-7881083356 [1,0,0,0,0,0|0,1,1]=3 448 B4R0.1 CC(O)C[NH3+] MCULE-6871369474 [1,0,0,0,0,0|1,0,1]=3 449 B4R0.1 CC(S)CN MCULE-1957568322 [1,0,0,0,0,0|1,1,1]=4 450 B4R0.1 CC(S)CN MCULE-7469442412 [1,0,0,0,0,0|1,1,1]=4 451 B4R0.1 CC(S)CO MCULE-5090908062 [1,0,0,0,0,0|0,1,1]=3 452 B4R0.1 CC(S)CS MCULE-9264694858 [1,0,0,0,0,0|0,2,1]=4 453 B4R0.1 CC=C(C)Br MCULE-1371905211 [1,0,0,0,0,0|2,0,1]=4 454 B4R0.1 CC=C(C)C MCULE-4230157245 [1,0,0,0,0,0|2,0,1]=4 455 B4R0.1 CC=C(C)Cl MCULE-3844314543 [1,0,0,0,0,0|2,0,1]=4 456 B4R0.1 CC=C(Cl)Cl MCULE-3741261135 [1,0,0,0,0,0|2,0,1]=4 457 B4R0.1 CC=C(F)F MCULE-5544510852 [1,0,0,0,0,0|2,0,1]=4 458 B4R0.1 CCB(O)O MCULE-1650960999 [1,0,0,0,0,0|1,0,1]=3 459 B4R0.1 CCC(=N)N MCULE-1856575742 [1,0,0,0,0,0|2,0,0]=3 460 B4R0.1 CCC(=N)N MCULE-2534386807 [1,0,0,0,0,0|2,0,0]=3 461 B4R0.1 CCC(=O)Br MCULE-7870678619 [1,0,0,0,0,0|1,0,0]=2 462 B4R0.1 CCC(=O)C MCULE-8276670748 [1,0,0,0,0,0|1,0,0]=2 463 B4R0.1 CCC(=O)Cl MCULE-3081874391 [1,0,0,0,0,0|1,0,0]=2 464 B4R0.1 CCC(=O)F MCULE-8783887670 [1,0,0,0,0,0|1,0,0]=2 465 B4R0.1 CCC(=O)N MCULE-3730796130 [1,0,0,0,0,0|1,0,0]=2 466 B4R0.1 CCC(=O)O MCULE-2199051150 [1,0,0,0,0,0|0,0,0]=1 467 B4R0.1 CCC(=O)O MCULE-9800054040 [1,0,0,0,0,0|0,0,0]=1 468 B4R0.1 CCC(=O)S MCULE-3392119766 [1,0,0,0,0,0|0,1,0]=2 469 B4R0.1 CCC(=O)[O-] MCULE-6321502767 [1,0,0,0,0,0|0,0,1]=2 470 B4R0.1 CCC(=S)N MCULE-3921479699 [1,0,0,0,0,0|1,1,0]=3 471 B4R0.1 CCC(C)Br MCULE-9661620259 [1,0,0,0,0,0|2,0,1]=4 472 B4R0.1 CCC(C)C MCULE-5376105936 [1,0,0,0,0,0|2,0,1]=4 473 B4R0.1 CCC(C)Cl MCULE-2954418486 [1,0,0,0,0,0|2,0,1]=4 474 B4R0.1 CCC(C)I MCULE-5239699587 [1,0,0,0,0,0|2,0,1]=4 475 B4R0.1 CCC(C)N MCULE-5041676035 [1,0,0,0,0,0|2,0,1]=4 476 B4R0.1 CCC(C)N MCULE-5835091553 [1,0,0,0,0,0|2,0,1]=4 477 B4R0.1 CCC(C)N MCULE-6631606230 [1,0,0,0,0,0|2,0,1]=4 478 B4R0.1 CCC(C)N MCULE-8165681721 [1,0,0,0,0,0|2,0,1]=4 479 B4R0.1 CCC(C)O MCULE-4099350806 [1,0,0,0,0,0|1,0,1]=3 480 B4R0.1 CCC(C)O MCULE-5005120003 [1,0,0,0,0,0|1,0,1]=3 481 B4R0.1 CCC(C)S MCULE-4988033753 [1,0,0,0,0,0|1,1,1]=4 482 B4R0.1 CCN(=O)=O MCULE-6603591614 [1,0,0,0,0,0|1,0,1]=3 483 B4R0.1 CCN(C)C MCULE-5825033552 [1,0,0,0,0,0|3,0,0]=4 484 B4R0.1 CCN(C)N MCULE-2279492356 [1,0,0,0,0,0|3,0,0]=4 485 B4R0.1 CCN(C)N MCULE-5660338703 [1,0,0,0,0,0|3,0,0]=4 486 B4R0.1 CCN(C)N MCULE-9839987578 [1,0,0,0,0,0|3,0,0]=4 487 B4R0.1 CCS(=O)C MCULE-4400935745 [1,0,0,0,0,0|2,0,0]=3 488 B4R0.1 CCS(=O)O MCULE-9872932319 [1,0,0,0,0,0|1,0,0]=2 489 B4R0.1 CCS(=O)[O-] MCULE-4386198822 [1,0,0,0,0,0|1,0,1]=3 490 B4R0.1 CC[C@@H](C)N MCULE-2017255826 [1,0,0,0,0,0|2,0,1]=4 491 B4R0.1 CC[C@@H](C)N MCULE-3555707512 [1,0,0,0,0,0|2,0,1]=4 492 B4R0.1 CC[C@@H](C)N MCULE-6783735598 [1,0,0,0,0,0|2,0,1]=4 493 B4R0.1 CC[C@@H](C)N MCULE-7004219201 [1,0,0,0,0,0|2,0,1]=4 494 B4R0.1 CC[C@@H](C)O MCULE-2661481448 [1,0,0,0,0,0|1,0,1]=3 495 B4R0.1 CC[C@@H](C)O MCULE-6785232833 [1,0,0,0,0,0|1,0,1]=3 496 B4R0.1 CC[C@H](C)N MCULE-2450201533 [1,0,0,0,0,0|2,0,1]=4 497 B4R0.1 CC[C@H](C)N MCULE-2998961427 [1,0,0,0,0,0|2,0,1]=4 498 B4R0.1 CC[C@H](C)N MCULE-6692190471 [1,0,0,0,0,0|2,0,1]=4 499 B4R0.1 CC[C@H](C)N MCULE-6904795465 [1,0,0,0,0,0|2,0,1]=4 500 B4R0.1 CC[C@H](C)O MCULE-3700911573 [1,0,0,0,0,0|1,0,1]=3 501 B4R0.1 CC[C@H](C)O MCULE-6063716138 [1,0,0,0,0,0|1,0,1]=3 502 B4R0.1 CN(C)C=O MCULE-6290117712 [1,0,0,0,0,0|2,0,0]=3 503 B4R0.1 CN(C)C=S MCULE-3571847382 [1,0,0,0,0,0|2,1,0]=4 504 B4R0.1 CN(C)N=O MCULE-1157726226 [1,0,0,0,0,0|3,0,0]=4 505 B4R0.1 CN(N)C=O MCULE-6353057165 [1,0,0,0,0,0|2,0,0]=3 506 B4R0.1 CNC(=N)N MCULE-1074994749 [1,0,0,0,0,0|3,0,0]=4 507 B4R0.1 CNC(=N)N MCULE-6149731862 [1,0,0,0,0,0|3,0,0]=4 508 B4R0.1 CNC(=N)N MCULE-7667364021 [1,0,0,0,0,0|3,0,0]=4 509 B4R0.1 CNC(=N)N MCULE-7854448694 [1,0,0,0,0,0|3,0,0]=4 510 B4R0.1 CNC(=O)C MCULE-2612997941 [1,0,0,0,0,0|2,0,0]=3 511 B4R0.1 CNC(=O)Cl MCULE-7743744606 [1,0,0,0,0,0|2,0,0]=3 512 B4R0.1 CNC(=O)N MCULE-6422331704 [1,0,0,0,0,0|2,0,0]=3 513 B4R0.1 CNC(=S)C MCULE-8699171591 [1,0,0,0,0,0|2,1,0]=4 514 B4R0.1 CNC(=S)N MCULE-7103250725 [1,0,0,0,0,0|2,1,0]=4 515 B4R0.1 CNC(=S)[S-] MCULE-4072880135 [1,0,0,0,0,0|1,2,0]=4 516 B4R0.1 CNC(=S)[S-] MCULE-4924829934 [1,0,0,0,0,0|1,2,0]=4 517 B4R0.1 CNC(C)C MCULE-3849513543 [1,0,0,0,0,0|3,0,0]=4 518 B4R0.1 COC(=N)C MCULE-2752794913 [1,0,0,0,0,0|3,0,0]=4 519 B4R0.1 COC(=N)C MCULE-2904991083 [1,0,0,0,0,0|3,0,0]=4 520 B4R0.1 COC(=N)N MCULE-1611076737 [1,0,0,0,0,0|3,0,0]=4 521 B4R0.1 COC(=N)N MCULE-4923904579 [1,0,0,0,0,0|3,0,0]=4 522 B4R0.1 COC(=N)N MCULE-6696789855 [1,0,0,0,0,0|3,0,0]=4 523 B4R0.1 COC(=N)N MCULE-9171600210 [1,0,0,0,0,0|3,0,0]=4 524 B4R0.1 COC(=O)C MCULE-7368066093 [1,0,0,0,0,0|2,0,0]=3 525 B4R0.1 COC(=O)Cl MCULE-8022274771 [1,0,0,0,0,0|2,0,0]=3 526 B4R0.1 COC(=O)N MCULE-4070607369 [1,0,0,0,0,0|2,0,0]=3 527 B4R0.1 COC(=S)N MCULE-9414558443 [1,0,0,0,0,0|2,1,0]=4 528 B4R0.1 COC(=S)[S-] MCULE-4829872223 [1,0,0,0,0,0|1,2,0]=4 529 B4R0.1 COC(=S)[S-] MCULE-6509496630 [1,0,0,0,0,0|1,2,0]=4 530 B4R0.1 COC(C)Cl MCULE-9043930044 [1,0,0,0,0,0|3,0,0]=4 531 B4R0.1 CSC(=N)N MCULE-1471368384 [1,0,0,0,0,0|3,0,0]=4 532 B4R0.1 CSC(=N)N MCULE-3394284504 [1,0,0,0,0,0|3,0,0]=4 533 B4R0.1 CSC(=N)N MCULE-3752198299 [1,0,0,0,0,0|3,0,0]=4 534 B4R0.1 CSC(=N)N MCULE-5672446896 [1,0,0,0,0,0|3,0,0]=4 535 B4R0.1 CSC(=N)N MCULE-8409992127 [1,0,0,0,0,0|3,0,0]=4 536 B4R0.1 CSC(=O)C MCULE-7061634598 [1,0,0,0,0,0|2,0,0]=3 537 B4R0.1 CSC(=S)C MCULE-4836153374 [1,0,0,0,0,0|2,1,0]=4 538 B4R0.1 CSC(C)C MCULE-5932565699 [1,0,0,0,0,0|3,0,0]=4 539 B4R0.1 CSS(=O)C MCULE-6515592458 [1,0,0,0,0,0|3,0,0]=4 540 B4R0.1 C[C@@H](Cl)CO MCULE-4834664531 [1,0,0,0,0,0|1,0,1]=3 541 B4R0.1 C[C@@H](Cl)CO MCULE-8797955903 [1,0,0,0,0,0|1,0,1]=3 542 B4R0.1 C[C@@H](F)CO MCULE-3312305972 [1,0,0,0,0,0|1,0,1]=3 543 B4R0.1 C[C@@H](F)CO MCULE-4754825872 [1,0,0,0,0,0|1,0,1]=3 544 B4R0.1 C[C@@H](N)C#N MCULE-4366493733 [1,0,0,0,0,0|2,0,1]=4 545 B4R0.1 C[C@@H](N)C#N MCULE-4475438132 [1,0,0,0,0,0|2,0,1]=4 546 B4R0.1 C[C@@H](N)C#N MCULE-8152568021 [1,0,0,0,0,0|2,0,1]=4 547 B4R0.1 C[C@@H](N)C#N MCULE-9327848803 [1,0,0,0,0,0|2,0,1]=4 548 B4R0.1 C[C@@H](N)CF MCULE-2227343602 [1,0,0,0,0,0|2,0,1]=4 549 B4R0.1 C[C@@H](N)CF MCULE-2283243747 [1,0,0,0,0,0|2,0,1]=4 550 B4R0.1 C[C@@H](N)CF MCULE-6326763354 [1,0,0,0,0,0|2,0,1]=4 551 B4R0.1 C[C@@H](N)CF MCULE-6630824972 [1,0,0,0,0,0|2,0,1]=4 552 B4R0.1 C[C@@H](N)CN MCULE-5207840256 [1,0,0,0,0,0|2,0,1]=4 553 B4R0.1 C[C@@H](N)CN MCULE-5332214014 [1,0,0,0,0,0|2,0,1]=4 554 B4R0.1 C[C@@H](N)CN MCULE-7816211809 [1,0,0,0,0,0|2,0,1]=4 555 B4R0.1 C[C@@H](N)CN MCULE-7982492466 [1,0,0,0,0,0|2,0,1]=4 556 B4R0.1 C[C@@H](N)CO MCULE-5655560645 [1,0,0,0,0,0|1,0,1]=3 557 B4R0.1 C[C@@H](N)CO MCULE-8066658004 [1,0,0,0,0,0|1,0,1]=3 558 B4R0.1 C[C@@H](O)C=O MCULE-5921136435 [1,0,0,0,0,0|0,0,0]=1 559 B4R0.1 C[C@@H](O)CCl MCULE-4669677883 [1,0,0,0,0,0|1,0,1]=3 560 B4R0.1 C[C@@H](O)CCl MCULE-7670590902 [1,0,0,0,0,0|1,0,1]=3 561 B4R0.1 C[C@@H](O)CN MCULE-9301041927 [1,0,0,0,0,0|1,0,1]=3 562 B4R0.1 C[C@@H](O)CO MCULE-4464598400 [1,0,0,0,0,0|0,0,1]=2 563 B4R0.1 C[C@@H](O)CO MCULE-9914833832 [1,0,0,0,0,0|0,0,1]=2 564 B4R0.1 C[C@@H](O)CS MCULE-8817452889 [1,0,0,0,0,0|0,1,1]=3 565 B4R0.1 C[C@H](Cl)CO MCULE-6747279587 [1,0,0,0,0,0|1,0,1]=3 566 B4R0.1 C[C@H](Cl)CO MCULE-8509218918 [1,0,0,0,0,0|1,0,1]=3 567 B4R0.1 C[C@H](F)CO MCULE-1024261541 [1,0,0,0,0,0|1,0,1]=3 568 B4R0.1 C[C@H](F)CO MCULE-7028098137 [1,0,0,0,0,0|1,0,1]=3 569 B4R0.1 C[C@H](N)C#N MCULE-2449963253 [1,0,0,0,0,0|2,0,1]=4 570 B4R0.1 C[C@H](N)C#N MCULE-3624286995 [1,0,0,0,0,0|2,0,1]=4 571 B4R0.1 C[C@H](N)CF MCULE-1053227516 [1,0,0,0,0,0|2,0,1]=4 572 B4R0.1 C[C@H](N)CF MCULE-4024916343 [1,0,0,0,0,0|2,0,1]=4 573 B4R0.1 C[C@H](N)CF MCULE-6312285034 [1,0,0,0,0,0|2,0,1]=4 574 B4R0.1 C[C@H](N)CF MCULE-7630744199 [1,0,0,0,0,0|2,0,1]=4 575 B4R0.1 C[C@H](N)CN MCULE-2048837128 [1,0,0,0,0,0|2,0,1]=4 576 B4R0.1 C[C@H](N)CN MCULE-4105152552 [1,0,0,0,0,0|2,0,1]=4 577 B4R0.1 C[C@H](N)CN MCULE-7106390536 [1,0,0,0,0,0|2,0,1]=4 578 B4R0.1 C[C@H](N)CN MCULE-9863306005 [1,0,0,0,0,0|2,0,1]=4 579 B4R0.1 C[C@H](N)CO MCULE-2471107013 [1,0,0,0,0,0|1,0,1]=3 580 B4R0.1 C[C@H](N)CO MCULE-5424195678 [1,0,0,0,0,0|1,0,1]=3 581 B4R0.1 C[C@H](O)CCl MCULE-3018109825 [1,0,0,0,0,0|1,0,1]=3 582 B4R0.1 C[C@H](O)CCl MCULE-5836677540 [1,0,0,0,0,0|1,0,1]=3 583 B4R0.1 C[C@H](O)CN MCULE-3227371869 [1,0,0,0,0,0|1,0,1]=3 584 B4R0.1 C[C@H](O)CN MCULE-5480489257 [1,0,0,0,0,0|1,0,1]=3 585 B4R0.1 C[C@H](O)CO MCULE-6582852191 [1,0,0,0,0,0|0,0,1]=2 586 B4R0.1 C[C@H](O)CO MCULE-8074793296 [1,0,0,0,0,0|0,0,1]=2 587 B4R0.1 C[C@H](O)CS MCULE-9061842733 [1,0,0,0,0,0|0,1,1]=3 588 B4R0.1 C[N+](=CBr)C MCULE-4078543172 [1,0,0,0,0,0|3,0,0]=4 589 B4R0.1 C[N+](=CBr)C MCULE-9146783444 [1,0,0,0,0,0|3,0,0]=4 590 B4R0.1 C[N+](=CCl)C MCULE-5768539789 [1,0,0,0,0,0|3,0,0]=4 591 B4R0.1 C[N+](=CCl)C MCULE-6936774679 [1,0,0,0,0,0|3,0,0]=4 592 B4R0.1 N=C(N)CCl MCULE-1495198330 [1,0,0,0,0,0|3,0,0]=4 593 B4R0.1 N=C(N)CCl MCULE-2087468158 [1,0,0,0,0,0|3,0,0]=4 594 B4R0.1 N=C(N)CF MCULE-4489534021 [1,0,0,0,0,0|3,0,0]=4 595 B4R0.1 N=C(N)CF MCULE-8858704396 [1,0,0,0,0,0|3,0,0]=4 596 B4R0.1 N=C(N)CN MCULE-2761790792 [1,0,0,0,0,0|3,0,0]=4 597 B4R0.1 N=C(N)CN MCULE-5131841850 [1,0,0,0,0,0|3,0,0]=4 598 B4R0.1 N=C(N)CN MCULE-6618111844 [1,0,0,0,0,0|3,0,0]=4 599 B4R0.1 N=C(N)CO MCULE-5146395919 [1,0,0,0,0,0|2,0,0]=3 600 B4R0.1 N=C(N)CO MCULE-8814507460 [1,0,0,0,0,0|2,0,0]=3 601 B4R0.1 N=C(N)NO MCULE-2554837832 [1,0,0,0,0,0|3,0,0]=4 602 B4R0.1 N=C(N)NO MCULE-5458374815 [1,0,0,0,0,0|3,0,0]=4 603 B4R0.1 N=C(N)NO MCULE-5913043834 [1,0,0,0,0,0|3,0,0]=4 604 B4R0.1 NC(=NO)N MCULE-7650923271 [1,0,0,0,0,0|3,0,0]=4 605 B4R0.1 NC(=O)CBr MCULE-9306090536 [1,0,0,0,0,0|2,0,0]=3 606 B4R0.1 NC(=O)CCl MCULE-3241549842 [1,0,0,0,0,0|2,0,0]=3 607 B4R0.1 NC(=O)CF MCULE-3344212657 [1,0,0,0,0,0|2,0,0]=3 608 B4R0.1 NC(=O)CI MCULE-4217973413 [1,0,0,0,0,0|2,0,0]=3 609 B4R0.1 NC(=O)CO MCULE-2739878376 [1,0,0,0,0,0|1,0,0]=2 610 B4R0.1 NC(=O)CS MCULE-2639305532 [1,0,0,0,0,0|1,1,0]=3 611 B4R0.1 NC(=O)NO MCULE-9465284053 [1,0,0,0,0,0|2,0,0]=3 612 B4R0.1 NC(=S)CF MCULE-7873791134 [1,0,0,0,0,0|2,1,0]=4 613 B4R0.1 NC(=S)CO MCULE-9301705313 [1,0,0,0,0,0|1,1,0]=3 614 B4R0.1 NCC(=O)N MCULE-1048848056 [1,0,0,0,0,0|2,0,0]=3 615 B4R0.1 NCC(=O)N MCULE-2174395809 [1,0,0,0,0,0|2,0,0]=3 616 B4R0.1 NCC(=O)N MCULE-6113166250 [1,0,0,0,0,0|2,0,0]=3 617 B4R0.1 NCC(=O)O MCULE-2415764032 [1,0,0,0,0,0|1,0,0]=2 618 B4R0.1 NCC(=O)O MCULE-3643110755 [1,0,0,0,0,0|1,0,0]=2 619 B4R0.1 NCC(=O)O MCULE-4349255299 [1,0,0,0,0,0|1,0,0]=2 620 B4R0.1 NCC(=O)O MCULE-9146223615 [1,0,0,0,0,0|1,0,0]=2 621 B4R0.1 NCC(=O)O MCULE-9701991737 [1,0,0,0,0,0|1,0,0]=2 622 B4R0.1 NCC(=O)S MCULE-9837799864 [1,0,0,0,0,0|1,1,0]=3 623 B4R0.1 NCC(=O)[O-] MCULE-5975202378 [1,0,0,0,0,0|1,0,1]=3 624 B4R0.1 NCS(=O)[O-] MCULE-6627922989 [1,0,0,0,0,0|2,0,1]=4 625 B4R0.1 NCS(=O)[O-] MCULE-9434739250 [1,0,0,0,0,0|2,0,1]=4 626 B4R0.1 NNC(=O)N MCULE-3392559370 [1,0,0,0,0,0|3,0,0]=4 627 B4R0.1 NNC(=O)N MCULE-8490374775 [1,0,0,0,0,0|3,0,0]=4 628 B4R0.1 O=C(Br)CBr MCULE-6031858200 [1,0,0,0,0,0|2,0,0]=3 629 B4R0.1 O=C(Cl)CBr MCULE-7684029984 [1,0,0,0,0,0|2,0,0]=3 630 B4R0.1 O=C(Cl)CCl MCULE-7076914635 [1,0,0,0,0,0|2,0,0]=3 631 B4R0.1 O=C(Cl)CF MCULE-7182087882 [1,0,0,0,0,0|2,0,0]=3 632 B4R0.1 O=C(Cl)CI MCULE-5719121455 [1,0,0,0,0,0|2,0,0]=3 633 B4R0.1 O=C(Cl)SCl MCULE-5008011265 [1,0,0,0,0,0|3,0,0]=4 634 B4R0.1 O=C(O)CBr MCULE-1503716137 [1,0,0,0,0,0|1,0,0]=2 635 B4R0.1 O=C(O)CCl MCULE-9228754880 [1,0,0,0,0,0|1,0,0]=2 636 B4R0.1 O=C(O)CF MCULE-6584094437 [1,0,0,0,0,0|1,0,0]=2 637 B4R0.1 O=C(O)CI MCULE-3146792857 [1,0,0,0,0,0|1,0,0]=2 638 B4R0.1 O=C(O)CO MCULE-9792551388 [1,0,0,0,0,0|0,0,0]=1 639 B4R0.1 O=C(O)CS MCULE-8097997001 [1,0,0,0,0,0|0,1,0]=2 640 B4R0.1 O=C([O-])CF MCULE-8428965857 [1,0,0,0,0,0|1,0,1]=3 641 B4R0.1 O=C([O-])CO MCULE-2780567509 [1,0,0,0,0,0|0,0,1]=2 642 B4R0.1 O=C([O-])CS MCULE-3314809220 [1,0,0,0,0,0|0,1,1]=3 643 B4R0.1 O=C([O-])CS MCULE-5989133747 [1,0,0,0,0,0|0,1,1]=3 644 B4R0.1 O=CC(=O)O MCULE-5307898766 [1,0,0,0,0,0|0,0,2]=3 645 B4R0.1 O=CC(Cl)Cl MCULE-7925858204 [1,0,0,0,0,0|2,0,0]=3 646 B4R0.1 O=N(=O)CBr MCULE-5030744397 [1,0,0,0,0,0|2,0,1]=4 647 B4R0.1 O=N(=O)CF MCULE-9920695539 [1,0,0,0,0,0|2,0,1]=4 648 B4R0.1 O=S(O)CO MCULE-4195832185 [1,0,0,0,0,0|1,0,0]=2 649 B4R0.1 O=S([O-])CF MCULE-5711587598 [1,0,0,0,0,0|2,0,1]=4 650 B4R0.1 O=S([O-])CF MCULE-9276464291 [1,0,0,0,0,0|2,0,1]=4 651 B4R0.1 O=S([O-])CO MCULE-5211722344 [1,0,0,0,0,0|1,0,1]=3 652 B4R0.1 OB(O)CCl MCULE-1740750359 [1,0,0,0,0,0|2,0,1]=4 653 B4R0.1 OCC(Cl)Cl MCULE-3279441180 [1,0,0,0,0,0|2,0,1]=4 654 B4R0.1 OCC(F)Br MCULE-5466660542 [1,0,0,0,0,0|2,0,1]=4 655 B4R0.1 OCC(F)F MCULE-3252378943 [1,0,0,0,0,0|2,0,1]=4 656 B4R0.1 ON=C(Br)Br MCULE-4053513648 [1,0,0,0,0,0|3,0,0]=4 657 B4R0.1 P(=O)(O)CN MCULE-5441171864 [1,0,0,0,0,0|2,0,0]=3 658 B4R0.1 [C@@H](C)(O)C#C MCULE-8971134855 [1,0,0,0,0,0|1,0,1]=3 659 B4R0.1 [C@H](C)(O)CN MCULE-8212000072 [1,0,0,0,0,0|1,0,1]=3 660 B4R0.1 [NH3+]C(C)CC MCULE-3066898055 [1,0,0,0,0,0|2,0,1]=4 661 B6R0.3 C#CC(=O)C(C)C MCULE-9471281560 [0,1,0,0,0,0|2,0,0]=3 662 B6R0.3 C#CC(=O)N(C)C MCULE-6032188951 [0,1,0,0,0,0|3,0,0]=4 663 B6R0.3 C#CC(O)C(=O)O MCULE-4214673632 [0,1,0,0,0,0|0,0,1]=2 664 B6R0.3 C#CC(O)C(C)C MCULE-6729964061 [0,1,0,0,0,0|2,0,1]=4 665 B6R0.3 C#C[C@@H](O)C(C)C MCULE-2957798079 [0,1,0,0,0,0|2,0,1]=4 666 B6R0.3 C#C[C@H](O)C(C)C MCULE-7477457472 [0,1,0,0,0,0|2,0,1]=4 667 B6R0.3 C(C)(OC)C(=O)O MCULE-4852209230 [0,1,0,0,0,0|0,0,0]=1 668 B6R0.3 C(N)(CO)C(=O)N MCULE-5512645571 [0,1,0,0,0,0|2,0,0]=3 669 B6R0.3 C(N)(CO)C(=O)N MCULE-5852943337 [0,1,0,0,0,0|2,0,0]=3 670 B6R0.3 C/C(=N/O)/C(F)F MCULE-3949329349 [0,1,0,0,0,0|3,0,0]=4 671 B6R0.3 C/C=C(/C)\C(=O)O MCULE-2116066534 [0,1,0,0,0,0|1,0,1]=3 672 B6R0.3 C/C=C(\Br)/C(=O)O MCULE-5940308548 [0,1,0,0,0,0|1,0,1]=3 673 B6R0.3 C/C=C(\C)/C(=O)O MCULE-4890719796 [0,1,0,0,0,0|1,0,1]=3 674 B6R0.3 C/C=C(\O)/C(=O)O MCULE-9596699660 [0,1,0,0,0,0|0,0,1]=2 675 B6R0.3 C=C(Br)C(=O)OC MCULE-6192595524 [0,1,0,0,0,0|1,0,2]=4 676 B6R0.3 C=C(C#N)C(=O)O MCULE-1746285232 [0,1,0,0,0,0|1,0,2]=4 677 B6R0.3 C=C(C)C(=O)NC MCULE-9515227181 [0,1,0,0,0,0|2,0,1]=4 678 B6R0.3 C=C(C)C(=O)NN MCULE-5114453960 [0,1,0,0,0,0|2,0,1]=4 679 B6R0.3 C=C(C)C(=O)OC MCULE-9286083206 [0,1,0,0,0,0|1,0,1]=3 680 B6R0.3 C=C(C)C(C)CC MCULE-3736079313 [0,1,0,0,0,0|3,0,0]=4 681 B6R0.3 C=C(CBr)C(=O)O MCULE-7257367588 [0,1,0,0,0,0|1,0,1]=3 682 B6R0.3 C=C(CC)C(=O)O MCULE-7335567367 [0,1,0,0,0,0|1,0,1]=3 683 B6R0.3 C=C(CO)C(=O)O MCULE-9731648602 [0,1,0,0,0,0|0,0,2]=3 684 B6R0.3 C=C(Cl)C(=O)OC MCULE-6494333767 [0,1,0,0,0,0|1,0,2]=4 685 B6R0.3 C=C(F)C(=O)OC MCULE-8485282148 [0,1,0,0,0,0|1,0,2]=4 686 B6R0.3 C=C(I)C(C)CI MCULE-8558127481 [0,1,0,0,0,0|3,0,0]=4 687 B6R0.3 C=C(I)[C@H](C)CI MCULE-1089285398 [0,1,0,0,0,0|3,0,0]=4 688 B6R0.3 C=C(I)[C@H](C)CI MCULE-5444456468 [0,1,0,0,0,0|3,0,0]=4 689 B6R0.3 C=C(OC)C(=O)O MCULE-9965334560 [0,1,0,0,0,0|0,0,2]=3 690 B6R0.3 C=CC(=O)C(=O)O MCULE-9816982424 [0,1,0,0,0,0|0,0,3]=4 691 B6R0.3 C=CC(=O)C(C)C MCULE-8577593172 [0,1,0,0,0,0|2,0,0]=3 692 B6R0.3 C=CC(=O)N(C)C MCULE-3105693382 [0,1,0,0,0,0|3,0,0]=4 693 B6R0.3 C=CC(C)C(=O)O MCULE-7280145889 [0,1,0,0,0,0|1,0,0]=2 694 B6R0.3 C=CC(C)C(C)O MCULE-5639096655 [0,1,0,0,0,0|2,0,1]=4 695 B6R0.3 C=CC(N)C(=O)O MCULE-2000511750 [0,1,0,0,0,0|1,0,1]=3 696 B6R0.3 C=CC(N)C(=O)O MCULE-7504415267 [0,1,0,0,0,0|1,0,1]=3 697 B6R0.3 C=CC(N)C(=O)O MCULE-9012490000 [0,1,0,0,0,0|1,0,1]=3 698 B6R0.3 C=CC(N)C(=O)O MCULE-9978294266 [0,1,0,0,0,0|1,0,1]=3 699 B6R0.3 C=CC(O)C(=O)O MCULE-3847595710 [0,1,0,0,0,0|0,0,1]=2 700 B6R0.3 C=CC(O)C(C)C MCULE-2504249276 [0,1,0,0,0,0|2,0,1]=4 701 B6R0.3 C=CN(C)C(=O)C MCULE-2418332000 [0,1,0,0,0,0|3,0,0]=4 702 B6R0.3 C=C[C@@H](C)C(=O)O MCULE-9719548038 [0,1,0,0,0,0|1,0,0]=2 703 B6R0.3 C=C[C@@H](C)[C@@H](C)O MCULE-1946110265 [0,1,0,0,0,0|2,0,1]=4 704 B6R0.3 C=C[C@@H](C)[C@@H](C)O MCULE-2042493608 [0,1,0,0,0,0|2,0,1]=4 705 B6R0.3 C=C[C@@H](C)[C@H](C)O MCULE-1482556738 [0,1,0,0,0,0|2,0,1]=4 706 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-3678761806 [0,1,0,0,0,0|1,0,1]=3 707 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-6682447306 [0,1,0,0,0,0|1,0,1]=3 708 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-6779191781 [0,1,0,0,0,0|1,0,1]=3 709 B6R0.3 C=C[C@H](C)C(=O)O MCULE-1694697840 [0,1,0,0,0,0|1,0,0]=2 710 B6R0.3 C=C[C@H](C)C(=O)O MCULE-2601438258 [0,1,0,0,0,0|1,0,0]=2 711 B6R0.3 C=C[C@H](C)C(=O)O MCULE-6098133430 [0,1,0,0,0,0|1,0,0]=2 712 B6R0.3 C=C[C@H](C)[C@@H](C)O MCULE-4591189626 [0,1,0,0,0,0|2,0,1]=4 713 B6R0.3 C=C[C@H](C)[C@H](C)O MCULE-2180884086 [0,1,0,0,0,0|2,0,1]=4 714 B6R0.3 C=C[C@H](C)[C@H](C)O MCULE-2347920403 [0,1,0,0,0,0|2,0,1]=4 715 B6R0.3 C=C[C@H](N)C(=O)O MCULE-2657488498 [0,1,0,0,0,0|1,0,1]=3 716 B6R0.3 C=C[C@H](N)C(=O)O MCULE-5103456570 [0,1,0,0,0,0|1,0,1]=3 717 B6R0.3 C=C[C@H](N)C(=O)O MCULE-5936124947 [0,1,0,0,0,0|1,0,1]=3 718 B6R0.3 C=C[C@H](N)C(=O)O MCULE-9631686254 [0,1,0,0,0,0|1,0,1]=3 719 B6R0.3 CC(=C(C)CO)C MCULE-2852322197 [0,1,0,0,0,0|2,0,1]=4 720 B6R0.3 CC(=C(F)CO)C MCULE-3552996593 [0,1,0,0,0,0|2,0,1]=4 721 B6R0.3 CC(=CBr)C(=O)O MCULE-3682516046 [0,1,0,0,0,0|1,0,1]=3 722 B6R0.3 CC(=NO)C(=O)O MCULE-8264934008 [0,1,0,0,0,0|0,0,1]=2 723 B6R0.3 CC(=NO)C(F)F MCULE-8246122811 [0,1,0,0,0,0|3,0,0]=4 724 B6R0.3 CC(=O)/C(=N/O)/C MCULE-2017881701 [0,1,0,0,0,0|1,0,1]=3 725 B6R0.3 CC(=O)/C(=N\O)/C MCULE-6814264333 [0,1,0,0,0,0|1,0,1]=3 726 B6R0.3 CC(=O)C(=NO)C MCULE-3626428375 [0,1,0,0,0,0|1,0,1]=3 727 B6R0.3 CC(=O)C(=NO)Cl MCULE-9930401042 [0,1,0,0,0,0|1,0,2]=4 728 B6R0.3 CC(=O)C(=O)CBr MCULE-8560925164 [0,1,0,0,0,0|1,0,2]=4 729 B6R0.3 CC(=O)C(=O)CCl MCULE-2778551811 [0,1,0,0,0,0|1,0,2]=4 730 B6R0.3 CC(=O)C(Br)C=O MCULE-6904531970 [0,1,0,0,0,0|2,0,1]=4 731 B6R0.3 CC(=O)C(C)C#N MCULE-3849364002 [0,1,0,0,0,0|2,0,0]=3 732 B6R0.3 CC(=O)C(C)C=O MCULE-7133682970 [0,1,0,0,0,0|1,0,1]=3 733 B6R0.3 CC(=O)C(C)CO MCULE-9026658672 [0,1,0,0,0,0|1,0,0]=2 734 B6R0.3 CC(=O)C(Cl)C#N MCULE-7984925847 [0,1,0,0,0,0|2,0,1]=4 735 B6R0.3 CC(=O)C(N)CO MCULE-4063057020 [0,1,0,0,0,0|2,0,0]=3 736 B6R0.3 CC(=O)[C@@H](N)CO MCULE-9046372356 [0,1,0,0,0,0|2,0,0]=3 737 B6R0.3 CC(Br)C(O)C#N MCULE-5520123598 [0,1,0,0,0,0|2,0,1]=4 738 B6R0.3 CC(C#N)C(=O)N MCULE-2138676966 [0,1,0,0,0,0|2,0,0]=3 739 B6R0.3 CC(C#N)C(=O)O MCULE-3302580561 [0,1,0,0,0,0|1,0,0]=2 740 B6R0.3 CC(C)/C(=N/O)/Cl MCULE-8655360746 [0,1,0,0,0,0|2,0,0]=3 741 B6R0.3 CC(C)/C(=N/O)/N MCULE-4474697690 [0,1,0,0,0,0|2,0,0]=3 742 B6R0.3 CC(C)C(=N)NN MCULE-9932640155 [0,1,0,0,0,0|3,0,0]=4 743 B6R0.3 CC(C)C(=N)NO MCULE-9934498877 [0,1,0,0,0,0|2,0,0]=3 744 B6R0.3 CC(C)C(=O)CBr MCULE-5913227185 [0,1,0,0,0,0|2,0,0]=3 745 B6R0.3 CC(C)C(=O)CCl MCULE-4093256141 [0,1,0,0,0,0|2,0,0]=3 746 B6R0.3 CC(C)C(=O)CN MCULE-6091425997 [0,1,0,0,0,0|2,0,0]=3 747 B6R0.3 CC(C)C(=O)CN MCULE-7368122425 [0,1,0,0,0,0|2,0,0]=3 748 B6R0.3 CC(C)C(=O)CO MCULE-8746789873 [0,1,0,0,0,0|1,0,0]=2 749 B6R0.3 CC(C)C(=O)NN MCULE-1262854337 [0,1,0,0,0,0|2,0,0]=3 750 B6R0.3 CC(C)C(Br)C=O MCULE-2054791376 [0,1,0,0,0,0|2,0,1]=4 751 B6R0.3 CC(C)C(C)CO MCULE-7008552664 [0,1,0,0,0,0|2,0,1]=4 752 B6R0.3 CC(C)C(N)CO MCULE-2361921763 [0,1,0,0,0,0|2,0,1]=4 753 B6R0.3 CC(C)C(N)CO MCULE-2989454077 [0,1,0,0,0,0|2,0,1]=4 754 B6R0.3 CC(C)C(N)CO MCULE-9793548365 [0,1,0,0,0,0|2,0,1]=4 755 B6R0.3 CC(C)C(O)C#N MCULE-1764798154 [0,1,0,0,0,0|2,0,1]=4 756 B6R0.3 CC(C)C(O)CBr MCULE-1921145212 [0,1,0,0,0,0|2,0,1]=4 757 B6R0.3 CC(C)C(O)CCl MCULE-7270676495 [0,1,0,0,0,0|2,0,1]=4 758 B6R0.3 CC(C)C(O)CN MCULE-3560246402 [0,1,0,0,0,0|2,0,1]=4 759 B6R0.3 CC(C)C(O)CN MCULE-9420842607 [0,1,0,0,0,0|2,0,1]=4 760 B6R0.3 CC(C)C(O)CO MCULE-6069815474 [0,1,0,0,0,0|1,0,2]=4 761 B6R0.3 CC(C)C(S)CO MCULE-1903780493 [0,1,0,0,0,0|1,1,1]=4 762 B6R0.3 CC(C)N(C)N=O MCULE-3797884338 [0,1,0,0,0,0|3,0,0]=4 763 B6R0.3 CC(C)[C@@H](C)CO MCULE-4943691177 [0,1,0,0,0,0|2,0,1]=4 764 B6R0.3 CC(C)[C@@H](C)CO MCULE-6583781047 [0,1,0,0,0,0|2,0,1]=4 765 B6R0.3 CC(C)[C@@H](N)CO MCULE-1135743088 [0,1,0,0,0,0|2,0,1]=4 766 B6R0.3 CC(C)[C@@H](N)CO MCULE-3994511291 [0,1,0,0,0,0|2,0,1]=4 767 B6R0.3 CC(C)[C@H](C)CO MCULE-9527582465 [0,1,0,0,0,0|2,0,1]=4 768 B6R0.3 CC(C)[C@H](N)C=O MCULE-6686967175 [0,1,0,0,0,0|2,0,1]=4 769 B6R0.3 CC(C)[C@H](N)CO MCULE-2625936994 [0,1,0,0,0,0|2,0,1]=4 770 B6R0.3 CC(C)[C@H](N)CO MCULE-3229973889 [0,1,0,0,0,0|2,0,1]=4 771 B6R0.3 CC(C)[C@H](N)CO MCULE-6090001117 [0,1,0,0,0,0|2,0,1]=4 772 B6R0.3 CC(C)[C@H](N)CO MCULE-8284816696 [0,1,0,0,0,0|2,0,1]=4 773 B6R0.3 CC(CBr)C(=O)O MCULE-1430003780 [0,1,0,0,0,0|1,0,0]=2 774 B6R0.3 CC(CF)C(=O)O MCULE-7390028409 [0,1,0,0,0,0|1,0,0]=2 775 B6R0.3 CC(CN)C(=O)O MCULE-5485986433 [0,1,0,0,0,0|1,0,0]=2 776 B6R0.3 CC(CN)C(=O)O MCULE-5638884438 [0,1,0,0,0,0|1,0,0]=2 777 B6R0.3 CC(CN)S(=O)C MCULE-9048112625 [0,1,0,0,0,0|3,0,0]=4 778 B6R0.3 CC(CO)C(=O)O MCULE-2772009804 [0,1,0,0,0,0|0,0,0]=1 779 B6R0.3 CC(CO)C(=O)[O-] MCULE-6956620176 [0,1,0,0,0,0|0,0,1]=2 780 B6R0.3 CC(CO)N(=O)=O MCULE-5856696728 [0,1,0,0,0,0|1,0,1]=3 781 B6R0.3 CC(CO)N(C)C MCULE-7300076854 [0,1,0,0,0,0|3,0,0]=4 782 B6R0.3 CC(CO)N(C)N MCULE-8306784573 [0,1,0,0,0,0|3,0,0]=4 783 B6R0.3 CC(CS)C(=O)O MCULE-9982386135 [0,1,0,0,0,0|0,1,0]=2 784 B6R0.3 CC(Cl)C(O)CCl MCULE-5399761987 [0,1,0,0,0,0|2,0,1]=4 785 B6R0.3 CC(N)C(C)CO MCULE-8179225289 [0,1,0,0,0,0|2,0,1]=4 786 B6R0.3 CC(N)C(O)CO MCULE-8191126136 [0,1,0,0,0,0|1,0,2]=4 787 B6R0.3 CC(O)/C(=N/O)/N MCULE-6135321689 [0,1,0,0,0,0|1,0,0]=2 788 B6R0.3 CC(O)C(=O)NN MCULE-4510079670 [0,1,0,0,0,0|1,0,0]=2 789 B6R0.3 CC(O)C(C)C#N MCULE-2580244921 [0,1,0,0,0,0|2,0,1]=4 790 B6R0.3 CC(O)C(C)CN MCULE-5251700993 [0,1,0,0,0,0|2,0,1]=4 791 B6R0.3 CC(O)C(C)CO MCULE-4061946423 [0,1,0,0,0,0|1,0,1]=3 792 B6R0.3 CC(O)C(N)CN MCULE-2787573482 [0,1,0,0,0,0|2,0,1]=4 793 B6R0.3 CC(O)C(N)CN MCULE-5330950433 [0,1,0,0,0,0|2,0,1]=4 794 B6R0.3 CC(O)C(N)CO MCULE-7733336449 [0,1,0,0,0,0|1,0,1]=3 795 B6R0.3 CC(O)C(O)CN MCULE-6591390331 [0,1,0,0,0,0|1,0,1]=3 796 B6R0.3 CC(O)C(O)CO MCULE-1795053551 [0,1,0,0,0,0|0,0,2]=3 797 B6R0.3 CC(ON)C(=O)O MCULE-1969235976 [0,1,0,0,0,0|0,0,0]=1 798 B6R0.3 CC(ON)C(=O)O MCULE-4318537884 [0,1,0,0,0,0|0,0,0]=1 799 B6R0.3 CC(ON)C(=O)O MCULE-4455753863 [0,1,0,0,0,0|0,0,0]=1 800 B6R0.3 CC(ON)C(=O)O MCULE-8893009712 [0,1,0,0,0,0|0,0,0]=1 801 B6R0.3 CC(S)C(C)CO MCULE-5435813701 [0,1,0,0,0,0|1,1,1]=4 802 B6R0.3 CC=C(Br)C(=O)O MCULE-5368794596 [0,1,0,0,0,0|1,0,1]=3 803 B6R0.3 CC=C(C)C(=O)C MCULE-8950290711 [0,1,0,0,0,0|2,0,1]=4 804 B6R0.3 CC=C(C)C(=O)Cl MCULE-2974704783 [0,1,0,0,0,0|2,0,1]=4 805 B6R0.3 CC=C(C)C(=O)O MCULE-2390677360 [0,1,0,0,0,0|1,0,1]=3 806 B6R0.3 CC=C(C)C(C)C MCULE-4070109813 [0,1,0,0,0,0|3,0,0]=4 807 B6R0.3 CC=C(Cl)C(=O)O MCULE-5827690088 [0,1,0,0,0,0|1,0,1]=3 808 B6R0.3 CC=C(F)C(=O)O MCULE-5053310707 [0,1,0,0,0,0|1,0,1]=3 809 B6R0.3 CC=C(O)C(=O)O MCULE-7886990963 [0,1,0,0,0,0|0,0,1]=2 810 B6R0.3 CCC(=O)C(=O)C MCULE-3065014067 [0,1,0,0,0,0|1,0,2]=4 811 B6R0.3 CCC(=O)C(=O)O MCULE-8360398438 [0,1,0,0,0,0|0,0,2]=3 812 B6R0.3 CCC(=O)C(=O)[O-] MCULE-7571698792 [0,1,0,0,0,0|0,0,3]=4 813 B6R0.3 CCC(=O)C(C)Br MCULE-2803556971 [0,1,0,0,0,0|2,0,0]=3 814 B6R0.3 CCC(=O)C(C)C MCULE-9576230007 [0,1,0,0,0,0|2,0,0]=3 815 B6R0.3 CCC(=O)C(C)Cl MCULE-8346980404 [0,1,0,0,0,0|2,0,0]=3 816 B6R0.3 CCC(=O)C(C)N MCULE-5434634349 [0,1,0,0,0,0|2,0,0]=3 817 B6R0.3 CCC(=O)C(C)N MCULE-8408562669 [0,1,0,0,0,0|2,0,0]=3 818 B6R0.3 CCC(=O)C(C)O MCULE-4144791660 [0,1,0,0,0,0|1,0,0]=2 819 B6R0.3 CCC(=O)C(C)S MCULE-3934356624 [0,1,0,0,0,0|1,1,0]=3 820 B6R0.3 CCC(=O)C(F)F MCULE-3621750629 [0,1,0,0,0,0|3,0,0]=4 821 B6R0.3 CCC(=O)N(C)C MCULE-1734001200 [0,1,0,0,0,0|3,0,0]=4 822 B6R0.3 CCC(Br)C(=O)Br MCULE-2627972929 [0,1,0,0,0,0|2,0,0]=3 823 B6R0.3 CCC(Br)C(=O)C MCULE-7759811805 [0,1,0,0,0,0|2,0,0]=3 824 B6R0.3 CCC(Br)C(=O)Cl MCULE-1448867234 [0,1,0,0,0,0|2,0,0]=3 825 B6R0.3 CCC(Br)C(=O)N MCULE-5823441392 [0,1,0,0,0,0|2,0,0]=3 826 B6R0.3 CCC(Br)C(=O)O MCULE-4214463814 [0,1,0,0,0,0|1,0,0]=2 827 B6R0.3 CCC(C)B(O)O MCULE-7544159454 [0,1,0,0,0,0|2,0,1]=4 828 B6R0.3 CCC(C)C(=N)N MCULE-4070060089 [0,1,0,0,0,0|3,0,0]=4 829 B6R0.3 CCC(C)C(=N)N MCULE-7020524406 [0,1,0,0,0,0|3,0,0]=4 830 B6R0.3 CCC(C)C(=O)C MCULE-5294244024 [0,1,0,0,0,0|2,0,0]=3 831 B6R0.3 CCC(C)C(=O)Cl MCULE-3594098886 [0,1,0,0,0,0|2,0,0]=3 832 B6R0.3 CCC(C)C(=O)N MCULE-9298244547 [0,1,0,0,0,0|2,0,0]=3 833 B6R0.3 CCC(C)C(=O)O MCULE-5615925204 [0,1,0,0,0,0|1,0,0]=2 834 B6R0.3 CCC(C)C(=O)O MCULE-7434436828 [0,1,0,0,0,0|1,0,0]=2 835 B6R0.3 CCC(C)C(=S)N MCULE-9682279721 [0,1,0,0,0,0|2,1,0]=4 836 B6R0.3 CCC(C)C(C)O MCULE-8290655999 [0,1,0,0,0,0|2,0,1]=4 837 B6R0.3 CCC(Cl)C(=O)Cl MCULE-6260726168 [0,1,0,0,0,0|2,0,0]=3 838 B6R0.3 CCC(Cl)C(=O)N MCULE-7941338456 [0,1,0,0,0,0|2,0,0]=3 839 B6R0.3 CCC(Cl)C(=O)O MCULE-6325944516 [0,1,0,0,0,0|1,0,0]=2 840 B6R0.3 CCC(F)C(=O)O MCULE-3947852767 [0,1,0,0,0,0|1,0,0]=2 841 B6R0.3 CCC(N)C(=O)N MCULE-2662930657 [0,1,0,0,0,0|2,0,0]=3 842 B6R0.3 CCC(N)C(=O)N MCULE-5136248706 [0,1,0,0,0,0|2,0,0]=3 843 B6R0.3 CCC(N)C(=O)N MCULE-8876361903 [0,1,0,0,0,0|2,0,0]=3 844 B6R0.3 CCC(N)C(=O)N MCULE-9704177556 [0,1,0,0,0,0|2,0,0]=3 845 B6R0.3 CCC(N)C(=O)O MCULE-2132009026 [0,1,0,0,0,0|1,0,0]=2 846 B6R0.3 CCC(N)C(=O)O MCULE-7397078475 [0,1,0,0,0,0|1,0,0]=2 847 B6R0.3 CCC(N)C(=O)O MCULE-8052711911 [0,1,0,0,0,0|1,0,0]=2 848 B6R0.3 CCC(N)C(=O)O MCULE-9815187967 [0,1,0,0,0,0|1,0,0]=2 849 B6R0.3 CCC(N)C(C)O MCULE-2752432664 [0,1,0,0,0,0|2,0,1]=4 850 B6R0.3 CCC(N)C(C)O MCULE-6087590428 [0,1,0,0,0,0|2,0,1]=4 851 B6R0.3 CCC(O)C(=O)N MCULE-4290959224 [0,1,0,0,0,0|1,0,0]=2 852 B6R0.3 CCC(O)C(=O)O MCULE-1958918710 [0,1,0,0,0,0|0,0,0]=1 853 B6R0.3 CCC(O)C(=O)O MCULE-2006594131 [0,1,0,0,0,0|0,0,0]=1 854 B6R0.3 CCC(O)C(=O)[O-] MCULE-5297669254 [0,1,0,0,0,0|0,0,1]=2 855 B6R0.3 CCC(O)C(=O)[O-] MCULE-5740032698 [0,1,0,0,0,0|0,0,1]=2 856 B6R0.3 CCC(O)C(C)C MCULE-1130775455 [0,1,0,0,0,0|2,0,1]=4 857 B6R0.3 CCC(O)C(C)N MCULE-4027170059 [0,1,0,0,0,0|2,0,1]=4 858 B6R0.3 CCC(O)C(C)O MCULE-1468922095 [0,1,0,0,0,0|1,0,1]=3 859 B6R0.3 CCC(S)C(=O)C MCULE-4243782106 [0,1,0,0,0,0|1,1,0]=3 860 B6R0.3 CCC(S)C(=O)O MCULE-9887370695 [0,1,0,0,0,0|0,1,0]=2 861 B6R0.3 CCN(C)C(=O)C MCULE-6881823095 [0,1,0,0,0,0|3,0,0]=4 862 B6R0.3 CCN(C)C(=O)Cl MCULE-3697487267 [0,1,0,0,0,0|3,0,0]=4 863 B6R0.3 CCN(N)C(=O)N MCULE-8674876262 [0,1,0,0,0,0|3,0,0]=4 864 B6R0.3 CCN(O)C(=O)C MCULE-8547381969 [0,1,0,0,0,0|2,0,0]=3 865 B6R0.3 CC[C@@H](Br)C(=O)O MCULE-3890418201 [0,1,0,0,0,0|1,0,0]=2 866 B6R0.3 CC[C@@H](Br)C(=O)O MCULE-5910145154 [0,1,0,0,0,0|1,0,0]=2 867 B6R0.3 CC[C@@H](C)C(=O)N MCULE-3083676357 [0,1,0,0,0,0|2,0,0]=3 868 B6R0.3 CC[C@@H](C)C(=O)N MCULE-4584753474 [0,1,0,0,0,0|2,0,0]=3 869 B6R0.3 CC[C@@H](C)C(=O)O MCULE-4225604875 [0,1,0,0,0,0|1,0,0]=2 870 B6R0.3 CC[C@@H](C)C(=O)O MCULE-6581991788 [0,1,0,0,0,0|1,0,0]=2 871 B6R0.3 CC[C@@H](Cl)C(=O)O MCULE-2496023102 [0,1,0,0,0,0|1,0,0]=2 872 B6R0.3 CC[C@@H](Cl)C(=O)O MCULE-9719915588 [0,1,0,0,0,0|1,0,0]=2 873 B6R0.3 CC[C@@H](N)C(=O)N MCULE-2790345262 [0,1,0,0,0,0|2,0,0]=3 874 B6R0.3 CC[C@@H](N)C(=O)N MCULE-3501293124 [0,1,0,0,0,0|2,0,0]=3 875 B6R0.3 CC[C@@H](N)C(=O)N MCULE-4913204798 [0,1,0,0,0,0|2,0,0]=3 876 B6R0.3 CC[C@@H](N)C(=O)N MCULE-5005994513 [0,1,0,0,0,0|2,0,0]=3 877 B6R0.3 CC[C@@H](N)C(=O)O MCULE-3824768448 [0,1,0,0,0,0|1,0,0]=2 878 B6R0.3 CC[C@@H](N)C(=O)O MCULE-7078248621 [0,1,0,0,0,0|1,0,0]=2 879 B6R0.3 CC[C@@H](N)C(=O)O MCULE-8856363896 [0,1,0,0,0,0|1,0,0]=2 880 B6R0.3 CC[C@@H](N)C(=O)O MCULE-9662763952 [0,1,0,0,0,0|1,0,0]=2 881 B6R0.3 CC[C@@H](N)[C@H](C)O MCULE-8294520512 [0,1,0,0,0,0|2,0,1]=4 882 B6R0.3 CC[C@@H](N)[C@H](C)O MCULE-9521001934 [0,1,0,0,0,0|2,0,1]=4 883 B6R0.3 CC[C@@H](O)C(=O)O MCULE-8118182602 [0,1,0,0,0,0|0,0,0]=1 884 B6R0.3 CC[C@@H](O)C(=O)O MCULE-9744322272 [0,1,0,0,0,0|0,0,0]=1 885 B6R0.3 CC[C@@H](O)C(C)C MCULE-3684327261 [0,1,0,0,0,0|2,0,1]=4 886 B6R0.3 CC[C@H](Br)C(=O)O MCULE-2859668715 [0,1,0,0,0,0|1,0,0]=2 887 B6R0.3 CC[C@H](Br)C(=O)O MCULE-9989821197 [0,1,0,0,0,0|1,0,0]=2 888 B6R0.3 CC[C@H](C)C(=O)O MCULE-5170193492 [0,1,0,0,0,0|1,0,0]=2 889 B6R0.3 CC[C@H](C)C(=O)O MCULE-6595467867 [0,1,0,0,0,0|1,0,0]=2 890 B6R0.3 CC[C@H](Cl)C(=O)O MCULE-8870390851 [0,1,0,0,0,0|1,0,0]=2 891 B6R0.3 CC[C@H](N)C(=O)N MCULE-1934671300 [0,1,0,0,0,0|2,0,0]=3 892 B6R0.3 CC[C@H](N)C(=O)N MCULE-3034729287 [0,1,0,0,0,0|2,0,0]=3 893 B6R0.3 CC[C@H](N)C(=O)N MCULE-6902117665 [0,1,0,0,0,0|2,0,0]=3 894 B6R0.3 CC[C@H](N)C(=O)N MCULE-9419812665 [0,1,0,0,0,0|2,0,0]=3 895 B6R0.3 CC[C@H](N)C(=O)O MCULE-3597025691 [0,1,0,0,0,0|1,0,0]=2 896 B6R0.3 CC[C@H](N)C(=O)O MCULE-5445914617 [0,1,0,0,0,0|1,0,0]=2 897 B6R0.3 CC[C@H](N)C(=O)O MCULE-7781302707 [0,1,0,0,0,0|1,0,0]=2 898 B6R0.3 CC[C@H](N)C(=O)O MCULE-8446392822 [0,1,0,0,0,0|1,0,0]=2 899 B6R0.3 CC[C@H](N)C(=[Se])O MCULE-2161876558 [0,1,0,0,0,0|1,1,0]=3 900 B6R0.3 CC[C@H](N)C(=[Se])O MCULE-6045953433 [0,1,0,0,0,0|1,1,0]=3 901 B6R0.3 CC[C@H](N)[C@@H](C)O MCULE-1930738992 [0,1,0,0,0,0|2,0,1]=4 902 B6R0.3 CC[C@H](N)[C@@H](C)O MCULE-4226147180 [0,1,0,0,0,0|2,0,1]=4 903 B6R0.3 CC[C@H](N)[C@@H](C)O MCULE-7445496718 [0,1,0,0,0,0|2,0,1]=4 904 B6R0.3 CC[C@H](N)[C@@H](C)O MCULE-9770959398 [0,1,0,0,0,0|2,0,1]=4 905 B6R0.3 CC[C@H](N)[C@H](C)O MCULE-3878355824 [0,1,0,0,0,0|2,0,1]=4 906 B6R0.3 CC[C@H](N)[C@H](C)O MCULE-4791160457 [0,1,0,0,0,0|2,0,1]=4 907 B6R0.3 CC[C@H](O)C(=O)O MCULE-4284991317 [0,1,0,0,0,0|0,0,0]=1 908 B6R0.3 CC[C@H](O)C(=O)O MCULE-6782147427 [0,1,0,0,0,0|0,0,0]=1 909 B6R0.3 CC[C@H](O)C(=O)[O-] MCULE-6073275709 [0,1,0,0,0,0|0,0,1]=2 910 B6R0.3 CC[C@H](O)C(C)C MCULE-9659963395 [0,1,0,0,0,0|2,0,1]=4 911 B6R0.3 CN(C)/C(=N/O)/N MCULE-3547286812 [0,1,0,0,0,0|3,0,0]=4 912 B6R0.3 CN(C)/C(=N\O)/N MCULE-4834817007 [0,1,0,0,0,0|3,0,0]=4 913 B6R0.3 CN(C)C(=O)CBr MCULE-8318415267 [0,1,0,0,0,0|3,0,0]=4 914 B6R0.3 CN(C)C(=O)CCl MCULE-7153641042 [0,1,0,0,0,0|3,0,0]=4 915 B6R0.3 CN(C)C(=O)CI MCULE-4437173749 [0,1,0,0,0,0|3,0,0]=4 916 B6R0.3 CN(C)C(=O)CN MCULE-2195526798 [0,1,0,0,0,0|3,0,0]=4 917 B6R0.3 CN(C)C(=O)CN MCULE-4999236521 [0,1,0,0,0,0|3,0,0]=4 918 B6R0.3 CN(C)C(=O)CN MCULE-7091962350 [0,1,0,0,0,0|3,0,0]=4 919 B6R0.3 CN(C)C(=O)CO MCULE-8470749078 [0,1,0,0,0,0|2,0,0]=3 920 B6R0.3 CN(C)C(=O)CS MCULE-2815493030 [0,1,0,0,0,0|2,1,0]=4 921 B6R0.3 CN(C)C(=O)NN MCULE-1456206497 [0,1,0,0,0,0|3,0,0]=4 922 B6R0.3 CN(C)C(=O)NO MCULE-7406409363 [0,1,0,0,0,0|2,0,0]=3 923 B6R0.3 CN(N)C(=O)NO MCULE-9258932516 [0,1,0,0,0,0|2,0,0]=3 924 B6R0.3 CN(N=O)C(=O)N MCULE-7683488639 [0,1,0,0,0,0|2,0,1]=4 925 B6R0.3 CN(O)C(=O)CN MCULE-6904940710 [0,1,0,0,0,0|2,0,0]=3 926 B6R0.3 CN(O)C(=O)CN MCULE-7352809793 [0,1,0,0,0,0|2,0,0]=3 927 B6R0.3 CNC(=O)C(=O)O MCULE-5436132271 [0,1,0,0,0,0|0,0,2]=3 928 B6R0.3 CNC(=O)C(C)Br MCULE-8111267694 [0,1,0,0,0,0|2,0,0]=3 929 B6R0.3 CNC(=O)C(C)C MCULE-9646758802 [0,1,0,0,0,0|2,0,0]=3 930 B6R0.3 CNC(=O)C(C)Cl MCULE-6524637023 [0,1,0,0,0,0|2,0,0]=3 931 B6R0.3 CNC(=O)C(C)N MCULE-2283707986 [0,1,0,0,0,0|2,0,0]=3 932 B6R0.3 CNC(=O)C(C)N MCULE-2976078375 [0,1,0,0,0,0|2,0,0]=3 933 B6R0.3 CNC(=O)C(C)N MCULE-5544490576 [0,1,0,0,0,0|2,0,0]=3 934 B6R0.3 CNC(=O)C(C)N MCULE-8815196909 [0,1,0,0,0,0|2,0,0]=3 935 B6R0.3 CNC(=O)C(C)O MCULE-4714977257 [0,1,0,0,0,0|1,0,0]=2 936 B6R0.3 CNC(=O)C(F)Br MCULE-5286609999 [0,1,0,0,0,0|3,0,0]=4 937 B6R0.3 CNC(=O)C(F)Cl MCULE-4826706725 [0,1,0,0,0,0|3,0,0]=4 938 B6R0.3 CNC(=O)C(F)I MCULE-3976975586 [0,1,0,0,0,0|3,0,0]=4 939 B6R0.3 CNC(=O)N(C)C MCULE-3799320827 [0,1,0,0,0,0|3,0,0]=4 940 B6R0.3 CNC(=O)[C@@H](C)N MCULE-4498032248 [0,1,0,0,0,0|2,0,0]=3 941 B6R0.3 CNC(=O)[C@@H](C)N MCULE-6909082129 [0,1,0,0,0,0|2,0,0]=3 942 B6R0.3 CNC(=O)[C@@H](C)N MCULE-7642558844 [0,1,0,0,0,0|2,0,0]=3 943 B6R0.3 CNC(=O)[C@@H](C)N MCULE-8543898121 [0,1,0,0,0,0|2,0,0]=3 944 B6R0.3 CNC(=O)[C@@H](C)O MCULE-8955033466 [0,1,0,0,0,0|1,0,0]=2 945 B6R0.3 CNC(=O)[C@H](C)N MCULE-5297375743 [0,1,0,0,0,0|2,0,0]=3 946 B6R0.3 CNC(=O)[C@H](C)N MCULE-6807150828 [0,1,0,0,0,0|2,0,0]=3 947 B6R0.3 CNC(=O)[C@H](C)N MCULE-8365508630 [0,1,0,0,0,0|2,0,0]=3 948 B6R0.3 CNC(=O)[C@H](C)N MCULE-9773818316 [0,1,0,0,0,0|2,0,0]=3 949 B6R0.3 CNC(=O)[C@H](C)O MCULE-8015727044 [0,1,0,0,0,0|1,0,0]=2 950 B6R0.3 CNC(C)C(=O)N MCULE-1426280147 [0,1,0,0,0,0|2,0,0]=3 951 B6R0.3 CNC(C)C(=O)N MCULE-2344663168 [0,1,0,0,0,0|2,0,0]=3 952 B6R0.3 CNC(C)C(=O)O MCULE-4088114502 [0,1,0,0,0,0|1,0,0]=2 953 B6R0.3 CNC(C)C(=O)O MCULE-7300169560 [0,1,0,0,0,0|1,0,0]=2 954 B6R0.3 CNC(C)C(=O)O MCULE-8623956615 [0,1,0,0,0,0|1,0,0]=2 955 B6R0.3 CN[C@@H](C)C(=O)N MCULE-3316985921 [0,1,0,0,0,0|2,0,0]=3 956 B6R0.3 CN[C@@H](C)C(=O)O MCULE-2079366664 [0,1,0,0,0,0|1,0,0]=2 957 B6R0.3 CN[C@@H](C)C(=O)O MCULE-4072364377 [0,1,0,0,0,0|1,0,0]=2 958 B6R0.3 CN[C@@H](C)C(=O)O MCULE-4518259073 [0,1,0,0,0,0|1,0,0]=2 959 B6R0.3 CN[C@@H](C)C(=O)O MCULE-8200069325 [0,1,0,0,0,0|1,0,0]=2 960 B6R0.3 CN[C@H](C)C(=O)O MCULE-2777429698 [0,1,0,0,0,0|1,0,0]=2 961 B6R0.3 CN[C@H](C)C(=O)O MCULE-7282734154 [0,1,0,0,0,0|1,0,0]=2 962 B6R0.3 CN[C@H](C)C(=O)O MCULE-9709122579 [0,1,0,0,0,0|1,0,0]=2 963 B6R0.3 COC(=N)C(C)C MCULE-2061399513 [0,1,0,0,0,0|2,0,0]=3 964 B6R0.3 COC(=N)C(C)C MCULE-9270611186 [0,1,0,0,0,0|2,0,0]=3 965 B6R0.3 COC(=O)C(=N)N MCULE-3129647301 [0,1,0,0,0,0|2,0,1]=4 966 B6R0.3 COC(=O)C(=N)N MCULE-4942451868 [0,1,0,0,0,0|2,0,1]=4 967 B6R0.3 COC(=O)C(=O)C MCULE-5423483210 [0,1,0,0,0,0|0,0,2]=3 968 B6R0.3 COC(=O)C(=O)Cl MCULE-1380456689 [0,1,0,0,0,0|1,0,2]=4 969 B6R0.3 COC(=O)C(=O)O MCULE-8527842270 [0,1,0,0,0,0|0,0,2]=3 970 B6R0.3 COC(=O)C(=O)[O-] MCULE-5187907456 [0,1,0,0,0,0|0,0,3]=4 971 B6R0.3 COC(=O)C(=S)N MCULE-8900860523 [0,1,0,0,0,0|1,1,1]=4 972 B6R0.3 COC(=O)C(Br)Br MCULE-7917032365 [0,1,0,0,0,0|2,0,0]=3 973 B6R0.3 COC(=O)C(C)Br MCULE-8218697195 [0,1,0,0,0,0|1,0,0]=2 974 B6R0.3 COC(=O)C(C)C MCULE-8740211817 [0,1,0,0,0,0|1,0,0]=2 975 B6R0.3 COC(=O)C(C)Cl MCULE-5874523100 [0,1,0,0,0,0|1,0,0]=2 976 B6R0.3 COC(=O)C(C)Cl MCULE-7725109837 [0,1,0,0,0,0|1,0,0]=2 977 B6R0.3 COC(=O)C(C)F MCULE-2381396302 [0,1,0,0,0,0|1,0,0]=2 978 B6R0.3 COC(=O)C(C)N MCULE-6823731158 [0,1,0,0,0,0|1,0,0]=2 979 B6R0.3 COC(=O)C(C)N MCULE-7003387212 [0,1,0,0,0,0|1,0,0]=2 980 B6R0.3 COC(=O)C(C)N MCULE-8331503444 [0,1,0,0,0,0|1,0,0]=2 981 B6R0.3 COC(=O)C(C)N MCULE-8860467123 [0,1,0,0,0,0|1,0,0]=2 982 B6R0.3 COC(=O)C(C)O MCULE-7040827393 [0,1,0,0,0,0|0,0,0]=1 983 B6R0.3 COC(=O)C(C)O MCULE-7872489483 [0,1,0,0,0,0|0,0,0]=1 984 B6R0.3 COC(=O)C(C)S MCULE-8499044680 [0,1,0,0,0,0|0,1,0]=2 985 B6R0.3 COC(=O)C(Cl)Cl MCULE-4062853805 [0,1,0,0,0,0|2,0,0]=3 986 B6R0.3 COC(=O)C(F)F MCULE-9701476276 [0,1,0,0,0,0|2,0,0]=3 987 B6R0.3 COC(=O)N(C)C MCULE-7772743169 [0,1,0,0,0,0|2,0,0]=3 988 B6R0.3 COC(=O)N(C)N MCULE-4131925989 [0,1,0,0,0,0|2,0,0]=3 989 B6R0.3 COC(=O)[C@@H](C)Br MCULE-8118895575 [0,1,0,0,0,0|1,0,0]=2 990 B6R0.3 COC(=O)[C@@H](C)Cl MCULE-1037727130 [0,1,0,0,0,0|1,0,0]=2 991 B6R0.3 COC(=O)[C@@H](C)F MCULE-4776326501 [0,1,0,0,0,0|1,0,0]=2 992 B6R0.3 COC(=O)[C@@H](C)F MCULE-8049982812 [0,1,0,0,0,0|1,0,0]=2 993 B6R0.3 COC(=O)[C@@H](C)N MCULE-6142127864 [0,1,0,0,0,0|1,0,0]=2 994 B6R0.3 COC(=O)[C@@H](C)N MCULE-6606835410 [0,1,0,0,0,0|1,0,0]=2 995 B6R0.3 COC(=O)[C@@H](C)N MCULE-7979979694 [0,1,0,0,0,0|1,0,0]=2 996 B6R0.3 COC(=O)[C@@H](C)N MCULE-9290287586 [0,1,0,0,0,0|1,0,0]=2 997 B6R0.3 COC(=O)[C@@H](C)O MCULE-5441095431 [0,1,0,0,0,0|0,0,0]=1 998 B6R0.3 COC(=O)[C@@H](C)O MCULE-6924152779 [0,1,0,0,0,0|0,0,0]=1 999 B6R0.3 COC(=O)[C@H](C)Cl MCULE-1009662992 [0,1,0,0,0,0|1,0,0]=2 1000 B6R0.3 COC(=O)[C@H](C)Cl MCULE-7624485295 [0,1,0,0,0,0|1,0,0]=2 1001 B6R0.3 COC(=O)[C@H](C)N MCULE-1665306037 [0,1,0,0,0,0|1,0,0]=2 1002 B6R0.3 COC(=O)[C@H](C)N MCULE-2941352505 [0,1,0,0,0,0|1,0,0]=2 1003 B6R0.3 COC(=O)[C@H](C)N MCULE-5314047552 [0,1,0,0,0,0|1,0,0]=2 1004 B6R0.3 COC(=O)[C@H](C)N MCULE-7930428859 [0,1,0,0,0,0|1,0,0]=2 1005 B6R0.3 COC(=O)[C@H](C)O MCULE-2590929895 [0,1,0,0,0,0|0,0,0]=1 1006 B6R0.3 COC(=O)[C@H](C)O MCULE-3292709954 [0,1,0,0,0,0|0,0,0]=1 1007 B6R0.3 COC(Br)C(=O)C MCULE-1220922171 [0,1,0,0,0,0|2,0,0]=3 1008 B6R0.3 COC(Br)C(=O)O MCULE-9018983840 [0,1,0,0,0,0|1,0,0]=2 1009 B6R0.3 COC(C)C(=O)C MCULE-8058502137 [0,1,0,0,0,0|1,0,0]=2 1010 B6R0.3 COC(C)C(=O)N MCULE-5955494048 [0,1,0,0,0,0|1,0,0]=2 1011 B6R0.3 COC(C)C(=O)O MCULE-8913745653 [0,1,0,0,0,0|0,0,0]=1 1012 B6R0.3 COC(C)C(=S)N MCULE-6827196665 [0,1,0,0,0,0|1,1,0]=3 1013 B6R0.3 COC(C)C(C)O MCULE-9844405908 [0,1,0,0,0,0|1,0,1]=3 1014 B6R0.3 COC(C)[C@@H](C)N MCULE-2029978265 [0,1,0,0,0,0|2,0,1]=4 1015 B6R0.3 COC(C)[C@@H](C)N MCULE-4755003017 [0,1,0,0,0,0|2,0,1]=4 1016 B6R0.3 COC(C)[C@@H](C)N MCULE-9820337483 [0,1,0,0,0,0|2,0,1]=4 1017 B6R0.3 COC(C)[C@@H](C)N MCULE-9820818995 [0,1,0,0,0,0|2,0,1]=4 1018 B6R0.3 CON(C)C(=O)C MCULE-8559238750 [0,1,0,0,0,0|2,0,0]=3 1019 B6R0.3 CON(C)C(=O)Cl MCULE-7217619495 [0,1,0,0,0,0|2,0,0]=3 1020 B6R0.3 CO[C@@H](C)C(=O)Cl MCULE-9335923061 [0,1,0,0,0,0|1,0,0]=2 1021 B6R0.3 CO[C@@H](C)C(=O)O MCULE-7456458246 [0,1,0,0,0,0|0,0,0]=1 1022 B6R0.3 CO[C@@H](C)C(=O)O MCULE-8108977564 [0,1,0,0,0,0|0,0,0]=1 1023 B6R0.3 CO[C@H](C)C(=O)O MCULE-3078851913 [0,1,0,0,0,0|0,0,0]=1 1024 B6R0.3 CO[C@H](C)C(=O)O MCULE-5370950850 [0,1,0,0,0,0|0,0,0]=1 1025 B6R0.3 CSC(=O)C(C)C MCULE-3533547228 [0,1,0,0,0,0|1,1,0]=3 1026 B6R0.3 CSC(C)C(=O)C MCULE-8567808254 [0,1,0,0,0,0|1,1,0]=3 1027 B6R0.3 CSC(C)C(=O)O MCULE-8062487948 [0,1,0,0,0,0|0,1,0]=2 1028 B6R0.3 CSC(C)C(C)O MCULE-9554880840 [0,1,0,0,0,0|1,1,1]=4 1029 B6R0.3 C[C@@H](CN)C(=O)O MCULE-4438181090 [0,1,0,0,0,0|1,0,0]=2 1030 B6R0.3 C[C@@H](CN)C(=O)O MCULE-4599481344 [0,1,0,0,0,0|1,0,0]=2 1031 B6R0.3 C[C@@H](CN)C(=O)O MCULE-5826933618 [0,1,0,0,0,0|1,0,0]=2 1032 B6R0.3 C[C@@H](CN)C(=O)O MCULE-5914856504 [0,1,0,0,0,0|1,0,0]=2 1033 B6R0.3 C[C@@H](CO)C(=O)O MCULE-1381224499 [0,1,0,0,0,0|0,0,0]=1 1034 B6R0.3 C[C@@H](CO)C(=O)O MCULE-4599417419 [0,1,0,0,0,0|0,0,0]=1 1035 B6R0.3 C[C@@H](CO)N(C)C MCULE-4388248602 [0,1,0,0,0,0|3,0,0]=4 1036 B6R0.3 C[C@@H](O)[C@@H](N)CO MCULE-1499224916 [0,1,0,0,0,0|1,0,1]=3 1037 B6R0.3 C[C@@H](O)[C@@H](N)CO MCULE-3539522955 [0,1,0,0,0,0|1,0,1]=3 1038 B6R0.3 C[C@@H](O)[C@H](N)CO MCULE-1381786707 [0,1,0,0,0,0|1,0,1]=3 1039 B6R0.3 C[C@@H](O)[C@H](N)CO MCULE-3627537672 [0,1,0,0,0,0|1,0,1]=3 1040 B6R0.3 C[C@@H](O)[C@H](N)CO MCULE-5429038645 [0,1,0,0,0,0|1,0,1]=3 1041 B6R0.3 C[C@@H](O)[C@H](N)CO MCULE-6146168744 [0,1,0,0,0,0|1,0,1]=3 1042 B6R0.3 C[C@@H](ON)C(=O)O MCULE-1538722507 [0,1,0,0,0,0|0,0,0]=1 1043 B6R0.3 C[C@@H](ON)C(=O)O MCULE-3835402446 [0,1,0,0,0,0|0,0,0]=1 1044 B6R0.3 C[C@H](CN)C(=O)O MCULE-3703540023 [0,1,0,0,0,0|1,0,0]=2 1045 B6R0.3 C[C@H](CN)C(=O)O MCULE-5714771083 [0,1,0,0,0,0|1,0,0]=2 1046 B6R0.3 C[C@H](CN)C(=O)O MCULE-9009901306 [0,1,0,0,0,0|1,0,0]=2 1047 B6R0.3 C[C@H](CN)C(=O)O MCULE-9217365463 [0,1,0,0,0,0|1,0,0]=2 1048 B6R0.3 C[C@H](CO)C(=O)O MCULE-7012562122 [0,1,0,0,0,0|0,0,0]=1 1049 B6R0.3 C[C@H](CO)C(=O)O MCULE-9702865885 [0,1,0,0,0,0|0,0,0]=1 1050 B6R0.3 C[C@H](CO)C(=O)[O-] MCULE-5733737039 [0,1,0,0,0,0|0,0,1]=2 1051 B6R0.3 C[C@H](N)C(=O)CCl MCULE-1387458909 [0,1,0,0,0,0|2,0,0]=3 1052 B6R0.3 C[C@H](N)C(=O)CCl MCULE-3307546885 [0,1,0,0,0,0|2,0,0]=3 1053 B6R0.3 C[C@H](O)[C@@H](N)CO MCULE-5329315346 [0,1,0,0,0,0|1,0,1]=3 1054 B6R0.3 C[C@H](O)[C@@H](N)CO MCULE-7239426628 [0,1,0,0,0,0|1,0,1]=3 1055 B6R0.3 C[C@H](O)[C@@H](N)CO MCULE-7437797788 [0,1,0,0,0,0|1,0,1]=3 1056 B6R0.3 C[C@H](O)[C@H](N)CO MCULE-2378004602 [0,1,0,0,0,0|1,0,1]=3 1057 B6R0.3 C[C@H](O)[C@H](N)CO MCULE-9436764758 [0,1,0,0,0,0|1,0,1]=3 1058 B6R0.3 C[C@H](ON)C(=O)O MCULE-3327889540 [0,1,0,0,0,0|0,0,0]=1 1059 B6R0.3 C[C@H](ON)C(=O)O MCULE-4523264650 [0,1,0,0,0,0|0,0,0]=1 1060 B6R0.3 N#CC(Br)C(=O)N MCULE-3091108124 [0,1,0,0,0,0|2,0,1]=4 1061 B6R0.3 N#CC(N)C(=O)N MCULE-3175667831 [0,1,0,0,0,0|2,0,1]=4 1062 B6R0.3 N/C(=N\O)/C(Cl)Cl MCULE-7826685582 [0,1,0,0,0,0|3,0,0]=4 1063 B6R0.3 N/C(=N\O)/C(F)F MCULE-3144106869 [0,1,0,0,0,0|3,0,0]=4 1064 B6R0.3 NC(=O)/C(=N/O)/N MCULE-6909019905 [0,1,0,0,0,0|2,0,1]=4 1065 B6R0.3 NC(=O)C(Br)CBr MCULE-3438242131 [0,1,0,0,0,0|2,0,0]=3 1066 B6R0.3 NC(=O)C(Cl)CCl MCULE-9549750186 [0,1,0,0,0,0|2,0,0]=3 1067 B6R0.3 NC(=O)C(N)CO MCULE-4842751232 [0,1,0,0,0,0|2,0,0]=3 1068 B6R0.3 NC(=O)C(N)CO MCULE-6854366147 [0,1,0,0,0,0|2,0,0]=3 1069 B6R0.3 NC(=O)C(N)CS MCULE-3144051628 [0,1,0,0,0,0|2,0,0]=3 1070 B6R0.3 NC(=O)C(N)CS MCULE-7739536595 [0,1,0,0,0,0|2,0,0]=3 1071 B6R0.3 NC(=O)[C@@H](N)CO MCULE-2185844038 [0,1,0,0,0,0|2,0,0]=3 1072 B6R0.3 NC(=O)[C@@H](N)CO MCULE-3623516041 [0,1,0,0,0,0|2,0,0]=3 1073 B6R0.3 NC(=O)[C@@H](N)CO MCULE-6218638108 [0,1,0,0,0,0|2,0,0]=3 1074 B6R0.3 NC(=O)[C@@H](N)CS MCULE-9790378691 [0,1,0,0,0,0|2,0,0]=3 1075 B6R0.3 NC(=O)[C@H](N)CO MCULE-2061645482 [0,1,0,0,0,0|2,0,0]=3 1076 B6R0.3 NC(=O)[C@H](N)CO MCULE-5920366137 [0,1,0,0,0,0|2,0,0]=3 1077 B6R0.3 NC(=O)[C@H](N)CO MCULE-7612340519 [0,1,0,0,0,0|2,0,0]=3 1078 B6R0.3 NC(=O)[C@H](N)CO MCULE-7734326153 [0,1,0,0,0,0|2,0,0]=3 1079 B6R0.3 NC(CCl)C(=O)O MCULE-1601405489 [0,1,0,0,0,0|1,0,0]=2 1080 B6R0.3 NC(CCl)C(=O)O MCULE-3020306643 [0,1,0,0,0,0|1,0,0]=2 1081 B6R0.3 NC(CCl)C(=O)O MCULE-5440349631 [0,1,0,0,0,0|1,0,0]=2 1082 B6R0.3 NC(CF)C(=O)O MCULE-3274339636 [0,1,0,0,0,0|1,0,0]=2 1083 B6R0.3 NC(CO)C(=O)O MCULE-2425237422 [0,1,0,0,0,0|1,0,0]=2 1084 B6R0.3 NC(CO)C(=O)O MCULE-6460387318 [0,1,0,0,0,0|1,0,0]=2 1085 B6R0.3 NC(CS)C(=O)O MCULE-1666411258 [0,1,0,0,0,0|1,0,0]=2 1086 B6R0.3 NC(CS)C(=O)O MCULE-2938329352 [0,1,0,0,0,0|1,0,0]=2 1087 B6R0.3 NC(CS)C(=O)O MCULE-7203902929 [0,1,0,0,0,0|1,0,0]=2 1088 B6R0.3 NC(CS)C(=O)O MCULE-7790846545 [0,1,0,0,0,0|1,0,0]=2 1089 B6R0.3 NCC(Br)C(=O)O MCULE-2289205408 [0,1,0,0,0,0|1,0,0]=2 1090 B6R0.3 NCC(Br)C(=O)O MCULE-9361399143 [0,1,0,0,0,0|1,0,0]=2 1091 B6R0.3 NCC(F)C(=O)O MCULE-5666887061 [0,1,0,0,0,0|1,0,0]=2 1092 B6R0.3 NCC(F)C(=O)O MCULE-6134707533 [0,1,0,0,0,0|1,0,0]=2 1093 B6R0.3 NCC(N)C(=O)O MCULE-1867799207 [0,1,0,0,0,0|1,0,0]=2 1094 B6R0.3 NCC(N)C(=O)O MCULE-4853376364 [0,1,0,0,0,0|1,0,0]=2 1095 B6R0.3 NCC(N)C(=O)O MCULE-7636331821 [0,1,0,0,0,0|1,0,0]=2 1096 B6R0.3 NCC(N)C(=O)O MCULE-7735444546 [0,1,0,0,0,0|1,0,0]=2 1097 B6R0.3 NCC(N)C(=O)O MCULE-9197553017 [0,1,0,0,0,0|1,0,0]=2 1098 B6R0.3 NCC(O)C(=O)N MCULE-1543465850 [0,1,0,0,0,0|1,0,0]=2 1099 B6R0.3 NCC(O)C(=O)N MCULE-9574499203 [0,1,0,0,0,0|1,0,0]=2 1100 B6R0.3 NCC(O)C(=O)O MCULE-2137675488 [0,1,0,0,0,0|0,0,0]=1 1101 B6R0.3 NCC(O)C(=O)O MCULE-3348306437 [0,1,0,0,0,0|0,0,0]=1 1102 B6R0.3 NCC(O)C(F)F MCULE-3263599594 [0,1,0,0,0,0|2,0,1]=4 1103 B6R0.3 NCC(O)C(F)F MCULE-6925242752 [0,1,0,0,0,0|2,0,1]=4 1104 B6R0.3 NC[C@@H](F)C(=O)O MCULE-3544959183 [0,1,0,0,0,0|1,0,0]=2 1105 B6R0.3 NC[C@@H](F)C(=O)O MCULE-4122418685 [0,1,0,0,0,0|1,0,0]=2 1106 B6R0.3 NC[C@@H](F)C(=O)O MCULE-8592364466 [0,1,0,0,0,0|1,0,0]=2 1107 B6R0.3 NC[C@@H](F)C(=O)O MCULE-9106826144 [0,1,0,0,0,0|1,0,0]=2 1108 B6R0.3 NC[C@@H](N)C(=O)O MCULE-5363126654 [0,1,0,0,0,0|1,0,0]=2 1109 B6R0.3 NC[C@@H](N)C(=O)O MCULE-8998345978 [0,1,0,0,0,0|1,0,0]=2 1110 B6R0.3 NC[C@@H](N)C(=O)O MCULE-9125384126 [0,1,0,0,0,0|1,0,0]=2 1111 B6R0.3 NC[C@@H](O)C(=O)O MCULE-5922773276 [0,1,0,0,0,0|0,0,0]=1 1112 B6R0.3 NC[C@@H](O)C(=O)O MCULE-8921832932 [0,1,0,0,0,0|0,0,0]=1 1113 B6R0.3 NC[C@H](F)C(=O)O MCULE-2695037152 [0,1,0,0,0,0|1,0,0]=2 1114 B6R0.3 NC[C@H](F)C(=O)O MCULE-4323150722 [0,1,0,0,0,0|1,0,0]=2 1115 B6R0.3 NC[C@H](F)C(=O)O MCULE-6701791437 [0,1,0,0,0,0|1,0,0]=2 1116 B6R0.3 NC[C@H](F)C(=O)O MCULE-7674783008 [0,1,0,0,0,0|1,0,0]=2 1117 B6R0.3 NC[C@H](N)C(=O)O MCULE-1389567062 [0,1,0,0,0,0|1,0,0]=2 1118 B6R0.3 NC[C@H](N)C(=O)O MCULE-1833064192 [0,1,0,0,0,0|1,0,0]=2 1119 B6R0.3 NC[C@H](N)C(=O)O MCULE-2347369254 [0,1,0,0,0,0|1,0,0]=2 1120 B6R0.3 NC[C@H](N)C(=O)O MCULE-2781423323 [0,1,0,0,0,0|1,0,0]=2 1121 B6R0.3 NC[C@H](N)C(=O)O MCULE-6498458695 [0,1,0,0,0,0|1,0,0]=2 1122 B6R0.3 NC[C@H](N)C(=O)O MCULE-8313668715 [0,1,0,0,0,0|1,0,0]=2 1123 B6R0.3 NC[C@H](O)C(=O)O MCULE-5854124012 [0,1,0,0,0,0|0,0,0]=1 1124 B6R0.3 NC[C@H](O)C(=O)O MCULE-7536593166 [0,1,0,0,0,0|0,0,0]=1 1125 B6R0.3 NNC(=O)C(F)F MCULE-4217828449 [0,1,0,0,0,0|3,0,0]=4 1126 B6R0.3 NNC(=O)C(F)F MCULE-5359326999 [0,1,0,0,0,0|3,0,0]=4 1127 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-2896868744 [0,1,0,0,0,0|1,0,0]=2 1128 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-5799339909 [0,1,0,0,0,0|1,0,0]=2 1129 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-7445121230 [0,1,0,0,0,0|1,0,0]=2 1130 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-9137000163 [0,1,0,0,0,0|1,0,0]=2 1131 B6R0.3 N[C@@H](CO)C(=O)O MCULE-4580794842 [0,1,0,0,0,0|1,0,0]=2 1132 B6R0.3 N[C@@H](CO)C(=O)O MCULE-5604658333 [0,1,0,0,0,0|1,0,0]=2 1133 B6R0.3 N[C@@H](CO)C(=O)O MCULE-5884286841 [0,1,0,0,0,0|1,0,0]=2 1134 B6R0.3 N[C@@H](CO)C(=O)O MCULE-6118038121 [0,1,0,0,0,0|1,0,0]=2 1135 B6R0.3 N[C@@H](CS)C(=O)O MCULE-1896679526 [0,1,0,0,0,0|1,0,0]=2 1136 B6R0.3 N[C@@H](CS)C(=O)O MCULE-2206038012 [0,1,0,0,0,0|1,0,0]=2 1137 B6R0.3 N[C@@H](CS)C(=O)O MCULE-6337217524 [0,1,0,0,0,0|1,0,0]=2 1138 B6R0.3 N[C@@H](CS)C(=O)O MCULE-9685479191 [0,1,0,0,0,0|1,0,0]=2 1139 B6R0.3 N[C@H](CCl)C(=O)O MCULE-2647266636 [0,1,0,0,0,0|1,0,0]=2 1140 B6R0.3 N[C@H](CCl)C(=O)O MCULE-7797369596 [0,1,0,0,0,0|1,0,0]=2 1141 B6R0.3 N[C@H](CCl)C(=O)O MCULE-8133148482 [0,1,0,0,0,0|1,0,0]=2 1142 B6R0.3 N[C@H](CCl)C(=O)O MCULE-9324545858 [0,1,0,0,0,0|1,0,0]=2 1143 B6R0.3 N[C@H](CF)C(=O)O MCULE-4766495272 [0,1,0,0,0,0|1,0,0]=2 1144 B6R0.3 N[C@H](CF)C(=O)O MCULE-7679315401 [0,1,0,0,0,0|1,0,0]=2 1145 B6R0.3 N[C@H](CO)C(=O)O MCULE-3271603208 [0,1,0,0,0,0|1,0,0]=2 1146 B6R0.3 N[C@H](CO)C(=O)O MCULE-8560981570 [0,1,0,0,0,0|1,0,0]=2 1147 B6R0.3 N[C@H](CS)C(=O)O MCULE-2137827959 [0,1,0,0,0,0|1,0,0]=2 1148 B6R0.3 N[C@H](CS)C(=O)O MCULE-4521387126 [0,1,0,0,0,0|1,0,0]=2 1149 B6R0.3 N[C@H](CS)C(=O)O MCULE-7201506202 [0,1,0,0,0,0|1,0,0]=2 1150 B6R0.3 N[C@H](CS)C(=O)O MCULE-9147562606 [0,1,0,0,0,0|1,0,0]=2 1151 B6R0.3 O=C(CBr)C(Br)Br MCULE-6224408372 [0,1,0,0,0,0|3,0,0]=4 1152 B6R0.3 O=C(CBr)C(F)F MCULE-3084968547 [0,1,0,0,0,0|3,0,0]=4 1153 B6R0.3 O=C(CCl)C(Cl)Cl MCULE-7821845366 [0,1,0,0,0,0|3,0,0]=4 1154 B6R0.3 O=C(Cl)C(=O)CBr MCULE-1637788630 [0,1,0,0,0,0|1,0,2]=4 1155 B6R0.3 O=C(Cl)C(Br)CBr MCULE-8490174834 [0,1,0,0,0,0|2,0,0]=3 1156 B6R0.3 O=C(Cl)C(Cl)CCl MCULE-5571003994 [0,1,0,0,0,0|2,0,0]=3 1157 B6R0.3 O=C(O)/C(=C/Cl)/Cl MCULE-4317518344 [0,1,0,0,0,0|1,0,2]=4 1158 B6R0.3 O=C(O)C(=CCl)Cl MCULE-2693859334 [0,1,0,0,0,0|1,0,2]=4 1159 B6R0.3 O=C(O)C(=O)CBr MCULE-4768170572 [0,1,0,0,0,0|0,0,2]=3 1160 B6R0.3 O=C(O)C(=O)CCl MCULE-7853426045 [0,1,0,0,0,0|0,0,2]=3 1161 B6R0.3 O=C(O)C(=O)CF MCULE-5884987827 [0,1,0,0,0,0|0,0,2]=3 1162 B6R0.3 O=C(O)C(=O)CO MCULE-2263002631 [0,1,0,0,0,0|0,0,2]=3 1163 B6R0.3 O=C(O)C(=O)CS MCULE-7466669113 [0,1,0,0,0,0|0,0,2]=3 1164 B6R0.3 O=C(O)C(Br)CBr MCULE-9991448725 [0,1,0,0,0,0|1,0,0]=2 1165 B6R0.3 O=C(O)C(Br)CF MCULE-6577995297 [0,1,0,0,0,0|1,0,0]=2 1166 B6R0.3 O=C(O)C(Br)CO MCULE-9060407295 [0,1,0,0,0,0|1,0,0]=2 1167 B6R0.3 O=C(O)C(Cl)CCl MCULE-4757238565 [0,1,0,0,0,0|1,0,0]=2 1168 B6R0.3 O=C(O)C(Cl)CO MCULE-3671026398 [0,1,0,0,0,0|1,0,0]=2 1169 B6R0.3 O=C(O)C(F)CF MCULE-4323199927 [0,1,0,0,0,0|1,0,0]=2 1170 B6R0.3 O=C(O)C(O)CBr MCULE-2600199692 [0,1,0,0,0,0|0,0,0]=1 1171 B6R0.3 O=C(O)C(O)CCl MCULE-6346810624 [0,1,0,0,0,0|0,0,0]=1 1172 B6R0.3 O=C(O)C(O)CO MCULE-3634533503 [0,1,0,0,0,0|0,0,0]=1 1173 B6R0.3 O=C(O)[C@@H](Br)CO MCULE-4486884639 [0,1,0,0,0,0|1,0,0]=2 1174 B6R0.3 O=C(O)[C@@H](Br)CO MCULE-8586594526 [0,1,0,0,0,0|1,0,0]=2 1175 B6R0.3 O=C(O)[C@@H](O)CCl MCULE-4927034524 [0,1,0,0,0,0|0,0,0]=1 1176 B6R0.3 O=C(O)[C@@H](O)CO MCULE-4917119993 [0,1,0,0,0,0|0,0,0]=1 1177 B6R0.3 O=C(O)[C@@H](O)CO MCULE-7996851129 [0,1,0,0,0,0|0,0,0]=1 1178 B6R0.3 O=C(O)[C@H](Br)CO MCULE-3770944978 [0,1,0,0,0,0|1,0,0]=2 1179 B6R0.3 O=C(O)[C@H](Br)CO MCULE-6926119866 [0,1,0,0,0,0|1,0,0]=2 1180 B6R0.3 O=C(O)[C@H](O)CF MCULE-4453713074 [0,1,0,0,0,0|0,0,0]=1 1181 B6R0.3 O=C([O-])C(=O)CF MCULE-9109967389 [0,1,0,0,0,0|0,0,3]=4 1182 B6R0.3 O=C([O-])C(=O)CS MCULE-4375165973 [0,1,0,0,0,0|0,0,3]=4 1183 B6R0.3 O=C([O-])[C@@H](O)CO MCULE-4498291090 [0,1,0,0,0,0|0,0,1]=2 1184 B6R0.3 O=N(=O)C(Br)CO MCULE-2147001744 [0,1,0,0,0,0|2,0,1]=4 1185 B6R0.3 OC(CBr)C(F)F MCULE-2512834773 [0,1,0,0,0,0|2,0,1]=4 1186 B6R0.3 OC[C@@H](O)C(F)F MCULE-5042610356 [0,1,0,0,0,0|2,0,1]=4 1187 B6R0.3 OC[C@@H](O)C(F)F MCULE-8643910063 [0,1,0,0,0,0|2,0,1]=4 1188 B6R0.3 [C@@H](N)(C=C)C(=O)O MCULE-9406839633 [0,1,0,0,0,0|1,0,1]=3 1189 B6R0.3 [C@@H](N)(CN)C(=O)O MCULE-2844054083 [0,1,0,0,0,0|1,0,0]=2 1190 B6R0.3 [C@H](C)(Cl)C(=O)OC MCULE-7212330759 [0,1,0,0,0,0|1,0,0]=2 1191 B6R0.3 [C@H](C)(NC)C(=O)O MCULE-3677465746 [0,1,0,0,0,0|1,0,0]=2 1192 B6R0.3 [C@H](N)(CO)C(=O)N MCULE-2792784400 [0,1,0,0,0,0|2,0,0]=3 1193 B6R0.3 [C@H](S)(CC)C(=O)O MCULE-4267293279 [0,1,0,0,0,0|0,1,0]=2 1194 B6R0.3 [SeH]C[C@H](N)C(=O)O MCULE-8205075370 [0,1,0,0,0,0|1,0,0]=2 1195 B6R0.7 C=C(Br)C(C)(C)C MCULE-2463544596 [0,1,0,0,0,0|3,0,0]=4 1196 B6R0.7 C=C(C)C(C)(C)C MCULE-9196090881 [0,1,0,0,0,0|3,0,0]=4 1197 B6R0.7 C=C(C)P(=O)(O)O MCULE-4023318169 [0,1,0,0,0,0|2,0,1]=4 1198 B6R0.7 CC(=O)C(C)(C)Br MCULE-2211649171 [0,1,0,0,0,0|2,0,0]=3 1199 B6R0.7 CC(=O)C(C)(C)C MCULE-9731323161 [0,1,0,0,0,0|2,0,0]=3 1200 B6R0.7 CC(=O)C(C)(C)Cl MCULE-3074145802 [0,1,0,0,0,0|2,0,0]=3 1201 B6R0.7 CC(=O)C(C)(C)N MCULE-8236547032 [0,1,0,0,0,0|2,0,0]=3 1202 B6R0.7 CC(=O)C(C)(C)N MCULE-9736681939 [0,1,0,0,0,0|2,0,0]=3 1203 B6R0.7 CC(=O)C(C)(C)O MCULE-1535627387 [0,1,0,0,0,0|1,0,0]=2 1204 B6R0.7 CC(=O)C(C)(F)F MCULE-7856452896 [0,1,0,0,0,0|2,0,0]=3 1205 B6R0.7 CC(=O)C(Cl)(Cl)Cl MCULE-6100811363 [0,1,0,0,0,0|3,0,0]=4 1206 B6R0.7 CC(=O)C(F)(F)F MCULE-2923472378 [0,1,0,0,0,0|3,0,0]=4 1207 B6R0.7 CC(=O)[Si](C)(C)C MCULE-2207276552 [0,1,0,0,0,0|2,1,0]=4 1208 B6R0.7 CC(Br)(Br)C(=O)O MCULE-1654765678 [0,1,0,0,0,0|1,0,0]=2 1209 B6R0.7 CC(Br)C(C)(C)O MCULE-8852960455 [0,1,0,0,0,0|2,0,1]=4 1210 B6R0.7 CC(C)(Br)C(=O)Br MCULE-3927664220 [0,1,0,0,0,0|2,0,0]=3 1211 B6R0.7 CC(C)(Br)C(=O)Cl MCULE-4186209269 [0,1,0,0,0,0|2,0,0]=3 1212 B6R0.7 CC(C)(Br)C(=O)N MCULE-9238574572 [0,1,0,0,0,0|2,0,0]=3 1213 B6R0.7 CC(C)(Br)C(=O)O MCULE-9443967216 [0,1,0,0,0,0|1,0,0]=2 1214 B6R0.7 CC(C)(Br)N(=O)=O MCULE-3797855170 [0,1,0,0,0,0|2,0,1]=4 1215 B6R0.7 CC(C)(C)B(O)O MCULE-9781009287 [0,1,0,0,0,0|2,0,1]=4 1216 B6R0.7 CC(C)(C)C(=N)N MCULE-7680688413 [0,1,0,0,0,0|3,0,0]=4 1217 B6R0.7 CC(C)(C)C(=N)N MCULE-8879048174 [0,1,0,0,0,0|3,0,0]=4 1218 B6R0.7 CC(C)(C)C(=O)Cl MCULE-2528821101 [0,1,0,0,0,0|2,0,0]=3 1219 B6R0.7 CC(C)(C)C(=O)N MCULE-1267347906 [0,1,0,0,0,0|2,0,0]=3 1220 B6R0.7 CC(C)(C)C(=O)O MCULE-7166067227 [0,1,0,0,0,0|1,0,0]=2 1221 B6R0.7 CC(C)(C)C(=O)[O-] MCULE-3836080044 [0,1,0,0,0,0|1,0,1]=3 1222 B6R0.7 CC(C)(C)C(=O)[O-] MCULE-4231941340 [0,1,0,0,0,0|1,0,1]=3 1223 B6R0.7 CC(C)(C)C(=S)N MCULE-3063566984 [0,1,0,0,0,0|2,1,0]=4 1224 B6R0.7 CC(C)(C)N(=O)=O MCULE-5389027053 [0,1,0,0,0,0|2,0,1]=4 1225 B6R0.7 CC(C)(C)S(=O)Cl MCULE-2395244349 [0,1,0,0,0,0|3,0,0]=4 1226 B6R0.7 CC(C)(C)S(=O)N MCULE-4119217508 [0,1,0,0,0,0|3,0,0]=4 1227 B6R0.7 CC(C)(C)S(=O)N MCULE-8120769030 [0,1,0,0,0,0|3,0,0]=4 1228 B6R0.7 CC(C)(C)S(=O)O MCULE-4329334255 [0,1,0,0,0,0|2,0,0]=3 1229 B6R0.7 CC(C)(C)S(=O)[O-] MCULE-9734265000 [0,1,0,0,0,0|2,0,1]=4 1230 B6R0.7 CC(C)(C)[S@@](=O)N MCULE-7239306561 [0,1,0,0,0,0|3,0,0]=4 1231 B6R0.7 CC(C)(C)[S@@](=O)N MCULE-8191878313 [0,1,0,0,0,0|3,0,0]=4 1232 B6R0.7 CC(C)(C)[S@](=O)N MCULE-1205816977 [0,1,0,0,0,0|3,0,0]=4 1233 B6R0.7 CC(C)(C)[S@](=O)N MCULE-6974247624 [0,1,0,0,0,0|3,0,0]=4 1234 B6R0.7 CC(C)(Cl)C(=O)Cl MCULE-1923898716 [0,1,0,0,0,0|2,0,0]=3 1235 B6R0.7 CC(C)(Cl)C(=O)O MCULE-4744644193 [0,1,0,0,0,0|1,0,0]=2 1236 B6R0.7 CC(C)(Cl)N(=O)=O MCULE-9123451241 [0,1,0,0,0,0|2,0,1]=4 1237 B6R0.7 CC(C)(F)C(=O)Cl MCULE-5874577670 [0,1,0,0,0,0|2,0,0]=3 1238 B6R0.7 CC(C)(F)C(=O)N MCULE-7528431736 [0,1,0,0,0,0|2,0,0]=3 1239 B6R0.7 CC(C)(F)C(=O)O MCULE-9323110637 [0,1,0,0,0,0|1,0,0]=2 1240 B6R0.7 CC(C)(N)C(=N)N MCULE-2891169783 [0,1,0,0,0,0|3,0,0]=4 1241 B6R0.7 CC(C)(N)C(=O)Cl MCULE-1303488979 [0,1,0,0,0,0|2,0,0]=3 1242 B6R0.7 CC(C)(N)C(=O)N MCULE-4893991321 [0,1,0,0,0,0|2,0,0]=3 1243 B6R0.7 CC(C)(N)C(=O)N MCULE-7819904882 [0,1,0,0,0,0|2,0,0]=3 1244 B6R0.7 CC(C)(N)C(=O)O MCULE-4254251799 [0,1,0,0,0,0|1,0,0]=2 1245 B6R0.7 CC(C)(N)C(=O)O MCULE-6175880842 [0,1,0,0,0,0|1,0,0]=2 1246 B6R0.7 CC(C)(O)C(=N)N MCULE-4499579707 [0,1,0,0,0,0|2,0,0]=3 1247 B6R0.7 CC(C)(O)C(=N)N MCULE-5382519131 [0,1,0,0,0,0|2,0,0]=3 1248 B6R0.7 CC(C)(O)C(=O)N MCULE-9151369011 [0,1,0,0,0,0|1,0,0]=2 1249 B6R0.7 CC(C)(O)C(=O)O MCULE-4093617756 [0,1,0,0,0,0|0,0,0]=1 1250 B6R0.7 CC(C)(O)C(F)F MCULE-8985905844 [0,1,0,0,0,0|2,0,1]=4 1251 B6R0.7 CC(C)(S)C(=O)O MCULE-1863706684 [0,1,0,0,0,0|0,1,0]=2 1252 B6R0.7 CC(C)C(C)(C)O MCULE-9552110431 [0,1,0,0,0,0|2,0,1]=4 1253 B6R0.7 CC(C)P(=O)(O)O MCULE-4572861400 [0,1,0,0,0,0|2,0,0]=3 1254 B6R0.7 CC(C)S(=N)(=O)C MCULE-6389709038 [0,1,0,0,0,0|3,0,0]=4 1255 B6R0.7 CC(C)S(=O)(=O)C MCULE-1630518669 [0,1,0,0,0,0|2,0,1]=4 1256 B6R0.7 CC(C)S(=O)(=O)Cl MCULE-9385900902 [0,1,0,0,0,0|2,0,1]=4 1257 B6R0.7 CC(C)S(=O)(=O)F MCULE-8621287493 [0,1,0,0,0,0|2,0,1]=4 1258 B6R0.7 CC(C)S(=O)(=O)N MCULE-7940692200 [0,1,0,0,0,0|2,0,1]=4 1259 B6R0.7 CC(C)S(=O)(=O)O MCULE-2568394676 [0,1,0,0,0,0|2,0,0]=3 1260 B6R0.7 CC(C)S(=O)(=O)[O-] MCULE-1225706200 [0,1,0,0,0,0|2,0,1]=4 1261 B6R0.7 CC(Cl)(Cl)C(=O)Cl MCULE-8935732005 [0,1,0,0,0,0|2,0,0]=3 1262 B6R0.7 CC(Cl)(Cl)C(=O)O MCULE-8201912740 [0,1,0,0,0,0|1,0,0]=2 1263 B6R0.7 CC(Cl)(Cl)C(=O)[O-] MCULE-7677513008 [0,1,0,0,0,0|1,0,1]=3 1264 B6R0.7 CC(Cl)(Cl)N(=O)=O MCULE-1283818241 [0,1,0,0,0,0|2,0,1]=4 1265 B6R0.7 CC(F)(Br)C(=O)O MCULE-5584369540 [0,1,0,0,0,0|1,0,0]=2 1266 B6R0.7 CC(F)(F)C(=O)N MCULE-2299323235 [0,1,0,0,0,0|2,0,0]=3 1267 B6R0.7 CC(F)(F)C(=O)O MCULE-3936632737 [0,1,0,0,0,0|1,0,0]=2 1268 B6R0.7 CC(F)(F)C(=O)[O-] MCULE-1039544757 [0,1,0,0,0,0|1,0,1]=3 1269 B6R0.7 CC(F)(F)C(=S)O MCULE-6682853344 [0,1,0,0,0,0|1,1,0]=3 1270 B6R0.7 CC(F)(F)C(=S)[O-] MCULE-2539993436 [0,1,0,0,0,0|1,1,1]=4 1271 B6R0.7 CC(F)(F)S(=O)[O-] MCULE-3491775773 [0,1,0,0,0,0|2,0,1]=4 1272 B6R0.7 CC(F)(F)S(=O)[O-] MCULE-5393154799 [0,1,0,0,0,0|2,0,1]=4 1273 B6R0.7 CC(I)C(C)(C)O MCULE-2789802208 [0,1,0,0,0,0|2,0,1]=4 1274 B6R0.7 CC(N)C(C)(C)O MCULE-4039964918 [0,1,0,0,0,0|2,0,1]=4 1275 B6R0.7 CC(N)P(=O)(O)O MCULE-6335375089 [0,1,0,0,0,0|2,0,0]=3 1276 B6R0.7 CC(O)C(C)(C)C MCULE-7642386536 [0,1,0,0,0,0|2,0,1]=4 1277 B6R0.7 CC(O)C(C)(C)N MCULE-3194936121 [0,1,0,0,0,0|2,0,1]=4 1278 B6R0.7 CC(O)C(C)(C)N MCULE-6694352146 [0,1,0,0,0,0|2,0,1]=4 1279 B6R0.7 CC(O)C(C)(C)O MCULE-6808101269 [0,1,0,0,0,0|1,0,1]=3 1280 B6R0.7 CC(O)C(Cl)(Cl)Cl MCULE-5935806357 [0,1,0,0,0,0|2,0,1]=4 1281 B6R0.7 CC(O)C(F)(F)F MCULE-7932621726 [0,1,0,0,0,0|2,0,1]=4 1282 B6R0.7 CC(O)C(F)(F)F MCULE-9204617232 [0,1,0,0,0,0|2,0,1]=4 1283 B6R0.7 CS(=O)C(C)(C)C MCULE-5479134400 [0,1,0,0,0,0|3,0,0]=4 1284 B6R0.7 C[C@@H](N)C(C)(C)O MCULE-3417639330 [0,1,0,0,0,0|2,0,1]=4 1285 B6R0.7 C[C@@H](N)C(C)(C)O MCULE-4565477059 [0,1,0,0,0,0|2,0,1]=4 1286 B6R0.7 C[C@@H](N)C(C)(C)O MCULE-6545041854 [0,1,0,0,0,0|2,0,1]=4 1287 B6R0.7 C[C@@H](N)C(C)(C)O MCULE-7923052614 [0,1,0,0,0,0|2,0,1]=4 1288 B6R0.7 C[C@@H](N)P(=O)(O)O MCULE-6555656905 [0,1,0,0,0,0|2,0,0]=3 1289 B6R0.7 C[C@@H](O)C(C)(C)C MCULE-7929838583 [0,1,0,0,0,0|2,0,1]=4 1290 B6R0.7 C[C@@H](O)C(F)(F)F MCULE-2563742748 [0,1,0,0,0,0|2,0,1]=4 1291 B6R0.7 C[C@H](N)C(C)(C)O MCULE-2544089301 [0,1,0,0,0,0|2,0,1]=4 1292 B6R0.7 C[C@H](N)C(C)(C)O MCULE-3586309450 [0,1,0,0,0,0|2,0,1]=4 1293 B6R0.7 C[C@H](N)C(C)(C)O MCULE-3878079754 [0,1,0,0,0,0|2,0,1]=4 1294 B6R0.7 C[C@H](N)C(C)(C)O MCULE-6958997632 [0,1,0,0,0,0|2,0,1]=4 1295 B6R0.7 C[C@H](N)P(=O)(O)O MCULE-8139992515 [0,1,0,0,0,0|2,0,0]=3 1296 B6R0.7 C[C@H](O)C(C)(C)C MCULE-8207064949 [0,1,0,0,0,0|2,0,1]=4 1297 B6R0.7 C[C@H](O)C(C)(C)O MCULE-5048641902 [0,1,0,0,0,0|1,0,1]=3 1298 B6R0.7 C[C@H](O)C(F)(F)F MCULE-2310271940 [0,1,0,0,0,0|2,0,1]=4 1299 B6R0.7 C[C@H](O)C(F)(F)F MCULE-8236579487 [0,1,0,0,0,0|2,0,1]=4 1300 B6R0.7 NC(=O)C(Cl)(Cl)Cl MCULE-6471792332 [0,1,0,0,0,0|3,0,0]=4 1301 B6R0.7 NC(=O)C(F)(Br)Br MCULE-2101860120 [0,1,0,0,0,0|3,0,0]=4 1302 B6R0.7 NC(=O)C(F)(F)Br MCULE-3558144165 [0,1,0,0,0,0|3,0,0]=4 1303 B6R0.7 NC(=O)C(F)(F)Cl MCULE-5829864769 [0,1,0,0,0,0|3,0,0]=4 1304 B6R0.7 NC(=O)C(F)(F)F MCULE-5736855180 [0,1,0,0,0,0|3,0,0]=4 1305 B6R0.7 O=C(Br)C(F)(F)Br MCULE-5478960608 [0,1,0,0,0,0|3,0,0]=4 1306 B6R0.7 O=C(Br)C(F)(F)Cl MCULE-6581863240 [0,1,0,0,0,0|3,0,0]=4 1307 B6R0.7 O=C(Cl)C(Cl)(Cl)Cl MCULE-9966039366 [0,1,0,0,0,0|3,0,0]=4 1308 B6R0.7 O=C(Cl)C(F)(F)Br MCULE-9571268066 [0,1,0,0,0,0|3,0,0]=4 1309 B6R0.7 O=C(Cl)C(F)(F)Cl MCULE-6153620949 [0,1,0,0,0,0|3,0,0]=4 1310 B6R0.7 O=C(F)C(F)(F)Cl MCULE-2108099870 [0,1,0,0,0,0|3,0,0]=4 1311 B6R0.7 O=C(F)C(F)(F)F MCULE-2227745288 [0,1,0,0,0,0|3,0,0]=4 1312 B6R0.7 O=C(F)C(F)(F)I MCULE-5302929173 [0,1,0,0,0,0|3,0,0]=4 1313 B6R0.7 O=C(O)C(Br)(Br)Br MCULE-4004191582 [0,1,0,0,0,0|2,0,0]=3 1314 B6R0.7 O=C(O)C(Cl)(Br)Br MCULE-9131760998 [0,1,0,0,0,0|2,0,0]=3 1315 B6R0.7 O=C(O)C(Cl)(Cl)Cl MCULE-1368734775 [0,1,0,0,0,0|2,0,0]=3 1316 B6R0.7 O=C(O)C(F)(Br)Br MCULE-7267386731 [0,1,0,0,0,0|2,0,0]=3 1317 B6R0.7 O=C(O)C(F)(Cl)Cl MCULE-2262288122 [0,1,0,0,0,0|2,0,0]=3 1318 B6R0.7 O=C(O)C(F)(F)Br MCULE-2634780711 [0,1,0,0,0,0|2,0,0]=3 1319 B6R0.7 O=C(O)C(F)(F)Cl MCULE-4915780097 [0,1,0,0,0,0|2,0,0]=3 1320 B6R0.7 O=C(O)C(F)(F)F MCULE-1123900266 [0,1,0,0,0,0|2,0,0]=3 1321 B6R0.7 O=C(O)C(F)(F)F MCULE-1306154157 [0,1,0,0,0,0|2,0,0]=3 1322 B6R0.7 O=C(O)C(F)(F)F MCULE-1561231965 [0,1,0,0,0,0|2,0,0]=3 1323 B6R0.7 O=C(O)C(F)(F)F MCULE-1816747517 [0,1,0,0,0,0|2,0,0]=3 1324 B6R0.7 O=C(O)C(F)(F)F MCULE-2319878190 [0,1,0,0,0,0|2,0,0]=3 1325 B6R0.7 O=C(O)C(F)(F)F MCULE-2350887018 [0,1,0,0,0,0|2,0,0]=3 1326 B6R0.7 O=C(O)C(F)(F)F MCULE-3649131132 [0,1,0,0,0,0|2,0,0]=3 1327 B6R0.7 O=C(O)C(F)(F)F MCULE-4102655453 [0,1,0,0,0,0|2,0,0]=3 1328 B6R0.7 O=C(O)C(F)(F)F MCULE-4310110442 [0,1,0,0,0,0|2,0,0]=3 1329 B6R0.7 O=C(O)C(F)(F)F MCULE-4552778330 [0,1,0,0,0,0|2,0,0]=3 1330 B6R0.7 O=C(O)C(F)(F)F MCULE-7120837354 [0,1,0,0,0,0|2,0,0]=3 1331 B6R0.7 O=C(O)C(F)(F)F MCULE-7149887430 [0,1,0,0,0,0|2,0,0]=3 1332 B6R0.7 O=C(O)C(F)(F)F MCULE-7852591452 [0,1,0,0,0,0|2,0,0]=3 1333 B6R0.7 O=C(O)C(F)(F)F MCULE-8109453485 [0,1,0,0,0,0|2,0,0]=3 1334 B6R0.7 O=C(O)C(F)(F)F MCULE-8676558809 [0,1,0,0,0,0|2,0,0]=3 1335 B6R0.7 O=C(O)C(F)(F)F MCULE-9277867041 [0,1,0,0,0,0|2,0,0]=3 1336 B6R0.7 O=C(O)C(F)(F)F MCULE-9449194409 [0,1,0,0,0,0|2,0,0]=3 1337 B6R0.7 O=C(O)C(F)(F)F MCULE-9734884974 [0,1,0,0,0,0|2,0,0]=3 1338 B6R0.7 O=C(O)C(F)(F)F MCULE-9976402631 [0,1,0,0,0,0|2,0,0]=3 1339 B6R0.7 O=C(O)C(F)(F)I MCULE-5082044093 [0,1,0,0,0,0|2,0,0]=3 1340 B6R0.7 O=C(O)P(=O)(O)O MCULE-6294437098 [0,1,0,0,0,0|2,0,0]=3 1341 B6R0.7 O=C([O-])C(F)(Cl)Cl MCULE-8959926124 [0,1,0,0,0,0|2,0,1]=4 1342 B6R0.7 O=C([O-])C(F)(F)Br MCULE-3768949349 [0,1,0,0,0,0|2,0,1]=4 1343 B6R0.7 O=C([O-])C(F)(F)Br MCULE-9290919709 [0,1,0,0,0,0|2,0,1]=4 1344 B6R0.7 O=C([O-])C(F)(F)F MCULE-1802607551 [0,1,0,0,0,0|2,0,1]=4 1345 B6R0.7 O=C([O-])C(F)(F)F MCULE-8482869000 [0,1,0,0,0,0|2,0,1]=4 1346 B6R0.7 O=S(=O)(O)C(F)F MCULE-4939358296 [0,1,0,0,0,0|3,0,0]=4 1347 B6R0.7 [C@H](C)(O)C(F)(F)F MCULE-3479344719 [0,1,0,0,0,0|2,0,1]=4 1348 B6R1.4 CC1CCC1=O MCULE-4548181715 [0,0,0,1,0,0|2,0,0]=3 1349 B6R1.4 CC1CCC1O MCULE-3852133104 [0,0,0,1,0,0|2,0,1]=4 1350 B6R1.4 CC1CNC1=O MCULE-5523309752 [0,0,0,1,0,0|2,0,0]=3 1351 B6R1.4 CC1COC1=O MCULE-9711165188 [0,0,0,1,0,0|1,0,0]=2 1352 B6R1.4 CC1NCC1O MCULE-6512695808 [0,0,0,1,0,0|2,0,1]=4 1353 B6R1.4 CC1NCC1O MCULE-8357296054 [0,0,0,1,0,0|2,0,1]=4 1354 B6R1.4 CC1OCC1=O MCULE-7718609686 [0,0,0,1,0,0|1,0,0]=2 1355 B6R1.4 CC1OCC1O MCULE-1893283492 [0,0,0,1,0,0|1,0,1]=3 1356 B6R1.4 C[C@@H]1NC[C@@H]1O MCULE-1528414534 [0,0,0,1,0,0|2,0,1]=4 1357 B6R1.4 C[C@@H]1NC[C@@H]1O MCULE-2910306067 [0,0,0,1,0,0|2,0,1]=4 1358 B6R1.4 C[C@@H]1NC[C@@H]1O MCULE-3197698089 [0,0,0,1,0,0|2,0,1]=4 1359 B6R1.4 C[C@@H]1NC[C@@H]1O MCULE-3295326997 [0,0,0,1,0,0|2,0,1]=4 1360 B6R1.4 C[C@@H]1NC[C@@H]1O MCULE-5640695802 [0,0,0,1,0,0|2,0,1]=4 1361 B6R1.4 C[C@@H]1NC[C@@H]1O MCULE-7598216076 [0,0,0,1,0,0|2,0,1]=4 1362 B6R1.4 C[C@@H]1NC[C@H]1O MCULE-3152396704 [0,0,0,1,0,0|2,0,1]=4 1363 B6R1.4 C[C@@H]1NC[C@H]1O MCULE-3248209918 [0,0,0,1,0,0|2,0,1]=4 1364 B6R1.4 C[C@@H]1NC[C@H]1O MCULE-3575939824 [0,0,0,1,0,0|2,0,1]=4 1365 B6R1.4 C[C@@H]1NC[C@H]1O MCULE-4120662394 [0,0,0,1,0,0|2,0,1]=4 1366 B6R1.4 C[C@H]1NC[C@@H]1O MCULE-3510002118 [0,0,0,1,0,0|2,0,1]=4 1367 B6R1.4 C[C@H]1NC[C@@H]1O MCULE-6901722671 [0,0,0,1,0,0|2,0,1]=4 1368 B6R1.4 C[C@H]1NC[C@H]1O MCULE-1733557375 [0,0,0,1,0,0|2,0,1]=4 1369 B6R1.4 C[C@H]1NC[C@H]1O MCULE-3026150373 [0,0,0,1,0,0|2,0,1]=4 1370 B6R1.4 C[C@H]1NC[C@H]1O MCULE-7386387747 [0,0,0,1,0,0|2,0,1]=4 1371 B6R1.4 C[C@H]1NC[C@H]1O MCULE-7405032693 [0,0,0,1,0,0|2,0,1]=4 1372 B6R1.4 NC1CCC1=O MCULE-3868209809 [0,0,0,1,0,0|2,0,0]=3 1373 B6R1.4 NC1CCC1=O MCULE-9741389143 [0,0,0,1,0,0|2,0,0]=3 1374 B6R1.4 NC1CCC1O MCULE-4636397534 [0,0,0,1,0,0|2,0,1]=4 1375 B6R1.4 NC1CCC1O MCULE-7148132261 [0,0,0,1,0,0|2,0,1]=4 1376 B6R1.4 NC1CNC1=O MCULE-2761616663 [0,0,0,1,0,0|2,0,0]=3 1377 B6R1.4 NC1CNC1=O MCULE-3021306383 [0,0,0,1,0,0|2,0,0]=3 1378 B6R1.4 NC1CNC1=O MCULE-3943057121 [0,0,0,1,0,0|2,0,0]=3 1379 B6R1.4 NC1COC1=O MCULE-6998565452 [0,0,0,1,0,0|1,0,0]=2 1380 B6R1.4 NN1CCC1=O MCULE-6200802911 [0,0,0,1,0,0|3,0,0]=4 1381 B6R1.4 NN1CCC1=O MCULE-8249778821 [0,0,0,1,0,0|3,0,0]=4 1382 B6R1.4 N[C@@H]1CC[C@@H]1O MCULE-1054283097 [0,0,0,1,0,0|2,0,1]=4 1383 B6R1.4 N[C@@H]1CC[C@@H]1O MCULE-3905992171 [0,0,0,1,0,0|2,0,1]=4 1384 B6R1.4 N[C@@H]1CC[C@@H]1O MCULE-6111990015 [0,0,0,1,0,0|2,0,1]=4 1385 B6R1.4 N[C@@H]1CC[C@@H]1O MCULE-9101755956 [0,0,0,1,0,0|2,0,1]=4 1386 B6R1.4 N[C@@H]1CC[C@H]1O MCULE-1883601377 [0,0,0,1,0,0|2,0,1]=4 1387 B6R1.4 N[C@@H]1CC[C@H]1O MCULE-6045787726 [0,0,0,1,0,0|2,0,1]=4 1388 B6R1.4 N[C@@H]1CC[C@H]1O MCULE-7120290402 [0,0,0,1,0,0|2,0,1]=4 1389 B6R1.4 N[C@@H]1CC[C@H]1O MCULE-8603369729 [0,0,0,1,0,0|2,0,1]=4 1390 B6R1.4 N[C@@H]1CNC1=O MCULE-3645662662 [0,0,0,1,0,0|2,0,0]=3 1391 B6R1.4 N[C@@H]1CNC1=O MCULE-4399212271 [0,0,0,1,0,0|2,0,0]=3 1392 B6R1.4 N[C@@H]1CNC1=O MCULE-6332076219 [0,0,0,1,0,0|2,0,0]=3 1393 B6R1.4 N[C@@H]1CNC1=O MCULE-6365012530 [0,0,0,1,0,0|2,0,0]=3 1394 B6R1.4 N[C@@H]1COC1=O MCULE-8080548213 [0,0,0,1,0,0|1,0,0]=2 1395 B6R1.4 N[C@@H]1COC1=O MCULE-9370092691 [0,0,0,1,0,0|1,0,0]=2 1396 B6R1.4 N[C@H]1CC[C@@H]1O MCULE-1761694918 [0,0,0,1,0,0|2,0,1]=4 1397 B6R1.4 N[C@H]1CC[C@@H]1O MCULE-2828590958 [0,0,0,1,0,0|2,0,1]=4 1398 B6R1.4 N[C@H]1CC[C@@H]1O MCULE-3261752057 [0,0,0,1,0,0|2,0,1]=4 1399 B6R1.4 N[C@H]1CC[C@@H]1O MCULE-7711512049 [0,0,0,1,0,0|2,0,1]=4 1400 B6R1.4 N[C@H]1CC[C@H]1O MCULE-3204268809 [0,0,0,1,0,0|2,0,1]=4 1401 B6R1.4 N[C@H]1CC[C@H]1O MCULE-4184135738 [0,0,0,1,0,0|2,0,1]=4 1402 B6R1.4 N[C@H]1CNC1=O MCULE-2792436534 [0,0,0,1,0,0|2,0,0]=3 1403 B6R1.4 N[C@H]1CNC1=O MCULE-6881316562 [0,0,0,1,0,0|2,0,0]=3 1404 B6R1.4 N[C@H]1CNC1=O MCULE-8864053661 [0,0,0,1,0,0|2,0,0]=3 1405 B6R1.4 N[C@H]1CNC1=O MCULE-9014449253 [0,0,0,1,0,0|2,0,0]=3 1406 B6R1.4 N[C@H]1COC1=O MCULE-4812631526 [0,0,0,1,0,0|1,0,0]=2 1407 B6R1.4 O=C1CCC1Br MCULE-1088592133 [0,0,0,1,0,0|2,0,0]=3 1408 B6R1.4 O=C1CCC1F MCULE-6197375881 [0,0,0,1,0,0|2,0,0]=3 1409 B6R1.4 O=C1CCC1O MCULE-1248327203 [0,0,0,1,0,0|1,0,0]=2 1410 B6R1.4 O=C1CC[C@@H]1Br MCULE-3455449754 [0,0,0,1,0,0|2,0,0]=3 1411 B6R1.4 OC1CCC1O MCULE-3286787157 [0,0,0,1,0,0|1,0,1]=3 1412 B6R1.4 O[C@@H]1CC[C@H]1O MCULE-5060593050 [0,0,0,1,0,0|1,0,1]=3 1413 B6R1.4 O[C@@H]1CC[C@H]1O MCULE-6357622033 [0,0,0,1,0,0|1,0,1]=3 1414 B6R1.4 O[C@H]1CC[C@H]1O MCULE-7964152901 [0,0,0,1,0,0|1,0,1]=3 1415 B6R1.4 [C@@H]1(COC1=O)N MCULE-7456320845 [0,0,0,1,0,0|1,0,0]=2 1416 B6R1.9 CC1(CC1O)C MCULE-2207251369 [0,0,0,1,0,0|2,0,1]=4 1417 B6R1.9 CC1OC1(C)C MCULE-6556425885 [0,0,0,1,0,0|2,0,1]=4 1418 B6R1.9 OC1CC1(F)F MCULE-7582982777 [0,0,0,1,0,0|2,0,1]=4 1419 B6R1.11 C=C(C)C1CO1 MCULE-3656533343 [0,0,0,1,0,0|2,0,0]=3 1420 B6R1.11 C=C(Cl)C1CO1 MCULE-5190310903 [0,0,0,1,0,0|2,0,0]=3 1421 B6R1.11 CC(=O)C1CC1 MCULE-3846146416 [0,0,0,1,0,0|2,0,0]=3 1422 B6R1.11 CC(=O)C1CO1 MCULE-4329154079 [0,0,0,1,0,0|1,0,0]=2 1423 B6R1.11 CC(C)C1CO1 MCULE-6294069717 [0,0,0,1,0,0|2,0,1]=4 1424 B6R1.11 CC(C)[C@@H]1CO1 MCULE-9181831987 [0,0,0,1,0,0|2,0,1]=4 1425 B6R1.11 CC(C)[C@H]1CO1 MCULE-1978831452 [0,0,0,1,0,0|2,0,1]=4 1426 B6R1.11 CC(O)C1CC1 MCULE-8628810684 [0,0,0,1,0,0|2,0,1]=4 1427 B6R1.11 CC(O)C1CO1 MCULE-2044990126 [0,0,0,1,0,0|1,0,1]=3 1428 B6R1.11 C[C@@H](O)C1CC1 MCULE-8359847821 [0,0,0,1,0,0|2,0,1]=4 1429 B6R1.11 C[C@H](O)C1CC1 MCULE-2458075152 [0,0,0,1,0,0|2,0,1]=4 1430 B6R1.11 N=C(N)C1CC1 MCULE-1244673727 [0,0,0,1,0,0|3,0,0]=4 1431 B6R1.11 N=C(N)C1CC1 MCULE-2494860413 [0,0,0,1,0,0|3,0,0]=4 1432 B6R1.11 NC(=O)C1CC1 MCULE-9911054913 [0,0,0,1,0,0|2,0,0]=3 1433 B6R1.11 NC(=O)C1CO1 MCULE-6911744868 [0,0,0,1,0,0|1,0,0]=2 1434 B6R1.11 NC(=S)C1CC1 MCULE-7304936539 [0,0,0,1,0,0|2,1,0]=4 1435 B6R1.11 O=C(Cl)C1CC1 MCULE-8675746452 [0,0,0,1,0,0|2,0,0]=3 1436 B6R1.11 O=C(O)C1CC1 MCULE-4677373694 [0,0,0,1,0,0|1,0,0]=2 1437 B6R1.11 O=C(O)C1CN1 MCULE-3236125597 [0,0,0,1,0,0|1,0,0]=2 1438 B6R1.11 O=C(O)C1CO1 MCULE-2152916793 [0,0,0,1,0,0|0,0,0]=1 1439 B6R1.11 O=C(O)[C@@H]1CN1 MCULE-4363753412 [0,0,0,1,0,0|1,0,0]=2 1440 B6R1.11 O=C(O)[C@H]1CN1 MCULE-4830347195 [0,0,0,1,0,0|1,0,0]=2 1441 B6R1.11 O=C(O)[C@H]1CO1 MCULE-5204459723 [0,0,0,1,0,0|0,0,0]=1 1442 B6R1.11 O=C(O)[C@H]1CO1 MCULE-6983707093 [0,0,0,1,0,0|0,0,0]=1 1443 B6R1.11 O=C([O-])C1CN1 MCULE-6490437892 [0,0,0,1,0,0|1,0,1]=3 1444 B6R1.11 O=C([O-])C1CO1 MCULE-4586459966 [0,0,0,1,0,0|0,0,1]=2 1445 B6R1.11 O=C([O-])[C@@H]1CO1 MCULE-1647975669 [0,0,0,1,0,0|0,0,1]=2 1446 B6R1.11 O=C([O-])[C@@H]1CO1 MCULE-1906997950 [0,0,0,1,0,0|0,0,1]=2 1447 B6R1.11 O=C([O-])[C@@H]1CO1 MCULE-4899800766 [0,0,0,1,0,0|0,0,1]=2 1448 B6R1.11 O=C([O-])[C@@H]1CO1 MCULE-9148170094 [0,0,0,1,0,0|0,0,1]=2 1449 B6R1.11 O=C([O-])[C@H]1CO1 MCULE-6663734494 [0,0,0,1,0,0|0,0,1]=2 1450 B6R1.11 O=C([O-])[C@H]1CO1 MCULE-8580451361 [0,0,0,1,0,0|0,0,1]=2 1451 B6R1.11 O=S(O)C1CC1 MCULE-1616243918 [0,0,0,1,0,0|2,0,0]=3 1452 B6R1.11 O=S([O-])C1CC1 MCULE-9446364072 [0,0,0,1,0,0|2,0,1]=4 1453 B6R1.11 OB(O)C1CC1 MCULE-5364427631 [0,0,0,1,0,0|2,0,1]=4 1454 B6R0.2 C=C(C)CC(=O)C MCULE-3534735279 [0,0,0,0,0,1|2,0,1]=4 1455 B6R0.2 C=C(C)CC(=O)O MCULE-5404023928 [0,0,0,0,0,1|1,0,1]=3 1456 B6R0.2 C=C(C)CC(C)C MCULE-5553118538 [0,0,0,0,0,1|3,0,0]=4 1457 B6R0.2 C=C(C)C[C@@H](C)O MCULE-8518319636 [0,0,0,0,0,1|2,0,0]=3 1458 B6R0.2 C=C(C)C[C@H](C)O MCULE-7139115019 [0,0,0,0,0,1|2,0,0]=3 1459 B6R0.2 C=C(C)OC(=O)C MCULE-9345377025 [0,0,0,0,0,1|2,0,1]=4 1460 B6R0.2 C=C(I)CC(=O)O MCULE-3849925169 [0,0,0,0,0,1|1,0,2]=4 1461 B6R0.2 CC(=CC(=O)Cl)C MCULE-7644585609 [0,0,0,0,0,1|2,0,1]=4 1462 B6R0.2 CC(=CC(=O)N)C MCULE-6264319579 [0,0,0,0,0,1|2,0,1]=4 1463 B6R0.2 CC(=CC(=O)O)C MCULE-4772426340 [0,0,0,0,0,1|1,0,1]=3 1464 B6R0.2 CC(=CC(=O)O)Cl MCULE-7503760292 [0,0,0,0,0,1|1,0,1]=3 1465 B6R0.2 CC(=CC(=O)O)I MCULE-2652373771 [0,0,0,0,0,1|1,0,1]=3 1466 B6R0.2 CC(=CC(=O)O)N MCULE-5894724848 [0,0,0,0,0,1|1,0,1]=3 1467 B6R0.2 CC(=CC(C)C)C MCULE-5460531772 [0,0,0,0,0,1|3,0,0]=4 1468 B6R0.2 CC(=CC(C)O)C MCULE-5270694894 [0,0,0,0,0,1|2,0,0]=3 1469 B6R0.2 CC(=N)CC(=O)C MCULE-4678643052 [0,0,0,0,0,1|2,0,1]=4 1470 B6R0.2 CC(=NC(C)C)C MCULE-4174313497 [0,0,0,0,0,1|3,0,0]=4 1471 B6R0.2 CC(=O)/C=C(/C)\N MCULE-1235186190 [0,0,0,0,0,1|2,0,1]=4 1472 B6R0.2 CC(=O)/C=C(/C)\[O-] MCULE-3445340105 [0,0,0,0,0,1|1,0,2]=4 1473 B6R0.2 CC(=O)/C=C(/C)\[O-] MCULE-7833799417 [0,0,0,0,0,1|1,0,2]=4 1474 B6R0.2 CC(=O)/C=C(\C)/N MCULE-6412393370 [0,0,0,0,0,1|2,0,1]=4 1475 B6R0.2 CC(=O)C=C(C)C MCULE-4922478422 [0,0,0,0,0,1|2,0,1]=4 1476 B6R0.2 CC(=O)C=C(C)N MCULE-2247743178 [0,0,0,0,0,1|2,0,1]=4 1477 B6R0.2 CC(=O)C=C(C)O MCULE-7345258397 [0,0,0,0,0,1|1,0,1]=3 1478 B6R0.2 CC(=O)C=C(C)[O-] MCULE-7733093724 [0,0,0,0,0,1|1,0,2]=4 1479 B6R0.2 CC(=O)CC(=O)C MCULE-6481204381 [0,0,0,0,0,1|1,0,2]=4 1480 B6R0.2 CC(=O)CC(=O)N MCULE-1618058771 [0,0,0,0,0,1|1,0,2]=4 1481 B6R0.2 CC(=O)CC(=O)O MCULE-2601276539 [0,0,0,0,0,1|0,0,2]=3 1482 B6R0.2 CC(=O)CC(=O)[O-] MCULE-6317885864 [0,0,0,0,0,1|0,0,3]=4 1483 B6R0.2 CC(=O)CC(=O)[O-] MCULE-8448177875 [0,0,0,0,0,1|0,0,3]=4 1484 B6R0.2 CC(=O)CC(C)C MCULE-2172909634 [0,0,0,0,0,1|2,0,0]=3 1485 B6R0.2 CC(=O)CC(C)N MCULE-1028280795 [0,0,0,0,0,1|2,0,0]=3 1486 B6R0.2 CC(=O)CC(C)N MCULE-7911343070 [0,0,0,0,0,1|2,0,0]=3 1487 B6R0.2 CC(=O)CC(C)O MCULE-5175367575 [0,0,0,0,0,1|1,0,0]=2 1488 B6R0.2 CC(=O)CN(C)C MCULE-8561521241 [0,0,0,0,0,1|3,0,0]=4 1489 B6R0.2 CC(=O)C[C@@H](C)N MCULE-1260669737 [0,0,0,0,0,1|2,0,0]=3 1490 B6R0.2 CC(=O)C[C@@H](C)N MCULE-6556661125 [0,0,0,0,0,1|2,0,0]=3 1491 B6R0.2 CC(=O)NC(=O)C MCULE-3040534108 [0,0,0,0,0,1|1,0,2]=4 1492 B6R0.2 CC(=O)NC(=O)N MCULE-8999775359 [0,0,0,0,0,1|1,0,2]=4 1493 B6R0.2 CC(=O)NC(C)C MCULE-2095134698 [0,0,0,0,0,1|2,0,0]=3 1494 B6R0.2 CC(=O)NN(C)C MCULE-3444969121 [0,0,0,0,0,1|3,0,0]=4 1495 B6R0.2 CC(=O)NN(C)C MCULE-5383938091 [0,0,0,0,0,1|3,0,0]=4 1496 B6R0.2 CC(=O)OC(=O)C MCULE-9184217748 [0,0,0,0,0,1|1,0,2]=4 1497 B6R0.2 CC(=O)OC(C)Br MCULE-6494616843 [0,0,0,0,0,1|2,0,0]=3 1498 B6R0.2 CC(=O)OC(C)C MCULE-6152257819 [0,0,0,0,0,1|2,0,0]=3 1499 B6R0.2 CC(=O)OC(C)Cl MCULE-3738479003 [0,0,0,0,0,1|2,0,0]=3 1500 B6R0.2 CC(=O)SC(=O)C MCULE-5749449964 [0,0,0,0,0,1|1,0,2]=4 1501 B6R0.2 CC(=O)[CH-]C(=O)C MCULE-4855074933 [0,0,0,0,0,1|1,0,2]=4 1502 B6R0.2 CC(=O)[CH-]C(=O)C MCULE-6905854247 [0,0,0,0,0,1|1,0,2]=4 1503 B6R0.2 CC(Br)CC(=O)O MCULE-3353526571 [0,0,0,0,0,1|1,0,0]=2 1504 B6R0.2 CC(Br)CC(=S)N MCULE-3013222937 [0,0,0,0,0,1|2,1,0]=4 1505 B6R0.2 CC(C)CB(O)O MCULE-9748327681 [0,0,0,0,0,1|2,0,1]=4 1506 B6R0.2 CC(C)CC(=N)N MCULE-1578322850 [0,0,0,0,0,1|3,0,0]=4 1507 B6R0.2 CC(C)CC(=N)N MCULE-1643115412 [0,0,0,0,0,1|3,0,0]=4 1508 B6R0.2 CC(C)CC(=N)N MCULE-9650824038 [0,0,0,0,0,1|3,0,0]=4 1509 B6R0.2 CC(C)CC(=O)Cl MCULE-8821231794 [0,0,0,0,0,1|2,0,0]=3 1510 B6R0.2 CC(C)CC(=O)N MCULE-7790849976 [0,0,0,0,0,1|2,0,0]=3 1511 B6R0.2 CC(C)CC(=O)O MCULE-5805071360 [0,0,0,0,0,1|1,0,0]=2 1512 B6R0.2 CC(C)CC(=S)N MCULE-7704222819 [0,0,0,0,0,1|2,1,0]=4 1513 B6R0.2 CC(C)CC(C)O MCULE-9223768698 [0,0,0,0,0,1|2,0,1]=4 1514 B6R0.2 CC(C)CN(=O)=O MCULE-1357840093 [0,0,0,0,0,1|2,0,1]=4 1515 B6R0.2 CC(C)CS(=O)[O-] MCULE-3716652382 [0,0,0,0,0,1|2,0,1]=4 1516 B6R0.2 CC(C)CS(=O)[O-] MCULE-7111094918 [0,0,0,0,0,1|2,0,1]=4 1517 B6R0.2 CC(C)C[C@@H](C)O MCULE-3150675602 [0,0,0,0,0,1|2,0,1]=4 1518 B6R0.2 CC(C)C[C@@H](C)O MCULE-4011042896 [0,0,0,0,0,1|2,0,1]=4 1519 B6R0.2 CC(C)NC(=N)N MCULE-4913172476 [0,0,0,0,0,1|3,0,0]=4 1520 B6R0.2 CC(C)NC(=N)N MCULE-4959976198 [0,0,0,0,0,1|3,0,0]=4 1521 B6R0.2 CC(C)NC(=N)N MCULE-5602505573 [0,0,0,0,0,1|3,0,0]=4 1522 B6R0.2 CC(C)NC(=N)N MCULE-8448870710 [0,0,0,0,0,1|3,0,0]=4 1523 B6R0.2 CC(C)NC(=O)N MCULE-2725741897 [0,0,0,0,0,1|2,0,0]=3 1524 B6R0.2 CC(C)NC(=S)N MCULE-9243939729 [0,0,0,0,0,1|2,1,0]=4 1525 B6R0.2 CC(C)OC(=N)N MCULE-3607061697 [0,0,0,0,0,1|3,0,0]=4 1526 B6R0.2 CC(C)OC(=N)N MCULE-6662387960 [0,0,0,0,0,1|3,0,0]=4 1527 B6R0.2 CC(C)OC(=O)Cl MCULE-3303340398 [0,0,0,0,0,1|2,0,0]=3 1528 B6R0.2 CC(C)OC(=O)N MCULE-9996500963 [0,0,0,0,0,1|2,0,0]=3 1529 B6R0.2 CC(C)OC(=S)[S-] MCULE-2902588510 [0,0,0,0,0,1|1,2,0]=4 1530 B6R0.2 CC(C)OC(=S)[S-] MCULE-9078070002 [0,0,0,0,0,1|1,2,0]=4 1531 B6R0.2 CC(C)OC(=S)[S-] MCULE-9949285618 [0,0,0,0,0,1|1,2,0]=4 1532 B6R0.2 CC(C)ON(=O)=O MCULE-8820340461 [0,0,0,0,0,1|2,0,1]=4 1533 B6R0.2 CC(C)SC(=N)N MCULE-1974434339 [0,0,0,0,0,1|3,0,0]=4 1534 B6R0.2 CC(C)SC(=N)N MCULE-3570639733 [0,0,0,0,0,1|3,0,0]=4 1535 B6R0.2 CC(C)SC(=O)Cl MCULE-9803882280 [0,0,0,0,0,1|2,0,0]=3 1536 B6R0.2 CC(Cl)CC(=O)Cl MCULE-3323045052 [0,0,0,0,0,1|2,0,0]=3 1537 B6R0.2 CC(Cl)CC(=O)O MCULE-1436146199 [0,0,0,0,0,1|1,0,0]=2 1538 B6R0.2 CC(Cl)OC(=O)Cl MCULE-8020850544 [0,0,0,0,0,1|2,0,0]=3 1539 B6R0.2 CC(F)CC(=O)O MCULE-9214258715 [0,0,0,0,0,1|1,0,0]=2 1540 B6R0.2 CC(N)CC(=O)N MCULE-8604112274 [0,0,0,0,0,1|2,0,0]=3 1541 B6R0.2 CC(N)CC(=O)N MCULE-8651032460 [0,0,0,0,0,1|2,0,0]=3 1542 B6R0.2 CC(N)CC(=O)O MCULE-2960589915 [0,0,0,0,0,1|1,0,0]=2 1543 B6R0.2 CC(N)CC(=O)O MCULE-5772407106 [0,0,0,0,0,1|1,0,0]=2 1544 B6R0.2 CC(N)CC(=O)O MCULE-7818257350 [0,0,0,0,0,1|1,0,0]=2 1545 B6R0.2 CC(N)CC(=O)O MCULE-7847644131 [0,0,0,0,0,1|1,0,0]=2 1546 B6R0.2 CC(N)CC(C)O MCULE-7772080010 [0,0,0,0,0,1|2,0,1]=4 1547 B6R0.2 CC(N)CS(=O)C MCULE-1278482312 [0,0,0,0,0,1|3,0,0]=4 1548 B6R0.2 CC(O)CC(=O)N MCULE-7442557911 [0,0,0,0,0,1|1,0,0]=2 1549 B6R0.2 CC(O)CC(=O)O MCULE-3566732882 [0,0,0,0,0,1|0,0,0]=1 1550 B6R0.2 CC(O)CC(=O)O MCULE-6537877725 [0,0,0,0,0,1|0,0,0]=1 1551 B6R0.2 CC(O)CC(=O)[O-] MCULE-1109368801 [0,0,0,0,0,1|0,0,1]=2 1552 B6R0.2 CC(O)CC(=O)[O-] MCULE-5681138302 [0,0,0,0,0,1|0,0,1]=2 1553 B6R0.2 CC(O)CC(C)O MCULE-1652556328 [0,0,0,0,0,1|1,0,1]=3 1554 B6R0.2 CC(O)CN(=O)=O MCULE-1592317283 [0,0,0,0,0,1|1,0,1]=3 1555 B6R0.2 CC(O)CN(C)C MCULE-6531222530 [0,0,0,0,0,1|3,0,0]=4 1556 B6R0.2 CC(O)CN(C)C MCULE-7127620454 [0,0,0,0,0,1|3,0,0]=4 1557 B6R0.2 CC(O)CN(C)N MCULE-6197492770 [0,0,0,0,0,1|3,0,0]=4 1558 B6R0.2 CC(O)CS(=O)C MCULE-2365161952 [0,0,0,0,0,1|2,0,0]=3 1559 B6R0.2 CN(C)CC(=O)Cl MCULE-2168217529 [0,0,0,0,0,1|3,0,0]=4 1560 B6R0.2 CN(C)CC(=O)Cl MCULE-6810056185 [0,0,0,0,0,1|3,0,0]=4 1561 B6R0.2 CN(C)CC(=O)N MCULE-3894706713 [0,0,0,0,0,1|3,0,0]=4 1562 B6R0.2 CN(C)CC(=O)O MCULE-2303978039 [0,0,0,0,0,1|2,0,0]=3 1563 B6R0.2 CN(C)CC(=O)O MCULE-3368936600 [0,0,0,0,0,1|2,0,0]=3 1564 B6R0.2 CN(C)CC(=O)[O-] MCULE-3077067854 [0,0,0,0,0,1|2,0,1]=4 1565 B6R0.2 CN(C)NC(=O)N MCULE-4462686977 [0,0,0,0,0,1|3,0,0]=4 1566 B6R0.2 C[C@@H](N)CC(=O)O MCULE-2652696372 [0,0,0,0,0,1|1,0,0]=2 1567 B6R0.2 C[C@@H](N)CC(=O)O MCULE-7054489636 [0,0,0,0,0,1|1,0,0]=2 1568 B6R0.2 C[C@@H](N)CC(=O)O MCULE-7621851215 [0,0,0,0,0,1|1,0,0]=2 1569 B6R0.2 C[C@@H](N)CC(=O)O MCULE-8671397640 [0,0,0,0,0,1|1,0,0]=2 1570 B6R0.2 C[C@@H](O)CC(=O)O MCULE-2545577683 [0,0,0,0,0,1|0,0,0]=1 1571 B6R0.2 C[C@@H](O)CC(=O)O MCULE-4159227891 [0,0,0,0,0,1|0,0,0]=1 1572 B6R0.2 C[C@@H](O)CC(=O)[O-] MCULE-7081161048 [0,0,0,0,0,1|0,0,1]=2 1573 B6R0.2 C[C@@H](O)CC(=O)[O-] MCULE-7886150665 [0,0,0,0,0,1|0,0,1]=2 1574 B6R0.2 C[C@@H](O)CN(C)C MCULE-3114172439 [0,0,0,0,0,1|3,0,0]=4 1575 B6R0.2 C[C@@H](O)CN(C)C MCULE-9927679143 [0,0,0,0,0,1|3,0,0]=4 1576 B6R0.2 C[C@@H](O)C[C@@H](C)O MCULE-3504626196 [0,0,0,0,0,1|1,0,1]=3 1577 B6R0.2 C[C@@H](O)C[C@@H](C)O MCULE-4671148975 [0,0,0,0,0,1|1,0,1]=3 1578 B6R0.2 C[C@@H](O)C[C@@H](C)O MCULE-8345849773 [0,0,0,0,0,1|1,0,1]=3 1579 B6R0.2 C[C@H](Br)CC(=O)O MCULE-1601745040 [0,0,0,0,0,1|1,0,0]=2 1580 B6R0.2 C[C@H](Br)CC(=O)O MCULE-2894930407 [0,0,0,0,0,1|1,0,0]=2 1581 B6R0.2 C[C@H](N)CC(=O)O MCULE-2656839691 [0,0,0,0,0,1|1,0,0]=2 1582 B6R0.2 C[C@H](N)CC(=O)O MCULE-4695512293 [0,0,0,0,0,1|1,0,0]=2 1583 B6R0.2 C[C@H](N)CC(=O)O MCULE-5288044169 [0,0,0,0,0,1|1,0,0]=2 1584 B6R0.2 C[C@H](N)CC(=O)O MCULE-6641912058 [0,0,0,0,0,1|1,0,0]=2 1585 B6R0.2 C[C@H](O)CC(=O)O MCULE-2857686566 [0,0,0,0,0,1|0,0,0]=1 1586 B6R0.2 C[C@H](O)CC(=O)O MCULE-3362266278 [0,0,0,0,0,1|0,0,0]=1 1587 B6R0.2 C[C@H](O)CC(=O)[O-] MCULE-3624690550 [0,0,0,0,0,1|0,0,1]=2 1588 B6R0.2 C[C@H](O)CC(=O)[O-] MCULE-5550257128 [0,0,0,0,0,1|0,0,1]=2 1589 B6R0.2 C[C@H](O)CN(C)C MCULE-4542650002 [0,0,0,0,0,1|3,0,0]=4 1590 B6R0.2 C[C@H](O)CN(C)C MCULE-4717676519 [0,0,0,0,0,1|3,0,0]=4 1591 B6R0.2 C[C@H](O)C[C@H](C)O MCULE-1267135444 [0,0,0,0,0,1|1,0,1]=3 1592 B6R0.2 C[C@H](O)C[C@H](C)O MCULE-5878966333 [0,0,0,0,0,1|1,0,1]=3 1593 B6R0.2 C[S+](C)CC(=O)[O-] MCULE-1975585935 [0,0,0,0,0,1|2,0,1]=4 1594 B6R0.2 C[S+](C)CC(=O)[O-] MCULE-7679949306 [0,0,0,0,0,1|2,0,1]=4 1595 B6R0.2 NC(=O)CC(=O)O MCULE-1168254626 [0,0,0,0,0,1|1,0,2]=4 1596 B6R0.2 NC(F)CC(=O)O MCULE-1563194776 [0,0,0,0,0,1|2,0,0]=3 1597 B6R0.2 NC(F)CC(=O)O MCULE-1655564430 [0,0,0,0,0,1|2,0,0]=3 1598 B6R0.2 O=C(O)C=C(Br)Br MCULE-4379078717 [0,0,0,0,0,1|2,0,1]=4 1599 B6R0.2 O=C(O)C=C(Cl)Cl MCULE-5096440659 [0,0,0,0,0,1|2,0,1]=4 1600 B6R0.2 O=C(O)CB(O)O MCULE-6408403753 [0,0,0,0,0,1|2,0,0]=3 1601 B6R0.2 O=C(O)CC(=O)O MCULE-5893043131 [0,0,0,0,0,1|1,0,1]=3 1602 B6R0.2 O=C(O)CC(F)F MCULE-9388620099 [0,0,0,0,0,1|2,0,0]=3 1603 B6R0.2 O=C(O)CN(=O)=O MCULE-4962751453 [0,0,0,0,0,1|2,0,1]=4 1604 B6R0.2 P(=O)([O-])OC(C)C MCULE-5865480150 [0,0,0,0,0,1|2,0,1]=4 1605 B6R0.2 P(=O)([O-])OC(C)C MCULE-7393903455 [0,0,0,0,0,1|2,0,1]=4 1606 B3R0.1 C#CC=O MCULE-4187736819 [2,0,0,0,0,0|0,0,2]=4 1607 B3R0.1 C#CCC MCULE-8090253856 [2,0,0,0,0,0|1,0,1]=4 1608 B3R0.1 C#CCO MCULE-3909200923 [2,0,0,0,0,0|1,0,1]=4 1609 B3R0.1 C/B=N/O MCULE-5227399299 [2,0,0,0,0,0|2,0,0]=4 1610 B3R0.1 C/C=C/Br MCULE-4076369660 [2,0,0,0,0,0|1,0,1]=4 1611 B3R0.1 C/C=N/O MCULE-2376410404 [2,0,0,0,0,0|1,0,1]=4 1612 B3R0.1 C=CC=O MCULE-2104890669 [2,0,0,0,0,0|0,0,2]=4 1613 B3R0.1 C=CCBr MCULE-9486454833 [2,0,0,0,0,0|2,0,0]=4 1614 B3R0.1 C=CCC MCULE-8167907130 [2,0,0,0,0,0|1,0,0]=3 1615 B3R0.1 C=CCCl MCULE-4067772785 [2,0,0,0,0,0|2,0,0]=4 1616 B3R0.1 C=CCF MCULE-7783191980 [2,0,0,0,0,0|2,0,0]=4 1617 B3R0.1 C=CCI MCULE-5037698873 [2,0,0,0,0,0|2,0,0]=4 1618 B3R0.1 C=CCN MCULE-2424616806 [2,0,0,0,0,0|2,0,0]=4 1619 B3R0.1 C=CCN MCULE-2473480946 [2,0,0,0,0,0|2,0,0]=4 1620 B3R0.1 C=CCO MCULE-2145308838 [2,0,0,0,0,0|1,0,0]=3 1621 B3R0.1 C=CCS MCULE-7270484838 [2,0,0,0,0,0|1,1,0]=4 1622 B3R0.1 C=COC MCULE-4880746684 [2,0,0,0,0,0|2,0,0]=4 1623 B3R0.1 CC=CBr MCULE-2098755460 [2,0,0,0,0,0|1,0,1]=4 1624 B3R0.1 CC=CCl MCULE-9225887510 [2,0,0,0,0,0|1,0,1]=4 1625 B3R0.1 CC=NO MCULE-9761317381 [2,0,0,0,0,0|1,0,1]=4 1626 B3R0.1 CCC#N MCULE-9484970536 [2,0,0,0,0,0|1,0,1]=4 1627 B3R0.1 CCC=O MCULE-4079744837 [2,0,0,0,0,0|0,0,0]=2 1628 B3R0.1 CCCBr MCULE-2393970713 [2,0,0,0,0,0|1,0,1]=4 1629 B3R0.1 CCCC MCULE-9760497805 [2,0,0,0,0,0|1,0,1]=4 1630 B3R0.1 CCCCl MCULE-3496412829 [2,0,0,0,0,0|1,0,1]=4 1631 B3R0.1 CCCF MCULE-8540338768 [2,0,0,0,0,0|1,0,1]=4 1632 B3R0.1 CCCI MCULE-1721488805 [2,0,0,0,0,0|1,0,1]=4 1633 B3R0.1 CCCN MCULE-2885523792 [2,0,0,0,0,0|1,0,1]=4 1634 B3R0.1 CCCN MCULE-4318907091 [2,0,0,0,0,0|1,0,1]=4 1635 B3R0.1 CCCN MCULE-6330457870 [2,0,0,0,0,0|1,0,1]=4 1636 B3R0.1 CCCN MCULE-7146820007 [2,0,0,0,0,0|1,0,1]=4 1637 B3R0.1 CCCO MCULE-6252105126 [2,0,0,0,0,0|0,0,1]=3 1638 B3R0.1 CCCS MCULE-8267649092 [2,0,0,0,0,0|0,1,1]=4 1639 B3R0.1 CCNC MCULE-7215376398 [2,0,0,0,0,0|2,0,0]=4 1640 B3R0.1 CCNC MCULE-9811899205 [2,0,0,0,0,0|2,0,0]=4 1641 B3R0.1 CCNN MCULE-4753127904 [2,0,0,0,0,0|2,0,0]=4 1642 B3R0.1 CCNN MCULE-7630363192 [2,0,0,0,0,0|2,0,0]=4 1643 B3R0.1 CCNN MCULE-8402230944 [2,0,0,0,0,0|2,0,0]=4 1644 B3R0.1 CCNO MCULE-1215586669 [2,0,0,0,0,0|1,0,0]=3 1645 B3R0.1 CCNO MCULE-7075818857 [2,0,0,0,0,0|1,0,0]=3 1646 B3R0.1 CCON MCULE-5316082054 [2,0,0,0,0,0|2,0,0]=4 1647 B3R0.1 CCON MCULE-6621418839 [2,0,0,0,0,0|2,0,0]=4 1648 B3R0.1 CCO[NH3+] MCULE-7670481464 [2,0,0,0,0,0|2,0,0]=4 1649 B3R0.1 CCO[NH3+] MCULE-7871083232 [2,0,0,0,0,0|2,0,0]=4 1650 B3R0.1 CCSC MCULE-6944750263 [2,0,0,0,0,0|2,0,0]=4 1651 B3R0.1 CN=C=O MCULE-7764606582 [2,0,0,0,0,0|1,0,1]=4 1652 B3R0.1 CNC=O MCULE-4739122677 [2,0,0,0,0,0|1,0,0]=3 1653 B3R0.1 CNC=S MCULE-1018523469 [2,0,0,0,0,0|1,1,0]=4 1654 B3R0.1 COC=O MCULE-9122749354 [2,0,0,0,0,0|1,0,0]=3 1655 B3R0.1 N/C=N/O MCULE-9567664507 [2,0,0,0,0,0|2,0,0]=4 1656 B3R0.1 NCCO MCULE-5175116598 [2,0,0,0,0,0|1,0,1]=4 1657 B3R0.1 NCCO MCULE-8624730373 [2,0,0,0,0,0|1,0,1]=4 1658 B3R0.1 NNC=O MCULE-6986968107 [2,0,0,0,0,0|2,0,0]=4 1659 B3R0.1 NOC=O MCULE-4489199776 [2,0,0,0,0,0|2,0,0]=4 1660 B3R0.1 O=CC=O MCULE-3212938778 [2,0,0,0,0,0|0,0,2]=4 1661 B3R0.1 O=CCBr MCULE-9076011270 [2,0,0,0,0,0|1,0,0]=3 1662 B3R0.1 O=CCCl MCULE-7307216184 [2,0,0,0,0,0|1,0,0]=3 1663 B3R0.1 O=CCI MCULE-1146810366 [2,0,0,0,0,0|1,0,0]=3 1664 B3R0.1 OCCBr MCULE-5097256006 [2,0,0,0,0,0|1,0,1]=4 1665 B3R0.1 OCCCl MCULE-5139580173 [2,0,0,0,0,0|1,0,1]=4 1666 B3R0.1 OCCF MCULE-7590677201 [2,0,0,0,0,0|1,0,1]=4 1667 B3R0.1 OCCI MCULE-8359750387 [2,0,0,0,0,0|1,0,1]=4 1668 B3R0.1 OCCO MCULE-6366313128 [2,0,0,0,0,0|0,0,1]=3 1669 B3R0.1 OCCS MCULE-2252943288 [2,0,0,0,0,0|0,1,1]=4 1670 B3R0.2 C=C(C)Br MCULE-7805530064 [2,0,0,0,0,0|1,0,1]=4 1671 B3R0.2 C=C(C)C MCULE-5640095130 [2,0,0,0,0,0|1,0,1]=4 1672 B3R0.2 C=C(C)Cl MCULE-1752401095 [2,0,0,0,0,0|1,0,1]=4 1673 B3R0.2 C=C(C)F MCULE-3213198231 [2,0,0,0,0,0|1,0,1]=4 1674 B3R0.2 C=[N+](C)C MCULE-4450980212 [2,0,0,0,0,0|2,0,0]=4 1675 B3R0.2 C=[N+](C)C MCULE-5309464837 [2,0,0,0,0,0|2,0,0]=4 1676 B3R0.2 C=[N+](C)C MCULE-9321779445 [2,0,0,0,0,0|2,0,0]=4 1677 B3R0.2 CB(O)O MCULE-3510763826 [2,0,0,0,0,0|1,0,0]=3 1678 B3R0.2 CC(=N)N MCULE-3235425606 [2,0,0,0,0,0|2,0,0]=4 1679 B3R0.2 CC(=N)N MCULE-3546679379 [2,0,0,0,0,0|2,0,0]=4 1680 B3R0.2 CC(=N)N MCULE-3597638887 [2,0,0,0,0,0|2,0,0]=4 1681 B3R0.2 CC(=N)N MCULE-9831274654 [2,0,0,0,0,0|2,0,0]=4 1682 B3R0.2 CC(=O)Br MCULE-4892265063 [2,0,0,0,0,0|1,0,0]=3 1683 B3R0.2 CC(=O)C MCULE-6679625040 [2,0,0,0,0,0|1,0,0]=3 1684 B3R0.2 CC(=O)Cl MCULE-9041746362 [2,0,0,0,0,0|1,0,0]=3 1685 B3R0.2 CC(=O)I MCULE-4812718701 [2,0,0,0,0,0|1,0,0]=3 1686 B3R0.2 CC(=O)N MCULE-9280264861 [2,0,0,0,0,0|1,0,0]=3 1687 B3R0.2 CC(=O)O MCULE-1502330578 [2,0,0,0,0,0|0,0,0]=2 1688 B3R0.2 CC(=O)O MCULE-5514028500 [2,0,0,0,0,0|0,0,0]=2 1689 B3R0.2 CC(=O)O MCULE-5942589566 [2,0,0,0,0,0|0,0,0]=2 1690 B3R0.2 CC(=O)O MCULE-6780070129 [2,0,0,0,0,0|0,0,0]=2 1691 B3R0.2 CC(=O)O MCULE-8295936189 [2,0,0,0,0,0|0,0,0]=2 1692 B3R0.2 CC(=O)O MCULE-9103972283 [2,0,0,0,0,0|0,0,0]=2 1693 B3R0.2 CC(=O)O MCULE-9900518424 [2,0,0,0,0,0|0,0,0]=2 1694 B3R0.2 CC(=O)S MCULE-5769447035 [2,0,0,0,0,0|0,1,0]=3 1695 B3R0.2 CC(=O)[O-] MCULE-2314460022 [2,0,0,0,0,0|0,0,1]=3 1696 B3R0.2 CC(=O)[O-] MCULE-2960771771 [2,0,0,0,0,0|0,0,1]=3 1697 B3R0.2 CC(=O)[O-] MCULE-5334052410 [2,0,0,0,0,0|0,0,1]=3 1698 B3R0.2 CC(=O)[O-] MCULE-5482908386 [2,0,0,0,0,0|0,0,1]=3 1699 B3R0.2 CC(=O)[O-] MCULE-9723570182 [2,0,0,0,0,0|0,0,1]=3 1700 B3R0.2 CC(=O)[O-] MCULE-9910426896 [2,0,0,0,0,0|0,0,1]=3 1701 B3R0.2 CC(=S)N MCULE-4635097605 [2,0,0,0,0,0|1,1,0]=4 1702 B3R0.2 CC(=S)[O-] MCULE-1878530758 [2,0,0,0,0,0|0,1,1]=4 1703 B3R0.2 CC(Br)Br MCULE-3156450089 [2,0,0,0,0,0|2,0,0]=4 1704 B3R0.2 CC(C)Br MCULE-4068304617 [2,0,0,0,0,0|1,0,1]=4 1705 B3R0.2 CC(C)C MCULE-6616676274 [2,0,0,0,0,0|1,0,1]=4 1706 B3R0.2 CC(C)Cl MCULE-3190141598 [2,0,0,0,0,0|1,0,1]=4 1707 B3R0.2 CC(C)F MCULE-5333357055 [2,0,0,0,0,0|1,0,1]=4 1708 B3R0.2 CC(C)I MCULE-6151711033 [2,0,0,0,0,0|1,0,1]=4 1709 B3R0.2 CC(C)N MCULE-1048799006 [2,0,0,0,0,0|1,0,1]=4 1710 B3R0.2 CC(C)N MCULE-1125416142 [2,0,0,0,0,0|1,0,1]=4 1711 B3R0.2 CC(C)N MCULE-2418429353 [2,0,0,0,0,0|1,0,1]=4 1712 B3R0.2 CC(C)N MCULE-7280647435 [2,0,0,0,0,0|1,0,1]=4 1713 B3R0.2 CC(C)O MCULE-6646752234 [2,0,0,0,0,0|0,0,1]=3 1714 B3R0.2 CC(C)S MCULE-8283942088 [2,0,0,0,0,0|0,1,1]=4 1715 B3R0.2 CC(Cl)Br MCULE-6166388747 [2,0,0,0,0,0|2,0,0]=4 1716 B3R0.2 CC(Cl)Cl MCULE-2444543893 [2,0,0,0,0,0|2,0,0]=4 1717 B3R0.2 CC(F)Cl MCULE-1350283946 [2,0,0,0,0,0|2,0,0]=4 1718 B3R0.2 CC(F)F MCULE-1642052461 [2,0,0,0,0,0|2,0,0]=4 1719 B3R0.2 CN(=O)=O MCULE-8704524604 [2,0,0,0,0,0|1,0,1]=4 1720 B3R0.2 CN(C)O MCULE-6572915706 [2,0,0,0,0,0|1,0,1]=4 1721 B3R0.2 CN(C)O MCULE-6950647562 [2,0,0,0,0,0|1,0,1]=4 1722 B3R0.2 CP(=O)C MCULE-6150886622 [2,0,0,0,0,0|2,0,0]=4 1723 B3R0.2 CS(=O)C MCULE-2005841258 [2,0,0,0,0,0|2,0,0]=4 1724 B3R0.2 CS(=O)Cl MCULE-1292201352 [2,0,0,0,0,0|2,0,0]=4 1725 B3R0.2 CS(=O)N MCULE-5162949591 [2,0,0,0,0,0|2,0,0]=4 1726 B3R0.2 CS(=O)O MCULE-8711306710 [2,0,0,0,0,0|1,0,0]=3 1727 B3R0.2 CS(=O)[O-] MCULE-1437194827 [2,0,0,0,0,0|1,0,1]=4 1728 B3R0.2 C[Se](=O)C MCULE-4596040471 [2,0,0,0,0,0|2,0,0]=4 1729 B3R0.2 C[Se](=O)O MCULE-5568767851 [2,0,0,0,0,0|1,0,0]=3 1730 B3R0.2 NC(=O)N MCULE-3224868954 [2,0,0,0,0,0|2,0,0]=4 1731 B3R0.2 NC(=O)N MCULE-8513891094 [2,0,0,0,0,0|2,0,0]=4 1732 B3R0.2 NC(=O)O MCULE-1579038047 [2,0,0,0,0,0|1,0,0]=3 1733 B3R0.2 NC(=O)O MCULE-3232812015 [2,0,0,0,0,0|1,0,0]=3 1734 B3R0.2 O=C(Cl)[Au] MCULE-6601882022 [2,0,0,0,0,0|2,0,0]=4 1735 B3R0.2 O=C(O)O MCULE-3743781291 [2,0,0,0,0,0|0,0,0]=2 1736 B3R0.2 O=C(O)O MCULE-6373078171 [2,0,0,0,0,0|0,0,0]=2 1737 B3R0.2 O=C([O-])O MCULE-5529655359 [2,0,0,0,0,0|0,0,1]=3 1738 B3R0.2 O=C([O-])O MCULE-7293729150 [2,0,0,0,0,0|0,0,1]=3 1739 B3R0.2 O=C([O-])[O-] MCULE-1092668330 [2,0,0,0,0,0|0,0,2]=4 1740 B3R0.2 O=C([O-])[O-] MCULE-1095103800 [2,0,0,0,0,0|0,0,2]=4 1741 B3R0.2 O=C([O-])[O-] MCULE-1597066471 [2,0,0,0,0,0|0,0,2]=4 1742 B3R0.2 O=C([O-])[O-] MCULE-2005483457 [2,0,0,0,0,0|0,0,2]=4 1743 B3R0.2 O=C([O-])[O-] MCULE-3299525070 [2,0,0,0,0,0|0,0,2]=4 1744 B3R0.2 O=C([O-])[O-] MCULE-4074516840 [2,0,0,0,0,0|0,0,2]=4 1745 B3R0.2 O=C([O-])[O-] MCULE-4180727513 [2,0,0,0,0,0|0,0,2]=4 1746 B3R0.2 O=C([O-])[O-] MCULE-4294265087 [2,0,0,0,0,0|0,0,2]=4 1747 B3R0.2 O=C([O-])[O-] MCULE-5127021441 [2,0,0,0,0,0|0,0,2]=4 1748 B3R0.2 O=C([O-])[O-] MCULE-5345790821 [2,0,0,0,0,0|0,0,2]=4 1749 B3R0.2 O=C([O-])[O-] MCULE-6214917073 [2,0,0,0,0,0|0,0,2]=4 1750 B3R0.2 O=C([O-])[O-] MCULE-6757968396 [2,0,0,0,0,0|0,0,2]=4 1751 B3R0.2 O=C([O-])[O-] MCULE-7714638074 [2,0,0,0,0,0|0,0,2]=4 1752 B3R0.2 O=C([O-])[O-] MCULE-8731559807 [2,0,0,0,0,0|0,0,2]=4 1753 B3R0.2 O=I(=O)O MCULE-6335954469 [2,0,0,0,0,0|1,0,1]=4 1754 B3R0.2 O=I(=O)O MCULE-7906123102 [2,0,0,0,0,0|1,0,1]=4 1755 B3R0.2 O=N(=O)O MCULE-5926867268 [2,0,0,0,0,0|1,0,1]=4 1756 B3R0.2 O=N(=O)O MCULE-8501453871 [2,0,0,0,0,0|1,0,1]=4 1757 B3R0.2 O=P(=O)O MCULE-3007887617 [2,0,0,0,0,0|1,0,1]=4 1758 B3R0.2 O=P(O)O MCULE-8889145943 [2,0,0,0,0,0|1,0,0]=3 1759 B3R0.2 O=P([O-])O MCULE-3773885400 [2,0,0,0,0,0|1,0,1]=4 1760 B3R0.2 O=P([O-])O MCULE-6745348516 [2,0,0,0,0,0|1,0,1]=4 1761 B3R0.2 O=S(=O)O MCULE-7070708516 [2,0,0,0,0,0|1,0,1]=4 1762 B3R0.2 O=S(O)O MCULE-3188569799 [2,0,0,0,0,0|1,0,0]=3 1763 B3R0.2 O=S(O)O MCULE-7812738469 [2,0,0,0,0,0|1,0,0]=3 1764 B3R0.2 O=[Se](O)O MCULE-9081277469 [2,0,0,0,0,0|1,0,0]=3 1765 B3R0.2 O=[Si](O)O MCULE-3228936275 [2,0,0,0,0,0|0,1,0]=3 1766 B3R0.2 OB(O)O MCULE-2905906674 [2,0,0,0,0,0|1,0,1]=4 1767 B3R0.2 OB(O)O MCULE-8095091838 [2,0,0,0,0,0|1,0,1]=4 1768 B3R0.2 OP(O)O MCULE-9313199709 [2,0,0,0,0,0|1,0,1]=4 1769 B5R0.1 C#CCC(=O)O MCULE-4680699666 [1,1,0,0,0,0|0,0,1]=3 1770 B5R0.1 C#CCC(C)O MCULE-2487589857 [1,1,0,0,0,0|1,0,1]=4 1771 B5R0.1 C(C)(N)CCO MCULE-5545469271 [1,1,0,0,0,0|1,0,1]=4 1772 B5R0.1 C/C=C/C(=O)C MCULE-2109656516 [1,1,0,0,0,0|1,0,1]=4 1773 B5R0.1 C/C=C/C(=O)Cl MCULE-8378824386 [1,1,0,0,0,0|1,0,1]=4 1774 B5R0.1 C/C=C/C(=O)N MCULE-2532228624 [1,1,0,0,0,0|1,0,1]=4 1775 B5R0.1 C/C=C/C(=O)O MCULE-6937494852 [1,1,0,0,0,0|0,0,1]=3 1776 B5R0.1 C/C=C/C(C)C MCULE-8705863155 [1,1,0,0,0,0|2,0,0]=4 1777 B5R0.1 C/C=C/C(C)O MCULE-3191147789 [1,1,0,0,0,0|1,0,0]=3 1778 B5R0.1 C=C(Br)CCBr MCULE-7638627279 [1,1,0,0,0,0|2,0,0]=4 1779 B5R0.1 C=C(Br)CCO MCULE-3743908958 [1,1,0,0,0,0|2,0,0]=4 1780 B5R0.1 C=C(Br)COC MCULE-5349428431 [1,1,0,0,0,0|2,0,0]=4 1781 B5R0.1 C=C(C)CCBr MCULE-3439794005 [1,1,0,0,0,0|2,0,0]=4 1782 B5R0.1 C=C(C)CCC MCULE-8225129744 [1,1,0,0,0,0|2,0,0]=4 1783 B5R0.1 C=C(C)CCCl MCULE-2816016781 [1,1,0,0,0,0|2,0,0]=4 1784 B5R0.1 C=C(C)CCI MCULE-6317205481 [1,1,0,0,0,0|2,0,0]=4 1785 B5R0.1 C=C(C)CCN MCULE-4037025602 [1,1,0,0,0,0|2,0,0]=4 1786 B5R0.1 C=C(C)CCN MCULE-5001503744 [1,1,0,0,0,0|2,0,0]=4 1787 B5R0.1 C=C(C)CCO MCULE-2689800711 [1,1,0,0,0,0|2,0,0]=4 1788 B5R0.1 C=C(C)CNC MCULE-6783886553 [1,1,0,0,0,0|2,0,0]=4 1789 B5R0.1 C=C(C)CNC MCULE-8292313282 [1,1,0,0,0,0|2,0,0]=4 1790 B5R0.1 C=C(C)CON MCULE-2773974323 [1,1,0,0,0,0|2,0,0]=4 1791 B5R0.1 C=C(C)CON MCULE-5978680243 [1,1,0,0,0,0|2,0,0]=4 1792 B5R0.1 C=C(C)OCC MCULE-5303468686 [1,1,0,0,0,0|2,0,0]=4 1793 B5R0.1 C=CCC(=O)Cl MCULE-6033189203 [1,1,0,0,0,0|1,0,1]=4 1794 B5R0.1 C=CCC(=O)N MCULE-1205335257 [1,1,0,0,0,0|1,0,1]=4 1795 B5R0.1 C=CCC(=O)O MCULE-6288979337 [1,1,0,0,0,0|0,0,1]=3 1796 B5R0.1 C=CCC(C)Br MCULE-5638987302 [1,1,0,0,0,0|2,0,0]=4 1797 B5R0.1 C=CCC(C)C MCULE-4586731422 [1,1,0,0,0,0|2,0,0]=4 1798 B5R0.1 C=CCC(C)N MCULE-5354228552 [1,1,0,0,0,0|2,0,0]=4 1799 B5R0.1 C=CCC(C)N MCULE-9454660067 [1,1,0,0,0,0|2,0,0]=4 1800 B5R0.1 C=CCC(C)O MCULE-7724200334 [1,1,0,0,0,0|1,0,0]=3 1801 B5R0.1 C=CCC(C)O MCULE-9910771503 [1,1,0,0,0,0|1,0,0]=3 1802 B5R0.1 C=CC[C@@H](C)O MCULE-1663575568 [1,1,0,0,0,0|1,0,0]=3 1803 B5R0.1 C=CC[C@@H](C)O MCULE-3971480179 [1,1,0,0,0,0|1,0,0]=3 1804 B5R0.1 C=CC[C@H](C)N MCULE-2398654329 [1,1,0,0,0,0|2,0,0]=4 1805 B5R0.1 C=CC[C@H](C)N MCULE-5817451810 [1,1,0,0,0,0|2,0,0]=4 1806 B5R0.1 C=CC[C@H](C)O MCULE-5783959808 [1,1,0,0,0,0|1,0,0]=3 1807 B5R0.1 C=CC[C@H](C)O MCULE-6146696600 [1,1,0,0,0,0|1,0,0]=3 1808 B5R0.1 C=COC(C)C MCULE-6339383821 [1,1,0,0,0,0|2,0,0]=4 1809 B5R0.1 C=NCC(=O)N MCULE-7609497329 [1,1,0,0,0,0|1,0,1]=4 1810 B5R0.1 CC#CC(=O)C MCULE-4083248904 [1,1,0,0,0,0|1,0,1]=4 1811 B5R0.1 CC#CC(=O)Cl MCULE-6807810093 [1,1,0,0,0,0|1,0,1]=4 1812 B5R0.1 CC#CC(=O)O MCULE-9994142213 [1,1,0,0,0,0|0,0,1]=3 1813 B5R0.1 CC#CC(C)O MCULE-5523814936 [1,1,0,0,0,0|1,0,1]=4 1814 B5R0.1 CC(=CC=O)C MCULE-7002222435 [1,1,0,0,0,0|1,0,1]=4 1815 B5R0.1 CC(=CC=O)Cl MCULE-2279693190 [1,1,0,0,0,0|1,0,1]=4 1816 B5R0.1 CC(=CC=O)N MCULE-2659507627 [1,1,0,0,0,0|1,0,1]=4 1817 B5R0.1 CC(=CCO)C MCULE-3984123588 [1,1,0,0,0,0|1,0,1]=4 1818 B5R0.1 CC(=CCO)Cl MCULE-6459066496 [1,1,0,0,0,0|1,0,1]=4 1819 B5R0.1 CC(=CCO)I MCULE-4600854759 [1,1,0,0,0,0|1,0,1]=4 1820 B5R0.1 CC(=O)/C=N/O MCULE-5424156575 [1,1,0,0,0,0|0,0,2]=4 1821 B5R0.1 CC(=O)/C=N\O MCULE-9083768531 [1,1,0,0,0,0|0,0,2]=4 1822 B5R0.1 CC(=O)C=C=O MCULE-4335598177 [1,1,0,0,0,0|0,0,2]=4 1823 B5R0.1 CC(=O)C=NO MCULE-5513006918 [1,1,0,0,0,0|0,0,2]=4 1824 B5R0.1 CC(=O)CC#N MCULE-7203242552 [1,1,0,0,0,0|1,0,1]=4 1825 B5R0.1 CC(=O)CCBr MCULE-2615300206 [1,1,0,0,0,0|1,0,0]=3 1826 B5R0.1 CC(=O)CCCl MCULE-8019748964 [1,1,0,0,0,0|1,0,0]=3 1827 B5R0.1 CC(=O)CCN MCULE-7550348751 [1,1,0,0,0,0|1,0,0]=3 1828 B5R0.1 CC(=O)CCN MCULE-9519063810 [1,1,0,0,0,0|1,0,0]=3 1829 B5R0.1 CC(=O)CCO MCULE-6328537335 [1,1,0,0,0,0|1,0,0]=3 1830 B5R0.1 CC(=O)NCO MCULE-4563335540 [1,1,0,0,0,0|1,0,0]=3 1831 B5R0.1 CC(=O)OCBr MCULE-9842804945 [1,1,0,0,0,0|2,0,0]=4 1832 B5R0.1 CC(=O)OCCl MCULE-6822222026 [1,1,0,0,0,0|2,0,0]=4 1833 B5R0.1 CC(=O)SCBr MCULE-9794607323 [1,1,0,0,0,0|2,0,0]=4 1834 B5R0.1 CC(C)/C=N/O MCULE-3201457095 [1,1,0,0,0,0|1,0,0]=3 1835 B5R0.1 CC(C)C=NO MCULE-9842574696 [1,1,0,0,0,0|1,0,0]=3 1836 B5R0.1 CC(C)CC=O MCULE-2939497534 [1,1,0,0,0,0|1,0,0]=3 1837 B5R0.1 CC(C)CCO MCULE-7411270401 [1,1,0,0,0,0|1,0,1]=4 1838 B5R0.1 CC(C)CON MCULE-3476786246 [1,1,0,0,0,0|1,0,1]=4 1839 B5R0.1 CC(C)CON MCULE-4450654727 [1,1,0,0,0,0|1,0,1]=4 1840 B5R0.1 CC(C)N=C=O MCULE-8392299675 [1,1,0,0,0,0|1,0,1]=4 1841 B5R0.1 CC(C)NC=O MCULE-1764010394 [1,1,0,0,0,0|1,0,0]=3 1842 B5R0.1 CC(C)OC=O MCULE-8263698122 [1,1,0,0,0,0|1,0,0]=3 1843 B5R0.1 CC(Cl)CCO MCULE-1955496242 [1,1,0,0,0,0|1,0,1]=4 1844 B5R0.1 CC(N)CCO MCULE-1771399942 [1,1,0,0,0,0|1,0,1]=4 1845 B5R0.1 CC(N)CCO MCULE-7239872808 [1,1,0,0,0,0|1,0,1]=4 1846 B5R0.1 CC(O)CC#N MCULE-7172428142 [1,1,0,0,0,0|1,0,1]=4 1847 B5R0.1 CC(O)CCBr MCULE-7983169885 [1,1,0,0,0,0|1,0,1]=4 1848 B5R0.1 CC(O)CCCl MCULE-2952545606 [1,1,0,0,0,0|1,0,1]=4 1849 B5R0.1 CC(O)CCN MCULE-6836791276 [1,1,0,0,0,0|1,0,1]=4 1850 B5R0.1 CC(O)CCN MCULE-7186260925 [1,1,0,0,0,0|1,0,1]=4 1851 B5R0.1 CC(O)CCO MCULE-1694239851 [1,1,0,0,0,0|0,0,1]=3 1852 B5R0.1 CC(O)CCO MCULE-7784884948 [1,1,0,0,0,0|0,0,1]=3 1853 B5R0.1 CC(O)CNN MCULE-4956670781 [1,1,0,0,0,0|1,0,1]=4 1854 B5R0.1 CC(O)CNN MCULE-7917439573 [1,1,0,0,0,0|1,0,1]=4 1855 B5R0.1 CC(O)CON MCULE-1051091134 [1,1,0,0,0,0|0,0,1]=3 1856 B5R0.1 CC(O)CON MCULE-6722092589 [1,1,0,0,0,0|0,0,1]=3 1857 B5R0.1 CC(S)CCO MCULE-5702212503 [1,1,0,0,0,0|0,1,1]=4 1858 B5R0.1 CC=CC(=O)C MCULE-4826977340 [1,1,0,0,0,0|1,0,1]=4 1859 B5R0.1 CC=CC(=O)Cl MCULE-2747622237 [1,1,0,0,0,0|1,0,1]=4 1860 B5R0.1 CC=CC(=O)N MCULE-9693879476 [1,1,0,0,0,0|1,0,1]=4 1861 B5R0.1 CC=CC(=O)O MCULE-7970410217 [1,1,0,0,0,0|0,0,1]=3 1862 B5R0.1 CC=CC(C)C MCULE-9898453837 [1,1,0,0,0,0|2,0,0]=4 1863 B5R0.1 CC=CC(C)O MCULE-4806592836 [1,1,0,0,0,0|1,0,0]=3 1864 B5R0.1 CCC=C(C)C MCULE-2405063894 [1,1,0,0,0,0|2,0,0]=4 1865 B5R0.1 CCC=C(F)F MCULE-5180612061 [1,1,0,0,0,0|2,0,0]=4 1866 B5R0.1 CCCB(O)O MCULE-4994980798 [1,1,0,0,0,0|1,0,1]=4 1867 B5R0.1 CCCC(=N)N MCULE-5974105638 [1,1,0,0,0,0|2,0,0]=4 1868 B5R0.1 CCCC(=N)N MCULE-9230704591 [1,1,0,0,0,0|2,0,0]=4 1869 B5R0.1 CCCC(=O)C MCULE-7174095676 [1,1,0,0,0,0|1,0,0]=3 1870 B5R0.1 CCCC(=O)Cl MCULE-3288175193 [1,1,0,0,0,0|1,0,0]=3 1871 B5R0.1 CCCC(=O)N MCULE-2712067671 [1,1,0,0,0,0|1,0,0]=3 1872 B5R0.1 CCCC(=O)O MCULE-4116382006 [1,1,0,0,0,0|0,0,0]=2 1873 B5R0.1 CCCC(=O)[O-] MCULE-8706538802 [1,1,0,0,0,0|0,0,1]=3 1874 B5R0.1 CCCC(=O)[O-] MCULE-9764702574 [1,1,0,0,0,0|0,0,1]=3 1875 B5R0.1 CCCC(=S)N MCULE-3529335988 [1,1,0,0,0,0|1,1,0]=4 1876 B5R0.1 CCCC(=S)O MCULE-3382199964 [1,1,0,0,0,0|0,1,0]=3 1877 B5R0.1 CCCC(C)O MCULE-8205906299 [1,1,0,0,0,0|1,0,1]=4 1878 B5R0.1 CCCC(O)Cl MCULE-3188577082 [1,1,0,0,0,0|1,0,1]=4 1879 B5R0.1 CCCN(=O)=O MCULE-5615753372 [1,1,0,0,0,0|1,0,1]=4 1880 B5R0.1 CCCS(=O)[O-] MCULE-4306915022 [1,1,0,0,0,0|1,0,1]=4 1881 B5R0.1 CCCS(=O)[O-] MCULE-9775151913 [1,1,0,0,0,0|1,0,1]=4 1882 B5R0.1 CCC[C@@H](C)O MCULE-1540573875 [1,1,0,0,0,0|1,0,1]=4 1883 B5R0.1 CCC[C@H](C)O MCULE-6976816276 [1,1,0,0,0,0|1,0,1]=4 1884 B5R0.1 CCNC(=N)N MCULE-4729418155 [1,1,0,0,0,0|2,0,0]=4 1885 B5R0.1 CCNC(=N)N MCULE-5123343071 [1,1,0,0,0,0|2,0,0]=4 1886 B5R0.1 CCNC(=O)C MCULE-7543656350 [1,1,0,0,0,0|1,0,0]=3 1887 B5R0.1 CCNC(=O)Cl MCULE-5831262934 [1,1,0,0,0,0|1,0,0]=3 1888 B5R0.1 CCNC(=O)N MCULE-1913599861 [1,1,0,0,0,0|1,0,0]=3 1889 B5R0.1 CCNC(=S)N MCULE-3849517146 [1,1,0,0,0,0|1,1,0]=4 1890 B5R0.1 CCOC(=N)C MCULE-3060267072 [1,1,0,0,0,0|2,0,0]=4 1891 B5R0.1 CCOC(=N)C MCULE-3943786182 [1,1,0,0,0,0|2,0,0]=4 1892 B5R0.1 CCOC(=N)N MCULE-3570858508 [1,1,0,0,0,0|2,0,0]=4 1893 B5R0.1 CCOC(=N)N MCULE-6061063856 [1,1,0,0,0,0|2,0,0]=4 1894 B5R0.1 CCOC(=O)C MCULE-6628539781 [1,1,0,0,0,0|1,0,0]=3 1895 B5R0.1 CCOC(=O)Cl MCULE-4167904934 [1,1,0,0,0,0|1,0,0]=3 1896 B5R0.1 CCOC(=O)N MCULE-1776877276 [1,1,0,0,0,0|1,0,0]=3 1897 B5R0.1 CCOC(=S)C MCULE-3358897597 [1,1,0,0,0,0|1,1,0]=4 1898 B5R0.1 CCOC(=S)N MCULE-4649285010 [1,1,0,0,0,0|1,1,0]=4 1899 B5R0.1 CCOC(=S)[S-] MCULE-6247969567 [1,1,0,0,0,0|0,2,0]=4 1900 B5R0.1 CCOC(=S)[S-] MCULE-6902289618 [1,1,0,0,0,0|0,2,0]=4 1901 B5R0.1 CCOC(=S)[S-] MCULE-9105300958 [1,1,0,0,0,0|0,2,0]=4 1902 B5R0.1 CCSC(=N)N MCULE-2161729152 [1,1,0,0,0,0|2,0,0]=4 1903 B5R0.1 CCSC(=N)N MCULE-2547252984 [1,1,0,0,0,0|2,0,0]=4 1904 B5R0.1 CCSC(=O)C MCULE-8015440229 [1,1,0,0,0,0|1,0,0]=3 1905 B5R0.1 CCSC(=S)C MCULE-1502137460 [1,1,0,0,0,0|1,1,0]=4 1906 B5R0.1 CCSC(=S)[S-] MCULE-2573650807 [1,1,0,0,0,0|0,2,0]=4 1907 B5R0.1 CCSC(=S)[S-] MCULE-6172057982 [1,1,0,0,0,0|0,2,0]=4 1908 B5R0.1 CC[NH2+]C(=N)N MCULE-1701852752 [1,1,0,0,0,0|2,0,0]=4 1909 B5R0.1 CC[O+]=C(N)N MCULE-2484225131 [1,1,0,0,0,0|2,0,0]=4 1910 B5R0.1 CC[O+]=C(N)N MCULE-6688774534 [1,1,0,0,0,0|2,0,0]=4 1911 B5R0.1 CN(C)CC=O MCULE-1229218563 [1,1,0,0,0,0|2,0,0]=4 1912 B5R0.1 CN(C)CC=O MCULE-3577561950 [1,1,0,0,0,0|2,0,0]=4 1913 B5R0.1 CN(C)CC=O MCULE-4493766862 [1,1,0,0,0,0|2,0,0]=4 1914 B5R0.1 CN(C)CC=O MCULE-8123455398 [1,1,0,0,0,0|2,0,0]=4 1915 B5R0.1 CN(C)NC=O MCULE-1557896286 [1,1,0,0,0,0|2,0,0]=4 1916 B5R0.1 CNCC(=O)C MCULE-3695443024 [1,1,0,0,0,0|1,0,0]=3 1917 B5R0.1 CNCC(=O)C MCULE-7402723072 [1,1,0,0,0,0|1,0,0]=3 1918 B5R0.1 CNCC(=O)N MCULE-2328887394 [1,1,0,0,0,0|1,0,0]=3 1919 B5R0.1 CNCC(=O)N MCULE-3031605853 [1,1,0,0,0,0|1,0,0]=3 1920 B5R0.1 CNCC(=O)N MCULE-7300977677 [1,1,0,0,0,0|1,0,0]=3 1921 B5R0.1 CNCC(=O)O MCULE-3448356048 [1,1,0,0,0,0|0,0,0]=2 1922 B5R0.1 CNCC(=O)O MCULE-4484444573 [1,1,0,0,0,0|0,0,0]=2 1923 B5R0.1 CNCC(=O)[O-] MCULE-7993701866 [1,1,0,0,0,0|0,0,1]=3 1924 B5R0.1 CNCC(C)O MCULE-3671071529 [1,1,0,0,0,0|1,0,1]=4 1925 B5R0.1 CNCC(C)O MCULE-4171705304 [1,1,0,0,0,0|1,0,1]=4 1926 B5R0.1 CNC[C@@H](C)O MCULE-2953164520 [1,1,0,0,0,0|1,0,1]=4 1927 B5R0.1 CNC[C@@H](C)O MCULE-3161721140 [1,1,0,0,0,0|1,0,1]=4 1928 B5R0.1 CNC[C@@H](C)O MCULE-6218150837 [1,1,0,0,0,0|1,0,1]=4 1929 B5R0.1 CNC[C@@H](C)O MCULE-8245274547 [1,1,0,0,0,0|1,0,1]=4 1930 B5R0.1 CNC[C@H](C)O MCULE-2655303492 [1,1,0,0,0,0|1,0,1]=4 1931 B5R0.1 CNC[C@H](C)O MCULE-7346940457 [1,1,0,0,0,0|1,0,1]=4 1932 B5R0.1 CNOC(=O)C MCULE-1464426541 [1,1,0,0,0,0|2,0,0]=4 1933 B5R0.1 CNOC(=O)C MCULE-2976282666 [1,1,0,0,0,0|2,0,0]=4 1934 B5R0.1 COC=C(C)C MCULE-6348538911 [1,1,0,0,0,0|1,0,1]=4 1935 B5R0.1 COCC(=N)N MCULE-4711728356 [1,1,0,0,0,0|2,0,0]=4 1936 B5R0.1 COCC(=N)N MCULE-7163250467 [1,1,0,0,0,0|2,0,0]=4 1937 B5R0.1 COCC(=O)C MCULE-7262197587 [1,1,0,0,0,0|1,0,0]=3 1938 B5R0.1 COCC(=O)Cl MCULE-5449267495 [1,1,0,0,0,0|1,0,0]=3 1939 B5R0.1 COCC(=O)N MCULE-6674958132 [1,1,0,0,0,0|1,0,0]=3 1940 B5R0.1 COCC(=O)O MCULE-3945589151 [1,1,0,0,0,0|0,0,0]=2 1941 B5R0.1 COCC(=S)N MCULE-2046809269 [1,1,0,0,0,0|1,1,0]=4 1942 B5R0.1 COCC(C)Br MCULE-6850689931 [1,1,0,0,0,0|1,0,1]=4 1943 B5R0.1 COCC(C)I MCULE-8608265714 [1,1,0,0,0,0|1,0,1]=4 1944 B5R0.1 COCC(C)N MCULE-1896873634 [1,1,0,0,0,0|1,0,1]=4 1945 B5R0.1 COCC(C)N MCULE-2549420211 [1,1,0,0,0,0|1,0,1]=4 1946 B5R0.1 COCC(C)N MCULE-3490410444 [1,1,0,0,0,0|1,0,1]=4 1947 B5R0.1 COCC(C)N MCULE-7089888882 [1,1,0,0,0,0|1,0,1]=4 1948 B5R0.1 COCC(C)O MCULE-4022733014 [1,1,0,0,0,0|0,0,1]=3 1949 B5R0.1 COCC(C)O MCULE-7513310960 [1,1,0,0,0,0|0,0,1]=3 1950 B5R0.1 COC[C@@H](C)N MCULE-1225912236 [1,1,0,0,0,0|1,0,1]=4 1951 B5R0.1 COC[C@@H](C)N MCULE-2754628271 [1,1,0,0,0,0|1,0,1]=4 1952 B5R0.1 COC[C@@H](C)N MCULE-4676764915 [1,1,0,0,0,0|1,0,1]=4 1953 B5R0.1 COC[C@@H](C)N MCULE-8891950737 [1,1,0,0,0,0|1,0,1]=4 1954 B5R0.1 COC[C@@H](C)O MCULE-6287552520 [1,1,0,0,0,0|0,0,1]=3 1955 B5R0.1 COC[C@@H](C)O MCULE-7942118801 [1,1,0,0,0,0|0,0,1]=3 1956 B5R0.1 COC[C@H](C)N MCULE-2465679418 [1,1,0,0,0,0|1,0,1]=4 1957 B5R0.1 COC[C@H](C)N MCULE-2998593539 [1,1,0,0,0,0|1,0,1]=4 1958 B5R0.1 COC[C@H](C)N MCULE-3161045661 [1,1,0,0,0,0|1,0,1]=4 1959 B5R0.1 COC[C@H](C)N MCULE-9550165578 [1,1,0,0,0,0|1,0,1]=4 1960 B5R0.1 COC[C@H](C)O MCULE-5908531683 [1,1,0,0,0,0|0,0,1]=3 1961 B5R0.1 COC[C@H](C)O MCULE-8619138238 [1,1,0,0,0,0|0,0,1]=3 1962 B5R0.1 CONC(=O)C MCULE-6601866630 [1,1,0,0,0,0|2,0,0]=4 1963 B5R0.1 CONC(=O)N MCULE-3063713861 [1,1,0,0,0,0|2,0,0]=4 1964 B5R0.1 CS(=O)CCBr MCULE-7846126230 [1,1,0,0,0,0|2,0,0]=4 1965 B5R0.1 CS(=O)CCCl MCULE-7012781505 [1,1,0,0,0,0|2,0,0]=4 1966 B5R0.1 CS(=O)CCN MCULE-6497874560 [1,1,0,0,0,0|2,0,0]=4 1967 B5R0.1 CS(=O)CCN MCULE-8275663766 [1,1,0,0,0,0|2,0,0]=4 1968 B5R0.1 CS(=O)CCN MCULE-8330490290 [1,1,0,0,0,0|2,0,0]=4 1969 B5R0.1 CS(=O)CCO MCULE-8331553582 [1,1,0,0,0,0|2,0,0]=4 1970 B5R0.1 CSCC(=N)N MCULE-7800929509 [1,1,0,0,0,0|2,0,0]=4 1971 B5R0.1 CSCC(=N)N MCULE-8499985777 [1,1,0,0,0,0|2,0,0]=4 1972 B5R0.1 CSCC(=O)C MCULE-4131794172 [1,1,0,0,0,0|1,0,0]=3 1973 B5R0.1 CSCC(=O)Cl MCULE-9750052685 [1,1,0,0,0,0|1,0,0]=3 1974 B5R0.1 CSCC(=O)N MCULE-4865579476 [1,1,0,0,0,0|1,0,0]=3 1975 B5R0.1 CSCC(=O)O MCULE-7003418159 [1,1,0,0,0,0|0,0,0]=2 1976 B5R0.1 CSCC(=S)N MCULE-5029100305 [1,1,0,0,0,0|1,1,0]=4 1977 B5R0.1 CSCC(C)O MCULE-2227652351 [1,1,0,0,0,0|0,1,1]=4 1978 B5R0.1 CSCS(=O)C MCULE-3167702486 [1,1,0,0,0,0|2,0,0]=4 1979 B5R0.1 CSNC(=O)C MCULE-7350061514 [1,1,0,0,0,0|2,0,0]=4 1980 B5R0.1 C[C@@H](N)CCO MCULE-4224878672 [1,1,0,0,0,0|1,0,1]=4 1981 B5R0.1 C[C@@H](N)CCO MCULE-5727539473 [1,1,0,0,0,0|1,0,1]=4 1982 B5R0.1 C[C@@H](O)CC#N MCULE-2879004464 [1,1,0,0,0,0|1,0,1]=4 1983 B5R0.1 C[C@@H](O)CCN MCULE-7588849994 [1,1,0,0,0,0|1,0,1]=4 1984 B5R0.1 C[C@@H](O)CCN MCULE-7895006310 [1,1,0,0,0,0|1,0,1]=4 1985 B5R0.1 C[C@@H](O)CCN MCULE-9071323255 [1,1,0,0,0,0|1,0,1]=4 1986 B5R0.1 C[C@@H](O)CCN MCULE-9627550610 [1,1,0,0,0,0|1,0,1]=4 1987 B5R0.1 C[C@@H](O)CCO MCULE-6277947442 [1,1,0,0,0,0|0,0,1]=3 1988 B5R0.1 C[C@@H](O)CCO MCULE-9742368348 [1,1,0,0,0,0|0,0,1]=3 1989 B5R0.1 C[C@@H](O)CON MCULE-3740397343 [1,1,0,0,0,0|0,0,1]=3 1990 B5R0.1 C[C@@H](O)CON MCULE-8274376872 [1,1,0,0,0,0|0,0,1]=3 1991 B5R0.1 C[C@H](N)CCO MCULE-1496375567 [1,1,0,0,0,0|1,0,1]=4 1992 B5R0.1 C[C@H](N)CCO MCULE-4744824708 [1,1,0,0,0,0|1,0,1]=4 1993 B5R0.1 C[C@H](N)CCO MCULE-7219173683 [1,1,0,0,0,0|1,0,1]=4 1994 B5R0.1 C[C@H](N)CCO MCULE-9164942837 [1,1,0,0,0,0|1,0,1]=4 1995 B5R0.1 C[C@H](O)CC#N MCULE-1968982761 [1,1,0,0,0,0|1,0,1]=4 1996 B5R0.1 C[C@H](O)CCN MCULE-7570743309 [1,1,0,0,0,0|1,0,1]=4 1997 B5R0.1 C[C@H](O)CCN MCULE-9428853702 [1,1,0,0,0,0|1,0,1]=4 1998 B5R0.1 C[C@H](O)CCO MCULE-2504912618 [1,1,0,0,0,0|0,0,1]=3 1999 B5R0.1 C[C@H](O)CCO MCULE-2958119786 [1,1,0,0,0,0|0,0,1]=3 2000 B5R0.1 C[C@H](O)CON MCULE-4216605221 [1,1,0,0,0,0|0,0,1]=3 2001 B5R0.1 C[C@H](O)CON MCULE-9863094719 [1,1,0,0,0,0|0,0,1]=3 2002 B5R0.1 C[S@@](=O)CCO MCULE-4485824334 [1,1,0,0,0,0|2,0,0]=4 2003 B5R0.1 N#CCC(=O)Cl MCULE-7971055738 [1,1,0,0,0,0|1,0,1]=4 2004 B5R0.1 N#CCC(=O)N MCULE-8538286230 [1,1,0,0,0,0|1,0,1]=4 2005 B5R0.1 N#CCC(=O)O MCULE-3440765061 [1,1,0,0,0,0|0,0,1]=3 2006 B5R0.1 N#CCC(=O)[O-] MCULE-2598625909 [1,1,0,0,0,0|0,0,2]=4 2007 B5R0.1 N#CCC(=O)[O-] MCULE-3532110520 [1,1,0,0,0,0|0,0,2]=4 2008 B5R0.1 N=C(N)CCCl MCULE-2314996365 [1,1,0,0,0,0|2,0,0]=4 2009 B5R0.1 N=C(N)CCCl MCULE-3129838313 [1,1,0,0,0,0|2,0,0]=4 2010 B5R0.1 N=C(N)CCO MCULE-4567824707 [1,1,0,0,0,0|2,0,0]=4 2011 B5R0.1 N=C(N)CCO MCULE-7139693715 [1,1,0,0,0,0|2,0,0]=4 2012 B5R0.1 NC(=O)C=NO MCULE-6447662753 [1,1,0,0,0,0|1,0,1]=4 2013 B5R0.1 NC(=O)CCBr MCULE-3930714776 [1,1,0,0,0,0|1,0,0]=3 2014 B5R0.1 NC(=O)CCCl MCULE-8300320959 [1,1,0,0,0,0|1,0,0]=3 2015 B5R0.1 NC(=O)CCO MCULE-4026170350 [1,1,0,0,0,0|1,0,0]=3 2016 B5R0.1 NC(=O)CCS MCULE-7451827717 [1,1,0,0,0,0|1,0,0]=3 2017 B5R0.1 NC(=O)NCO MCULE-7403641101 [1,1,0,0,0,0|1,0,0]=3 2018 B5R0.1 NCCC(=O)Cl MCULE-1298355499 [1,1,0,0,0,0|1,0,0]=3 2019 B5R0.1 NCCC(=O)N MCULE-2899414135 [1,1,0,0,0,0|1,0,0]=3 2020 B5R0.1 NCCC(=O)N MCULE-6993286668 [1,1,0,0,0,0|1,0,0]=3 2021 B5R0.1 NCCC(=O)O MCULE-1344289084 [1,1,0,0,0,0|0,0,0]=2 2022 B5R0.1 NCCC(=O)O MCULE-2298605337 [1,1,0,0,0,0|0,0,0]=2 2023 B5R0.1 NCCC(=O)O MCULE-9375577631 [1,1,0,0,0,0|0,0,0]=2 2024 B5R0.1 NCCC(=O)[O-] MCULE-2492250086 [1,1,0,0,0,0|0,0,1]=3 2025 B5R0.1 NCCN(=O)=O MCULE-8137427440 [1,1,0,0,0,0|1,0,1]=4 2026 B5R0.1 NCCP(=O)O MCULE-7093964616 [1,1,0,0,0,0|1,0,0]=3 2027 B5R0.1 NCCS(=O)O MCULE-4372248641 [1,1,0,0,0,0|1,0,0]=3 2028 B5R0.1 NNCC(=O)N MCULE-2794619708 [1,1,0,0,0,0|2,0,0]=4 2029 B5R0.1 NNCC(=O)N MCULE-6773156087 [1,1,0,0,0,0|2,0,0]=4 2030 B5R0.1 NNCC(=O)O MCULE-4908184724 [1,1,0,0,0,0|1,0,0]=3 2031 B5R0.1 NNCC(=O)O MCULE-6315598774 [1,1,0,0,0,0|1,0,0]=3 2032 B5R0.1 NOCC(=O)O MCULE-4566186819 [1,1,0,0,0,0|0,0,0]=2 2033 B5R0.1 NOCC(=O)O MCULE-4824237418 [1,1,0,0,0,0|0,0,0]=2 2034 B5R0.1 NOCC(=O)O MCULE-8132180423 [1,1,0,0,0,0|0,0,0]=2 2035 B5R0.1 O=C(Cl)CCBr MCULE-4659506608 [1,1,0,0,0,0|1,0,0]=3 2036 B5R0.1 O=C(Cl)CCCl MCULE-3313924878 [1,1,0,0,0,0|1,0,0]=3 2037 B5R0.1 O=C(Cl)CCF MCULE-3316397790 [1,1,0,0,0,0|1,0,0]=3 2038 B5R0.1 O=C(Cl)OCCl MCULE-2130588147 [1,1,0,0,0,0|2,0,0]=4 2039 B5R0.1 O=C(O)/C=C/Br MCULE-7284519266 [1,1,0,0,0,0|0,0,2]=4 2040 B5R0.1 O=C(O)/C=C/Cl MCULE-1625781671 [1,1,0,0,0,0|0,0,2]=4 2041 B5R0.1 O=C(O)/C=C/I MCULE-3339607379 [1,1,0,0,0,0|0,0,2]=4 2042 B5R0.1 O=C(O)/C=C\Br MCULE-6149049313 [1,1,0,0,0,0|0,0,2]=4 2043 B5R0.1 O=C(O)/C=C\Cl MCULE-1221996674 [1,1,0,0,0,0|0,0,2]=4 2044 B5R0.1 O=C(O)/C=C\I MCULE-3065405012 [1,1,0,0,0,0|0,0,2]=4 2045 B5R0.1 O=C(O)/C=N/O MCULE-2471349844 [1,1,0,0,0,0|0,0,1]=3 2046 B5R0.1 O=C(O)C#CBr MCULE-1997285471 [1,1,0,0,0,0|0,0,2]=4 2047 B5R0.1 O=C(O)C=CBr MCULE-2956464856 [1,1,0,0,0,0|0,0,2]=4 2048 B5R0.1 O=C(O)C=CCl MCULE-6369812151 [1,1,0,0,0,0|0,0,2]=4 2049 B5R0.1 O=C(O)C=CI MCULE-7162332129 [1,1,0,0,0,0|0,0,2]=4 2050 B5R0.1 O=C(O)C=NO MCULE-2039309679 [1,1,0,0,0,0|0,0,1]=3 2051 B5R0.1 O=C(O)CCBr MCULE-2816055853 [1,1,0,0,0,0|0,0,0]=2 2052 B5R0.1 O=C(O)CCCl MCULE-8511144183 [1,1,0,0,0,0|0,0,0]=2 2053 B5R0.1 O=C(O)CCF MCULE-4382025684 [1,1,0,0,0,0|0,0,0]=2 2054 B5R0.1 O=C(O)CCI MCULE-3371354708 [1,1,0,0,0,0|0,0,0]=2 2055 B5R0.1 O=C(O)CCO MCULE-3428604829 [1,1,0,0,0,0|0,0,0]=2 2056 B5R0.1 O=C(O)CCS MCULE-3211932163 [1,1,0,0,0,0|0,0,0]=2 2057 B5R0.1 O=C(O)CNO MCULE-4437067339 [1,1,0,0,0,0|0,0,0]=2 2058 B5R0.1 O=C([O-])C#CO MCULE-3725047218 [1,1,0,0,0,0|0,0,2]=4 2059 B5R0.1 O=C([O-])C#CO MCULE-9125153565 [1,1,0,0,0,0|0,0,2]=4 2060 B5R0.1 O=C([O-])CCO MCULE-4429611588 [1,1,0,0,0,0|0,0,1]=3 2061 B5R0.1 O=N(=O)CCO MCULE-2060841405 [1,1,0,0,0,0|1,0,1]=4 2062 B5R0.1 O=N(=O)CCS MCULE-4845430658 [1,1,0,0,0,0|1,0,1]=4 2063 B5R0.1 OCC=C(Cl)Cl MCULE-6473037027 [1,1,0,0,0,0|2,0,0]=4 2064 B5R0.1 [C@@H](C)(O)CCC MCULE-9717120293 [1,1,0,0,0,0|1,0,1]=4 2065 B5R0.1 [C@@H](C)(O)CNC MCULE-2044067921 [1,1,0,0,0,0|1,0,1]=4 2066 B5R0.1 [C@H](C)(O)CC#N MCULE-6894178072 [1,1,0,0,0,0|1,0,1]=4 2067 B5R0.1 [C@H](C)(O)CCC MCULE-2689023898 [1,1,0,0,0,0|1,0,1]=4 2068 B5R0.3 C#CC(=O)CC MCULE-1563732373 [1,1,0,0,0,0|1,0,0]=3 2069 B5R0.3 C#CC(=O)NC MCULE-8852565705 [1,1,0,0,0,0|2,0,0]=4 2070 B5R0.3 C#CC(=O)OC MCULE-5108326717 [1,1,0,0,0,0|0,0,2]=4 2071 B5R0.3 C#CC(C)OC MCULE-3702592933 [1,1,0,0,0,0|1,0,1]=4 2072 B5R0.3 C#CC(C)OC MCULE-3806443816 [1,1,0,0,0,0|1,0,1]=4 2073 B5R0.3 C#CC(O)C=C MCULE-5849420618 [1,1,0,0,0,0|1,0,1]=4 2074 B5R0.3 C#CC(O)CC MCULE-9890863731 [1,1,0,0,0,0|1,0,1]=4 2075 B5R0.3 C#C[C@H](C)OC MCULE-9002531152 [1,1,0,0,0,0|1,0,1]=4 2076 B5R0.3 C/C(=C\N)/C=O MCULE-4713460468 [1,1,0,0,0,0|1,0,1]=4 2077 B5R0.3 C/C=C(/C)\CC MCULE-9789907985 [1,1,0,0,0,0|2,0,0]=4 2078 B5R0.3 C/C=C(\C)/C=O MCULE-2818872726 [1,1,0,0,0,0|1,0,1]=4 2079 B5R0.3 C/C=C(\C)/CC MCULE-7119786881 [1,1,0,0,0,0|2,0,0]=4 2080 B5R0.3 C=C(C#N)CO MCULE-4330549804 [1,1,0,0,0,0|2,0,0]=4 2081 B5R0.3 C=C(C=O)CC MCULE-2875154067 [1,1,0,0,0,0|1,0,0]=3 2082 B5R0.3 C=C(CC)CBr MCULE-1652422688 [1,1,0,0,0,0|2,0,0]=4 2083 B5R0.3 C=C(CC)CC MCULE-9174509622 [1,1,0,0,0,0|2,0,0]=4 2084 B5R0.3 C=C(CC)CN MCULE-2269385026 [1,1,0,0,0,0|2,0,0]=4 2085 B5R0.3 C=C(CC)CN MCULE-3033447984 [1,1,0,0,0,0|2,0,0]=4 2086 B5R0.3 C=C(CC)CO MCULE-8127766352 [1,1,0,0,0,0|1,0,0]=3 2087 B5R0.3 C=C(CO)CBr MCULE-9563589949 [1,1,0,0,0,0|2,0,0]=4 2088 B5R0.3 C=C(CO)CO MCULE-2682601949 [1,1,0,0,0,0|1,0,0]=3 2089 B5R0.3 C=CC(=O)CC MCULE-7277696617 [1,1,0,0,0,0|1,0,0]=3 2090 B5R0.3 C=CC(=O)NC MCULE-5619481947 [1,1,0,0,0,0|2,0,0]=4 2091 B5R0.3 C=CC(=O)NO MCULE-9528737042 [1,1,0,0,0,0|0,0,2]=4 2092 B5R0.3 C=CC(=O)OC MCULE-6010665978 [1,1,0,0,0,0|0,0,2]=4 2093 B5R0.3 C=CC(C)C#N MCULE-7507500865 [1,1,0,0,0,0|2,0,0]=4 2094 B5R0.3 C=CC(C)CC MCULE-8112547661 [1,1,0,0,0,0|2,0,0]=4 2095 B5R0.3 C=CC(C)NC MCULE-1929679074 [1,1,0,0,0,0|2,0,0]=4 2096 B5R0.3 C=CC(C)NC MCULE-6382339452 [1,1,0,0,0,0|2,0,0]=4 2097 B5R0.3 C=CC(C)ON MCULE-2385478473 [1,1,0,0,0,0|1,0,0]=3 2098 B5R0.3 C=CC(C)ON MCULE-3428023923 [1,1,0,0,0,0|1,0,0]=3 2099 B5R0.3 C=CC(Cl)CCl MCULE-8000466907 [1,1,0,0,0,0|2,0,0]=4 2100 B5R0.3 C=CC(N)CC MCULE-6270835453 [1,1,0,0,0,0|2,0,0]=4 2101 B5R0.3 C=CC(N)CC MCULE-7920121163 [1,1,0,0,0,0|2,0,0]=4 2102 B5R0.3 C=CC(N)CO MCULE-2457433196 [1,1,0,0,0,0|2,0,0]=4 2103 B5R0.3 C=CC(N)CO MCULE-6697949182 [1,1,0,0,0,0|2,0,0]=4 2104 B5R0.3 C=CC(N)CO MCULE-7137123222 [1,1,0,0,0,0|2,0,0]=4 2105 B5R0.3 C=CC(N)CO MCULE-8388687355 [1,1,0,0,0,0|2,0,0]=4 2106 B5R0.3 C=CC(O)C#N MCULE-2341615846 [1,1,0,0,0,0|1,0,1]=4 2107 B5R0.3 C=CC(O)C=C MCULE-7283842025 [1,1,0,0,0,0|1,0,1]=4 2108 B5R0.3 C=CC(O)CBr MCULE-3538023814 [1,1,0,0,0,0|1,0,0]=3 2109 B5R0.3 C=CC(O)CC MCULE-2794806228 [1,1,0,0,0,0|1,0,0]=3 2110 B5R0.3 C=CC(O)CN MCULE-3472823475 [1,1,0,0,0,0|1,0,0]=3 2111 B5R0.3 C=CC(O)CO MCULE-6172654550 [1,1,0,0,0,0|1,0,0]=3 2112 B5R0.3 C=C[C@@H](N)CO MCULE-1000343618 [1,1,0,0,0,0|2,0,0]=4 2113 B5R0.3 C=C[C@@H](N)CO MCULE-1074988940 [1,1,0,0,0,0|2,0,0]=4 2114 B5R0.3 C=C[C@@H](N)CO MCULE-3685491078 [1,1,0,0,0,0|2,0,0]=4 2115 B5R0.3 C=C[C@@H](N)CO MCULE-4969611575 [1,1,0,0,0,0|2,0,0]=4 2116 B5R0.3 C=C[C@@H](O)CO MCULE-5957455616 [1,1,0,0,0,0|1,0,0]=3 2117 B5R0.3 C=C[C@H](N)CO MCULE-2834725512 [1,1,0,0,0,0|2,0,0]=4 2118 B5R0.3 C=C[C@H](N)CO MCULE-3281738311 [1,1,0,0,0,0|2,0,0]=4 2119 B5R0.3 C=C[C@H](N)CO MCULE-3551585090 [1,1,0,0,0,0|2,0,0]=4 2120 B5R0.3 C=C[C@H](N)CO MCULE-9055556349 [1,1,0,0,0,0|2,0,0]=4 2121 B5R0.3 C=C[C@H](O)CO MCULE-6068203844 [1,1,0,0,0,0|1,0,0]=3 2122 B5R0.3 C=C[C@H](O)CO MCULE-9367072182 [1,1,0,0,0,0|1,0,0]=3 2123 B5R0.3 CC(=CI)CO MCULE-8491569199 [1,1,0,0,0,0|1,0,1]=4 2124 B5R0.3 CC(=CN)C=O MCULE-5507488903 [1,1,0,0,0,0|1,0,1]=4 2125 B5R0.3 CC(=NO)CS MCULE-9694340512 [1,1,0,0,0,0|1,1,0]=4 2126 B5R0.3 CC(C#N)CO MCULE-1644391554 [1,1,0,0,0,0|1,0,1]=4 2127 B5R0.3 CC(CN)CO MCULE-5880795484 [1,1,0,0,0,0|1,0,1]=4 2128 B5R0.3 CC(CN)CO MCULE-8083007887 [1,1,0,0,0,0|1,0,1]=4 2129 B5R0.3 CC(CO)CBr MCULE-3815333295 [1,1,0,0,0,0|1,0,1]=4 2130 B5R0.3 CC(CO)CBr MCULE-5695891877 [1,1,0,0,0,0|1,0,1]=4 2131 B5R0.3 CC(CO)CO MCULE-2340730326 [1,1,0,0,0,0|0,0,1]=3 2132 B5R0.3 CC(CO)CS MCULE-1990992504 [1,1,0,0,0,0|0,1,1]=4 2133 B5R0.3 CC(CO)NN MCULE-3362748538 [1,1,0,0,0,0|1,0,1]=4 2134 B5R0.3 CC(CO)NN MCULE-4440318216 [1,1,0,0,0,0|1,0,1]=4 2135 B5R0.3 CC/C(=N/O)/C MCULE-9139048973 [1,1,0,0,0,0|1,0,0]=3 2136 B5R0.3 CC/C(=N/O)/N MCULE-2794748611 [1,1,0,0,0,0|1,0,0]=3 2137 B5R0.3 CC/C(=N/O)/N MCULE-7162577220 [1,1,0,0,0,0|1,0,0]=3 2138 B5R0.3 CC=C(Br)C=O MCULE-4703333701 [1,1,0,0,0,0|1,0,1]=4 2139 B5R0.3 CC=C(C)C=O MCULE-9453566957 [1,1,0,0,0,0|1,0,1]=4 2140 B5R0.3 CC=C(C)CC MCULE-5790494157 [1,1,0,0,0,0|2,0,0]=4 2141 B5R0.3 CCC(=N)OC MCULE-4123543795 [1,1,0,0,0,0|1,0,0]=3 2142 B5R0.3 CCC(=N)OC MCULE-5346320805 [1,1,0,0,0,0|1,0,0]=3 2143 B5R0.3 CCC(=NO)C MCULE-1859652505 [1,1,0,0,0,0|1,0,0]=3 2144 B5R0.3 CCC(=O)CBr MCULE-7825573294 [1,1,0,0,0,0|1,0,0]=3 2145 B5R0.3 CCC(=O)CC MCULE-8236549739 [1,1,0,0,0,0|1,0,0]=3 2146 B5R0.3 CCC(=O)CCl MCULE-9019890380 [1,1,0,0,0,0|1,0,0]=3 2147 B5R0.3 CCC(=O)CN MCULE-1863418812 [1,1,0,0,0,0|1,0,0]=3 2148 B5R0.3 CCC(=O)CN MCULE-5831164340 [1,1,0,0,0,0|1,0,0]=3 2149 B5R0.3 CCC(=O)CO MCULE-8674894820 [1,1,0,0,0,0|0,0,0]=2 2150 B5R0.3 CCC(=O)NC MCULE-5612060170 [1,1,0,0,0,0|1,0,0]=3 2151 B5R0.3 CCC(=O)NN MCULE-1803705917 [1,1,0,0,0,0|1,0,0]=3 2152 B5R0.3 CCC(=O)NO MCULE-1033164448 [1,1,0,0,0,0|0,0,0]=2 2153 B5R0.3 CCC(=O)OC MCULE-7384824725 [1,1,0,0,0,0|0,0,0]=2 2154 B5R0.3 CCC(=O)SC MCULE-9712192191 [1,1,0,0,0,0|0,1,0]=3 2155 B5R0.3 CCC(Br)C=O MCULE-3064952987 [1,1,0,0,0,0|1,0,0]=3 2156 B5R0.3 CCC(Br)CO MCULE-7211805716 [1,1,0,0,0,0|1,0,1]=4 2157 B5R0.3 CCC(C)C=O MCULE-2523669899 [1,1,0,0,0,0|1,0,0]=3 2158 B5R0.3 CCC(C)CO MCULE-6521026296 [1,1,0,0,0,0|1,0,1]=4 2159 B5R0.3 CCC(C)NO MCULE-1247092627 [1,1,0,0,0,0|1,0,1]=4 2160 B5R0.3 CCC(C)NO MCULE-6169819668 [1,1,0,0,0,0|1,0,1]=4 2161 B5R0.3 CCC(C)OC MCULE-7354431606 [1,1,0,0,0,0|1,0,1]=4 2162 B5R0.3 CCC(C)ON MCULE-2907890438 [1,1,0,0,0,0|1,0,1]=4 2163 B5R0.3 CCC(C)ON MCULE-4364205813 [1,1,0,0,0,0|1,0,1]=4 2164 B5R0.3 CCC(Cl)C=O MCULE-5238776091 [1,1,0,0,0,0|1,0,0]=3 2165 B5R0.3 CCC(Cl)CO MCULE-1756262629 [1,1,0,0,0,0|1,0,1]=4 2166 B5R0.3 CCC(N)CO MCULE-1135809021 [1,1,0,0,0,0|1,0,1]=4 2167 B5R0.3 CCC(N)CO MCULE-7588854111 [1,1,0,0,0,0|1,0,1]=4 2168 B5R0.3 CCC(O)C#N MCULE-5389816542 [1,1,0,0,0,0|1,0,1]=4 2169 B5R0.3 CCC(O)CBr MCULE-4205031860 [1,1,0,0,0,0|1,0,1]=4 2170 B5R0.3 CCC(O)CC MCULE-5553645045 [1,1,0,0,0,0|1,0,1]=4 2171 B5R0.3 CCC(O)CCl MCULE-8359810208 [1,1,0,0,0,0|1,0,1]=4 2172 B5R0.3 CCC(O)CN MCULE-5197026448 [1,1,0,0,0,0|1,0,1]=4 2173 B5R0.3 CCC(O)CO MCULE-2488753438 [1,1,0,0,0,0|0,0,1]=3 2174 B5R0.3 CCC(O)CO MCULE-7297282094 [1,1,0,0,0,0|0,0,1]=3 2175 B5R0.3 CCN(C)C=O MCULE-2308681384 [1,1,0,0,0,0|2,0,0]=4 2176 B5R0.3 CCN(O)CC MCULE-6022935768 [1,1,0,0,0,0|2,0,0]=4 2177 B5R0.3 CCP(=O)CC MCULE-2216184595 [1,1,0,0,0,0|2,0,0]=4 2178 B5R0.3 CCS(=O)CC MCULE-5102735179 [1,1,0,0,0,0|2,0,0]=4 2179 B5R0.3 CC[C@@H](C)CO MCULE-6700783698 [1,1,0,0,0,0|1,0,1]=4 2180 B5R0.3 CC[C@@H](C)CO MCULE-8175790803 [1,1,0,0,0,0|1,0,1]=4 2181 B5R0.3 CC[C@@H](N)CO MCULE-3821348404 [1,1,0,0,0,0|1,0,1]=4 2182 B5R0.3 CC[C@@H](N)CO MCULE-7190248306 [1,1,0,0,0,0|1,0,1]=4 2183 B5R0.3 CC[C@@H](O)CN MCULE-2854535153 [1,1,0,0,0,0|1,0,1]=4 2184 B5R0.3 CC[C@@H](O)CN MCULE-8228547956 [1,1,0,0,0,0|1,0,1]=4 2185 B5R0.3 CC[C@@H](O)CO MCULE-3948477298 [1,1,0,0,0,0|0,0,1]=3 2186 B5R0.3 CC[C@@H](O)CO MCULE-5098109795 [1,1,0,0,0,0|0,0,1]=3 2187 B5R0.3 CC[C@H](C)CO MCULE-1493424061 [1,1,0,0,0,0|1,0,1]=4 2188 B5R0.3 CC[C@H](C)CO MCULE-6879443668 [1,1,0,0,0,0|1,0,1]=4 2189 B5R0.3 CC[C@H](N)CO MCULE-5500083870 [1,1,0,0,0,0|1,0,1]=4 2190 B5R0.3 CC[C@H](N)CO MCULE-6312512384 [1,1,0,0,0,0|1,0,1]=4 2191 B5R0.3 CC[C@H](O)CN MCULE-4385930741 [1,1,0,0,0,0|1,0,1]=4 2192 B5R0.3 CC[C@H](O)CO MCULE-2194264642 [1,1,0,0,0,0|0,0,1]=3 2193 B5R0.3 CC[C@H](O)CO MCULE-5503575962 [1,1,0,0,0,0|0,0,1]=3 2194 B5R0.3 CN(C=O)C=O MCULE-7774435044 [1,1,0,0,0,0|1,0,1]=4 2195 B5R0.3 CNC(=N)CO MCULE-3239749882 [1,1,0,0,0,0|2,0,0]=4 2196 B5R0.3 CNC(=O)CBr MCULE-1439209307 [1,1,0,0,0,0|2,0,0]=4 2197 B5R0.3 CNC(=O)CCl MCULE-1437904095 [1,1,0,0,0,0|2,0,0]=4 2198 B5R0.3 CNC(=O)CI MCULE-1687694185 [1,1,0,0,0,0|2,0,0]=4 2199 B5R0.3 CNC(=O)CN MCULE-1901033297 [1,1,0,0,0,0|2,0,0]=4 2200 B5R0.3 CNC(=O)CN MCULE-8532774234 [1,1,0,0,0,0|2,0,0]=4 2201 B5R0.3 CNC(=O)CO MCULE-5899226107 [1,1,0,0,0,0|1,0,0]=3 2202 B5R0.3 CNC(=O)CS MCULE-7032391129 [1,1,0,0,0,0|1,1,0]=4 2203 B5R0.3 CNC(=O)NC MCULE-5319497155 [1,1,0,0,0,0|2,0,0]=4 2204 B5R0.3 CNC(=O)NN MCULE-2093843774 [1,1,0,0,0,0|2,0,0]=4 2205 B5R0.3 CNC(=O)OC MCULE-1162861376 [1,1,0,0,0,0|1,0,0]=3 2206 B5R0.3 CNC(C)CO MCULE-3841057780 [1,1,0,0,0,0|1,0,1]=4 2207 B5R0.3 CNC(C)CO MCULE-6474892275 [1,1,0,0,0,0|1,0,1]=4 2208 B5R0.3 CN[C@@H](C)CO MCULE-1633741835 [1,1,0,0,0,0|1,0,1]=4 2209 B5R0.3 CN[C@@H](C)CO MCULE-6736108875 [1,1,0,0,0,0|1,0,1]=4 2210 B5R0.3 CN[C@@H](C)CO MCULE-7554801630 [1,1,0,0,0,0|1,0,1]=4 2211 B5R0.3 CN[C@@H](C)CO MCULE-9312521497 [1,1,0,0,0,0|1,0,1]=4 2212 B5R0.3 CN[C@H](C)CO MCULE-2402322400 [1,1,0,0,0,0|1,0,1]=4 2213 B5R0.3 CN[C@H](C)CO MCULE-4362091386 [1,1,0,0,0,0|1,0,1]=4 2214 B5R0.3 CN[C@H](C)CO MCULE-5426855707 [1,1,0,0,0,0|1,0,1]=4 2215 B5R0.3 CN[C@H](C)CO MCULE-9777995604 [1,1,0,0,0,0|1,0,1]=4 2216 B5R0.3 COC(=N)CCl MCULE-2713131753 [1,1,0,0,0,0|2,0,0]=4 2217 B5R0.3 COC(=N)CCl MCULE-6471252676 [1,1,0,0,0,0|2,0,0]=4 2218 B5R0.3 COC(=O)C#N MCULE-8762838190 [1,1,0,0,0,0|1,0,1]=4 2219 B5R0.3 COC(=O)C=O MCULE-2685327079 [1,1,0,0,0,0|0,0,2]=4 2220 B5R0.3 COC(=O)CBr MCULE-2684954408 [1,1,0,0,0,0|1,0,0]=3 2221 B5R0.3 COC(=O)CCl MCULE-5886832940 [1,1,0,0,0,0|1,0,0]=3 2222 B5R0.3 COC(=O)CF MCULE-4367430175 [1,1,0,0,0,0|1,0,0]=3 2223 B5R0.3 COC(=O)CI MCULE-9545584156 [1,1,0,0,0,0|1,0,0]=3 2224 B5R0.3 COC(=O)CN MCULE-7462799100 [1,1,0,0,0,0|1,0,0]=3 2225 B5R0.3 COC(=O)CN MCULE-8887061469 [1,1,0,0,0,0|1,0,0]=3 2226 B5R0.3 COC(=O)CO MCULE-8734582763 [1,1,0,0,0,0|0,0,0]=2 2227 B5R0.3 COC(=O)CS MCULE-3020830180 [1,1,0,0,0,0|0,1,0]=3 2228 B5R0.3 COC(=O)NN MCULE-2637794839 [1,1,0,0,0,0|2,0,0]=4 2229 B5R0.3 COC(=O)OC MCULE-7488725621 [1,1,0,0,0,0|1,0,0]=3 2230 B5R0.3 COC(=O)SCl MCULE-1018411491 [1,1,0,0,0,0|1,1,0]=4 2231 B5R0.3 COC(=S)SC MCULE-7665194168 [1,1,0,0,0,0|1,1,0]=4 2232 B5R0.3 COC(C)C#N MCULE-7716445717 [1,1,0,0,0,0|1,0,1]=4 2233 B5R0.3 COC(C)CBr MCULE-6831960550 [1,1,0,0,0,0|1,0,1]=4 2234 B5R0.3 COC(C)CCl MCULE-6614968111 [1,1,0,0,0,0|1,0,1]=4 2235 B5R0.3 COC(C)CI MCULE-9561627722 [1,1,0,0,0,0|1,0,1]=4 2236 B5R0.3 COC(C)CN MCULE-1378513525 [1,1,0,0,0,0|1,0,1]=4 2237 B5R0.3 COC(C)CN MCULE-6114730248 [1,1,0,0,0,0|1,0,1]=4 2238 B5R0.3 COC(C)CN MCULE-7516064224 [1,1,0,0,0,0|1,0,1]=4 2239 B5R0.3 COC(C)CN MCULE-8277408054 [1,1,0,0,0,0|1,0,1]=4 2240 B5R0.3 COC(C)CO MCULE-5269990702 [1,1,0,0,0,0|0,0,1]=3 2241 B5R0.3 COC(C)CO MCULE-7173093332 [1,1,0,0,0,0|0,0,1]=3 2242 B5R0.3 COC(C)OC MCULE-8241616143 [1,1,0,0,0,0|2,0,0]=4 2243 B5R0.3 CON(C)C=O MCULE-6743121315 [1,1,0,0,0,0|1,0,0]=3 2244 B5R0.3 COS(=O)OC MCULE-9352053920 [1,1,0,0,0,0|2,0,0]=4 2245 B5R0.3 CO[C@@H](C)C#N MCULE-1453263443 [1,1,0,0,0,0|1,0,1]=4 2246 B5R0.3 CO[C@@H](C)CN MCULE-1448950160 [1,1,0,0,0,0|1,0,1]=4 2247 B5R0.3 CO[C@@H](C)CN MCULE-3784073249 [1,1,0,0,0,0|1,0,1]=4 2248 B5R0.3 CO[C@@H](C)CN MCULE-6073633931 [1,1,0,0,0,0|1,0,1]=4 2249 B5R0.3 CO[C@@H](C)CN MCULE-9516756218 [1,1,0,0,0,0|1,0,1]=4 2250 B5R0.3 CO[C@@H](C)CO MCULE-5600457791 [1,1,0,0,0,0|0,0,1]=3 2251 B5R0.3 CO[C@@H](C)CO MCULE-7981152382 [1,1,0,0,0,0|0,0,1]=3 2252 B5R0.3 CO[C@H](C)CN MCULE-4143562009 [1,1,0,0,0,0|1,0,1]=4 2253 B5R0.3 CO[C@H](C)CN MCULE-4184510827 [1,1,0,0,0,0|1,0,1]=4 2254 B5R0.3 CO[C@H](C)CN MCULE-9625722424 [1,1,0,0,0,0|1,0,1]=4 2255 B5R0.3 CO[C@H](C)CN MCULE-9882567615 [1,1,0,0,0,0|1,0,1]=4 2256 B5R0.3 CO[C@H](C)CO MCULE-4211976708 [1,1,0,0,0,0|0,0,1]=3 2257 B5R0.3 CO[C@H](C)CO MCULE-7592020348 [1,1,0,0,0,0|0,0,1]=3 2258 B5R0.3 CS/C(=N/O)/C MCULE-8496912522 [1,1,0,0,0,0|2,0,0]=4 2259 B5R0.3 CSC(=NO)C MCULE-1500524467 [1,1,0,0,0,0|2,0,0]=4 2260 B5R0.3 CSC(=O)SC MCULE-7167992573 [1,1,0,0,0,0|1,1,0]=4 2261 B5R0.3 CSC(C)CO MCULE-4646435737 [1,1,0,0,0,0|0,1,1]=4 2262 B5R0.3 C[C@@H](CN)CO MCULE-4662215148 [1,1,0,0,0,0|1,0,1]=4 2263 B5R0.3 C[C@@H](CN)CO MCULE-7870198689 [1,1,0,0,0,0|1,0,1]=4 2264 B5R0.3 C[C@@H](CO)CBr MCULE-3691541800 [1,1,0,0,0,0|1,0,1]=4 2265 B5R0.3 C[C@@H](CO)CBr MCULE-4447849056 [1,1,0,0,0,0|1,0,1]=4 2266 B5R0.3 C[C@H](CO)CBr MCULE-4031825779 [1,1,0,0,0,0|1,0,1]=4 2267 B5R0.3 C[C@H](CO)CBr MCULE-6846167456 [1,1,0,0,0,0|1,0,1]=4 2268 B5R0.3 N#CC(Br)C=O MCULE-3951653048 [1,1,0,0,0,0|1,0,1]=4 2269 B5R0.3 N#CC(Cl)C=O MCULE-3516957476 [1,1,0,0,0,0|1,0,1]=4 2270 B5R0.3 N/C(=N/O)/CF MCULE-8149459701 [1,1,0,0,0,0|2,0,0]=4 2271 B5R0.3 N/C(=N/O)/CO MCULE-1684161600 [1,1,0,0,0,0|1,0,0]=3 2272 B5R0.3 N/C(=N\O)/CCl MCULE-4486676288 [1,1,0,0,0,0|2,0,0]=4 2273 B5R0.3 NC(CO)CF MCULE-3756808200 [1,1,0,0,0,0|1,0,1]=4 2274 B5R0.3 NC(CO)CF MCULE-9468719402 [1,1,0,0,0,0|1,0,1]=4 2275 B5R0.3 NC(CO)CO MCULE-1559988016 [1,1,0,0,0,0|1,0,1]=4 2276 B5R0.3 NC(CO)CO MCULE-4954119952 [1,1,0,0,0,0|1,0,1]=4 2277 B5R0.3 NCC(=O)CN MCULE-2420991481 [1,1,0,0,0,0|2,0,0]=4 2278 B5R0.3 NCC(=O)CN MCULE-8626789745 [1,1,0,0,0,0|2,0,0]=4 2279 B5R0.3 NCC(=O)NN MCULE-2318099199 [1,1,0,0,0,0|2,0,0]=4 2280 B5R0.3 NCC(=O)NN MCULE-3392354502 [1,1,0,0,0,0|2,0,0]=4 2281 B5R0.3 NCC(=O)NO MCULE-5417617455 [1,1,0,0,0,0|1,0,0]=3 2282 B5R0.3 NCC(F)CO MCULE-6156319956 [1,1,0,0,0,0|1,0,1]=4 2283 B5R0.3 NCC(F)CO MCULE-7472307328 [1,1,0,0,0,0|1,0,1]=4 2284 B5R0.3 NCC(O)CCl MCULE-1566349721 [1,1,0,0,0,0|1,0,1]=4 2285 B5R0.3 NCC(O)CCl MCULE-3532626994 [1,1,0,0,0,0|1,0,1]=4 2286 B5R0.3 NCC(O)CCl MCULE-5045913208 [1,1,0,0,0,0|1,0,1]=4 2287 B5R0.3 NCC(O)CCl MCULE-7168455596 [1,1,0,0,0,0|1,0,1]=4 2288 B5R0.3 NCC(O)CF MCULE-7529777116 [1,1,0,0,0,0|1,0,1]=4 2289 B5R0.3 NCC(O)CF MCULE-8092861019 [1,1,0,0,0,0|1,0,1]=4 2290 B5R0.3 NCC(O)CN MCULE-4689186078 [1,1,0,0,0,0|1,0,1]=4 2291 B5R0.3 NCC(O)CO MCULE-2689763818 [1,1,0,0,0,0|0,0,1]=3 2292 B5R0.3 NCC(O)CO MCULE-6096620010 [1,1,0,0,0,0|0,0,1]=3 2293 B5R0.3 NCC(O)CO MCULE-7307777212 [1,1,0,0,0,0|0,0,1]=3 2294 B5R0.3 NC[C@@H](F)CO MCULE-3273711180 [1,1,0,0,0,0|1,0,1]=4 2295 B5R0.3 NC[C@@H](F)CO MCULE-6673969522 [1,1,0,0,0,0|1,0,1]=4 2296 B5R0.3 NC[C@@H](N)CO MCULE-7333007012 [1,1,0,0,0,0|1,0,1]=4 2297 B5R0.3 NC[C@@H](N)CO MCULE-9200386635 [1,1,0,0,0,0|1,0,1]=4 2298 B5R0.3 NC[C@@H](O)CCl MCULE-1905964392 [1,1,0,0,0,0|1,0,1]=4 2299 B5R0.3 NC[C@@H](O)CCl MCULE-5592096864 [1,1,0,0,0,0|1,0,1]=4 2300 B5R0.3 NC[C@@H](O)CCl MCULE-5723497450 [1,1,0,0,0,0|1,0,1]=4 2301 B5R0.3 NC[C@@H](O)CCl MCULE-7112738263 [1,1,0,0,0,0|1,0,1]=4 2302 B5R0.3 NC[C@@H](O)CO MCULE-7897503444 [1,1,0,0,0,0|0,0,1]=3 2303 B5R0.3 NC[C@@H](O)CO MCULE-8044821624 [1,1,0,0,0,0|0,0,1]=3 2304 B5R0.3 NC[C@@H](O)CO MCULE-9443333756 [1,1,0,0,0,0|0,0,1]=3 2305 B5R0.3 NC[C@H](F)CO MCULE-2595736378 [1,1,0,0,0,0|1,0,1]=4 2306 B5R0.3 NC[C@H](F)CO MCULE-7417074078 [1,1,0,0,0,0|1,0,1]=4 2307 B5R0.3 NC[C@H](F)CO MCULE-7938231499 [1,1,0,0,0,0|1,0,1]=4 2308 B5R0.3 NC[C@H](N)CO MCULE-1060049548 [1,1,0,0,0,0|1,0,1]=4 2309 B5R0.3 NC[C@H](N)CO MCULE-9942356112 [1,1,0,0,0,0|1,0,1]=4 2310 B5R0.3 NC[C@H](O)CBr MCULE-4679771824 [1,1,0,0,0,0|1,0,1]=4 2311 B5R0.3 NC[C@H](O)CBr MCULE-4785059460 [1,1,0,0,0,0|1,0,1]=4 2312 B5R0.3 NC[C@H](O)CCl MCULE-3625478007 [1,1,0,0,0,0|1,0,1]=4 2313 B5R0.3 NC[C@H](O)CCl MCULE-6692503791 [1,1,0,0,0,0|1,0,1]=4 2314 B5R0.3 NC[C@H](O)CO MCULE-5835551322 [1,1,0,0,0,0|0,0,1]=3 2315 B5R0.3 NC[C@H](O)CO MCULE-6021133883 [1,1,0,0,0,0|0,0,1]=3 2316 B5R0.3 NC[C@H](O)CO MCULE-7461568841 [1,1,0,0,0,0|0,0,1]=3 2317 B5R0.3 NC[C@H](O)CO MCULE-8112454132 [1,1,0,0,0,0|0,0,1]=3 2318 B5R0.3 NNC(=O)CCl MCULE-2158347473 [1,1,0,0,0,0|2,0,0]=4 2319 B5R0.3 NNC(=O)CCl MCULE-9762553206 [1,1,0,0,0,0|2,0,0]=4 2320 B5R0.3 NNC(=O)CO MCULE-8443636349 [1,1,0,0,0,0|1,0,0]=3 2321 B5R0.3 NNC(=O)CS MCULE-4913925166 [1,1,0,0,0,0|1,1,0]=4 2322 B5R0.3 NNC(=O)NO MCULE-7106168898 [1,1,0,0,0,0|2,0,0]=4 2323 B5R0.3 N[C@@H](CO)CF MCULE-1103631898 [1,1,0,0,0,0|1,0,1]=4 2324 B5R0.3 N[C@@H](CO)CF MCULE-1137418239 [1,1,0,0,0,0|1,0,1]=4 2325 B5R0.3 N[C@@H](CO)CF MCULE-7452275160 [1,1,0,0,0,0|1,0,1]=4 2326 B5R0.3 N[C@@H](CO)CF MCULE-9154795583 [1,1,0,0,0,0|1,0,1]=4 2327 B5R0.3 N[C@H](CO)CF MCULE-1070351343 [1,1,0,0,0,0|1,0,1]=4 2328 B5R0.3 N[C@H](CO)CF MCULE-4715788718 [1,1,0,0,0,0|1,0,1]=4 2329 B5R0.3 N[C@H](CO)CF MCULE-8220585202 [1,1,0,0,0,0|1,0,1]=4 2330 B5R0.3 N[C@H](CO)CF MCULE-8991857376 [1,1,0,0,0,0|1,0,1]=4 2331 B5R0.3 O=C(CBr)CBr MCULE-5262523719 [1,1,0,0,0,0|2,0,0]=4 2332 B5R0.3 O=C(CCl)CCl MCULE-2048636813 [1,1,0,0,0,0|2,0,0]=4 2333 B5R0.3 O=C(CF)CF MCULE-8790300272 [1,1,0,0,0,0|2,0,0]=4 2334 B5R0.3 O=C(CO)CO MCULE-7188810449 [1,1,0,0,0,0|0,0,0]=2 2335 B5R0.3 O=CC(=CO)Br MCULE-8777401868 [1,1,0,0,0,0|1,0,1]=4 2336 B5R0.3 O=CC(=O)CO MCULE-7273475675 [1,1,0,0,0,0|0,0,1]=3 2337 B5R0.3 O=CC(Br)C=O MCULE-4387864308 [1,1,0,0,0,0|1,0,1]=4 2338 B5R0.3 O=CC(Cl)C=O MCULE-4927811862 [1,1,0,0,0,0|1,0,1]=4 2339 B5R0.3 O=CC(O)CO MCULE-9581740191 [1,1,0,0,0,0|0,0,0]=2 2340 B5R0.3 O=C[C@@H](O)CO MCULE-3883857491 [1,1,0,0,0,0|0,0,0]=2 2341 B5R0.3 O=C[C@@H](O)CO MCULE-7852783182 [1,1,0,0,0,0|0,0,0]=2 2342 B5R0.3 O=C[C@H](O)CO MCULE-4574984840 [1,1,0,0,0,0|0,0,0]=2 2343 B5R0.3 OC(CBr)CBr MCULE-9071238259 [1,1,0,0,0,0|1,0,1]=4 2344 B5R0.3 OC(CCl)CBr MCULE-3844020597 [1,1,0,0,0,0|1,0,1]=4 2345 B5R0.3 OC(CCl)CCl MCULE-7873018520 [1,1,0,0,0,0|1,0,1]=4 2346 B5R0.3 OC(CCl)CI MCULE-3276637880 [1,1,0,0,0,0|1,0,1]=4 2347 B5R0.3 OC(CF)CBr MCULE-3915880352 [1,1,0,0,0,0|1,0,1]=4 2348 B5R0.3 OC(CF)CCl MCULE-6441743377 [1,1,0,0,0,0|1,0,1]=4 2349 B5R0.3 OC(CF)CF MCULE-3360341794 [1,1,0,0,0,0|1,0,1]=4 2350 B5R0.3 OC(CI)CI MCULE-6842895270 [1,1,0,0,0,0|1,0,1]=4 2351 B5R0.3 OCC(Br)CBr MCULE-9616107956 [1,1,0,0,0,0|1,0,1]=4 2352 B5R0.3 OCC(Br)CO MCULE-9272628834 [1,1,0,0,0,0|1,0,1]=4 2353 B5R0.3 OCC(Cl)CCl MCULE-2120585852 [1,1,0,0,0,0|1,0,1]=4 2354 B5R0.3 OCC(Cl)CO MCULE-7487945326 [1,1,0,0,0,0|1,0,1]=4 2355 B5R0.3 OCC(F)CBr MCULE-2889937576 [1,1,0,0,0,0|1,0,1]=4 2356 B5R0.3 OCC(F)CO MCULE-2970537690 [1,1,0,0,0,0|1,0,1]=4 2357 B5R0.3 OCC(O)CBr MCULE-9116190245 [1,1,0,0,0,0|0,0,1]=3 2358 B5R0.3 OCC(O)CCl MCULE-7895191088 [1,1,0,0,0,0|0,0,1]=3 2359 B5R0.3 OCC(O)CCl MCULE-8992242488 [1,1,0,0,0,0|0,0,1]=3 2360 B5R0.3 OCC(O)CF MCULE-3575952891 [1,1,0,0,0,0|0,0,1]=3 2361 B5R0.3 OCC(O)CF MCULE-8981430411 [1,1,0,0,0,0|0,0,1]=3 2362 B5R0.3 OCC(O)CI MCULE-6705992930 [1,1,0,0,0,0|0,0,1]=3 2363 B5R0.3 OCC(O)CO MCULE-6349111826 [1,1,0,0,0,0|0,0,1]=3 2364 B5R0.3 OCC(O)CS MCULE-6300188207 [1,1,0,0,0,0|0,0,1]=3 2365 B5R0.3 OCC(S)CS MCULE-9735516119 [1,1,0,0,0,0|0,1,1]=4 2366 B5R0.3 OC[C@@H](O)CCl MCULE-1311776512 [1,1,0,0,0,0|0,0,1]=3 2367 B5R0.3 OC[C@@H](O)CCl MCULE-2685107404 [1,1,0,0,0,0|0,0,1]=3 2368 B5R0.3 OC[C@@H](O)CF MCULE-3274443966 [1,1,0,0,0,0|0,0,1]=3 2369 B5R0.3 OC[C@@H](O)CF MCULE-5908395855 [1,1,0,0,0,0|0,0,1]=3 2370 B5R0.3 OC[C@H](O)CBr MCULE-5035020863 [1,1,0,0,0,0|0,0,1]=3 2371 B5R0.3 OC[C@H](O)CCl MCULE-2098232262 [1,1,0,0,0,0|0,0,1]=3 2372 B5R0.3 OC[C@H](O)CCl MCULE-5801605349 [1,1,0,0,0,0|0,0,1]=3 2373 B5R0.3 OC[C@H](O)CF MCULE-3309672397 [1,1,0,0,0,0|0,0,1]=3 2374 B5R0.3 OC[C@H](O)CF MCULE-7695783253 [1,1,0,0,0,0|0,0,1]=3 2375 B5R0.3 O[C@@H](CCl)CI MCULE-5324720097 [1,1,0,0,0,0|1,0,1]=4 2376 B5R0.3 O[C@H](CCl)CI MCULE-2790157830 [1,1,0,0,0,0|1,0,1]=4 2377 B5R0.3 P(=O)(OC)OC MCULE-7918891029 [1,1,0,0,0,0|2,0,0]=4 2378 B5R0.3 [C@H](O)(CN)CCl MCULE-1220791610 [1,1,0,0,0,0|1,0,1]=4 2379 B5R0.3 [C@H](O)(CN)CCl MCULE-4106901858 [1,1,0,0,0,0|1,0,1]=4 2380 B5R0.4 C#CC(C)(C)O MCULE-7045265182 [1,1,0,0,0,0|1,0,1]=4 2381 B5R0.4 C=CC(C)(C)C MCULE-9118431864 [1,1,0,0,0,0|2,0,0]=4 2382 B5R0.4 C=CC(C)(C)Cl MCULE-4502558407 [1,1,0,0,0,0|2,0,0]=4 2383 B5R0.4 C=CC(C)(C)N MCULE-2016559865 [1,1,0,0,0,0|2,0,0]=4 2384 B5R0.4 C=CC(C)(C)N MCULE-2690537002 [1,1,0,0,0,0|2,0,0]=4 2385 B5R0.4 C=CC(C)(C)O MCULE-5809739830 [1,1,0,0,0,0|1,0,0]=3 2386 B5R0.4 C=CC(C)(Cl)Cl MCULE-7431364327 [1,1,0,0,0,0|2,0,0]=4 2387 B5R0.4 CC(C)(Br)C=O MCULE-8695321251 [1,1,0,0,0,0|1,0,0]=3 2388 B5R0.4 CC(C)(Br)CO MCULE-5949221311 [1,1,0,0,0,0|1,0,1]=4 2389 B5R0.4 CC(C)(C)C=O MCULE-6866358966 [1,1,0,0,0,0|1,0,0]=3 2390 B5R0.4 CC(C)(C)CO MCULE-4399535684 [1,1,0,0,0,0|1,0,1]=4 2391 B5R0.4 CC(C)(C)N=O MCULE-9098145731 [1,1,0,0,0,0|2,0,0]=4 2392 B5R0.4 CC(C)(C)NO MCULE-4676405280 [1,1,0,0,0,0|2,0,0]=4 2393 B5R0.4 CC(C)(C)NO MCULE-6482556352 [1,1,0,0,0,0|2,0,0]=4 2394 B5R0.4 CC(C)(C)NO MCULE-7368313644 [1,1,0,0,0,0|2,0,0]=4 2395 B5R0.4 CC(C)(C)OO MCULE-2835127745 [1,1,0,0,0,0|2,0,0]=4 2396 B5R0.4 CC(C)(F)C=O MCULE-4323838362 [1,1,0,0,0,0|1,0,0]=3 2397 B5R0.4 CC(C)(F)CO MCULE-1700621997 [1,1,0,0,0,0|1,0,1]=4 2398 B5R0.4 CC(C)(N)CO MCULE-4072416202 [1,1,0,0,0,0|1,0,1]=4 2399 B5R0.4 CC(C)(N)CO MCULE-4209651459 [1,1,0,0,0,0|1,0,1]=4 2400 B5R0.4 CC(C)(N)CO MCULE-6047079177 [1,1,0,0,0,0|1,0,1]=4 2401 B5R0.4 CC(C)(O)C#N MCULE-7494613383 [1,1,0,0,0,0|1,0,1]=4 2402 B5R0.4 CC(C)(O)C=O MCULE-2581637282 [1,1,0,0,0,0|0,0,0]=2 2403 B5R0.4 CC(C)(O)CBr MCULE-6366129174 [1,1,0,0,0,0|1,0,1]=4 2404 B5R0.4 CC(C)(O)CCl MCULE-3118028441 [1,1,0,0,0,0|1,0,1]=4 2405 B5R0.4 CC(C)(O)CF MCULE-6616447132 [1,1,0,0,0,0|1,0,1]=4 2406 B5R0.4 CC(C)(O)CI MCULE-5132198363 [1,1,0,0,0,0|1,0,1]=4 2407 B5R0.4 CC(C)(O)CN MCULE-5270413077 [1,1,0,0,0,0|1,0,1]=4 2408 B5R0.4 CC(C)(O)CN MCULE-7438555366 [1,1,0,0,0,0|1,0,1]=4 2409 B5R0.4 CC(C)(O)CO MCULE-6797456030 [1,1,0,0,0,0|0,0,1]=3 2410 B5R0.4 CC(C)(O)CS MCULE-2370088388 [1,1,0,0,0,0|0,1,1]=4 2411 B5R0.4 CC(C)(S)CO MCULE-6119329508 [1,1,0,0,0,0|0,1,1]=4 2412 B5R0.4 CC(F)(F)CO MCULE-1049181656 [1,1,0,0,0,0|1,0,1]=4 2413 B5R0.4 CCC(C)(C)O MCULE-7894262803 [1,1,0,0,0,0|1,0,1]=4 2414 B5R0.4 CCP(=O)(Cl)Cl MCULE-3811520604 [1,1,0,0,0,0|2,0,0]=4 2415 B5R0.4 CCP(=O)(O)O MCULE-5185791919 [1,1,0,0,0,0|1,0,0]=3 2416 B5R0.4 CCS(=N)(=O)C MCULE-6682726319 [1,1,0,0,0,0|2,0,0]=4 2417 B5R0.4 CCS(=O)(=O)C MCULE-8932195925 [1,1,0,0,0,0|1,0,1]=4 2418 B5R0.4 CCS(=O)(=O)Cl MCULE-4280260185 [1,1,0,0,0,0|1,0,1]=4 2419 B5R0.4 CCS(=O)(=O)F MCULE-9460711277 [1,1,0,0,0,0|1,0,1]=4 2420 B5R0.4 CCS(=O)(=O)N MCULE-4542844597 [1,1,0,0,0,0|1,0,1]=4 2421 B5R0.4 CCS(=O)(=O)O MCULE-4408374633 [1,1,0,0,0,0|1,0,0]=3 2422 B5R0.4 CCS(=O)(=S)O MCULE-3229359913 [1,1,0,0,0,0|1,0,0]=3 2423 B5R0.4 CCS(=O)(=S)[O-] MCULE-8602343929 [1,1,0,0,0,0|1,0,1]=4 2424 B5R0.4 CNS(=O)(=O)O MCULE-7257326709 [1,1,0,0,0,0|2,0,0]=4 2425 B5R0.4 COP(=O)(O)O MCULE-8832075019 [1,1,0,0,0,0|2,0,0]=4 2426 B5R0.4 COS(=O)(=O)O MCULE-7245694496 [1,1,0,0,0,0|2,0,0]=4 2427 B5R0.4 NCP(=O)(O)O MCULE-5036947233 [1,1,0,0,0,0|2,0,0]=4 2428 B5R0.4 NCS(=O)(=O)O MCULE-2178285528 [1,1,0,0,0,0|2,0,0]=4 2429 B5R0.4 O=CC(Br)(Br)Br MCULE-5990521436 [1,1,0,0,0,0|2,0,0]=4 2430 B5R0.4 O=CC(Cl)(Cl)Cl MCULE-5840193226 [1,1,0,0,0,0|2,0,0]=4 2431 B5R0.4 O=CC(F)(F)F MCULE-4938131324 [1,1,0,0,0,0|2,0,0]=4 2432 B5R0.4 O=P(O)(O)CCl MCULE-3749129481 [1,1,0,0,0,0|2,0,0]=4 2433 B5R0.4 O=P(O)(O)CO MCULE-9997097349 [1,1,0,0,0,0|1,0,0]=3 2434 B5R0.4 O=S(=O)(O)CBr MCULE-7461723318 [1,1,0,0,0,0|2,0,0]=4 2435 B5R0.4 O=S(=O)(O)CCl MCULE-4274838804 [1,1,0,0,0,0|2,0,0]=4 2436 B5R0.4 O=S(=O)(O)CO MCULE-9647441782 [1,1,0,0,0,0|1,0,0]=3 2437 B5R0.4 O=S(=O)([O-])CO MCULE-5488503909 [1,1,0,0,0,0|1,0,1]=4 2438 B7R0.2 C#CC(=O)OC(C)C MCULE-2260869211 [0,1,0,0,0,1|2,0,0]=4 2439 B7R0.2 C#CC(C)CC(=O)O MCULE-8780802803 [0,1,0,0,0,1|1,0,0]=3 2440 B7R0.2 C(O)(CN)CC(=O)O MCULE-8378388788 [0,1,0,0,0,1|0,0,0]=2 2441 B7R0.2 C/C(=N\O)/CC(C)C MCULE-1223937315 [0,1,0,0,0,1|2,0,0]=4 2442 B7R0.2 C=CC(=O)CC(C)C MCULE-2912404970 [0,1,0,0,0,1|2,0,0]=4 2443 B7R0.2 C=CC(=O)NC(C)C MCULE-1145721543 [0,1,0,0,0,1|2,0,0]=4 2444 B7R0.2 C=CC(=O)OC(C)C MCULE-8852781082 [0,1,0,0,0,1|2,0,0]=4 2445 B7R0.2 C=CC(C)CC(=O)O MCULE-4817084034 [0,1,0,0,0,1|1,0,0]=3 2446 B7R0.2 C=CC(C)OC(=O)C MCULE-9221300039 [0,1,0,0,0,1|2,0,0]=4 2447 B7R0.2 C=CC(N)CC(=O)O MCULE-1733618438 [0,1,0,0,0,1|1,0,1]=4 2448 B7R0.2 C=CC(N)CC(=O)O MCULE-9636299966 [0,1,0,0,0,1|1,0,1]=4 2449 B7R0.2 C=CC(O)CC(=O)O MCULE-2383393271 [0,1,0,0,0,1|0,0,1]=3 2450 B7R0.2 CC(=CC(=O)O)C=O MCULE-7652207149 [0,1,0,0,0,1|0,0,2]=4 2451 B7R0.2 CC(=NO)CC(C)C MCULE-1446840557 [0,1,0,0,0,1|2,0,0]=4 2452 B7R0.2 CC(=O)NC(C)CN MCULE-4226474809 [0,1,0,0,0,1|2,0,0]=4 2453 B7R0.2 CC(=O)NC(C)CN MCULE-7570690280 [0,1,0,0,0,1|2,0,0]=4 2454 B7R0.2 CC(=O)NC(C)CO MCULE-9455210462 [0,1,0,0,0,1|1,0,0]=3 2455 B7R0.2 CC(=O)N[C@H](C)CO MCULE-2174899443 [0,1,0,0,0,1|1,0,0]=3 2456 B7R0.2 CC(=O)N[C@H](C)CO MCULE-5097293473 [0,1,0,0,0,1|1,0,0]=3 2457 B7R0.2 CC(=O)OC(Br)CBr MCULE-7215936142 [0,1,0,0,0,1|2,0,0]=4 2458 B7R0.2 CC(C#N)NC(=O)N MCULE-6628848826 [0,1,0,0,0,1|2,0,0]=4 2459 B7R0.2 CC(C)/C=C(\F)/CO MCULE-5089231546 [0,1,0,0,0,1|2,0,0]=4 2460 B7R0.2 CC(C)C/C(=N/O)/N MCULE-1815154611 [0,1,0,0,0,1|2,0,0]=4 2461 B7R0.2 CC(C)CC(=O)C#N MCULE-7628756423 [0,1,0,0,0,1|2,0,0]=4 2462 B7R0.2 CC(C)CC(=O)CBr MCULE-3556695745 [0,1,0,0,0,1|2,0,0]=4 2463 B7R0.2 CC(C)CC(=O)CCl MCULE-6858533367 [0,1,0,0,0,1|2,0,0]=4 2464 B7R0.2 CC(C)CC(=O)CN MCULE-2435223768 [0,1,0,0,0,1|2,0,0]=4 2465 B7R0.2 CC(C)CC(=O)CN MCULE-7131454463 [0,1,0,0,0,1|2,0,0]=4 2466 B7R0.2 CC(C)CC(=O)NN MCULE-7719387931 [0,1,0,0,0,1|2,0,0]=4 2467 B7R0.2 CC(C)NC(=O)CBr MCULE-1272363222 [0,1,0,0,0,1|2,0,0]=4 2468 B7R0.2 CC(C)NC(=O)CCl MCULE-8342964960 [0,1,0,0,0,1|2,0,0]=4 2469 B7R0.2 CC(C)NC(=O)CI MCULE-8316056040 [0,1,0,0,0,1|2,0,0]=4 2470 B7R0.2 CC(C)NC(=O)CN MCULE-7188824856 [0,1,0,0,0,1|2,0,0]=4 2471 B7R0.2 CC(C)NC(=O)CN MCULE-8867435369 [0,1,0,0,0,1|2,0,0]=4 2472 B7R0.2 CC(C)NC(=O)CO MCULE-5386700783 [0,1,0,0,0,1|1,0,0]=3 2473 B7R0.2 CC(C)OC(=O)CBr MCULE-1610339208 [0,1,0,0,0,1|2,0,0]=4 2474 B7R0.2 CC(C)OC(=O)CCl MCULE-3017211046 [0,1,0,0,0,1|2,0,0]=4 2475 B7R0.2 CC(C)OC(=O)CN MCULE-4475626262 [0,1,0,0,0,1|2,0,0]=4 2476 B7R0.2 CC(C)OC(=O)CN MCULE-5696337645 [0,1,0,0,0,1|2,0,0]=4 2477 B7R0.2 CC(C)OC(=O)CO MCULE-4694316703 [0,1,0,0,0,1|1,0,0]=3 2478 B7R0.2 CC(C)OC(=O)CS MCULE-5298940210 [0,1,0,0,0,1|1,1,0]=4 2479 B7R0.2 CC(C)OC(=O)NN MCULE-5311288998 [0,1,0,0,0,1|2,0,0]=4 2480 B7R0.2 CC(CC(=O)O)NN MCULE-2614719429 [0,1,0,0,0,1|1,0,0]=3 2481 B7R0.2 CC(CC(=O)O)NN MCULE-2739806820 [0,1,0,0,0,1|1,0,0]=3 2482 B7R0.2 CC(CCl)CC(=O)Cl MCULE-3163826919 [0,1,0,0,0,1|2,0,0]=4 2483 B7R0.2 CC(CCl)OC(=O)N MCULE-7734729292 [0,1,0,0,0,1|2,0,0]=4 2484 B7R0.2 CC(CN)CC(=O)O MCULE-1594242184 [0,1,0,0,0,1|1,0,0]=3 2485 B7R0.2 CC(CN)CC(=O)O MCULE-8074816359 [0,1,0,0,0,1|1,0,0]=3 2486 B7R0.2 CC(O)CC(=O)NN MCULE-2521784411 [0,1,0,0,0,1|1,0,0]=3 2487 B7R0.2 CCC(=CC(=O)O)C MCULE-3864767099 [0,1,0,0,0,1|1,0,1]=4 2488 B7R0.2 CCC(=O)CC(=O)O MCULE-1083768149 [0,1,0,0,0,1|0,0,2]=4 2489 B7R0.2 CCC(=O)CC(C)C MCULE-8378320990 [0,1,0,0,0,1|2,0,0]=4 2490 B7R0.2 CCC(=O)NC(C)C MCULE-3565002235 [0,1,0,0,0,1|2,0,0]=4 2491 B7R0.2 CCC(=O)OC(C)C MCULE-6546381101 [0,1,0,0,0,1|2,0,0]=4 2492 B7R0.2 CCC(C)CC(=O)C MCULE-5801548800 [0,1,0,0,0,1|2,0,0]=4 2493 B7R0.2 CCC(C)CC(=O)Cl MCULE-3063561496 [0,1,0,0,0,1|2,0,0]=4 2494 B7R0.2 CCC(C)CC(=O)O MCULE-3409782202 [0,1,0,0,0,1|1,0,0]=3 2495 B7R0.2 CCC(C)CC(=O)O MCULE-6537278030 [0,1,0,0,0,1|1,0,0]=3 2496 B7R0.2 CCC(C)NC(=O)N MCULE-6186330882 [0,1,0,0,0,1|2,0,0]=4 2497 B7R0.2 CCC(C)OC(=O)C MCULE-8410375215 [0,1,0,0,0,1|2,0,0]=4 2498 B7R0.2 CCC(C)OC(=O)Cl MCULE-1512790698 [0,1,0,0,0,1|2,0,0]=4 2499 B7R0.2 CCC(C)SC(=O)Cl MCULE-4681925921 [0,1,0,0,0,1|2,0,0]=4 2500 B7R0.2 CCC(N)CC(=O)O MCULE-1744910444 [0,1,0,0,0,1|1,0,0]=3 2501 B7R0.2 CCC(N)CC(=O)O MCULE-5610499925 [0,1,0,0,0,1|1,0,0]=3 2502 B7R0.2 CCC(O)CC(=O)C MCULE-1222748729 [0,1,0,0,0,1|1,0,0]=3 2503 B7R0.2 CCC(O)CC(=O)O MCULE-4663578527 [0,1,0,0,0,1|0,0,0]=2 2504 B7R0.2 CCC(O)CC(C)O MCULE-3115543235 [0,1,0,0,0,1|1,0,1]=4 2505 B7R0.2 CCC(O)CN(=O)=O MCULE-6965491054 [0,1,0,0,0,1|1,0,1]=4 2506 B7R0.2 CCN(C)CC(=O)O MCULE-3102395413 [0,1,0,0,0,1|2,0,0]=4 2507 B7R0.2 CCS(=O)CC(=O)O MCULE-5648298475 [0,1,0,0,0,1|1,0,1]=4 2508 B7R0.2 CC[C@@H](C)CC(=O)O MCULE-5550070887 [0,1,0,0,0,1|1,0,0]=3 2509 B7R0.2 CC[C@@H](C)CC(=O)O MCULE-9572363620 [0,1,0,0,0,1|1,0,0]=3 2510 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-1158271004 [0,1,0,0,0,1|1,0,0]=3 2511 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-2354820947 [0,1,0,0,0,1|1,0,0]=3 2512 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-4284161835 [0,1,0,0,0,1|1,0,0]=3 2513 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-9523089766 [0,1,0,0,0,1|1,0,0]=3 2514 B7R0.2 CC[C@H](C)CC(=O)O MCULE-4177365854 [0,1,0,0,0,1|1,0,0]=3 2515 B7R0.2 CC[C@H](C)CC(=O)O MCULE-5173108207 [0,1,0,0,0,1|1,0,0]=3 2516 B7R0.2 CC[C@H](N)CC(=O)O MCULE-1463536674 [0,1,0,0,0,1|1,0,0]=3 2517 B7R0.2 CC[C@H](N)CC(=O)O MCULE-2865599647 [0,1,0,0,0,1|1,0,0]=3 2518 B7R0.2 CC[C@H](N)CC(=O)O MCULE-4506847599 [0,1,0,0,0,1|1,0,0]=3 2519 B7R0.2 CC[C@H](N)CC(=O)O MCULE-4819674539 [0,1,0,0,0,1|1,0,0]=3 2520 B7R0.2 CN(C=O)CC(=O)O MCULE-2679649056 [0,1,0,0,0,1|1,0,1]=4 2521 B7R0.2 CN(CC(=O)O)N=O MCULE-5473244336 [0,1,0,0,0,1|1,0,1]=4 2522 B7R0.2 CNC(=O)CC(=O)O MCULE-3506871336 [0,1,0,0,0,1|0,0,2]=4 2523 B7R0.2 CNC(=O)CC(C)C MCULE-2303112628 [0,1,0,0,0,1|2,0,0]=4 2524 B7R0.2 CNC(=O)CC(C)N MCULE-7773306348 [0,1,0,0,0,1|2,0,0]=4 2525 B7R0.2 CNC(=O)CC(C)N MCULE-8658175271 [0,1,0,0,0,1|2,0,0]=4 2526 B7R0.2 CNC(C)CC(=O)N MCULE-1474658720 [0,1,0,0,0,1|2,0,0]=4 2527 B7R0.2 CNC(C)CC(=O)N MCULE-4481385519 [0,1,0,0,0,1|2,0,0]=4 2528 B7R0.2 CNC(C)CC(=O)O MCULE-6592893730 [0,1,0,0,0,1|1,0,0]=3 2529 B7R0.2 CNC(C)CC(=O)O MCULE-7655437452 [0,1,0,0,0,1|1,0,0]=3 2530 B7R0.2 CO/C(=C/C(=O)O)/C MCULE-5031076713 [0,1,0,0,0,1|0,0,1]=3 2531 B7R0.2 COC(=CC(=O)C)C MCULE-1939113485 [0,1,0,0,0,1|1,0,1]=4 2532 B7R0.2 COC(=CC(=O)O)C MCULE-2215306459 [0,1,0,0,0,1|0,0,1]=3 2533 B7R0.2 COC(=N)CC(C)C MCULE-4603041381 [0,1,0,0,0,1|2,0,0]=4 2534 B7R0.2 COC(=N)CC(C)C MCULE-5838686710 [0,1,0,0,0,1|2,0,0]=4 2535 B7R0.2 COC(=O)/C=C(/C)\N MCULE-2378404457 [0,1,0,0,0,1|1,0,1]=4 2536 B7R0.2 COC(=O)/C=C(\C)/N MCULE-7223502425 [0,1,0,0,0,1|1,0,1]=4 2537 B7R0.2 COC(=O)C=C(C)C MCULE-9357284649 [0,1,0,0,0,1|1,0,1]=4 2538 B7R0.2 COC(=O)C=C(C)N MCULE-8452012306 [0,1,0,0,0,1|1,0,1]=4 2539 B7R0.2 COC(=O)C=C(C)[O-] MCULE-2706789496 [0,1,0,0,0,1|0,0,2]=4 2540 B7R0.2 COC(=O)C=C(C)[O-] MCULE-4482386969 [0,1,0,0,0,1|0,0,2]=4 2541 B7R0.2 COC(=O)CC(=O)C MCULE-1265364784 [0,1,0,0,0,1|0,0,2]=4 2542 B7R0.2 COC(=O)CC(=O)O MCULE-7983457925 [0,1,0,0,0,1|0,0,2]=4 2543 B7R0.2 COC(=O)CC(C)Br MCULE-4193147778 [0,1,0,0,0,1|1,0,0]=3 2544 B7R0.2 COC(=O)CC(C)C MCULE-2808202854 [0,1,0,0,0,1|1,0,0]=3 2545 B7R0.2 COC(=O)CC(C)Cl MCULE-2734734940 [0,1,0,0,0,1|1,0,0]=3 2546 B7R0.2 COC(=O)CC(C)N MCULE-2402304310 [0,1,0,0,0,1|1,0,0]=3 2547 B7R0.2 COC(=O)CC(C)N MCULE-3520358398 [0,1,0,0,0,1|1,0,0]=3 2548 B7R0.2 COC(=O)CC(C)N MCULE-4044567169 [0,1,0,0,0,1|1,0,0]=3 2549 B7R0.2 COC(=O)CC(C)N MCULE-5962991844 [0,1,0,0,0,1|1,0,0]=3 2550 B7R0.2 COC(=O)CC(C)O MCULE-7542131760 [0,1,0,0,0,1|0,0,0]=2 2551 B7R0.2 COC(=O)CC(C)O MCULE-7559608260 [0,1,0,0,0,1|0,0,0]=2 2552 B7R0.2 COC(=O)CC(C)S MCULE-8423856471 [0,1,0,0,0,1|0,1,0]=3 2553 B7R0.2 COC(=O)CN(C)C MCULE-2035644817 [0,1,0,0,0,1|2,0,0]=4 2554 B7R0.2 COC(=O)CN(C)C MCULE-2356820620 [0,1,0,0,0,1|2,0,0]=4 2555 B7R0.2 COC(=O)CS(=O)C MCULE-6286293391 [0,1,0,0,0,1|1,0,1]=4 2556 B7R0.2 COC(=O)C[C@@H](C)N MCULE-1483636974 [0,1,0,0,0,1|1,0,0]=3 2557 B7R0.2 COC(=O)C[C@@H](C)N MCULE-4260923997 [0,1,0,0,0,1|1,0,0]=3 2558 B7R0.2 COC(=O)C[C@@H](C)N MCULE-6569883717 [0,1,0,0,0,1|1,0,0]=3 2559 B7R0.2 COC(=O)C[C@@H](C)N MCULE-9853158708 [0,1,0,0,0,1|1,0,0]=3 2560 B7R0.2 COC(=O)C[C@@H](C)O MCULE-1647366037 [0,1,0,0,0,1|0,0,0]=2 2561 B7R0.2 COC(=O)C[C@@H](C)O MCULE-7832771936 [0,1,0,0,0,1|0,0,0]=2 2562 B7R0.2 COC(=O)C[C@H](C)N MCULE-1385999778 [0,1,0,0,0,1|1,0,0]=3 2563 B7R0.2 COC(=O)C[C@H](C)N MCULE-1446150641 [0,1,0,0,0,1|1,0,0]=3 2564 B7R0.2 COC(=O)C[C@H](C)N MCULE-2979603570 [0,1,0,0,0,1|1,0,0]=3 2565 B7R0.2 COC(=O)C[C@H](C)N MCULE-7679126750 [0,1,0,0,0,1|1,0,0]=3 2566 B7R0.2 COC(=O)C[C@H](C)O MCULE-5154734951 [0,1,0,0,0,1|0,0,0]=2 2567 B7R0.2 COC(=O)C[C@H](C)O MCULE-7031738180 [0,1,0,0,0,1|0,0,0]=2 2568 B7R0.2 COC(=O)NC(C)C MCULE-4552685948 [0,1,0,0,0,1|1,0,0]=3 2569 B7R0.2 COC(=O)OC(C)C MCULE-4462394604 [0,1,0,0,0,1|1,0,0]=3 2570 B7R0.2 COC(=O)SC(C)C MCULE-9908884347 [0,1,0,0,0,1|1,0,0]=3 2571 B7R0.2 COC(C)CC(=O)O MCULE-7063015720 [0,1,0,0,0,1|0,0,0]=2 2572 B7R0.2 COC(C)CC(C)O MCULE-3635789827 [0,1,0,0,0,1|1,0,1]=4 2573 B7R0.2 CSC(=O)CC(C)C MCULE-5433173038 [0,1,0,0,0,1|1,1,0]=4 2574 B7R0.2 CSC(C)CC(=O)O MCULE-7827833531 [0,1,0,0,0,1|0,1,0]=3 2575 B7R0.2 C[C@H](CN)CC(=O)O MCULE-4808630217 [0,1,0,0,0,1|1,0,0]=3 2576 B7R0.2 C[C@H](CN)CC(=O)O MCULE-5474405940 [0,1,0,0,0,1|1,0,0]=3 2577 B7R0.2 N/C(=N/O)/CC(=O)O MCULE-5236282846 [0,1,0,0,0,1|1,0,1]=4 2578 B7R0.2 NC(CO)CC(=O)O MCULE-4749383822 [0,1,0,0,0,1|1,0,0]=3 2579 B7R0.2 NC(CO)CC(=O)O MCULE-7973334774 [0,1,0,0,0,1|1,0,0]=3 2580 B7R0.2 NC(CO)CC(=O)O MCULE-8406665261 [0,1,0,0,0,1|1,0,0]=3 2581 B7R0.2 NCC(N)CC(=O)O MCULE-5523883615 [0,1,0,0,0,1|1,0,0]=3 2582 B7R0.2 NCC(N)CC(=O)O MCULE-7594259237 [0,1,0,0,0,1|1,0,0]=3 2583 B7R0.2 NCC(O)CC(=O)O MCULE-9221352157 [0,1,0,0,0,1|0,0,0]=2 2584 B7R0.2 NC[C@@H](F)CP(=O)O MCULE-6916648546 [0,1,0,0,0,1|2,0,0]=4 2585 B7R0.2 NC[C@@H](F)CP(=O)O MCULE-8505911927 [0,1,0,0,0,1|2,0,0]=4 2586 B7R0.2 NC[C@@H](N)CC(=O)O MCULE-6348974465 [0,1,0,0,0,1|1,0,0]=3 2587 B7R0.2 NC[C@@H](N)CC(=O)O MCULE-9397628218 [0,1,0,0,0,1|1,0,0]=3 2588 B7R0.2 NC[C@@H](O)CC(=O)O MCULE-2174350055 [0,1,0,0,0,1|0,0,0]=2 2589 B7R0.2 NC[C@@H](O)CC(=O)O MCULE-8177708130 [0,1,0,0,0,1|0,0,0]=2 2590 B7R0.2 NC[C@H](N)CC(=O)O MCULE-6133569516 [0,1,0,0,0,1|1,0,0]=3 2591 B7R0.2 NC[C@H](N)CC(=O)O MCULE-7098533469 [0,1,0,0,0,1|1,0,0]=3 2592 B7R0.2 NC[C@H](O)CC(=O)O MCULE-6634973995 [0,1,0,0,0,1|0,0,0]=2 2593 B7R0.2 NC[C@H](O)CC(=O)O MCULE-8055679819 [0,1,0,0,0,1|0,0,0]=2 2594 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-1773927420 [0,1,0,0,0,1|1,0,0]=3 2595 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-2797951743 [0,1,0,0,0,1|1,0,0]=3 2596 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-3839766977 [0,1,0,0,0,1|1,0,0]=3 2597 B7R0.2 N[C@H](CO)CC(=O)O MCULE-4130106630 [0,1,0,0,0,1|1,0,0]=3 2598 B7R0.2 O=C(O)CC(=O)CCl MCULE-9671015150 [0,1,0,0,0,1|0,0,2]=4 2599 B7R0.2 O=C(O)CC(=O)CO MCULE-2224143705 [0,1,0,0,0,1|0,0,2]=4 2600 B7R0.2 O=C(O)CC(O)CO MCULE-2851149196 [0,1,0,0,0,1|0,0,0]=2 2601 B7R0.2 O=C(O)C[C@H](O)CO MCULE-5671818548 [0,1,0,0,0,1|0,0,0]=2 2602 B7R0.2 O=C([O-])CC(O)CO MCULE-5202762172 [0,1,0,0,0,1|0,0,1]=3 2603 B7R0.2 O=C([O-])CC(O)CO MCULE-6219855770 [0,1,0,0,0,1|0,0,1]=3 2604 B7R0.2 O=CN(O)CC(=O)O MCULE-7408790227 [0,1,0,0,0,1|1,0,1]=4 2605 B7R0.2 [C@@H](F)(CN)CP(=O)O MCULE-9369150023 [0,1,0,0,0,1|2,0,0]=4 2606 B7R0.2 [NH3+][C@H](CO)CC(=O)[O-] MCULE-5131942851 [0,1,0,0,0,1|1,0,1]=4 2607 B7R0.9 CC(=O)CC(C)(C)C MCULE-5477546626 [0,1,0,0,0,1|2,0,0]=4 2608 B7R0.9 CC(=O)CC(C)(C)Cl MCULE-5981575591 [0,1,0,0,0,1|2,0,0]=4 2609 B7R0.9 CC(=O)CC(C)(C)N MCULE-1511988439 [0,1,0,0,0,1|2,0,0]=4 2610 B7R0.9 CC(=O)CC(C)(C)N MCULE-7807079460 [0,1,0,0,0,1|2,0,0]=4 2611 B7R0.9 CC(=O)CC(C)(C)N MCULE-8677016157 [0,1,0,0,0,1|2,0,0]=4 2612 B7R0.9 CC(=O)CC(C)(C)O MCULE-2623560163 [0,1,0,0,0,1|1,0,0]=3 2613 B7R0.9 CC(=O)CC(C)(C)S MCULE-8901285593 [0,1,0,0,0,1|1,1,0]=4 2614 B7R0.9 CC(=O)NC(C)(C)C MCULE-7590749185 [0,1,0,0,0,1|2,0,0]=4 2615 B7R0.9 CC(=O)OC(C)(C)C MCULE-4713236745 [0,1,0,0,0,1|2,0,0]=4 2616 B7R0.9 CC(=O)SC(C)(C)C MCULE-7111846167 [0,1,0,0,0,1|2,0,0]=4 2617 B7R0.9 CC(C)(Br)CC(=O)O MCULE-2452885576 [0,1,0,0,0,1|1,0,0]=3 2618 B7R0.9 CC(C)(C)CC(=O)Cl MCULE-6018997465 [0,1,0,0,0,1|2,0,0]=4 2619 B7R0.9 CC(C)(C)CC(=O)N MCULE-5884141657 [0,1,0,0,0,1|2,0,0]=4 2620 B7R0.9 CC(C)(C)CC(=O)O MCULE-8746589287 [0,1,0,0,0,1|1,0,0]=3 2621 B7R0.9 CC(C)(C)NC(=O)N MCULE-7867571542 [0,1,0,0,0,1|2,0,0]=4 2622 B7R0.9 CC(C)(C)OC(=O)N MCULE-8089044173 [0,1,0,0,0,1|2,0,0]=4 2623 B7R0.9 CC(C)(C)SC(=O)Cl MCULE-5079482641 [0,1,0,0,0,1|2,0,0]=4 2624 B7R0.9 CC(C)(N)CC(=O)N MCULE-8203649114 [0,1,0,0,0,1|2,0,0]=4 2625 B7R0.9 CC(C)(N)CC(=O)N MCULE-9031143786 [0,1,0,0,0,1|2,0,0]=4 2626 B7R0.9 CC(C)(N)CC(=O)O MCULE-1798345695 [0,1,0,0,0,1|1,0,0]=3 2627 B7R0.9 CC(C)(N)CC(=O)O MCULE-4385513857 [0,1,0,0,0,1|1,0,0]=3 2628 B7R0.9 CC(C)(N)CC(=O)O MCULE-7160776320 [0,1,0,0,0,1|1,0,0]=3 2629 B7R0.9 CC(C)(O)CC(=O)O MCULE-3649642958 [0,1,0,0,0,1|0,0,0]=2 2630 B7R0.9 CC(C)(O)CN(=O)=O MCULE-5099028458 [0,1,0,0,0,1|1,0,1]=4 2631 B7R0.9 CC(C)(S)CC(=O)O MCULE-6501202267 [0,1,0,0,0,1|0,1,0]=3 2632 B7R0.9 CC(C)CP(=O)(O)O MCULE-5164389604 [0,1,0,0,0,1|2,0,0]=4 2633 B7R0.9 CC(C)NS(=O)(=O)O MCULE-8414216278 [0,1,0,0,0,1|2,0,0]=4 2634 B7R0.9 CC(C)OS(=O)(=O)O MCULE-9056417787 [0,1,0,0,0,1|2,0,0]=4 2635 B7R0.9 CC(F)(F)CC(=O)O MCULE-2075069695 [0,1,0,0,0,1|1,0,0]=3 2636 B7R0.9 CC(N)CS(=O)(=O)O MCULE-7402057915 [0,1,0,0,0,1|2,0,0]=4 2637 B7R0.9 CC(O)CC(C)(C)O MCULE-5281049691 [0,1,0,0,0,1|1,0,1]=4 2638 B7R0.9 CC(O)CC(C)(C)O MCULE-8163963858 [0,1,0,0,0,1|1,0,1]=4 2639 B7R0.9 CC(O)CS(=O)(=O)C MCULE-9821477194 [0,1,0,0,0,1|1,0,1]=4 2640 B7R0.9 CS(=O)(=O)CC(=O)O MCULE-1982886035 [0,1,0,0,0,1|1,0,1]=4 2641 B7R0.9 C[As+](C)(C)CC(=O)O MCULE-7167642312 [0,1,0,0,0,1|2,0,0]=4 2642 B7R0.9 C[C@@H](O)CC(C)(C)O MCULE-5779966658 [0,1,0,0,0,1|1,0,1]=4 2643 B7R0.9 C[C@H](O)CC(C)(C)O MCULE-6903579241 [0,1,0,0,0,1|1,0,1]=4 2644 B7R0.9 C[N+](C)(C)CC(=O)O MCULE-5937838609 [0,1,0,0,0,1|2,0,0]=4 2645 B7R0.9 C[Si](C)(C)CC(=O)O MCULE-3888042601 [0,1,0,0,0,1|1,1,0]=4 2646 B7R0.9 O=C(O)CC(F)(F)F MCULE-5328586639 [0,1,0,0,0,1|2,0,0]=4 2647 B7R0.9 O=C(O)CP(=O)(O)O MCULE-7055994360 [0,1,0,0,0,1|2,0,0]=4 2648 B7R0.9 O=C(O)CS(=O)(=O)O MCULE-4846153382 [0,1,0,0,0,1|2,0,0]=4 2649 B7R0.16 C=C(C(=O)O)C(=O)O MCULE-7540749901 [0,1,0,0,0,1|1,0,1]=4 2650 B7R0.16 C=C(C(=O)O)C(C)C MCULE-6667026437 [0,1,0,0,0,1|1,0,0]=3 2651 B7R0.16 C=C(C)C(N)C(=O)O MCULE-1815568719 [0,1,0,0,0,1|1,0,1]=4 2652 B7R0.16 C=C(C)C(N)C(=O)O MCULE-2839869274 [0,1,0,0,0,1|1,0,1]=4 2653 B7R0.16 C=C(C)C(N)C(=O)O MCULE-5015326828 [0,1,0,0,0,1|1,0,1]=4 2654 B7R0.16 C=C(C)C(N)C(=O)O MCULE-5043630144 [0,1,0,0,0,1|1,0,1]=4 2655 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-2007035571 [0,1,0,0,0,1|1,0,1]=4 2656 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-6240689602 [0,1,0,0,0,1|1,0,1]=4 2657 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-8025014656 [0,1,0,0,0,1|1,0,1]=4 2658 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-9704891439 [0,1,0,0,0,1|1,0,1]=4 2659 B7R0.16 CC(=C(Br)C(=O)O)C MCULE-8944482091 [0,1,0,0,0,1|1,0,1]=4 2660 B7R0.16 CC(=C(C)C(=O)O)Br MCULE-9431818570 [0,1,0,0,0,1|1,0,1]=4 2661 B7R0.16 CC(=C(C)C(=O)O)C MCULE-1062537992 [0,1,0,0,0,1|1,0,1]=4 2662 B7R0.16 CC(=C(Cl)C(=O)O)C MCULE-9408683615 [0,1,0,0,0,1|1,0,1]=4 2663 B7R0.16 CC(=C(F)C(=O)O)C MCULE-9025515032 [0,1,0,0,0,1|1,0,1]=4 2664 B7R0.16 CC(=O)C(=O)C(C)Br MCULE-8153095418 [0,1,0,0,0,1|2,0,0]=4 2665 B7R0.16 CC(=O)C(Br)C(C)C MCULE-2864707278 [0,1,0,0,0,1|2,0,0]=4 2666 B7R0.16 CC(=O)C(Cl)C(C)C MCULE-2825069638 [0,1,0,0,0,1|2,0,0]=4 2667 B7R0.16 CC(Br)C(Br)C(=O)O MCULE-8605068480 [0,1,0,0,0,1|1,0,0]=3 2668 B7R0.16 CC(Br)C(O)C(=O)O MCULE-8231714451 [0,1,0,0,0,1|1,0,0]=3 2669 B7R0.16 CC(C(=O)O)C(=O)O MCULE-7232226851 [0,1,0,0,0,1|1,0,1]=4 2670 B7R0.16 CC(C(=O)O)N(C)C MCULE-2658921782 [0,1,0,0,0,1|2,0,0]=4 2671 B7R0.16 CC(C(=O)O)N(C)C MCULE-4457336101 [0,1,0,0,0,1|2,0,0]=4 2672 B7R0.16 CC(C(=O)O)N(C)N MCULE-1182323460 [0,1,0,0,0,1|2,0,0]=4 2673 B7R0.16 CC(C)C(=O)C(=O)Cl MCULE-6254092186 [0,1,0,0,0,1|2,0,0]=4 2674 B7R0.16 CC(C)C(=O)C(=O)O MCULE-9877767821 [0,1,0,0,0,1|1,0,0]=3 2675 B7R0.16 CC(C)C(=O)C(=O)[O-] MCULE-3960241746 [0,1,0,0,0,1|1,0,1]=4 2676 B7R0.16 CC(C)C(Br)C(=O)Br MCULE-7135511419 [0,1,0,0,0,1|2,0,0]=4 2677 B7R0.16 CC(C)C(Br)C(=O)Cl MCULE-7468132927 [0,1,0,0,0,1|2,0,0]=4 2678 B7R0.16 CC(C)C(Br)C(=O)N MCULE-8059032804 [0,1,0,0,0,1|2,0,0]=4 2679 B7R0.16 CC(C)C(Br)C(=O)O MCULE-7284929535 [0,1,0,0,0,1|1,0,0]=3 2680 B7R0.16 CC(C)C(Br)C(=O)O MCULE-8100016953 [0,1,0,0,0,1|1,0,0]=3 2681 B7R0.16 CC(C)C(C)C(=O)Cl MCULE-4466867108 [0,1,0,0,0,1|2,0,0]=4 2682 B7R0.16 CC(C)C(C)C(=O)O MCULE-4998524686 [0,1,0,0,0,1|1,0,0]=3 2683 B7R0.16 CC(C)C(Cl)C(=O)Cl MCULE-8764699774 [0,1,0,0,0,1|2,0,0]=4 2684 B7R0.16 CC(C)C(Cl)C(=O)O MCULE-8634615546 [0,1,0,0,0,1|1,0,0]=3 2685 B7R0.16 CC(C)C(F)C(=O)O MCULE-5644342535 [0,1,0,0,0,1|1,0,0]=3 2686 B7R0.16 CC(C)C(N)C(=O)N MCULE-5793065876 [0,1,0,0,0,1|2,0,0]=4 2687 B7R0.16 CC(C)C(N)C(=O)N MCULE-6836215171 [0,1,0,0,0,1|2,0,0]=4 2688 B7R0.16 CC(C)C(N)C(=O)O MCULE-8140660263 [0,1,0,0,0,1|1,0,0]=3 2689 B7R0.16 CC(C)C(N)C(=O)O MCULE-9199801639 [0,1,0,0,0,1|1,0,0]=3 2690 B7R0.16 CC(C)C(O)C(=O)O MCULE-6517225229 [0,1,0,0,0,1|1,0,0]=3 2691 B7R0.16 CC(C)C(O)C(=O)O MCULE-7748605101 [0,1,0,0,0,1|1,0,0]=3 2692 B7R0.16 CC(C)N(C)C(=O)Cl MCULE-1063482503 [0,1,0,0,0,1|2,0,0]=4 2693 B7R0.16 CC(C)[C@@H](Br)C(=O)O MCULE-2705531785 [0,1,0,0,0,1|1,0,0]=3 2694 B7R0.16 CC(C)[C@@H](Br)C(=O)O MCULE-7570119486 [0,1,0,0,0,1|1,0,0]=3 2695 B7R0.16 CC(C)[C@@H](N)C(=O)N MCULE-2330575489 [0,1,0,0,0,1|2,0,0]=4 2696 B7R0.16 CC(C)[C@@H](N)C(=O)N MCULE-2653474443 [0,1,0,0,0,1|2,0,0]=4 2697 B7R0.16 CC(C)[C@@H](N)C(=O)N MCULE-3449326352 [0,1,0,0,0,1|2,0,0]=4 2698 B7R0.16 CC(C)[C@@H](N)C(=O)N MCULE-7409435805 [0,1,0,0,0,1|2,0,0]=4 2699 B7R0.16 CC(C)[C@@H](N)C(=O)O MCULE-1338052740 [0,1,0,0,0,1|1,0,0]=3 2700 B7R0.16 CC(C)[C@@H](N)C(=O)O MCULE-2459930572 [0,1,0,0,0,1|1,0,0]=3 2701 B7R0.16 CC(C)[C@@H](O)C(=O)O MCULE-7719048521 [0,1,0,0,0,1|1,0,0]=3 2702 B7R0.16 CC(C)[C@@H](O)C(=O)O MCULE-9864796653 [0,1,0,0,0,1|1,0,0]=3 2703 B7R0.16 CC(C)[C@H](Br)C(=O)O MCULE-4863317096 [0,1,0,0,0,1|1,0,0]=3 2704 B7R0.16 CC(C)[C@H](Br)C(=O)O MCULE-8695526864 [0,1,0,0,0,1|1,0,0]=3 2705 B7R0.16 CC(C)[C@H](C)C(=O)O MCULE-4413397700 [0,1,0,0,0,1|1,0,0]=3 2706 B7R0.16 CC(C)[C@H](C)C(=O)O MCULE-6269612306 [0,1,0,0,0,1|1,0,0]=3 2707 B7R0.16 CC(C)[C@H](Cl)C(=O)O MCULE-8084934210 [0,1,0,0,0,1|1,0,0]=3 2708 B7R0.16 CC(C)[C@H](Cl)C(=O)O MCULE-8307595659 [0,1,0,0,0,1|1,0,0]=3 2709 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-1415573194 [0,1,0,0,0,1|2,0,0]=4 2710 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-2742126302 [0,1,0,0,0,1|2,0,0]=4 2711 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-3124084676 [0,1,0,0,0,1|2,0,0]=4 2712 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-4854272542 [0,1,0,0,0,1|2,0,0]=4 2713 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-7430998836 [0,1,0,0,0,1|2,0,0]=4 2714 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-9899853579 [0,1,0,0,0,1|2,0,0]=4 2715 B7R0.16 CC(C)[C@H](N)C(=O)O MCULE-2507309072 [0,1,0,0,0,1|1,0,0]=3 2716 B7R0.16 CC(C)[C@H](N)C(=O)O MCULE-9143825935 [0,1,0,0,0,1|1,0,0]=3 2717 B7R0.16 CC(C)[C@H](O)C(=O)O MCULE-1975771806 [0,1,0,0,0,1|1,0,0]=3 2718 B7R0.16 CC(C)[C@H](O)C(=O)O MCULE-4070611738 [0,1,0,0,0,1|1,0,0]=3 2719 B7R0.16 CC(F)C(N)C(=O)O MCULE-8810968604 [0,1,0,0,0,1|1,0,0]=3 2720 B7R0.16 CC(N)C(C)C(=O)O MCULE-2921617741 [0,1,0,0,0,1|1,0,0]=3 2721 B7R0.16 CC(N)C(C)C(=O)O MCULE-8511267926 [0,1,0,0,0,1|1,0,0]=3 2722 B7R0.16 CC(N)C(O)C(=O)O MCULE-1086139043 [0,1,0,0,0,1|1,0,0]=3 2723 B7R0.16 CC(N)C(O)C(=O)O MCULE-6405300346 [0,1,0,0,0,1|1,0,0]=3 2724 B7R0.16 CC(O)C(C)C(=O)O MCULE-2499360516 [0,1,0,0,0,1|0,0,0]=2 2725 B7R0.16 CC(O)C(C)N(=O)=O MCULE-8190257217 [0,1,0,0,0,1|1,0,1]=4 2726 B7R0.16 CC(O)C(N)C(=O)N MCULE-1234785834 [0,1,0,0,0,1|1,0,0]=3 2727 B7R0.16 CC(O)C(N)C(=O)N MCULE-5867306342 [0,1,0,0,0,1|1,0,0]=3 2728 B7R0.16 CC(O)C(N)C(=O)O MCULE-1563595722 [0,1,0,0,0,1|0,0,0]=2 2729 B7R0.16 CC(O)C(N)C(=O)O MCULE-5581920538 [0,1,0,0,0,1|0,0,0]=2 2730 B7R0.16 CN(C)C(=O)C(=O)O MCULE-4063274840 [0,1,0,0,0,1|2,0,0]=4 2731 B7R0.16 C[C@@H](C(=O)O)N(C)C MCULE-1371350024 [0,1,0,0,0,1|2,0,0]=4 2732 B7R0.16 C[C@@H](C(=O)O)N(C)C MCULE-2001661938 [0,1,0,0,0,1|2,0,0]=4 2733 B7R0.16 C[C@@H](C(=O)O)N(C)C MCULE-6789128261 [0,1,0,0,0,1|2,0,0]=4 2734 B7R0.16 C[C@@H](N)[C@@H](N)C(=O)O MCULE-5302456851 [0,1,0,0,0,1|1,0,0]=3 2735 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-1663687439 [0,1,0,0,0,1|0,0,0]=2 2736 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-3863591433 [0,1,0,0,0,1|0,0,0]=2 2737 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-8080019797 [0,1,0,0,0,1|0,0,0]=2 2738 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-9284411012 [0,1,0,0,0,1|0,0,0]=2 2739 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-1969228933 [0,1,0,0,0,1|1,0,0]=3 2740 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-3285041526 [0,1,0,0,0,1|1,0,0]=3 2741 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-5018319528 [0,1,0,0,0,1|1,0,0]=3 2742 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-6080625355 [0,1,0,0,0,1|1,0,0]=3 2743 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-9393787536 [0,1,0,0,0,1|1,0,0]=3 2744 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-9925689829 [0,1,0,0,0,1|1,0,0]=3 2745 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-2430667007 [0,1,0,0,0,1|0,0,0]=2 2746 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-2676185993 [0,1,0,0,0,1|0,0,0]=2 2747 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-5254477364 [0,1,0,0,0,1|0,0,0]=2 2748 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-5505393195 [0,1,0,0,0,1|0,0,0]=2 2749 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-7379719940 [0,1,0,0,0,1|0,0,0]=2 2750 B7R0.16 C[C@@H](O)[C@H](O)C(=O)O MCULE-9383777855 [0,1,0,0,0,1|0,0,0]=2 2751 B7R0.16 C[C@H](C(=O)O)N(C)C MCULE-2210848569 [0,1,0,0,0,1|2,0,0]=4 2752 B7R0.16 C[C@H](C(=O)O)N(C)C MCULE-5148086527 [0,1,0,0,0,1|2,0,0]=4 2753 B7R0.16 C[C@H](C(=O)O)[C@@H](C)N MCULE-2245171795 [0,1,0,0,0,1|1,0,0]=3 2754 B7R0.16 C[C@H](C(=O)O)[C@@H](C)N MCULE-2727261050 [0,1,0,0,0,1|1,0,0]=3 2755 B7R0.16 C[C@H](C(=O)O)[C@@H](C)O MCULE-8875933839 [0,1,0,0,0,1|0,0,0]=2 2756 B7R0.16 C[C@H](N)[C@@H](N)C(=O)O MCULE-9507122128 [0,1,0,0,0,1|1,0,0]=3 2757 B7R0.16 C[C@H](N)[C@@H](O)C(=O)O MCULE-2574349608 [0,1,0,0,0,1|1,0,0]=3 2758 B7R0.16 C[C@H](N)[C@@H](O)C(=O)O MCULE-6297204649 [0,1,0,0,0,1|1,0,0]=3 2759 B7R0.16 C[C@H](N)[C@H](N)C(=O)O MCULE-3178389621 [0,1,0,0,0,1|1,0,0]=3 2760 B7R0.16 C[C@H](O)C(N)C(=O)O MCULE-6661175670 [0,1,0,0,0,1|0,0,0]=2 2761 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-6288272506 [0,1,0,0,0,1|0,0,0]=2 2762 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-7203096302 [0,1,0,0,0,1|0,0,0]=2 2763 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-9531951265 [0,1,0,0,0,1|0,0,0]=2 2764 B7R0.16 C[C@H](O)[C@H](N)C(=O)O MCULE-2246314901 [0,1,0,0,0,1|0,0,0]=2 2765 B7R0.16 C[C@H](O)[C@H](N)C(=O)O MCULE-9478987169 [0,1,0,0,0,1|0,0,0]=2 2766 B7R0.16 NC(C(=O)O)C(=O)O MCULE-6118746267 [0,1,0,0,0,1|1,0,1]=4 2767 B7R0.16 O=C(O)C(=O)C(=O)O MCULE-9031084199 [0,1,0,0,0,1|1,0,1]=4 2768 B7R0.16 O=C(O)C(=O)C(Br)Br MCULE-6847251467 [0,1,0,0,0,1|2,0,0]=4 2769 B7R0.16 O=C(O)C(Cl)C(=O)O MCULE-9776364495 [0,1,0,0,0,1|1,0,1]=4 2770 B7R0.16 O=C(O)C(F)C(=O)O MCULE-9969055570 [0,1,0,0,0,1|1,0,1]=4 2771 B7R0.16 O=C(O)C(O)C(=O)O MCULE-4232935518 [0,1,0,0,0,1|1,0,1]=4 2772 B7R0.16 O=C(O)C(O)C(F)F MCULE-6750020534 [0,1,0,0,0,1|2,0,0]=4 2773 B7R0.5 C#CCC(C)C(=O)O MCULE-4819055703 [0,2,0,0,0,0|1,0,0]=3 2774 B7R0.5 C#CCC(F)C(=O)O MCULE-1070671235 [0,2,0,0,0,0|1,0,0]=3 2775 B7R0.5 C#CCC(N)C(=O)O MCULE-2022398365 [0,2,0,0,0,0|1,0,0]=3 2776 B7R0.5 C#CCC(N)C(=O)O MCULE-2451098139 [0,2,0,0,0,0|1,0,0]=3 2777 B7R0.5 C#CCC(N)C(=O)O MCULE-4330300997 [0,2,0,0,0,0|1,0,0]=3 2778 B7R0.5 C#CCC(N)C(=O)O MCULE-5100293043 [0,2,0,0,0,0|1,0,0]=3 2779 B7R0.5 C#CCC(O)C(=O)O MCULE-4988425198 [0,2,0,0,0,0|0,0,0]=2 2780 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-1266511504 [0,2,0,0,0,0|1,0,0]=3 2781 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-2589808316 [0,2,0,0,0,0|1,0,0]=3 2782 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-4703021434 [0,2,0,0,0,0|1,0,0]=3 2783 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-5616417783 [0,2,0,0,0,0|1,0,0]=3 2784 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-1593368546 [0,2,0,0,0,0|1,0,0]=3 2785 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-5683421535 [0,2,0,0,0,0|1,0,0]=3 2786 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-7302855511 [0,2,0,0,0,0|1,0,0]=3 2787 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-9256626051 [0,2,0,0,0,0|1,0,0]=3 2788 B7R0.5 C=C(C)C(=O)NCO MCULE-2758821094 [0,2,0,0,0,0|1,0,1]=4 2789 B7R0.5 C=C(C)C(=O)OCC MCULE-9496497565 [0,2,0,0,0,0|1,0,1]=4 2790 B7R0.5 C=C(CCC)C(=O)O MCULE-5702167426 [0,2,0,0,0,0|1,0,1]=4 2791 B7R0.5 C=C(CCO)C(=O)O MCULE-3336434079 [0,2,0,0,0,0|0,0,2]=4 2792 B7R0.5 C=C(COC)C(=O)O MCULE-8964616960 [0,2,0,0,0,0|0,0,2]=4 2793 B7R0.5 C=C=CC(C)C(=O)O MCULE-3438905862 [0,2,0,0,0,0|1,0,0]=3 2794 B7R0.5 C=CC=C(C)C(=O)O MCULE-9568360048 [0,2,0,0,0,0|1,0,1]=4 2795 B7R0.5 C=CCC(C)C(=O)C MCULE-4395269639 [0,2,0,0,0,0|2,0,0]=4 2796 B7R0.5 C=CCC(C)C(=O)O MCULE-2912410432 [0,2,0,0,0,0|1,0,0]=3 2797 B7R0.5 C=CCC(N)C(=O)O MCULE-1550468430 [0,2,0,0,0,0|1,0,0]=3 2798 B7R0.5 C=CCC(N)C(=O)O MCULE-1783682768 [0,2,0,0,0,0|1,0,0]=3 2799 B7R0.5 C=CCC(N)C(=O)O MCULE-8721864064 [0,2,0,0,0,0|1,0,0]=3 2800 B7R0.5 C=CCC(N)C(=O)O MCULE-9091562338 [0,2,0,0,0,0|1,0,0]=3 2801 B7R0.5 C=CCC(O)C(=O)O MCULE-6418899544 [0,2,0,0,0,0|0,0,0]=2 2802 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-3817126030 [0,2,0,0,0,0|1,0,0]=3 2803 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-5479618260 [0,2,0,0,0,0|1,0,0]=3 2804 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-6719393730 [0,2,0,0,0,0|1,0,0]=3 2805 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-7577627870 [0,2,0,0,0,0|1,0,0]=3 2806 B7R0.5 C=CC[C@@H](O)C(=O)O MCULE-4103471826 [0,2,0,0,0,0|0,0,0]=2 2807 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-2073484196 [0,2,0,0,0,0|1,0,0]=3 2808 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-3267648941 [0,2,0,0,0,0|1,0,0]=3 2809 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-4183531139 [0,2,0,0,0,0|1,0,0]=3 2810 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-8225762047 [0,2,0,0,0,0|1,0,0]=3 2811 B7R0.5 C=CC[C@H](O)C(=O)O MCULE-8230827617 [0,2,0,0,0,0|0,0,0]=2 2812 B7R0.5 C=COC(=O)C(=C)C MCULE-3204745409 [0,2,0,0,0,0|1,0,1]=4 2813 B7R0.5 CC(=O)C(C)CCBr MCULE-4705039689 [0,2,0,0,0,0|2,0,0]=4 2814 B7R0.5 CC(=O)C(C)CCCl MCULE-2960091698 [0,2,0,0,0,0|2,0,0]=4 2815 B7R0.5 CC(=O)C(C)CCO MCULE-3907160101 [0,2,0,0,0,0|1,0,0]=3 2816 B7R0.5 CC(=O)C(Cl)CCCl MCULE-4634341484 [0,2,0,0,0,0|2,0,0]=4 2817 B7R0.5 CC(=O)C(Cl)CCO MCULE-1606704903 [0,2,0,0,0,0|2,0,0]=4 2818 B7R0.5 CC(=O)N(C)CCO MCULE-4135818139 [0,2,0,0,0,0|2,0,0]=4 2819 B7R0.5 CC(C)C(=O)CC#N MCULE-1573579728 [0,2,0,0,0,0|2,0,0]=4 2820 B7R0.5 CC(C)C(=O)CCN MCULE-1638964690 [0,2,0,0,0,0|2,0,0]=4 2821 B7R0.5 CC(C)C(=O)CCN MCULE-5188027669 [0,2,0,0,0,0|2,0,0]=4 2822 B7R0.5 CC(C)C(=O)NCO MCULE-4279406951 [0,2,0,0,0,0|1,0,0]=3 2823 B7R0.5 CC(C)C(=O)OCBr MCULE-3276711258 [0,2,0,0,0,0|1,0,0]=3 2824 B7R0.5 CC(C)C(=O)OCCl MCULE-2226037128 [0,2,0,0,0,0|1,0,0]=3 2825 B7R0.5 CC(CCCl)C(=O)Cl MCULE-4844969943 [0,2,0,0,0,0|2,0,0]=4 2826 B7R0.5 CC(CCN)C(=O)O MCULE-8098419324 [0,2,0,0,0,0|1,0,0]=3 2827 B7R0.5 CC(CCN)C(=O)O MCULE-8509861009 [0,2,0,0,0,0|1,0,0]=3 2828 B7R0.5 CC(CCO)C(=O)N MCULE-3037868887 [0,2,0,0,0,0|1,0,0]=3 2829 B7R0.5 CC(CCO)C(=O)O MCULE-9724304469 [0,2,0,0,0,0|0,0,0]=2 2830 B7R0.5 CC(CCO)C(=O)[O-] MCULE-2278638513 [0,2,0,0,0,0|0,0,1]=3 2831 B7R0.5 CC(N=N#N)C(=O)N MCULE-4148116960 [0,2,0,0,0,0|2,0,0]=4 2832 B7R0.5 CC(N=N#N)C(=O)O MCULE-1449528032 [0,2,0,0,0,0|1,0,0]=3 2833 B7R0.5 CC(N=N#N)C(=O)O MCULE-6367123914 [0,2,0,0,0,0|1,0,0]=3 2834 B7R0.5 CC(NC=O)C(=O)O MCULE-7277951464 [0,2,0,0,0,0|0,0,1]=3 2835 B7R0.5 CC/C=C(\C)/C(=O)O MCULE-1290613859 [0,2,0,0,0,0|1,0,1]=4 2836 B7R0.5 CC=CC(C)C(=O)O MCULE-5584906296 [0,2,0,0,0,0|1,0,0]=3 2837 B7R0.5 CC=CC(O)C(=O)O MCULE-5249095255 [0,2,0,0,0,0|0,0,0]=2 2838 B7R0.5 CCC=C(C)C(=O)O MCULE-5045441145 [0,2,0,0,0,0|1,0,1]=4 2839 B7R0.5 CCC=C(F)C(=O)O MCULE-6630499680 [0,2,0,0,0,0|1,0,1]=4 2840 B7R0.5 CCCC(=O)C(=O)O MCULE-5281491858 [0,2,0,0,0,0|0,0,2]=4 2841 B7R0.5 CCCC(=O)C(C)Br MCULE-8743472868 [0,2,0,0,0,0|2,0,0]=4 2842 B7R0.5 CCCC(=O)C(C)C MCULE-7690543374 [0,2,0,0,0,0|2,0,0]=4 2843 B7R0.5 CCCC(Br)C(=O)C MCULE-2062903416 [0,2,0,0,0,0|2,0,0]=4 2844 B7R0.5 CCCC(Br)C(=O)O MCULE-4304229911 [0,2,0,0,0,0|1,0,0]=3 2845 B7R0.5 CCCC(C)C(=O)C MCULE-5585795289 [0,2,0,0,0,0|2,0,0]=4 2846 B7R0.5 CCCC(C)C(=O)Cl MCULE-4855016209 [0,2,0,0,0,0|2,0,0]=4 2847 B7R0.5 CCCC(C)C(=O)N MCULE-1948746391 [0,2,0,0,0,0|2,0,0]=4 2848 B7R0.5 CCCC(C)C(=O)O MCULE-7779384365 [0,2,0,0,0,0|1,0,0]=3 2849 B7R0.5 CCCC(Cl)C(=O)O MCULE-1265367924 [0,2,0,0,0,0|1,0,0]=3 2850 B7R0.5 CCCC(F)C(=O)O MCULE-5551678948 [0,2,0,0,0,0|1,0,0]=3 2851 B7R0.5 CCCC(N)C(=O)N MCULE-5159221123 [0,2,0,0,0,0|2,0,0]=4 2852 B7R0.5 CCCC(N)C(=O)N MCULE-5742773956 [0,2,0,0,0,0|2,0,0]=4 2853 B7R0.5 CCCC(N)C(=O)O MCULE-1684743992 [0,2,0,0,0,0|1,0,0]=3 2854 B7R0.5 CCCC(N)C(=O)O MCULE-5263067403 [0,2,0,0,0,0|1,0,0]=3 2855 B7R0.5 CCCC(N)C(=O)O MCULE-7151907627 [0,2,0,0,0,0|1,0,0]=3 2856 B7R0.5 CCCC(O)C(=O)N MCULE-3143432132 [0,2,0,0,0,0|1,0,0]=3 2857 B7R0.5 CCCC(O)C(=O)O MCULE-8533446195 [0,2,0,0,0,0|0,0,0]=2 2858 B7R0.5 CCCC(O)C(=O)O MCULE-9586449213 [0,2,0,0,0,0|0,0,0]=2 2859 B7R0.5 CCC[C@@H](N)C(=O)O MCULE-1302378905 [0,2,0,0,0,0|1,0,0]=3 2860 B7R0.5 CCC[C@@H](N)C(=O)O MCULE-5246507817 [0,2,0,0,0,0|1,0,0]=3 2861 B7R0.5 CCC[C@@H](O)C(=O)O MCULE-2742119346 [0,2,0,0,0,0|0,0,0]=2 2862 B7R0.5 CCC[C@H](Br)C(=O)O MCULE-3070253588 [0,2,0,0,0,0|1,0,0]=3 2863 B7R0.5 CCC[C@H](N)C(=O)N MCULE-2163059771 [0,2,0,0,0,0|2,0,0]=4 2864 B7R0.5 CCC[C@H](N)C(=O)N MCULE-4687172013 [0,2,0,0,0,0|2,0,0]=4 2865 B7R0.5 CCC[C@H](N)C(=O)N MCULE-7482592029 [0,2,0,0,0,0|2,0,0]=4 2866 B7R0.5 CCC[C@H](N)C(=O)N MCULE-9639796243 [0,2,0,0,0,0|2,0,0]=4 2867 B7R0.5 CCC[C@H](N)C(=O)O MCULE-2890516597 [0,2,0,0,0,0|1,0,0]=3 2868 B7R0.5 CCC[C@H](N)C(=O)O MCULE-4690406880 [0,2,0,0,0,0|1,0,0]=3 2869 B7R0.5 CCC[C@H](N)C(=O)O MCULE-9323049450 [0,2,0,0,0,0|1,0,0]=3 2870 B7R0.5 CCC[C@H](O)C(=O)O MCULE-6533548138 [0,2,0,0,0,0|0,0,0]=2 2871 B7R0.5 CCC[C@H](O)C(=O)O MCULE-8321722254 [0,2,0,0,0,0|0,0,0]=2 2872 B7R0.5 CCNC(=O)C(=O)O MCULE-1213485294 [0,2,0,0,0,0|0,0,2]=4 2873 B7R0.5 CCNC(=O)C(C)Br MCULE-4342500989 [0,2,0,0,0,0|2,0,0]=4 2874 B7R0.5 CCNC(=O)C(C)Cl MCULE-2094375104 [0,2,0,0,0,0|2,0,0]=4 2875 B7R0.5 CCNC(=O)C(C)N MCULE-7767946644 [0,2,0,0,0,0|2,0,0]=4 2876 B7R0.5 CCNC(=O)C(C)N MCULE-8324775088 [0,2,0,0,0,0|2,0,0]=4 2877 B7R0.5 CCNC(=O)C(C)N MCULE-9028977052 [0,2,0,0,0,0|2,0,0]=4 2878 B7R0.5 CCNC(=O)[C@H](C)N MCULE-1043080386 [0,2,0,0,0,0|2,0,0]=4 2879 B7R0.5 CCNC(=O)[C@H](C)O MCULE-9098995292 [0,2,0,0,0,0|1,0,0]=3 2880 B7R0.5 CCNC(C)C(=O)N MCULE-2861818493 [0,2,0,0,0,0|2,0,0]=4 2881 B7R0.5 CCNC(C)C(=O)N MCULE-6110291237 [0,2,0,0,0,0|2,0,0]=4 2882 B7R0.5 CCNC(C)C(=O)O MCULE-5445574810 [0,2,0,0,0,0|1,0,0]=3 2883 B7R0.5 CCNC(C)C(=O)O MCULE-5666785247 [0,2,0,0,0,0|1,0,0]=3 2884 B7R0.5 CCN[C@H](C)C(=O)O MCULE-9676358201 [0,2,0,0,0,0|1,0,0]=3 2885 B7R0.5 CCOC(=N)C(C)C MCULE-3425518673 [0,2,0,0,0,0|2,0,0]=4 2886 B7R0.5 CCOC(=N)C(C)C MCULE-9982777491 [0,2,0,0,0,0|2,0,0]=4 2887 B7R0.5 CCOC(=N)C(C)O MCULE-4906645723 [0,2,0,0,0,0|1,0,0]=3 2888 B7R0.5 CCOC(=N)C(C)O MCULE-6342692176 [0,2,0,0,0,0|1,0,0]=3 2889 B7R0.5 CCOC(=O)C(=O)C MCULE-5817261721 [0,2,0,0,0,0|0,0,2]=4 2890 B7R0.5 CCOC(=O)C(=O)O MCULE-2368024441 [0,2,0,0,0,0|0,0,2]=4 2891 B7R0.5 CCOC(=O)C(Br)Br MCULE-8701615311 [0,2,0,0,0,0|2,0,0]=4 2892 B7R0.5 CCOC(=O)C(C)Br MCULE-3184697988 [0,2,0,0,0,0|1,0,0]=3 2893 B7R0.5 CCOC(=O)C(C)C MCULE-7190269066 [0,2,0,0,0,0|1,0,0]=3 2894 B7R0.5 CCOC(=O)C(C)Cl MCULE-8192833024 [0,2,0,0,0,0|1,0,0]=3 2895 B7R0.5 CCOC(=O)C(C)F MCULE-5743308430 [0,2,0,0,0,0|1,0,0]=3 2896 B7R0.5 CCOC(=O)C(C)I MCULE-5895787216 [0,2,0,0,0,0|1,0,0]=3 2897 B7R0.5 CCOC(=O)C(C)N MCULE-1694144423 [0,2,0,0,0,0|1,0,0]=3 2898 B7R0.5 CCOC(=O)C(C)N MCULE-4073874506 [0,2,0,0,0,0|1,0,0]=3 2899 B7R0.5 CCOC(=O)C(C)N MCULE-4082731166 [0,2,0,0,0,0|1,0,0]=3 2900 B7R0.5 CCOC(=O)C(C)N MCULE-5175870607 [0,2,0,0,0,0|1,0,0]=3 2901 B7R0.5 CCOC(=O)C(C)O MCULE-8057202883 [0,2,0,0,0,0|0,0,0]=2 2902 B7R0.5 CCOC(=O)C(C)O MCULE-9679398205 [0,2,0,0,0,0|0,0,0]=2 2903 B7R0.5 CCOC(=O)C(C)S MCULE-7890942953 [0,2,0,0,0,0|0,1,0]=3 2904 B7R0.5 CCOC(=O)C(Cl)Cl MCULE-3838429635 [0,2,0,0,0,0|2,0,0]=4 2905 B7R0.5 CCOC(=O)C(F)Br MCULE-5661791694 [0,2,0,0,0,0|2,0,0]=4 2906 B7R0.5 CCOC(=O)C(F)Cl MCULE-4260692293 [0,2,0,0,0,0|2,0,0]=4 2907 B7R0.5 CCOC(=O)C(F)F MCULE-6388513707 [0,2,0,0,0,0|2,0,0]=4 2908 B7R0.5 CCOC(=O)C(F)I MCULE-4681224874 [0,2,0,0,0,0|2,0,0]=4 2909 B7R0.5 CCOC(=O)N(C)C MCULE-8344568471 [0,2,0,0,0,0|2,0,0]=4 2910 B7R0.5 CCOC(=O)N(C)N MCULE-3043289486 [0,2,0,0,0,0|2,0,0]=4 2911 B7R0.5 CCOC(=O)[C@@H](C)F MCULE-1032359164 [0,2,0,0,0,0|1,0,0]=3 2912 B7R0.5 CCOC(=O)[C@@H](C)F MCULE-1087923626 [0,2,0,0,0,0|1,0,0]=3 2913 B7R0.5 CCOC(=O)[C@@H](C)N MCULE-1553164105 [0,2,0,0,0,0|1,0,0]=3 2914 B7R0.5 CCOC(=O)[C@@H](C)N MCULE-2294196196 [0,2,0,0,0,0|1,0,0]=3 2915 B7R0.5 CCOC(=O)[C@@H](C)N MCULE-4613491627 [0,2,0,0,0,0|1,0,0]=3 2916 B7R0.5 CCOC(=O)[C@@H](C)N MCULE-8190900780 [0,2,0,0,0,0|1,0,0]=3 2917 B7R0.5 CCOC(=O)[C@@H](C)O MCULE-3372948910 [0,2,0,0,0,0|0,0,0]=2 2918 B7R0.5 CCOC(=O)[C@@H](C)O MCULE-5795033916 [0,2,0,0,0,0|0,0,0]=2 2919 B7R0.5 CCOC(=O)[C@H](C)F MCULE-3258014155 [0,2,0,0,0,0|1,0,0]=3 2920 B7R0.5 CCOC(=O)[C@H](C)N MCULE-4397919899 [0,2,0,0,0,0|1,0,0]=3 2921 B7R0.5 CCOC(=O)[C@H](C)N MCULE-4404274511 [0,2,0,0,0,0|1,0,0]=3 2922 B7R0.5 CCOC(=O)[C@H](C)N MCULE-7626045082 [0,2,0,0,0,0|1,0,0]=3 2923 B7R0.5 CCOC(=O)[C@H](C)N MCULE-8333235087 [0,2,0,0,0,0|1,0,0]=3 2924 B7R0.5 CCOC(=O)[C@H](C)O MCULE-4333545760 [0,2,0,0,0,0|0,0,0]=2 2925 B7R0.5 CCOC(=O)[C@H](C)O MCULE-8787861948 [0,2,0,0,0,0|0,0,0]=2 2926 B7R0.5 CCOC(C)C(=O)O MCULE-2185795311 [0,2,0,0,0,0|0,0,0]=2 2927 B7R0.5 CCOC(C)C(=S)N MCULE-2027801148 [0,2,0,0,0,0|1,1,0]=4 2928 B7R0.5 CCSC(=O)C(C)N MCULE-3205133332 [0,2,0,0,0,0|1,1,0]=4 2929 B7R0.5 CCSC(=O)C(C)N MCULE-4228316337 [0,2,0,0,0,0|1,1,0]=4 2930 B7R0.5 CCSC(=O)[C@H](C)N MCULE-3136283874 [0,2,0,0,0,0|1,1,0]=4 2931 B7R0.5 CCSC(=O)[C@H](C)N MCULE-7218618193 [0,2,0,0,0,0|1,1,0]=4 2932 B7R0.5 CCSC(=O)[C@H](C)N MCULE-8421179745 [0,2,0,0,0,0|1,1,0]=4 2933 B7R0.5 CCSC(=O)[C@H](C)N MCULE-9872171069 [0,2,0,0,0,0|1,1,0]=4 2934 B7R0.5 CCSC(C)C(=O)O MCULE-9817243573 [0,2,0,0,0,0|0,1,0]=3 2935 B7R0.5 CN(C)C(=O)CCO MCULE-8849440937 [0,2,0,0,0,0|2,0,0]=4 2936 B7R0.5 CN(C)C(=O)CON MCULE-4400747484 [0,2,0,0,0,0|2,0,0]=4 2937 B7R0.5 CN(C)C(=O)OCCl MCULE-5918090090 [0,2,0,0,0,0|2,0,0]=4 2938 B7R0.5 CNCC(C)C(=O)O MCULE-4255373615 [0,2,0,0,0,0|1,0,0]=3 2939 B7R0.5 CNCC(C)C(=O)O MCULE-8076489545 [0,2,0,0,0,0|1,0,0]=3 2940 B7R0.5 CNCC(N)C(=O)O MCULE-4360775406 [0,2,0,0,0,0|1,0,0]=3 2941 B7R0.5 CNCC(N)C(=O)O MCULE-4913403405 [0,2,0,0,0,0|1,0,0]=3 2942 B7R0.5 CNC[C@H](N)C(=O)O MCULE-3465445123 [0,2,0,0,0,0|1,0,0]=3 2943 B7R0.5 CNC[C@H](N)C(=O)O MCULE-7309489523 [0,2,0,0,0,0|1,0,0]=3 2944 B7R0.5 CNC[C@H](N)C(=O)O MCULE-8418254346 [0,2,0,0,0,0|1,0,0]=3 2945 B7R0.5 CNC[C@H](N)C(=O)O MCULE-8752314299 [0,2,0,0,0,0|1,0,0]=3 2946 B7R0.5 COCC(=O)C(C)C MCULE-8251961368 [0,2,0,0,0,0|1,0,0]=3 2947 B7R0.5 COCC(=O)N(C)C MCULE-4175778673 [0,2,0,0,0,0|2,0,0]=4 2948 B7R0.5 COCC(Br)C(=O)O MCULE-2977381282 [0,2,0,0,0,0|1,0,0]=3 2949 B7R0.5 COCC(C)C(=O)C MCULE-5328927786 [0,2,0,0,0,0|1,0,0]=3 2950 B7R0.5 COCC(C)C(=O)O MCULE-9776415948 [0,2,0,0,0,0|0,0,0]=2 2951 B7R0.5 COCC(C)C(=S)N MCULE-6392999047 [0,2,0,0,0,0|1,1,0]=4 2952 B7R0.5 COCC(Cl)C(=O)O MCULE-1439107016 [0,2,0,0,0,0|1,0,0]=3 2953 B7R0.5 COCC(N)C(=O)N MCULE-2465830538 [0,2,0,0,0,0|2,0,0]=4 2954 B7R0.5 COCC(N)C(=O)N MCULE-6194410780 [0,2,0,0,0,0|2,0,0]=4 2955 B7R0.5 COCC(N)C(=O)O MCULE-4336440568 [0,2,0,0,0,0|1,0,0]=3 2956 B7R0.5 COCC(N)C(=O)O MCULE-4899043582 [0,2,0,0,0,0|1,0,0]=3 2957 B7R0.5 COCC(N)C(=O)O MCULE-6964823693 [0,2,0,0,0,0|1,0,0]=3 2958 B7R0.5 COCC(N)C(=O)O MCULE-7037870255 [0,2,0,0,0,0|1,0,0]=3 2959 B7R0.5 COCC(O)C(=O)O MCULE-3185498869 [0,2,0,0,0,0|0,0,0]=2 2960 B7R0.5 COC[C@@H](N)C(=O)O MCULE-1827086666 [0,2,0,0,0,0|1,0,0]=3 2961 B7R0.5 COC[C@@H](N)C(=O)O MCULE-4868456769 [0,2,0,0,0,0|1,0,0]=3 2962 B7R0.5 COC[C@@H](N)C(=O)O MCULE-5275247485 [0,2,0,0,0,0|1,0,0]=3 2963 B7R0.5 COC[C@@H](N)C(=O)O MCULE-7339751251 [0,2,0,0,0,0|1,0,0]=3 2964 B7R0.5 COC[C@H](N)C(=O)O MCULE-3719679803 [0,2,0,0,0,0|1,0,0]=3 2965 B7R0.5 COC[C@H](N)C(=O)O MCULE-4874807874 [0,2,0,0,0,0|1,0,0]=3 2966 B7R0.5 COC[C@H](N)C(=O)O MCULE-5303156917 [0,2,0,0,0,0|1,0,0]=3 2967 B7R0.5 COC[C@H](N)C(=O)O MCULE-8138564560 [0,2,0,0,0,0|1,0,0]=3 2968 B7R0.5 CON=C(C)C(=O)O MCULE-8599774085 [0,2,0,0,0,0|0,0,1]=3 2969 B7R0.5 CSCC(C)C(=O)O MCULE-7112130175 [0,2,0,0,0,0|0,1,0]=3 2970 B7R0.5 CSCC(N)C(=O)O MCULE-7668628251 [0,2,0,0,0,0|1,0,0]=3 2971 B7R0.5 CSC[C@H](N)C(=O)O MCULE-1178337776 [0,2,0,0,0,0|1,0,0]=3 2972 B7R0.5 CSC[C@H](N)C(=O)O MCULE-2769761337 [0,2,0,0,0,0|1,0,0]=3 2973 B7R0.5 C[C@@H](CCS)C(=O)O MCULE-2918304262 [0,2,0,0,0,0|0,1,0]=3 2974 B7R0.5 C[C@@H](N=[N+]=[N-])C(=O)O MCULE-2214426945 [0,2,0,0,0,0|1,0,0]=3 2975 B7R0.5 C[C@@H](N=[N+]=[N-])C(=O)O MCULE-6124505236 [0,2,0,0,0,0|1,0,0]=3 2976 B7R0.5 C[C@H](N=[N+]=[N-])C(=O)O MCULE-3591368470 [0,2,0,0,0,0|1,0,0]=3 2977 B7R0.5 C[C@H](N=[N+]=[N-])C(=O)O MCULE-5109353470 [0,2,0,0,0,0|1,0,0]=3 2978 B7R0.5 C[C@H](N=[N+]=[N-])C(=O)O MCULE-6277841083 [0,2,0,0,0,0|1,0,0]=3 2979 B7R0.5 C[C@H](N=[N+]=[N-])C(=O)O MCULE-7843278634 [0,2,0,0,0,0|1,0,0]=3 2980 B7R0.5 C[C@H](NC=O)C(=O)O MCULE-3824082361 [0,2,0,0,0,0|0,0,1]=3 2981 B7R0.5 C[C@H](NC=O)C(=O)O MCULE-5248110352 [0,2,0,0,0,0|0,0,1]=3 2982 B7R0.5 C[Se]CC(N)C(=O)O MCULE-3357465269 [0,2,0,0,0,0|1,0,0]=3 2983 B7R0.5 C[Se]CC(N)C(=O)O MCULE-7671606756 [0,2,0,0,0,0|1,0,0]=3 2984 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-5208306365 [0,2,0,0,0,0|1,0,0]=3 2985 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-6734478742 [0,2,0,0,0,0|1,0,0]=3 2986 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-6760615750 [0,2,0,0,0,0|1,0,0]=3 2987 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-7512025617 [0,2,0,0,0,0|1,0,0]=3 2988 B7R0.5 N#CCC(N)C(=O)O MCULE-4929926467 [0,2,0,0,0,0|1,0,0]=3 2989 B7R0.5 N#CC[C@H](N)C(=O)O MCULE-6294926701 [0,2,0,0,0,0|1,0,0]=3 2990 B7R0.5 N#CC[C@H](N)C(=O)O MCULE-6432920316 [0,2,0,0,0,0|1,0,0]=3 2991 B7R0.5 NC(=O)C(Br)CCBr MCULE-5008510444 [0,2,0,0,0,0|2,0,0]=4 2992 B7R0.5 NC(CCBr)C(=O)O MCULE-1900559475 [0,2,0,0,0,0|1,0,0]=3 2993 B7R0.5 NC(CCBr)C(=O)O MCULE-7293320576 [0,2,0,0,0,0|1,0,0]=3 2994 B7R0.5 NC(CCF)C(=O)O MCULE-5519595590 [0,2,0,0,0,0|1,0,0]=3 2995 B7R0.5 NC(CCF)C(=O)O MCULE-7293194855 [0,2,0,0,0,0|1,0,0]=3 2996 B7R0.5 NC(CCO)C(=O)O MCULE-1744838687 [0,2,0,0,0,0|1,0,0]=3 2997 B7R0.5 NC(CCO)C(=O)O MCULE-9642233758 [0,2,0,0,0,0|1,0,0]=3 2998 B7R0.5 NC(CCS)C(=O)O MCULE-8057550187 [0,2,0,0,0,0|1,0,0]=3 2999 B7R0.5 NC(CCS)C(=O)O MCULE-8117596001 [0,2,0,0,0,0|1,0,0]=3 3000 B7R0.5 NC(CNO)C(=O)O MCULE-2332662988 [0,2,0,0,0,0|1,0,0]=3 3001 B7R0.5 NCCC(F)C(=O)O MCULE-5068755002 [0,2,0,0,0,0|1,0,0]=3 3002 B7R0.5 NCCC(F)C(=O)O MCULE-9196695600 [0,2,0,0,0,0|1,0,0]=3 3003 B7R0.5 NCCC(N)C(=O)O MCULE-1239764966 [0,2,0,0,0,0|1,0,0]=3 3004 B7R0.5 NCCC(N)C(=O)O MCULE-2441123923 [0,2,0,0,0,0|1,0,0]=3 3005 B7R0.5 NCCC(N)C(=O)O MCULE-3966593369 [0,2,0,0,0,0|1,0,0]=3 3006 B7R0.5 NCCC(N)C(=O)O MCULE-4212078130 [0,2,0,0,0,0|1,0,0]=3 3007 B7R0.5 NCCC(N)C(=O)O MCULE-7713366571 [0,2,0,0,0,0|1,0,0]=3 3008 B7R0.5 NCCC(N)C(=O)O MCULE-8402131049 [0,2,0,0,0,0|1,0,0]=3 3009 B7R0.5 NCCC(N)C(=O)O MCULE-9198187552 [0,2,0,0,0,0|1,0,0]=3 3010 B7R0.5 NCCC(O)C(=O)O MCULE-3670080484 [0,2,0,0,0,0|0,0,0]=2 3011 B7R0.5 NCCC(O)C(=O)O MCULE-6540935279 [0,2,0,0,0,0|0,0,0]=2 3012 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-4000770618 [0,2,0,0,0,0|1,0,0]=3 3013 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-5775312784 [0,2,0,0,0,0|1,0,0]=3 3014 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-6259961704 [0,2,0,0,0,0|1,0,0]=3 3015 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-9871958374 [0,2,0,0,0,0|1,0,0]=3 3016 B7R0.5 NCC[C@@H](O)C(=O)O MCULE-9726912888 [0,2,0,0,0,0|0,0,0]=2 3017 B7R0.5 NCC[C@H](N)C(=O)O MCULE-1745978456 [0,2,0,0,0,0|1,0,0]=3 3018 B7R0.5 NCC[C@H](N)C(=O)O MCULE-3856066353 [0,2,0,0,0,0|1,0,0]=3 3019 B7R0.5 NCC[C@H](N)C(=O)O MCULE-3919721317 [0,2,0,0,0,0|1,0,0]=3 3020 B7R0.5 NCC[C@H](N)C(=O)O MCULE-5434373726 [0,2,0,0,0,0|1,0,0]=3 3021 B7R0.5 NCC[C@H](N)C(=O)O MCULE-5992578597 [0,2,0,0,0,0|1,0,0]=3 3022 B7R0.5 NCC[C@H](N)C(=O)O MCULE-6536533546 [0,2,0,0,0,0|1,0,0]=3 3023 B7R0.5 NCC[C@H](N)C(=O)O MCULE-6978035806 [0,2,0,0,0,0|1,0,0]=3 3024 B7R0.5 NCC[C@H](N)C(=O)O MCULE-8762011291 [0,2,0,0,0,0|1,0,0]=3 3025 B7R0.5 NCC[C@H](N)C(=O)O MCULE-9645608127 [0,2,0,0,0,0|1,0,0]=3 3026 B7R0.5 NCC[C@H](O)C(=O)O MCULE-3296998083 [0,2,0,0,0,0|0,0,0]=2 3027 B7R0.5 NCC[C@H](O)C(=O)O MCULE-7901866019 [0,2,0,0,0,0|0,0,0]=2 3028 B7R0.5 NOC[C@H](N)C(=O)O MCULE-1050292176 [0,2,0,0,0,0|1,0,0]=3 3029 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-2388269464 [0,2,0,0,0,0|1,0,0]=3 3030 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-2456796412 [0,2,0,0,0,0|1,0,0]=3 3031 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-6229782603 [0,2,0,0,0,0|1,0,0]=3 3032 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-8123446168 [0,2,0,0,0,0|1,0,0]=3 3033 B7R0.5 N[C@@H](CCO)C(=O)O MCULE-2370353784 [0,2,0,0,0,0|1,0,0]=3 3034 B7R0.5 N[C@@H](CCO)C(=O)O MCULE-4861747928 [0,2,0,0,0,0|1,0,0]=3 3035 B7R0.5 N[C@@H](CCS)C(=O)O MCULE-4021115723 [0,2,0,0,0,0|1,0,0]=3 3036 B7R0.5 N[C@@H](CCS)C(=O)O MCULE-7661321953 [0,2,0,0,0,0|1,0,0]=3 3037 B7R0.5 N[C@@H](CSS)C(=O)O MCULE-3029500977 [0,2,0,0,0,0|1,0,0]=3 3038 B7R0.5 N[C@H](CCBr)C(=O)O MCULE-1975650690 [0,2,0,0,0,0|1,0,0]=3 3039 B7R0.5 N[C@H](CCBr)C(=O)O MCULE-7245104465 [0,2,0,0,0,0|1,0,0]=3 3040 B7R0.5 N[C@H](CCO)C(=O)O MCULE-8005652100 [0,2,0,0,0,0|1,0,0]=3 3041 B7R0.5 N[C@H](CCO)C(=O)O MCULE-8613625039 [0,2,0,0,0,0|1,0,0]=3 3042 B7R0.5 N[C@H](CCS)C(=O)O MCULE-1110046008 [0,2,0,0,0,0|1,0,0]=3 3043 B7R0.5 N[C@H](CCS)C(=O)O MCULE-7556963357 [0,2,0,0,0,0|1,0,0]=3 3044 B7R0.5 O=C(Br)C(Br)CCBr MCULE-1496301616 [0,2,0,0,0,0|2,0,0]=4 3045 B7R0.5 O=C(Cl)C(Br)CCBr MCULE-9787639147 [0,2,0,0,0,0|2,0,0]=4 3046 B7R0.5 O=C(Cl)C(Br)CCCl MCULE-6400872582 [0,2,0,0,0,0|2,0,0]=4 3047 B7R0.5 O=C(O)C(Br)CCBr MCULE-3091819269 [0,2,0,0,0,0|1,0,0]=3 3048 B7R0.5 O=C(O)C(O)CCO MCULE-9096271794 [0,2,0,0,0,0|0,0,0]=2 3049 B7R0.5 [C@H](N)(CC#C)C(=O)O MCULE-7308061694 [0,2,0,0,0,0|1,0,0]=3 3050 B7R0.10 C/C(=N/O)/C(=N/O)/C MCULE-1134871085 [0,2,0,0,0,0|1,0,1]=4 3051 B7R0.10 C/C(=N\O)/C(=N/O)/C MCULE-1994287565 [0,2,0,0,0,0|1,0,1]=4 3052 B7R0.10 C/C(=N\O)/C(=N/O)/N MCULE-8105401552 [0,2,0,0,0,0|1,0,1]=4 3053 B7R0.10 C/C=C(/C)\C(=O)OC MCULE-6490619453 [0,2,0,0,0,0|1,0,1]=4 3054 B7R0.10 C/C=C(\C)/C(=O)OC MCULE-2521624465 [0,2,0,0,0,0|1,0,1]=4 3055 B7R0.10 C=C(CBr)C(=O)OC MCULE-7991860093 [0,2,0,0,0,0|1,0,1]=4 3056 B7R0.10 C=C(CC)C(=O)OC MCULE-2064145693 [0,2,0,0,0,0|1,0,1]=4 3057 B7R0.10 C=C(CCl)C(=O)OC MCULE-8356509776 [0,2,0,0,0,0|1,0,1]=4 3058 B7R0.10 C=C(CO)C(=O)OC MCULE-8888105984 [0,2,0,0,0,0|0,0,2]=4 3059 B7R0.10 C=C(OC)C(=O)OC MCULE-3256769494 [0,2,0,0,0,0|0,0,2]=4 3060 B7R0.10 C=CC(=O)N(C)OC MCULE-8945434721 [0,2,0,0,0,0|2,0,0]=4 3061 B7R0.10 C=CC(Cl)C(=O)OC MCULE-8371197919 [0,2,0,0,0,0|1,0,1]=4 3062 B7R0.10 C=CC(N)C(=O)OC MCULE-6449924585 [0,2,0,0,0,0|1,0,1]=4 3063 B7R0.10 C=CC(N)C(=O)OC MCULE-8138684326 [0,2,0,0,0,0|1,0,1]=4 3064 B7R0.10 C=CC(O)C(=O)OC MCULE-8475572887 [0,2,0,0,0,0|0,0,1]=3 3065 B7R0.10 CC(=NO)/C(=N/O)/N MCULE-5306915355 [0,2,0,0,0,0|1,0,1]=4 3066 B7R0.10 CC(=NO)C(=NO)C MCULE-8117737389 [0,2,0,0,0,0|1,0,1]=4 3067 B7R0.10 CC(CCl)C(=N)NO MCULE-4023987029 [0,2,0,0,0,0|2,0,0]=4 3068 B7R0.10 CC=C(Br)C(=O)OC MCULE-8210439839 [0,2,0,0,0,0|1,0,1]=4 3069 B7R0.10 CC=C(C)C(=O)OC MCULE-7431996149 [0,2,0,0,0,0|1,0,1]=4 3070 B7R0.10 CCC(=O)C(=NO)C MCULE-5669219787 [0,2,0,0,0,0|1,0,1]=4 3071 B7R0.10 CCC(=O)C(=O)OC MCULE-6526576267 [0,2,0,0,0,0|0,0,2]=4 3072 B7R0.10 CCC(=O)C(C)C#N MCULE-5937845036 [0,2,0,0,0,0|2,0,0]=4 3073 B7R0.10 CCC(=O)C(O)CC MCULE-7549931190 [0,2,0,0,0,0|1,0,0]=3 3074 B7R0.10 CCC(=O)N(C)OC MCULE-7450696534 [0,2,0,0,0,0|2,0,0]=4 3075 B7R0.10 CCC(Br)C(=O)NC MCULE-5335067622 [0,2,0,0,0,0|2,0,0]=4 3076 B7R0.10 CCC(Br)C(=O)OC MCULE-2335527491 [0,2,0,0,0,0|1,0,0]=3 3077 B7R0.10 CCC(C)/C(=N/O)/N MCULE-3220820796 [0,2,0,0,0,0|2,0,0]=4 3078 B7R0.10 CCC(C)/C(=N/O)/N MCULE-6860766298 [0,2,0,0,0,0|2,0,0]=4 3079 B7R0.10 CCC(C)C(=O)CBr MCULE-7022126762 [0,2,0,0,0,0|2,0,0]=4 3080 B7R0.10 CCC(C)C(=O)CCl MCULE-6800466655 [0,2,0,0,0,0|2,0,0]=4 3081 B7R0.10 CCC(C)C(=O)NC MCULE-5599095900 [0,2,0,0,0,0|2,0,0]=4 3082 B7R0.10 CCC(C)C(=O)NN MCULE-4144584435 [0,2,0,0,0,0|2,0,0]=4 3083 B7R0.10 CCC(C)C(=O)OC MCULE-9845747952 [0,2,0,0,0,0|1,0,0]=3 3084 B7R0.10 CCC(Cl)C(=O)OC MCULE-4773486285 [0,2,0,0,0,0|1,0,0]=3 3085 B7R0.10 CCC(N)C(=O)NC MCULE-7274856339 [0,2,0,0,0,0|2,0,0]=4 3086 B7R0.10 CCC(N)C(=O)NC MCULE-9912780545 [0,2,0,0,0,0|2,0,0]=4 3087 B7R0.10 CCC(N)C(=O)NO MCULE-9162328479 [0,2,0,0,0,0|1,0,0]=3 3088 B7R0.10 CCC(N)C(=O)OC MCULE-1569242271 [0,2,0,0,0,0|1,0,0]=3 3089 B7R0.10 CCC(N)C(=O)OC MCULE-3183954116 [0,2,0,0,0,0|1,0,0]=3 3090 B7R0.10 CCC(N)C(=O)OC MCULE-4045754117 [0,2,0,0,0,0|1,0,0]=3 3091 B7R0.10 CCC(N)C(=O)OC MCULE-5328984047 [0,2,0,0,0,0|1,0,0]=3 3092 B7R0.10 CCC(O)C(=O)OC MCULE-8768500574 [0,2,0,0,0,0|0,0,0]=2 3093 B7R0.10 CCC(O)C(C)CO MCULE-3930931405 [0,2,0,0,0,0|1,0,1]=4 3094 B7R0.10 CCC(O)C(C)CO MCULE-4472852672 [0,2,0,0,0,0|1,0,1]=4 3095 B7R0.10 CC[C@@H](Br)C(=O)OC MCULE-2676798410 [0,2,0,0,0,0|1,0,0]=3 3096 B7R0.10 CC[C@@H](N)C(=O)OC MCULE-6794991435 [0,2,0,0,0,0|1,0,0]=3 3097 B7R0.10 CC[C@@H](N)C(=O)OC MCULE-6825672331 [0,2,0,0,0,0|1,0,0]=3 3098 B7R0.10 CC[C@@H](N)C(=O)OC MCULE-7307663817 [0,2,0,0,0,0|1,0,0]=3 3099 B7R0.10 CC[C@@H](N)C(=O)OC MCULE-8717527808 [0,2,0,0,0,0|1,0,0]=3 3100 B7R0.10 CC[C@@H](O)C(=O)OC MCULE-6916010003 [0,2,0,0,0,0|0,0,0]=2 3101 B7R0.10 CC[C@@H](O)C(=O)OC MCULE-9376722018 [0,2,0,0,0,0|0,0,0]=2 3102 B7R0.10 CC[C@H](Br)C(=O)OC MCULE-5490793206 [0,2,0,0,0,0|1,0,0]=3 3103 B7R0.10 CC[C@H](N)C(=O)OC MCULE-2336816190 [0,2,0,0,0,0|1,0,0]=3 3104 B7R0.10 CC[C@H](N)C(=O)OC MCULE-3480066740 [0,2,0,0,0,0|1,0,0]=3 3105 B7R0.10 CC[C@H](N)C(=O)OC MCULE-4883083558 [0,2,0,0,0,0|1,0,0]=3 3106 B7R0.10 CC[C@H](N)C(=O)OC MCULE-6241184216 [0,2,0,0,0,0|1,0,0]=3 3107 B7R0.10 CC[C@H](O)C(=O)OC MCULE-5873092635 [0,2,0,0,0,0|0,0,0]=2 3108 B7R0.10 CC[C@H](O)C(=O)OC MCULE-8209874812 [0,2,0,0,0,0|0,0,0]=2 3109 B7R0.10 CNC(=O)C(=NO)C MCULE-5419636892 [0,2,0,0,0,0|1,0,1]=4 3110 B7R0.10 CNC(=O)C(=O)OC MCULE-1771479923 [0,2,0,0,0,0|0,0,2]=4 3111 B7R0.10 CNC(=O)C(C)CN MCULE-6853199259 [0,2,0,0,0,0|2,0,0]=4 3112 B7R0.10 CNC(=O)C(C)CN MCULE-9315732080 [0,2,0,0,0,0|2,0,0]=4 3113 B7R0.10 CNC(=O)C(C)NC MCULE-5788965533 [0,2,0,0,0,0|2,0,0]=4 3114 B7R0.10 CNC(=O)C(N)CO MCULE-1507161216 [0,2,0,0,0,0|2,0,0]=4 3115 B7R0.10 CNC(=O)C(O)CN MCULE-4650373222 [0,2,0,0,0,0|1,0,0]=3 3116 B7R0.10 CNC(=O)C(O)CN MCULE-8978952332 [0,2,0,0,0,0|1,0,0]=3 3117 B7R0.10 CNC(=O)[C@H](C)NC MCULE-4236618966 [0,2,0,0,0,0|2,0,0]=4 3118 B7R0.10 CNC(=O)[C@H](C)NC MCULE-9974564724 [0,2,0,0,0,0|2,0,0]=4 3119 B7R0.10 CNC(C)C(=O)OC MCULE-1524259113 [0,2,0,0,0,0|1,0,0]=3 3120 B7R0.10 CNC(C)C(=O)OC MCULE-2414146201 [0,2,0,0,0,0|1,0,0]=3 3121 B7R0.10 CNC(C)C(=O)OC MCULE-3192973771 [0,2,0,0,0,0|1,0,0]=3 3122 B7R0.10 CNC(C)C(=O)OC MCULE-9929257431 [0,2,0,0,0,0|1,0,0]=3 3123 B7R0.10 CN[C@@H](C)C(=O)OC MCULE-1271745038 [0,2,0,0,0,0|1,0,0]=3 3124 B7R0.10 CN[C@@H](C)C(=O)OC MCULE-3018199319 [0,2,0,0,0,0|1,0,0]=3 3125 B7R0.10 CN[C@H](C)C(=O)OC MCULE-3420184809 [0,2,0,0,0,0|1,0,0]=3 3126 B7R0.10 CN[C@H](C)C(=O)OC MCULE-3818454089 [0,2,0,0,0,0|1,0,0]=3 3127 B7R0.10 CN[C@H](C)C(=O)OC MCULE-8297775033 [0,2,0,0,0,0|1,0,0]=3 3128 B7R0.10 CN[C@H](C)C(=O)OC MCULE-9637759835 [0,2,0,0,0,0|1,0,0]=3 3129 B7R0.10 COC(=O)/C(=C/Br)/C MCULE-9213242172 [0,2,0,0,0,0|1,0,1]=4 3130 B7R0.10 COC(=O)/C(=N/O)/N MCULE-6279341489 [0,2,0,0,0,0|1,0,1]=4 3131 B7R0.10 COC(=O)C(=CBr)C MCULE-2452279572 [0,2,0,0,0,0|1,0,1]=4 3132 B7R0.10 COC(=O)C(=O)CBr MCULE-7596502094 [0,2,0,0,0,0|0,0,2]=4 3133 B7R0.10 COC(=O)C(=O)OC MCULE-5018268642 [0,2,0,0,0,0|0,0,2]=4 3134 B7R0.10 COC(=O)C(Br)CBr MCULE-7056048789 [0,2,0,0,0,0|1,0,0]=3 3135 B7R0.10 COC(=O)C(Br)CF MCULE-4013908914 [0,2,0,0,0,0|1,0,0]=3 3136 B7R0.10 COC(=O)C(Br)CO MCULE-1678765423 [0,2,0,0,0,0|1,0,0]=3 3137 B7R0.10 COC(=O)C(Br)CO MCULE-8437488397 [0,2,0,0,0,0|1,0,0]=3 3138 B7R0.10 COC(=O)C(Br)OC MCULE-5672396067 [0,2,0,0,0,0|1,0,0]=3 3139 B7R0.10 COC(=O)C(C)C#N MCULE-3764857061 [0,2,0,0,0,0|1,0,0]=3 3140 B7R0.10 COC(=O)C(C)C=O MCULE-8461987901 [0,2,0,0,0,0|0,0,1]=3 3141 B7R0.10 COC(=O)C(C)CBr MCULE-5887558960 [0,2,0,0,0,0|1,0,0]=3 3142 B7R0.10 COC(=O)C(C)CBr MCULE-9291707503 [0,2,0,0,0,0|1,0,0]=3 3143 B7R0.10 COC(=O)C(C)CN MCULE-8139628698 [0,2,0,0,0,0|1,0,0]=3 3144 B7R0.10 COC(=O)C(C)CN MCULE-8839292519 [0,2,0,0,0,0|1,0,0]=3 3145 B7R0.10 COC(=O)C(C)CO MCULE-1168600238 [0,2,0,0,0,0|0,0,0]=2 3146 B7R0.10 COC(=O)C(C)CO MCULE-9207150786 [0,2,0,0,0,0|0,0,0]=2 3147 B7R0.10 COC(=O)C(C)CS MCULE-2870797526 [0,2,0,0,0,0|0,1,0]=3 3148 B7R0.10 COC(=O)C(C)OC MCULE-3274761391 [0,2,0,0,0,0|0,0,0]=2 3149 B7R0.10 COC(=O)C(C)ON MCULE-1829014190 [0,2,0,0,0,0|0,0,0]=2 3150 B7R0.10 COC(=O)C(C)ON MCULE-4104938309 [0,2,0,0,0,0|0,0,0]=2 3151 B7R0.10 COC(=O)C(C)SC MCULE-6914204626 [0,2,0,0,0,0|0,1,0]=3 3152 B7R0.10 COC(=O)C(Cl)C=O MCULE-1767241035 [0,2,0,0,0,0|1,0,1]=4 3153 B7R0.10 COC(=O)C(Cl)CCl MCULE-3086208783 [0,2,0,0,0,0|1,0,0]=3 3154 B7R0.10 COC(=O)C(Cl)CO MCULE-9496750776 [0,2,0,0,0,0|1,0,0]=3 3155 B7R0.10 COC(=O)C(Cl)OC MCULE-8296320773 [0,2,0,0,0,0|1,0,0]=3 3156 B7R0.10 COC(=O)C(F)CN MCULE-3089053107 [0,2,0,0,0,0|1,0,0]=3 3157 B7R0.10 COC(=O)C(F)CN MCULE-5618581260 [0,2,0,0,0,0|1,0,0]=3 3158 B7R0.10 COC(=O)C(F)CO MCULE-2188518229 [0,2,0,0,0,0|1,0,0]=3 3159 B7R0.10 COC(=O)C(N)C#N MCULE-9016686741 [0,2,0,0,0,0|1,0,1]=4 3160 B7R0.10 COC(=O)C(N)CCl MCULE-2253564316 [0,2,0,0,0,0|1,0,0]=3 3161 B7R0.10 COC(=O)C(N)CCl MCULE-3851909822 [0,2,0,0,0,0|1,0,0]=3 3162 B7R0.10 COC(=O)C(N)CCl MCULE-4649966066 [0,2,0,0,0,0|1,0,0]=3 3163 B7R0.10 COC(=O)C(N)CCl MCULE-9193407415 [0,2,0,0,0,0|1,0,0]=3 3164 B7R0.10 COC(=O)C(N)CF MCULE-2617218019 [0,2,0,0,0,0|1,0,0]=3 3165 B7R0.10 COC(=O)C(N)CF MCULE-3926207531 [0,2,0,0,0,0|1,0,0]=3 3166 B7R0.10 COC(=O)C(N)CN MCULE-7949926265 [0,2,0,0,0,0|1,0,0]=3 3167 B7R0.10 COC(=O)C(N)CN MCULE-9215212479 [0,2,0,0,0,0|1,0,0]=3 3168 B7R0.10 COC(=O)C(N)CO MCULE-1874204534 [0,2,0,0,0,0|1,0,0]=3 3169 B7R0.10 COC(=O)C(N)CO MCULE-1907797317 [0,2,0,0,0,0|1,0,0]=3 3170 B7R0.10 COC(=O)C(N)CO MCULE-3851022091 [0,2,0,0,0,0|1,0,0]=3 3171 B7R0.10 COC(=O)C(N)CO MCULE-9875856930 [0,2,0,0,0,0|1,0,0]=3 3172 B7R0.10 COC(=O)C(N)CS MCULE-5131519605 [0,2,0,0,0,0|1,0,0]=3 3173 B7R0.10 COC(=O)C(N)CS MCULE-5561205392 [0,2,0,0,0,0|1,0,0]=3 3174 B7R0.10 COC(=O)C(N)CS MCULE-9291008448 [0,2,0,0,0,0|1,0,0]=3 3175 B7R0.10 COC(=O)C(N)CS MCULE-9963292576 [0,2,0,0,0,0|1,0,0]=3 3176 B7R0.10 COC(=O)C(O)C#N MCULE-2296440580 [0,2,0,0,0,0|0,0,1]=3 3177 B7R0.10 COC(=O)C(O)CCl MCULE-1480405341 [0,2,0,0,0,0|0,0,0]=2 3178 B7R0.10 COC(=O)C(O)CN MCULE-1003241246 [0,2,0,0,0,0|0,0,0]=2 3179 B7R0.10 COC(=O)C(O)CN MCULE-9006804473 [0,2,0,0,0,0|0,0,0]=2 3180 B7R0.10 COC(=O)C(O)CO MCULE-1234820163 [0,2,0,0,0,0|0,0,0]=2 3181 B7R0.10 COC(=O)C(O)CO MCULE-2142801284 [0,2,0,0,0,0|0,0,0]=2 3182 B7R0.10 COC(=O)C(O)OC MCULE-5465190164 [0,2,0,0,0,0|0,0,0]=2 3183 B7R0.10 COC(=O)N(C)CCl MCULE-8717315487 [0,2,0,0,0,0|2,0,0]=4 3184 B7R0.10 COC(=O)[C@@H](Br)CO MCULE-8075978888 [0,2,0,0,0,0|1,0,0]=3 3185 B7R0.10 COC(=O)[C@@H](Br)CO MCULE-8903256620 [0,2,0,0,0,0|1,0,0]=3 3186 B7R0.10 COC(=O)[C@@H](C)CBr MCULE-5530851181 [0,2,0,0,0,0|1,0,0]=3 3187 B7R0.10 COC(=O)[C@@H](C)CBr MCULE-8885621324 [0,2,0,0,0,0|1,0,0]=3 3188 B7R0.10 COC(=O)[C@@H](C)CN MCULE-7205157481 [0,2,0,0,0,0|1,0,0]=3 3189 B7R0.10 COC(=O)[C@@H](C)CN MCULE-9885299909 [0,2,0,0,0,0|1,0,0]=3 3190 B7R0.10 COC(=O)[C@@H](C)CO MCULE-6738074317 [0,2,0,0,0,0|0,0,0]=2 3191 B7R0.10 COC(=O)[C@@H](C)CO MCULE-9697255968 [0,2,0,0,0,0|0,0,0]=2 3192 B7R0.10 COC(=O)[C@@H](F)CN MCULE-2209395189 [0,2,0,0,0,0|1,0,0]=3 3193 B7R0.10 COC(=O)[C@@H](F)CN MCULE-2951378763 [0,2,0,0,0,0|1,0,0]=3 3194 B7R0.10 COC(=O)[C@@H](F)CN MCULE-4599856185 [0,2,0,0,0,0|1,0,0]=3 3195 B7R0.10 COC(=O)[C@@H](F)CN MCULE-5571914049 [0,2,0,0,0,0|1,0,0]=3 3196 B7R0.10 COC(=O)[C@@H](N)CCl MCULE-1649684135 [0,2,0,0,0,0|1,0,0]=3 3197 B7R0.10 COC(=O)[C@@H](N)CCl MCULE-4803192908 [0,2,0,0,0,0|1,0,0]=3 3198 B7R0.10 COC(=O)[C@@H](N)CCl MCULE-6514033613 [0,2,0,0,0,0|1,0,0]=3 3199 B7R0.10 COC(=O)[C@@H](N)CCl MCULE-7997387565 [0,2,0,0,0,0|1,0,0]=3 3200 B7R0.10 COC(=O)[C@@H](N)CN MCULE-4407014418 [0,2,0,0,0,0|1,0,0]=3 3201 B7R0.10 COC(=O)[C@@H](N)CN MCULE-4854066134 [0,2,0,0,0,0|1,0,0]=3 3202 B7R0.10 COC(=O)[C@@H](N)CN MCULE-5060962890 [0,2,0,0,0,0|1,0,0]=3 3203 B7R0.10 COC(=O)[C@@H](N)CN MCULE-8572432694 [0,2,0,0,0,0|1,0,0]=3 3204 B7R0.10 COC(=O)[C@@H](N)CO MCULE-2171593224 [0,2,0,0,0,0|1,0,0]=3 3205 B7R0.10 COC(=O)[C@@H](N)CO MCULE-3393088985 [0,2,0,0,0,0|1,0,0]=3 3206 B7R0.10 COC(=O)[C@@H](N)CO MCULE-5476910845 [0,2,0,0,0,0|1,0,0]=3 3207 B7R0.10 COC(=O)[C@@H](N)CO MCULE-9984439264 [0,2,0,0,0,0|1,0,0]=3 3208 B7R0.10 COC(=O)[C@@H](N)CS MCULE-2560943261 [0,2,0,0,0,0|1,0,0]=3 3209 B7R0.10 COC(=O)[C@@H](N)CS MCULE-3682774490 [0,2,0,0,0,0|1,0,0]=3 3210 B7R0.10 COC(=O)[C@@H](N)CS MCULE-6613123984 [0,2,0,0,0,0|1,0,0]=3 3211 B7R0.10 COC(=O)[C@@H](N)CS MCULE-7354291938 [0,2,0,0,0,0|1,0,0]=3 3212 B7R0.10 COC(=O)[C@@H](O)CN MCULE-1265508864 [0,2,0,0,0,0|0,0,0]=2 3213 B7R0.10 COC(=O)[C@@H](O)CN MCULE-2334791448 [0,2,0,0,0,0|0,0,0]=2 3214 B7R0.10 COC(=O)[C@@H](O)CN MCULE-6207278824 [0,2,0,0,0,0|0,0,0]=2 3215 B7R0.10 COC(=O)[C@@H](O)CN MCULE-6634004594 [0,2,0,0,0,0|0,0,0]=2 3216 B7R0.10 COC(=O)[C@@H](O)CO MCULE-3655137528 [0,2,0,0,0,0|0,0,0]=2 3217 B7R0.10 COC(=O)[C@@H](O)CO MCULE-5801355812 [0,2,0,0,0,0|0,0,0]=2 3218 B7R0.10 COC(=O)[C@H](Br)CO MCULE-8230787734 [0,2,0,0,0,0|1,0,0]=3 3219 B7R0.10 COC(=O)[C@H](C)C=O MCULE-9841785503 [0,2,0,0,0,0|0,0,1]=3 3220 B7R0.10 COC(=O)[C@H](C)CBr MCULE-3829202918 [0,2,0,0,0,0|1,0,0]=3 3221 B7R0.10 COC(=O)[C@H](C)CBr MCULE-4931737781 [0,2,0,0,0,0|1,0,0]=3 3222 B7R0.10 COC(=O)[C@H](C)CN MCULE-4694019206 [0,2,0,0,0,0|1,0,0]=3 3223 B7R0.10 COC(=O)[C@H](C)CN MCULE-9113866081 [0,2,0,0,0,0|1,0,0]=3 3224 B7R0.10 COC(=O)[C@H](C)CO MCULE-5719676432 [0,2,0,0,0,0|0,0,0]=2 3225 B7R0.10 COC(=O)[C@H](C)CO MCULE-8479546806 [0,2,0,0,0,0|0,0,0]=2 3226 B7R0.10 COC(=O)[C@H](C)OC MCULE-3095326114 [0,2,0,0,0,0|0,0,0]=2 3227 B7R0.10 COC(=O)[C@H](N)CCl MCULE-1199425954 [0,2,0,0,0,0|1,0,0]=3 3228 B7R0.10 COC(=O)[C@H](N)CCl MCULE-2611523756 [0,2,0,0,0,0|1,0,0]=3 3229 B7R0.10 COC(=O)[C@H](N)CCl MCULE-6503487325 [0,2,0,0,0,0|1,0,0]=3 3230 B7R0.10 COC(=O)[C@H](N)CCl MCULE-8714444412 [0,2,0,0,0,0|1,0,0]=3 3231 B7R0.10 COC(=O)[C@H](N)CO MCULE-4463451892 [0,2,0,0,0,0|1,0,0]=3 3232 B7R0.10 COC(=O)[C@H](N)CO MCULE-5622938569 [0,2,0,0,0,0|1,0,0]=3 3233 B7R0.10 COC(=O)[C@H](N)CO MCULE-6021580541 [0,2,0,0,0,0|1,0,0]=3 3234 B7R0.10 COC(=O)[C@H](N)CO MCULE-8237708167 [0,2,0,0,0,0|1,0,0]=3 3235 B7R0.10 COC(=O)[C@H](N)CS MCULE-1845308816 [0,2,0,0,0,0|1,0,0]=3 3236 B7R0.10 COC(=O)[C@H](N)CS MCULE-3480554390 [0,2,0,0,0,0|1,0,0]=3 3237 B7R0.10 COC(=O)[C@H](N)CS MCULE-4432617084 [0,2,0,0,0,0|1,0,0]=3 3238 B7R0.10 COC(=O)[C@H](N)CS MCULE-5747217193 [0,2,0,0,0,0|1,0,0]=3 3239 B7R0.10 COC(=O)[C@H](O)CN MCULE-5902729244 [0,2,0,0,0,0|0,0,0]=2 3240 B7R0.10 COC(=O)[C@H](O)CN MCULE-9252373981 [0,2,0,0,0,0|0,0,0]=2 3241 B7R0.10 COC(=O)[C@H](O)CO MCULE-4219956218 [0,2,0,0,0,0|0,0,0]=2 3242 B7R0.10 COC(=O)[C@H](O)CO MCULE-8891571940 [0,2,0,0,0,0|0,0,0]=2 3243 B7R0.10 COC(C)/C(=N/O)/N MCULE-3009628521 [0,2,0,0,0,0|1,0,0]=3 3244 B7R0.10 COC(C)C(=O)NN MCULE-7263059210 [0,2,0,0,0,0|1,0,0]=3 3245 B7R0.10 COC(C)C(O)C#N MCULE-7134393596 [0,2,0,0,0,0|1,0,1]=4 3246 B7R0.10 CON(C)C(=O)CBr MCULE-2482429241 [0,2,0,0,0,0|2,0,0]=4 3247 B7R0.10 CON(C)C(=O)CCl MCULE-1502732282 [0,2,0,0,0,0|2,0,0]=4 3248 B7R0.10 CON(C)C(=O)CF MCULE-9037247053 [0,2,0,0,0,0|2,0,0]=4 3249 B7R0.10 CON(C)C(=O)CN MCULE-1461344814 [0,2,0,0,0,0|2,0,0]=4 3250 B7R0.10 CON(C)C(=O)CN MCULE-5305104539 [0,2,0,0,0,0|2,0,0]=4 3251 B7R0.10 NC(CCl)C(=O)NO MCULE-8256545065 [0,2,0,0,0,0|1,0,0]=3 3252 B7R0.10 NC[C@H](O)[C@H](O)CN MCULE-1073397630 [0,2,0,0,0,0|1,0,1]=4 3253 B7R0.10 NC[C@H](O)[C@H](O)CN MCULE-8068595970 [0,2,0,0,0,0|1,0,1]=4 3254 B7R0.10 NNC(=O)C(N)CO MCULE-3324075598 [0,2,0,0,0,0|2,0,0]=4 3255 B7R0.10 NNC(=O)C(N)CO MCULE-6651241883 [0,2,0,0,0,0|2,0,0]=4 3256 B7R0.10 NNC(=O)[C@@H](N)CS MCULE-9375468264 [0,2,0,0,0,0|2,0,0]=4 3257 B7R0.10 O=C(CO)C(O)CO MCULE-9818197491 [0,2,0,0,0,0|0,0,0]=2 3258 B7R0.10 O=C(CO)[C@@H](O)CO MCULE-8306776225 [0,2,0,0,0,0|0,0,0]=2 3259 B7R0.10 O=C(CO)[C@@H](O)CO MCULE-8666498937 [0,2,0,0,0,0|0,0,0]=2 3260 B7R0.10 O=C(CO)[C@H](O)CO MCULE-7828531161 [0,2,0,0,0,0|0,0,0]=2 3261 B7R0.10 O=CC(O)C(O)C=O MCULE-3439629952 [0,2,0,0,0,0|0,0,2]=4 3262 B7R0.10 O=CC(O)C(O)CO MCULE-9564469242 [0,2,0,0,0,0|0,0,1]=3 3263 B7R0.10 O=C[C@@H](O)[C@@H](O)CO MCULE-3532911413 [0,2,0,0,0,0|0,0,1]=3 3264 B7R0.10 O=C[C@@H](O)[C@@H](O)CO MCULE-5707669784 [0,2,0,0,0,0|0,0,1]=3 3265 B7R0.10 O=C[C@@H](O)[C@H](O)CO MCULE-4902023669 [0,2,0,0,0,0|0,0,1]=3 3266 B7R0.10 O=C[C@H](O)[C@@H](O)CO MCULE-5975565699 [0,2,0,0,0,0|0,0,1]=3 3267 B7R0.10 O=C[C@H](O)[C@H](O)CO MCULE-3036594515 [0,2,0,0,0,0|0,0,1]=3 3268 B7R0.10 O=C[C@H](O)[C@H](O)CO MCULE-5412566780 [0,2,0,0,0,0|0,0,1]=3 3269 B7R0.10 OC(CBr)C(O)CBr MCULE-4608370293 [0,2,0,0,0,0|1,0,1]=4 3270 B7R0.10 OC(CCl)C(O)CCl MCULE-9282587936 [0,2,0,0,0,0|1,0,1]=4 3271 B7R0.10 OC(CS)C(O)CS MCULE-7432075835 [0,2,0,0,0,0|0,1,1]=4 3272 B7R0.10 OCC(O)C(O)CO MCULE-9009953851 [0,2,0,0,0,0|0,0,2]=4 3273 B7R0.10 OC[C@@H](O)[C@H](O)CO MCULE-1593828237 [0,2,0,0,0,0|0,0,2]=4 3274 B7R0.10 OC[C@@H](O)[C@H](O)CO MCULE-7577661973 [0,2,0,0,0,0|0,0,2]=4 3275 B7R0.10 OC[C@H](O)[C@@H](O)CO MCULE-7306394407 [0,2,0,0,0,0|0,0,2]=4 3276 B7R0.10 OC[C@H](O)[C@@H](O)CO MCULE-8013265935 [0,2,0,0,0,0|0,0,2]=4 3277 B7R0.10 OC[C@H](O)[C@H](O)CO MCULE-6886999157 [0,2,0,0,0,0|0,0,2]=4 3278 B7R0.10 O[C@@H](CS)[C@@H](O)CS MCULE-6947486648 [0,2,0,0,0,0|0,1,1]=4 3279 B7R0.10 O[C@@H](CS)[C@@H](O)CS MCULE-8883019394 [0,2,0,0,0,0|0,1,1]=4 3280 B7R0.10 O[C@H](CBr)[C@H](O)CBr MCULE-5914686116 [0,2,0,0,0,0|1,0,1]=4 3281 B7R0.10 O[C@H](CCl)[C@@H](O)CCl MCULE-8266433235 [0,2,0,0,0,0|1,0,1]=4 3282 B7R0.10 O[C@H](CS)[C@@H](O)CS MCULE-3618084743 [0,2,0,0,0,0|0,1,1]=4 3283 B7R0.10 O[C@H](CS)[C@H](O)CS MCULE-3329450277 [0,2,0,0,0,0|0,1,1]=4 3284 B7R0.10 O[C@H](CS)[C@H](O)CS MCULE-9065556670 [0,2,0,0,0,0|0,1,1]=4 3285 B7R0.10 O[C@H](CS)[C@H](O)CS MCULE-9666091728 [0,2,0,0,0,0|0,1,1]=4 3286 B7R0.10 [C@@H](C)(NC)C(=O)OC MCULE-1799930850 [0,2,0,0,0,0|1,0,0]=3 3287 B7R0.10 [C@@H](C)(NC)C(=O)OC MCULE-5931188957 [0,2,0,0,0,0|1,0,0]=3 3288 B7R0.13 C#CC(C)(C)C(=O)O MCULE-4971472343 [0,2,0,0,0,0|1,0,0]=3 3289 B7R0.13 C=CC(C)(C)C(=O)O MCULE-4029204507 [0,2,0,0,0,0|1,0,0]=3 3290 B7R0.13 C=CC(C)(O)C(=O)O MCULE-2362688567 [0,2,0,0,0,0|0,0,0]=2 3291 B7R0.13 C=C[C@@](C)(N)C(=O)O MCULE-4703482436 [0,2,0,0,0,0|1,0,0]=3 3292 B7R0.13 CC(=O)C(C)(C)C#N MCULE-1850672063 [0,2,0,0,0,0|2,0,0]=4 3293 B7R0.13 CC(=O)C(C)(C)CO MCULE-7885820738 [0,2,0,0,0,0|1,0,0]=3 3294 B7R0.13 CC(=O)C(F)(F)CBr MCULE-6144124710 [0,2,0,0,0,0|2,0,0]=4 3295 B7R0.13 CC(Br)(CBr)C(=O)O MCULE-1859698457 [0,2,0,0,0,0|1,0,0]=3 3296 B7R0.13 CC(Br)(CO)N(=O)=O MCULE-7018173037 [0,2,0,0,0,0|1,0,1]=4 3297 B7R0.13 CC(C)(C#N)C(=O)N MCULE-9366288195 [0,2,0,0,0,0|2,0,0]=4 3298 B7R0.13 CC(C)(C#N)C(=O)O MCULE-8297007076 [0,2,0,0,0,0|1,0,0]=3 3299 B7R0.13 CC(C)(CBr)C(=O)Cl MCULE-2173837084 [0,2,0,0,0,0|2,0,0]=4 3300 B7R0.13 CC(C)(CBr)C(=O)F MCULE-3596602192 [0,2,0,0,0,0|2,0,0]=4 3301 B7R0.13 CC(C)(CBr)C(=O)N MCULE-5685972374 [0,2,0,0,0,0|2,0,0]=4 3302 B7R0.13 CC(C)(CBr)C(=O)O MCULE-2715950010 [0,2,0,0,0,0|1,0,0]=3 3303 B7R0.13 CC(C)(CCl)C(=O)O MCULE-2346120215 [0,2,0,0,0,0|1,0,0]=3 3304 B7R0.13 CC(C)(CF)C(=O)O MCULE-5866229087 [0,2,0,0,0,0|1,0,0]=3 3305 B7R0.13 CC(C)(CN)C(=O)N MCULE-6885361465 [0,2,0,0,0,0|2,0,0]=4 3306 B7R0.13 CC(C)(CN)C(=O)O MCULE-1750685187 [0,2,0,0,0,0|1,0,0]=3 3307 B7R0.13 CC(C)(CN)C(=O)O MCULE-7138204669 [0,2,0,0,0,0|1,0,0]=3 3308 B7R0.13 CC(C)(CO)C(=O)O MCULE-8700273400 [0,2,0,0,0,0|0,0,0]=2 3309 B7R0.13 CC(C)(CO)N(=O)=O MCULE-6787663159 [0,2,0,0,0,0|1,0,1]=4 3310 B7R0.13 CC(C)(ON)C(=O)O MCULE-3628409953 [0,2,0,0,0,0|0,0,0]=2 3311 B7R0.13 CC(C)(ON)C(=O)O MCULE-4840137554 [0,2,0,0,0,0|0,0,0]=2 3312 B7R0.13 CC(Cl)(CCl)C(=O)O MCULE-9297172670 [0,2,0,0,0,0|1,0,0]=3 3313 B7R0.13 CC(N)(CO)C(=O)O MCULE-5973815630 [0,2,0,0,0,0|0,0,0]=2 3314 B7R0.13 CC(N)(CO)C(=O)O MCULE-6877149014 [0,2,0,0,0,0|0,0,0]=2 3315 B7R0.13 CC(N)(CS)C(=O)O MCULE-4669241619 [0,2,0,0,0,0|0,1,0]=3 3316 B7R0.13 CC(N)(CS)C(=O)O MCULE-8539612367 [0,2,0,0,0,0|0,1,0]=3 3317 B7R0.13 CC(O)(CBr)C(=O)O MCULE-4224343890 [0,2,0,0,0,0|0,0,0]=2 3318 B7R0.13 CC(O)(CBr)C(=O)O MCULE-5597565903 [0,2,0,0,0,0|0,0,0]=2 3319 B7R0.13 CC(O)(CO)C(=O)O MCULE-5566145169 [0,2,0,0,0,0|0,0,0]=2 3320 B7R0.13 CC(O)C(C)(C)CO MCULE-1064066796 [0,2,0,0,0,0|1,0,1]=4 3321 B7R0.13 CCC(C)(Br)C(=O)Br MCULE-8711399189 [0,2,0,0,0,0|2,0,0]=4 3322 B7R0.13 CCC(C)(Br)C(=O)O MCULE-2564629085 [0,2,0,0,0,0|1,0,0]=3 3323 B7R0.13 CCC(C)(C)C(=O)C MCULE-3647111938 [0,2,0,0,0,0|2,0,0]=4 3324 B7R0.13 CCC(C)(C)C(=O)Cl MCULE-7950206740 [0,2,0,0,0,0|2,0,0]=4 3325 B7R0.13 CCC(C)(C)C(=O)O MCULE-2539552186 [0,2,0,0,0,0|1,0,0]=3 3326 B7R0.13 CCC(C)(N)C(=O)N MCULE-6399521661 [0,2,0,0,0,0|2,0,0]=4 3327 B7R0.13 CCC(C)(N)C(=O)O MCULE-4944905519 [0,2,0,0,0,0|1,0,0]=3 3328 B7R0.13 CCC(C)(N)C(=O)O MCULE-8684474701 [0,2,0,0,0,0|1,0,0]=3 3329 B7R0.13 CCC(C)(N)C(=O)O MCULE-9925925283 [0,2,0,0,0,0|1,0,0]=3 3330 B7R0.13 CCC(C)(O)C(=O)C MCULE-5532598723 [0,2,0,0,0,0|1,0,0]=3 3331 B7R0.13 CCC(C)(O)C(=O)Cl MCULE-2893490565 [0,2,0,0,0,0|1,0,0]=3 3332 B7R0.13 CCC(C)(O)C(=O)N MCULE-7082405574 [0,2,0,0,0,0|1,0,0]=3 3333 B7R0.13 CCC(C)(O)C(=O)O MCULE-1193062860 [0,2,0,0,0,0|0,0,0]=2 3334 B7R0.13 CCC(C)(O)C(C)O MCULE-5475978311 [0,2,0,0,0,0|1,0,1]=4 3335 B7R0.13 CCC(F)(Br)C(=O)O MCULE-8280947459 [0,2,0,0,0,0|1,0,0]=3 3336 B7R0.13 CCC(F)(F)C(=O)O MCULE-3712601150 [0,2,0,0,0,0|1,0,0]=3 3337 B7R0.13 CCC(F)(F)C(=O)[O-] MCULE-3572838764 [0,2,0,0,0,0|1,0,1]=4 3338 B7R0.13 CC[C@@](C)(N)C(=O)O MCULE-4076270773 [0,2,0,0,0,0|1,0,0]=3 3339 B7R0.13 CC[C@@](C)(N)C(=O)O MCULE-4696366287 [0,2,0,0,0,0|1,0,0]=3 3340 B7R0.13 CC[C@@](C)(N)C(=O)O MCULE-7243626223 [0,2,0,0,0,0|1,0,0]=3 3341 B7R0.13 CC[C@@](C)(N)C(=O)O MCULE-8928070809 [0,2,0,0,0,0|1,0,0]=3 3342 B7R0.13 CC[C@](C)(N)C(=O)O MCULE-1912860688 [0,2,0,0,0,0|1,0,0]=3 3343 B7R0.13 CC[C@](C)(N)C(=O)O MCULE-3601494140 [0,2,0,0,0,0|1,0,0]=3 3344 B7R0.13 CC[C@](C)(N)C(=O)O MCULE-4886902354 [0,2,0,0,0,0|1,0,0]=3 3345 B7R0.13 CC[C@](C)(N)C(=O)O MCULE-8271138085 [0,2,0,0,0,0|1,0,0]=3 3346 B7R0.13 CC[C@](C)(O)C(=O)O MCULE-3871181536 [0,2,0,0,0,0|0,0,0]=2 3347 B7R0.13 CNC(C)(C)C(=O)N MCULE-6402593977 [0,2,0,0,0,0|2,0,0]=4 3348 B7R0.13 CNC(C)(C)C(=O)N MCULE-9381926111 [0,2,0,0,0,0|2,0,0]=4 3349 B7R0.13 CNC(C)(C)C(=O)O MCULE-7551663553 [0,2,0,0,0,0|1,0,0]=3 3350 B7R0.13 CNC(C)(C)C(=O)O MCULE-9856262226 [0,2,0,0,0,0|1,0,0]=3 3351 B7R0.13 COC(C)(C)C(=O)C MCULE-2989232242 [0,2,0,0,0,0|1,0,0]=3 3352 B7R0.13 COC(C)(C)C(=O)N MCULE-4305162688 [0,2,0,0,0,0|1,0,0]=3 3353 B7R0.13 COC(C)(C)C(=O)O MCULE-6977996423 [0,2,0,0,0,0|0,0,0]=2 3354 B7R0.13 COC(C)(C)C(=S)N MCULE-5301285466 [0,2,0,0,0,0|1,1,0]=4 3355 B7R0.13 CSC(C)(C)C(=O)O MCULE-1032417728 [0,2,0,0,0,0|0,1,0]=3 3356 B7R0.13 C[C@@](N)(CO)C(=O)O MCULE-2146963065 [0,2,0,0,0,0|0,0,0]=2 3357 B7R0.13 C[C@@](N)(CO)C(=O)O MCULE-7622447669 [0,2,0,0,0,0|0,0,0]=2 3358 B7R0.13 C[C@@](N)(CS)C(=O)O MCULE-2627761655 [0,2,0,0,0,0|0,1,0]=3 3359 B7R0.13 C[C@@](N)(CS)C(=O)O MCULE-2887268414 [0,2,0,0,0,0|0,1,0]=3 3360 B7R0.13 C[C@@](N)(CS)C(=O)O MCULE-6190318443 [0,2,0,0,0,0|0,1,0]=3 3361 B7R0.13 C[C@@](N)(CS)C(=O)O MCULE-8033021501 [0,2,0,0,0,0|0,1,0]=3 3362 B7R0.13 C[C@@](O)(CBr)C(=O)O MCULE-2382162129 [0,2,0,0,0,0|0,0,0]=2 3363 B7R0.13 C[C@@](O)(CBr)C(=O)O MCULE-7944927738 [0,2,0,0,0,0|0,0,0]=2 3364 B7R0.13 C[C@](N)(CO)C(=O)O MCULE-2760852916 [0,2,0,0,0,0|0,0,0]=2 3365 B7R0.13 C[C@](N)(CO)C(=O)O MCULE-4734633152 [0,2,0,0,0,0|0,0,0]=2 3366 B7R0.13 C[C@](N)(CS)C(=O)O MCULE-1527310768 [0,2,0,0,0,0|0,1,0]=3 3367 B7R0.13 C[C@](N)(CS)C(=O)O MCULE-4351926054 [0,2,0,0,0,0|0,1,0]=3 3368 B7R0.13 C[C@](N)(CS)C(=O)O MCULE-6261566257 [0,2,0,0,0,0|0,1,0]=3 3369 B7R0.13 C[C@](N)(CS)C(=O)O MCULE-9035242130 [0,2,0,0,0,0|0,1,0]=3 3370 B7R0.13 C[C@](O)(CBr)C(=O)O MCULE-1143505996 [0,2,0,0,0,0|0,0,0]=2 3371 B7R0.13 C[C@](O)(CBr)C(=O)O MCULE-7898456152 [0,2,0,0,0,0|0,0,0]=2 3372 B7R0.13 NCC(F)(F)C(=O)N MCULE-1522301920 [0,2,0,0,0,0|2,0,0]=4 3373 B7R0.13 NCC(F)(F)C(=O)N MCULE-2239490291 [0,2,0,0,0,0|2,0,0]=4 3374 B7R0.13 NCC(F)(F)C(=O)O MCULE-3688560337 [0,2,0,0,0,0|1,0,0]=3 3375 B7R0.13 NCC(F)(F)C(=O)O MCULE-9077054646 [0,2,0,0,0,0|1,0,0]=3 3376 B7R0.13 O=C(Cl)C(F)(Cl)CCl MCULE-8770305626 [0,2,0,0,0,0|2,0,0]=4 3377 B7R0.13 O=C(O)C(Cl)(Cl)CCl MCULE-4394770604 [0,2,0,0,0,0|1,0,0]=3 3378 B7R0.13 O=C(O)C(F)(F)CO MCULE-4913704401 [0,2,0,0,0,0|1,0,0]=3 3379 B7R0.14 C#CC(=O)C(C)(C)C MCULE-4014843108 [0,2,0,0,0,0|2,0,0]=4 3380 B7R0.14 C/C(=N\O)/C(C)(C)C MCULE-9144150659 [0,2,0,0,0,0|2,0,0]=4 3381 B7R0.14 C/C(=N\O)/C(C)(C)O MCULE-4351772949 [0,2,0,0,0,0|1,0,0]=3 3382 B7R0.14 C=C(C=O)C(C)(C)C MCULE-1459556575 [0,2,0,0,0,0|2,0,0]=4 3383 B7R0.14 C=CC(=O)C(C)(C)C MCULE-2078206387 [0,2,0,0,0,0|2,0,0]=4 3384 B7R0.14 CC(=NO)C(C)(C)C MCULE-3197862590 [0,2,0,0,0,0|2,0,0]=4 3385 B7R0.14 CC(=NO)C(C)(C)O MCULE-8500175274 [0,2,0,0,0,0|1,0,0]=3 3386 B7R0.14 CC(C)(Br)C(=O)CBr MCULE-1166951923 [0,2,0,0,0,0|2,0,0]=4 3387 B7R0.14 CC(C)(C)/C(=N/O)/N MCULE-2323239146 [0,2,0,0,0,0|2,0,0]=4 3388 B7R0.14 CC(C)(C)C(=O)C#N MCULE-1278115423 [0,2,0,0,0,0|2,0,0]=4 3389 B7R0.14 CC(C)(C)C(=O)C=O MCULE-6968249228 [0,2,0,0,0,0|1,0,1]=4 3390 B7R0.14 CC(C)(C)C(=O)CBr MCULE-9372273167 [0,2,0,0,0,0|2,0,0]=4 3391 B7R0.14 CC(C)(C)C(=O)CCl MCULE-1894659371 [0,2,0,0,0,0|2,0,0]=4 3392 B7R0.14 CC(C)(C)C(=O)CN MCULE-7674237053 [0,2,0,0,0,0|2,0,0]=4 3393 B7R0.14 CC(C)(C)C(=O)CN MCULE-8608463504 [0,2,0,0,0,0|2,0,0]=4 3394 B7R0.14 CC(C)(C)C(=O)CN MCULE-9702095018 [0,2,0,0,0,0|2,0,0]=4 3395 B7R0.14 CC(C)(C)C(=O)CO MCULE-4134803818 [0,2,0,0,0,0|1,0,0]=3 3396 B7R0.14 CC(C)(C)C(=O)CS MCULE-7051407339 [0,2,0,0,0,0|1,1,0]=4 3397 B7R0.14 CC(C)(C)C(=O)NN MCULE-1793011833 [0,2,0,0,0,0|2,0,0]=4 3398 B7R0.14 CC(C)(C)C(=O)NO MCULE-8308717662 [0,2,0,0,0,0|1,0,0]=3 3399 B7R0.14 CC(C)(C)C(=O)ON MCULE-7067922027 [0,2,0,0,0,0|1,0,0]=3 3400 B7R0.14 CC(C)(C)C(=O)ON MCULE-8657954784 [0,2,0,0,0,0|1,0,0]=3 3401 B7R0.14 CC(C)(O)C(=N)NO MCULE-3400813193 [0,2,0,0,0,0|1,0,0]=3 3402 B7R0.14 CC(C)(O)C(=O)NN MCULE-2403937132 [0,2,0,0,0,0|1,0,0]=3 3403 B7R0.14 CC(C)(O)C(O)CN MCULE-5716430192 [0,2,0,0,0,0|1,0,1]=4 3404 B7R0.14 CC(CO)C(C)(C)O MCULE-8073024148 [0,2,0,0,0,0|1,0,1]=4 3405 B7R0.14 CC(F)(F)C(=O)CCl MCULE-3815783104 [0,2,0,0,0,0|2,0,0]=4 3406 B7R0.14 CC(F)(F)C(=O)NN MCULE-9937394541 [0,2,0,0,0,0|2,0,0]=4 3407 B7R0.14 CCC(=O)C(C)(C)C MCULE-1267009248 [0,2,0,0,0,0|2,0,0]=4 3408 B7R0.14 CCC(C)S(=O)(=O)O MCULE-3403875457 [0,2,0,0,0,0|2,0,0]=4 3409 B7R0.14 CCC(N)P(=O)(O)O MCULE-5746903883 [0,2,0,0,0,0|2,0,0]=4 3410 B7R0.14 CCC(O)S(=O)(=O)O MCULE-8714704624 [0,2,0,0,0,0|1,0,0]=3 3411 B7R0.14 CCC(O)S(=O)(=O)[O-] MCULE-2259834066 [0,2,0,0,0,0|1,0,1]=4 3412 B7R0.14 CNC(=O)C(C)(C)Br MCULE-1950849882 [0,2,0,0,0,0|2,0,0]=4 3413 B7R0.14 CNC(=O)C(C)(C)C MCULE-8496171703 [0,2,0,0,0,0|2,0,0]=4 3414 B7R0.14 CNC(=O)C(C)(C)N MCULE-1321000327 [0,2,0,0,0,0|2,0,0]=4 3415 B7R0.14 CNC(=O)C(C)(C)N MCULE-9072698278 [0,2,0,0,0,0|2,0,0]=4 3416 B7R0.14 COC(=N)C(C)(C)C MCULE-2172186925 [0,2,0,0,0,0|2,0,0]=4 3417 B7R0.14 COC(=N)C(C)(C)C MCULE-4198236331 [0,2,0,0,0,0|2,0,0]=4 3418 B7R0.14 COC(=O)C(Br)(Br)Br MCULE-2852616065 [0,2,0,0,0,0|2,0,0]=4 3419 B7R0.14 COC(=O)C(C)(C)Br MCULE-5360609815 [0,2,0,0,0,0|1,0,0]=3 3420 B7R0.14 COC(=O)C(C)(C)C MCULE-7232137855 [0,2,0,0,0,0|1,0,0]=3 3421 B7R0.14 COC(=O)C(C)(C)Cl MCULE-7593832654 [0,2,0,0,0,0|1,0,0]=3 3422 B7R0.14 COC(=O)C(C)(C)F MCULE-9004910682 [0,2,0,0,0,0|1,0,0]=3 3423 B7R0.14 COC(=O)C(C)(C)N MCULE-4421106396 [0,2,0,0,0,0|1,0,0]=3 3424 B7R0.14 COC(=O)C(C)(C)N MCULE-5665918426 [0,2,0,0,0,0|1,0,0]=3 3425 B7R0.14 COC(=O)C(C)(C)O MCULE-2680975247 [0,2,0,0,0,0|0,0,0]=2 3426 B7R0.14 COC(=O)C(C)(C)S MCULE-7289580958 [0,2,0,0,0,0|0,1,0]=3 3427 B7R0.14 COC(=O)C(C)(Cl)Cl MCULE-5610542692 [0,2,0,0,0,0|1,0,0]=3 3428 B7R0.14 COC(=O)C(C)(F)Br MCULE-1347184682 [0,2,0,0,0,0|1,0,0]=3 3429 B7R0.14 COC(=O)C(C)(F)F MCULE-3373856454 [0,2,0,0,0,0|1,0,0]=3 3430 B7R0.14 COC(=O)C(Cl)(Cl)Cl MCULE-9240071393 [0,2,0,0,0,0|2,0,0]=4 3431 B7R0.14 COC(=O)C(F)(Cl)Br MCULE-8269246708 [0,2,0,0,0,0|2,0,0]=4 3432 B7R0.14 COC(=O)C(F)(Cl)Cl MCULE-9420225600 [0,2,0,0,0,0|2,0,0]=4 3433 B7R0.14 COC(=O)C(F)(F)Br MCULE-6530048096 [0,2,0,0,0,0|2,0,0]=4 3434 B7R0.14 COC(=O)C(F)(F)Cl MCULE-9008334902 [0,2,0,0,0,0|2,0,0]=4 3435 B7R0.14 COC(=O)C(F)(F)F MCULE-2450637146 [0,2,0,0,0,0|2,0,0]=4 3436 B7R0.14 C[C@@H](CO)C(C)(C)O MCULE-1478332547 [0,2,0,0,0,0|1,0,1]=4 3437 B7R0.14 C[C@@H](CO)C(C)(C)O MCULE-2286439441 [0,2,0,0,0,0|1,0,1]=4 3438 B7R0.14 NOC(=O)C(F)(F)F MCULE-3535310427 [0,2,0,0,0,0|2,0,0]=4 3439 B7R0.14 O=S(=O)(O)C(O)CCl MCULE-7097420026 [0,2,0,0,0,0|1,0,0]=3 3440 B7R0.14 O=S(=O)([O-])C(O)CCl MCULE-1261953230 [0,2,0,0,0,0|1,0,1]=4 3441 B7R0.15 C#CC(OC)C(=O)O MCULE-9292798546 [0,2,0,0,0,0|0,0,1]=3 3442 B7R0.15 C/C=C(\C#N)/C(=O)O MCULE-4984827905 [0,2,0,0,0,0|1,0,1]=4 3443 B7R0.15 CC(=O)C(CO)CO MCULE-6408384667 [0,2,0,0,0,0|1,0,0]=3 3444 B7R0.15 CC(O)C(CO)CO MCULE-9986430379 [0,2,0,0,0,0|0,0,2]=4 3445 B7R0.15 CC=C(C#N)C(=O)O MCULE-5255376210 [0,2,0,0,0,0|1,0,1]=4 3446 B7R0.15 CC=C(CC)C(=O)O MCULE-9303879981 [0,2,0,0,0,0|1,0,1]=4 3447 B7R0.15 CCC(C#N)C(=O)O MCULE-4808497444 [0,2,0,0,0,0|1,0,0]=3 3448 B7R0.15 CCC(CC)C(=O)C MCULE-5291760485 [0,2,0,0,0,0|2,0,0]=4 3449 B7R0.15 CCC(CC)C(=O)Cl MCULE-1027070009 [0,2,0,0,0,0|2,0,0]=4 3450 B7R0.15 CCC(CC)C(=O)N MCULE-7337294425 [0,2,0,0,0,0|2,0,0]=4 3451 B7R0.15 CCC(CC)C(=O)O MCULE-5236890306 [0,2,0,0,0,0|1,0,0]=3 3452 B7R0.15 CCC(CN)C(=O)O MCULE-3795207054 [0,2,0,0,0,0|1,0,0]=3 3453 B7R0.15 CCC(CN)C(=O)O MCULE-3929048283 [0,2,0,0,0,0|1,0,0]=3 3454 B7R0.15 CCC(CO)C(=O)O MCULE-9435802738 [0,2,0,0,0,0|0,0,0]=2 3455 B7R0.15 CCC(CO)C(=O)[O-] MCULE-4277685135 [0,2,0,0,0,0|0,0,1]=3 3456 B7R0.15 CCC(NC)C(=O)N MCULE-1925914686 [0,2,0,0,0,0|2,0,0]=4 3457 B7R0.15 CCC(NC)C(=O)N MCULE-3283265693 [0,2,0,0,0,0|2,0,0]=4 3458 B7R0.15 CCC(NC)C(=O)O MCULE-4101988968 [0,2,0,0,0,0|1,0,0]=3 3459 B7R0.15 CCC(NC)C(=O)O MCULE-4491873969 [0,2,0,0,0,0|1,0,0]=3 3460 B7R0.15 CCC(NN)C(=O)O MCULE-8823684595 [0,2,0,0,0,0|1,0,0]=3 3461 B7R0.15 CCC(NO)C(=O)O MCULE-1962461048 [0,2,0,0,0,0|0,0,0]=2 3462 B7R0.15 CCC(OC)C(=O)N MCULE-4022181907 [0,2,0,0,0,0|1,0,0]=3 3463 B7R0.15 CCC(OC)C(=O)O MCULE-2475290794 [0,2,0,0,0,0|0,0,0]=2 3464 B7R0.15 CCC(SC)C(=O)O MCULE-3373016779 [0,2,0,0,0,0|0,1,0]=3 3465 B7R0.15 CC[C@@H](CN)C(=O)O MCULE-3190659348 [0,2,0,0,0,0|1,0,0]=3 3466 B7R0.15 CC[C@@H](CN)C(=O)O MCULE-5613487575 [0,2,0,0,0,0|1,0,0]=3 3467 B7R0.15 CC[C@@H](CN)C(=O)O MCULE-6726398435 [0,2,0,0,0,0|1,0,0]=3 3468 B7R0.15 CC[C@H](CN)C(=O)O MCULE-2222410753 [0,2,0,0,0,0|1,0,0]=3 3469 B7R0.15 CC[C@H](CN)C(=O)O MCULE-3153536523 [0,2,0,0,0,0|1,0,0]=3 3470 B7R0.15 CC[C@H](CO)C(=O)O MCULE-3017159819 [0,2,0,0,0,0|0,0,0]=2 3471 B7R0.15 CC[C@H](NC)C(=O)N MCULE-6927041915 [0,2,0,0,0,0|2,0,0]=4 3472 B7R0.15 CC[C@H](NC)C(=O)N MCULE-8566282898 [0,2,0,0,0,0|2,0,0]=4 3473 B7R0.15 CC[C@H](NC)C(=O)N MCULE-8659413445 [0,2,0,0,0,0|2,0,0]=4 3474 B7R0.15 CC[C@H](NC)C(=O)N MCULE-8863599251 [0,2,0,0,0,0|2,0,0]=4 3475 B7R0.15 CNC(CN)C(=O)N MCULE-4431940195 [0,2,0,0,0,0|2,0,0]=4 3476 B7R0.15 CNC(CO)C(=O)O MCULE-1439435474 [0,2,0,0,0,0|0,0,0]=2 3477 B7R0.15 CNC(CO)C(=O)O MCULE-7611211207 [0,2,0,0,0,0|0,0,0]=2 3478 B7R0.15 CNC(CS)C(=O)O MCULE-4817727684 [0,2,0,0,0,0|0,1,0]=3 3479 B7R0.15 CNC(CS)C(=O)O MCULE-5741984055 [0,2,0,0,0,0|0,1,0]=3 3480 B7R0.15 CN[C@@H](CN)C(=O)O MCULE-3196852022 [0,2,0,0,0,0|1,0,0]=3 3481 B7R0.15 CN[C@@H](CN)C(=O)O MCULE-3690177999 [0,2,0,0,0,0|1,0,0]=3 3482 B7R0.15 CN[C@@H](CO)C(=O)O MCULE-3320307572 [0,2,0,0,0,0|0,0,0]=2 3483 B7R0.15 CN[C@@H](CO)C(=O)O MCULE-5844994620 [0,2,0,0,0,0|0,0,0]=2 3484 B7R0.15 CN[C@@H](CO)C(=O)O MCULE-6293854138 [0,2,0,0,0,0|0,0,0]=2 3485 B7R0.15 CN[C@@H](CO)C(=O)O MCULE-6463850730 [0,2,0,0,0,0|0,0,0]=2 3486 B7R0.15 CN[C@@H](CS)C(=O)O MCULE-3043115433 [0,2,0,0,0,0|0,1,0]=3 3487 B7R0.15 CN[C@@H](CS)C(=O)O MCULE-8814760080 [0,2,0,0,0,0|0,1,0]=3 3488 B7R0.15 CN[C@H](CO)C(=O)O MCULE-1791141182 [0,2,0,0,0,0|0,0,0]=2 3489 B7R0.15 CN[C@H](CO)C(=O)O MCULE-9346314213 [0,2,0,0,0,0|0,0,0]=2 3490 B7R0.15 COC(C=O)C(C)C MCULE-9722853501 [0,2,0,0,0,0|1,0,1]=4 3491 B7R0.15 COC(CBr)C(=O)O MCULE-5528365617 [0,2,0,0,0,0|0,0,0]=2 3492 B7R0.15 COC(CN)C(=O)N MCULE-3215392526 [0,2,0,0,0,0|1,0,0]=3 3493 B7R0.15 COC(CN)C(=O)O MCULE-1561937449 [0,2,0,0,0,0|0,0,0]=2 3494 B7R0.15 COC(CN)C(=O)O MCULE-7501291426 [0,2,0,0,0,0|0,0,0]=2 3495 B7R0.15 COC(OC)C(=N)N MCULE-1897423045 [0,2,0,0,0,0|2,0,0]=4 3496 B7R0.15 COC(OC)C(=N)N MCULE-9805136082 [0,2,0,0,0,0|2,0,0]=4 3497 B7R0.15 COC(OC)C(=O)C MCULE-9746788369 [0,2,0,0,0,0|1,0,0]=3 3498 B7R0.15 COC(OC)C(=O)N MCULE-2624682764 [0,2,0,0,0,0|1,0,0]=3 3499 B7R0.15 COC(OC)C(=O)O MCULE-3341727181 [0,2,0,0,0,0|0,0,0]=2 3500 B7R0.15 COC(OC)C(=O)[O-] MCULE-5345464135 [0,2,0,0,0,0|0,0,1]=3 3501 B7R0.15 COC(OC)C(C)O MCULE-9058387582 [0,2,0,0,0,0|0,0,2]=4 3502 B7R0.15 COC(OC)[C@@H](C)O MCULE-2524252240 [0,2,0,0,0,0|0,0,2]=4 3503 B7R0.15 COC(OC)[C@H](C)O MCULE-2577056762 [0,2,0,0,0,0|0,0,2]=4 3504 B7R0.15 CO[C@@H](C=O)C(C)C MCULE-6654651958 [0,2,0,0,0,0|1,0,1]=4 3505 B7R0.15 CO[C@@H](CN)C(=O)O MCULE-5536624827 [0,2,0,0,0,0|0,0,0]=2 3506 B7R0.15 CO[C@@H](CN)C(=O)O MCULE-6198841067 [0,2,0,0,0,0|0,0,0]=2 3507 B7R0.15 CO[C@H](C=O)C(C)C MCULE-4139034238 [0,2,0,0,0,0|1,0,1]=4 3508 B7R0.15 N#CC(CN)C(=O)O MCULE-3513807694 [0,2,0,0,0,0|1,0,0]=3 3509 B7R0.15 NC(=O)N(CO)CO MCULE-8654518853 [0,2,0,0,0,0|2,0,0]=4 3510 B7R0.15 NCC(CO)C(=O)O MCULE-5510878508 [0,2,0,0,0,0|0,0,0]=2 3511 B7R0.15 NCC(CO)C(=O)O MCULE-9991285445 [0,2,0,0,0,0|0,0,0]=2 3512 B7R0.15 NC[C@@H](CO)C(=O)O MCULE-4607648703 [0,2,0,0,0,0|0,0,0]=2 3513 B7R0.15 NC[C@@H](CO)C(=O)O MCULE-8943978569 [0,2,0,0,0,0|0,0,0]=2 3514 B7R0.15 NC[C@H](CO)C(=O)O MCULE-8459713640 [0,2,0,0,0,0|0,0,0]=2 3515 B7R0.15 O=C(O)C(CBr)CBr MCULE-5180730979 [0,2,0,0,0,0|1,0,0]=3 3516 B7R0.15 O=C(O)C(CS)CS MCULE-3175815620 [0,2,0,0,0,0|0,1,0]=3 3517 B7R0.15 O=C(O)[C@H](CO)NP MCULE-8418001133 [0,2,0,0,0,0|1,0,0]=3 3518 B7R0.15 O=N(=O)C(CO)CO MCULE-8874921455 [0,2,0,0,0,0|1,0,1]=4 3519 B7R0.17 CC(C)(C)P(=O)(O)O MCULE-6822028220 [0,2,0,0,0,0|2,0,0]=4 3520 B7R0.17 CC(C)(O)C(C)(C)O MCULE-1577235285 [0,2,0,0,0,0|1,0,1]=4 3521 B7R0.17 CC(C)(O)S(=O)(=O)[O-] MCULE-1406018024 [0,2,0,0,0,0|1,0,1]=4 3522 B7R0.17 CC(C)(O)S(=O)(=O)[O-] MCULE-9821904245 [0,2,0,0,0,0|1,0,1]=4 3523 B5R1.2 BrC1=CCC1 MCULE-7839710306 [1,0,0,1,0,0|2,0,0]=4 3524 B5R1.2 BrC1COC1 MCULE-7527620035 [1,0,0,1,0,0|1,0,1]=4 3525 B5R1.2 C=C1CCC1 MCULE-8318650413 [1,0,0,1,0,0|2,0,0]=4 3526 B5R1.2 C=C1COC1 MCULE-1822645869 [1,0,0,1,0,0|2,0,0]=4 3527 B5R1.2 ClC1COC1 MCULE-7266812470 [1,0,0,1,0,0|1,0,1]=4 3528 B5R1.2 FC1COC1 MCULE-7899811313 [1,0,0,1,0,0|1,0,1]=4 3529 B5R1.2 IC1COC1 MCULE-6736781201 [1,0,0,1,0,0|1,0,1]=4 3530 B5R1.2 NC1COC1 MCULE-3457998413 [1,0,0,1,0,0|1,0,1]=4 3531 B5R1.2 NC1COC1 MCULE-8439862131 [1,0,0,1,0,0|1,0,1]=4 3532 B5R1.2 O=C1CCC1 MCULE-4870967355 [1,0,0,1,0,0|1,0,0]=3 3533 B5R1.2 O=C1CCN1 MCULE-9053067221 [1,0,0,1,0,0|1,0,0]=3 3534 B5R1.2 O=C1CCO1 MCULE-1277069147 [1,0,0,1,0,0|0,0,0]=2 3535 B5R1.2 O=C1CNC1 MCULE-5171659870 [1,0,0,1,0,0|2,0,0]=4 3536 B5R1.2 O=C1CNC1 MCULE-8293494956 [1,0,0,1,0,0|2,0,0]=4 3537 B5R1.2 O=C1COC1 MCULE-6847248632 [1,0,0,1,0,0|1,0,0]=3 3538 B5R1.2 O=C1CSC1 MCULE-4436071261 [1,0,0,1,0,0|1,1,0]=4 3539 B5R1.2 OC1CCC1 MCULE-2856311430 [1,0,0,1,0,0|1,0,1]=4 3540 B5R1.2 OC1CNC1 MCULE-3596383447 [1,0,0,1,0,0|1,0,1]=4 3541 B5R1.2 OC1CNC1 MCULE-7913518128 [1,0,0,1,0,0|1,0,1]=4 3542 B5R1.2 OC1COC1 MCULE-2630355859 [1,0,0,1,0,0|0,0,1]=3 3543 B5R1.2 OC1CSC1 MCULE-6759275460 [1,0,0,1,0,0|0,1,1]=4 3544 B5R1.2 SC1COC1 MCULE-2175099379 [1,0,0,1,0,0|0,1,1]=4 3545 B5R1.3 BrCC1CO1 MCULE-1054784183 [1,0,0,1,0,0|1,0,1]=4 3546 B5R1.3 C1(CO1)CCl MCULE-2239256431 [1,0,0,1,0,0|1,0,1]=4 3547 B5R1.3 C=CC1CC1 MCULE-4323158851 [1,0,0,1,0,0|2,0,0]=4 3548 B5R1.3 C=CC1CO1 MCULE-1428696186 [1,0,0,1,0,0|1,0,0]=3 3549 B5R1.3 CCC1CO1 MCULE-4316722229 [1,0,0,1,0,0|1,0,1]=4 3550 B5R1.3 CCC1CO1 MCULE-8341828978 [1,0,0,1,0,0|1,0,1]=4 3551 B5R1.3 CC[C@@H]1CO1 MCULE-4349820919 [1,0,0,1,0,0|1,0,1]=4 3552 B5R1.3 CC[C@@H]1CO1 MCULE-5929218989 [1,0,0,1,0,0|1,0,1]=4 3553 B5R1.3 CC[C@H]1CO1 MCULE-3647278168 [1,0,0,1,0,0|1,0,1]=4 3554 B5R1.3 CC[C@H]1CO1 MCULE-4369524443 [1,0,0,1,0,0|1,0,1]=4 3555 B5R1.3 ClCC1CO1 MCULE-9759519789 [1,0,0,1,0,0|1,0,1]=4 3556 B5R1.3 ClC[C@@H]1CO1 MCULE-8144448889 [1,0,0,1,0,0|1,0,1]=4 3557 B5R1.3 ClC[C@@H]1CO1 MCULE-8710235870 [1,0,0,1,0,0|1,0,1]=4 3558 B5R1.3 ClC[C@H]1CO1 MCULE-2316124162 [1,0,0,1,0,0|1,0,1]=4 3559 B5R1.3 ClC[C@H]1CO1 MCULE-6957304600 [1,0,0,1,0,0|1,0,1]=4 3560 B5R1.3 FCC1CO1 MCULE-6156138745 [1,0,0,1,0,0|1,0,1]=4 3561 B5R1.3 FC[C@@H]1CO1 MCULE-7477932707 [1,0,0,1,0,0|1,0,1]=4 3562 B5R1.3 ICC1CO1 MCULE-6993621560 [1,0,0,1,0,0|1,0,1]=4 3563 B5R1.3 O=CC1CC1 MCULE-9773190262 [1,0,0,1,0,0|1,0,0]=3 3564 B5R1.3 OCC1CC1 MCULE-4492474357 [1,0,0,1,0,0|1,0,1]=4 3565 B5R1.3 OCC1CO1 MCULE-2158628585 [1,0,0,1,0,0|0,0,1]=3 3566 B5R1.3 OCC1CO1 MCULE-4063620133 [1,0,0,1,0,0|0,0,1]=3 3567 B5R1.3 OC[C@@H]1CO1 MCULE-4213198809 [1,0,0,1,0,0|0,0,1]=3 3568 B5R1.3 OC[C@@H]1CO1 MCULE-6922911793 [1,0,0,1,0,0|0,0,1]=3 3569 B5R1.3 OC[C@H]1CO1 MCULE-2018407404 [1,0,0,1,0,0|0,0,1]=3 3570 B5R1.3 OC[C@H]1CO1 MCULE-9773081927 [1,0,0,1,0,0|0,0,1]=3 3571 B5R1.3 [C@@H]1(CO1)C=C MCULE-9776744095 [1,0,0,1,0,0|1,0,0]=3 3572 B5R1.3 [C@H]1(CO1)C=C MCULE-7934901088 [1,0,0,1,0,0|1,0,0]=3 3573 B5R1.4 CC1CC1O MCULE-2006758475 [1,0,0,1,0,0|1,0,1]=4 3574 B5R1.4 CC1OC1C MCULE-9780363671 [1,0,0,1,0,0|1,0,1]=4 3575 B5R1.4 C[C@@H]1O[C@@H]1C MCULE-4355544092 [1,0,0,1,0,0|1,0,1]=4 3576 B5R1.4 C[C@@H]1O[C@H]1C MCULE-1930253682 [1,0,0,1,0,0|1,0,1]=4 3577 B5R1.4 C[C@H]1O[C@@H]1C MCULE-4354089942 [1,0,0,1,0,0|1,0,1]=4 3578 B5R1.4 C[C@H]1O[C@@H]1C MCULE-7982793342 [1,0,0,1,0,0|1,0,1]=4 3579 B5R1.4 NC1CC1O MCULE-2677451452 [1,0,0,1,0,0|1,0,1]=4 3580 B5R1.4 NC1CC1O MCULE-2909581707 [1,0,0,1,0,0|1,0,1]=4 3581 B5R1.4 N[C@@H]1C[C@@H]1O MCULE-1950197706 [1,0,0,1,0,0|1,0,1]=4 3582 B5R1.4 N[C@@H]1C[C@H]1O MCULE-5188790849 [1,0,0,1,0,0|1,0,1]=4 3583 B5R1.4 N[C@@H]1C[C@H]1O MCULE-8531829585 [1,0,0,1,0,0|1,0,1]=4 3584 B5R1.4 N[C@H]1C[C@@H]1O MCULE-4699241997 [1,0,0,1,0,0|1,0,1]=4 3585 B5R1.4 N[C@H]1C[C@H]1O MCULE-3609246488 [1,0,0,1,0,0|1,0,1]=4 3586 B5R1.4 N[C@H]1C[C@H]1O MCULE-3860963329 [1,0,0,1,0,0|1,0,1]=4 3587 B5R1.5 CC1(CC1)O MCULE-8472680145 [1,0,0,1,0,0|1,0,1]=4 3588 B5R1.5 CC1(CO1)C MCULE-4247049920 [1,0,0,1,0,0|1,0,1]=4 3589 B5R1.5 NC1(CC1)O MCULE-6134507215 [1,0,0,1,0,0|1,0,1]=4 3590 B5R1.5 NC1(CC1)O MCULE-9233065159 [1,0,0,1,0,0|1,0,1]=4 3591 B5R1.5 O=S1(=O)CC1 MCULE-3660879908 [1,0,0,1,0,0|1,0,1]=4 3592 B7R1.2 C1(CNC(=O)C1)N MCULE-6663942203 [0,0,0,1,0,1|2,0,0]=4 3593 B7R1.2 C1(CNC(=O)C1)N MCULE-7862049809 [0,0,0,1,0,1|2,0,0]=4 3594 B7R1.2 C1(CNC(=O)C1)O MCULE-5557473335 [0,0,0,1,0,1|1,0,0]=3 3595 B7R1.2 C1(COC(=O)N1)C MCULE-2821940224 [0,0,0,1,0,1|1,0,0]=3 3596 B7R1.2 CC1=CC(=O)CO1 MCULE-6570401610 [0,0,0,1,0,1|1,0,1]=4 3597 B7R1.2 CC1=CC(=O)NO1 MCULE-4569959155 [0,0,0,1,0,1|1,0,1]=4 3598 B7R1.2 CC1=CC(=O)OC1 MCULE-6549202383 [0,0,0,1,0,1|1,0,1]=4 3599 B7R1.2 CC1=NC(CO1)C MCULE-2489340707 [0,0,0,1,0,1|2,0,0]=4 3600 B7R1.2 CC1=NOC(=O)C1 MCULE-2665741338 [0,0,0,1,0,1|1,0,1]=4 3601 B7R1.2 CC1=NOC(=O)C1 MCULE-3084424307 [0,0,0,1,0,1|1,0,1]=4 3602 B7R1.2 CC1=NOC(=O)O1 MCULE-5416417255 [0,0,0,1,0,1|1,0,1]=4 3603 B7R1.2 CC1C=CC(=O)O1 MCULE-7172637771 [0,0,0,1,0,1|2,0,0]=4 3604 B7R1.2 CC1CC(=NO1)N MCULE-8353889650 [0,0,0,1,0,1|2,0,0]=4 3605 B7R1.2 CC1CC(=O)CO1 MCULE-7022597277 [0,0,0,1,0,1|1,0,0]=3 3606 B7R1.2 CC1CC(=O)CS1 MCULE-7518365363 [0,0,0,1,0,1|1,1,0]=4 3607 B7R1.2 CC1CC(=O)NN1 MCULE-2056748401 [0,0,0,1,0,1|2,0,0]=4 3608 B7R1.2 CC1CC(=O)NN1 MCULE-8107476665 [0,0,0,1,0,1|2,0,0]=4 3609 B7R1.2 CC1CC(CO1)O MCULE-1304022283 [0,0,0,1,0,1|1,0,1]=4 3610 B7R1.2 CC1CCC(=O)C1 MCULE-6716533429 [0,0,0,1,0,1|2,0,0]=4 3611 B7R1.2 CC1CCC(=O)N1 MCULE-8928464449 [0,0,0,1,0,1|2,0,0]=4 3612 B7R1.2 CC1CCC(=O)N1 MCULE-9236321365 [0,0,0,1,0,1|2,0,0]=4 3613 B7R1.2 CC1CCC(=O)O1 MCULE-3014789527 [0,0,0,1,0,1|2,0,0]=4 3614 B7R1.2 CC1CNC(=O)C1 MCULE-7180589009 [0,0,0,1,0,1|2,0,0]=4 3615 B7R1.2 CC1CNC(=O)N1 MCULE-3789430210 [0,0,0,1,0,1|2,0,0]=4 3616 B7R1.2 CC1CNC(=O)O1 MCULE-1288358267 [0,0,0,1,0,1|2,0,0]=4 3617 B7R1.2 CC1COC(=O)C1 MCULE-7226555218 [0,0,0,1,0,1|1,0,0]=3 3618 B7R1.2 CC1COC(=O)N1 MCULE-5787960105 [0,0,0,1,0,1|1,0,0]=3 3619 B7R1.2 CC1COC(=O)O1 MCULE-9055336051 [0,0,0,1,0,1|1,0,0]=3 3620 B7R1.2 CC1COC(=S)N1 MCULE-4793665300 [0,0,0,1,0,1|1,1,0]=4 3621 B7R1.2 CC1COS(=O)O1 MCULE-7795249539 [0,0,0,1,0,1|2,0,0]=4 3622 B7R1.2 CC1CSC(=O)S1 MCULE-5074098161 [0,0,0,1,0,1|1,1,0]=4 3623 B7R1.2 CC1NCC(=O)N1 MCULE-9790180398 [0,0,0,1,0,1|2,0,0]=4 3624 B7R1.2 C[C@@H]1CC(=O)CN1 MCULE-1621276410 [0,0,0,1,0,1|2,0,0]=4 3625 B7R1.2 C[C@@H]1CC(=O)CN1 MCULE-8721208019 [0,0,0,1,0,1|2,0,0]=4 3626 B7R1.2 C[C@@H]1CCC(=O)N1 MCULE-2915942259 [0,0,0,1,0,1|2,0,0]=4 3627 B7R1.2 C[C@@H]1CCC(=O)N1 MCULE-8123247569 [0,0,0,1,0,1|2,0,0]=4 3628 B7R1.2 C[C@@H]1CCC(=O)O1 MCULE-5934008113 [0,0,0,1,0,1|2,0,0]=4 3629 B7R1.2 C[C@@H]1CNC(=O)C1 MCULE-2439559922 [0,0,0,1,0,1|2,0,0]=4 3630 B7R1.2 C[C@@H]1CNC(=O)C1 MCULE-7246323100 [0,0,0,1,0,1|2,0,0]=4 3631 B7R1.2 C[C@@H]1CNC(=O)O1 MCULE-8336717940 [0,0,0,1,0,1|2,0,0]=4 3632 B7R1.2 C[C@@H]1CNC(=O)O1 MCULE-9661080313 [0,0,0,1,0,1|2,0,0]=4 3633 B7R1.2 C[C@@H]1COC(=O)C1 MCULE-1121808555 [0,0,0,1,0,1|1,0,0]=3 3634 B7R1.2 C[C@@H]1COC(=O)C1 MCULE-1627827491 [0,0,0,1,0,1|1,0,0]=3 3635 B7R1.2 C[C@@H]1COC(=O)N1 MCULE-2439588002 [0,0,0,1,0,1|1,0,0]=3 3636 B7R1.2 C[C@@H]1COC(=O)N1 MCULE-5329850427 [0,0,0,1,0,1|1,0,0]=3 3637 B7R1.2 C[C@@H]1COC(=O)O1 MCULE-3187800510 [0,0,0,1,0,1|1,0,0]=3 3638 B7R1.2 C[C@@H]1COC(=O)O1 MCULE-6719271655 [0,0,0,1,0,1|1,0,0]=3 3639 B7R1.2 C[C@H]1CC(=O)CN1 MCULE-3272300487 [0,0,0,1,0,1|2,0,0]=4 3640 B7R1.2 C[C@H]1CC(=O)CN1 MCULE-4583858198 [0,0,0,1,0,1|2,0,0]=4 3641 B7R1.2 C[C@H]1CC(=O)CN1 MCULE-5135895304 [0,0,0,1,0,1|2,0,0]=4 3642 B7R1.2 C[C@H]1CC(=O)CN1 MCULE-6058896534 [0,0,0,1,0,1|2,0,0]=4 3643 B7R1.2 C[C@H]1CCC(=O)C1 MCULE-7319626625 [0,0,0,1,0,1|2,0,0]=4 3644 B7R1.2 C[C@H]1CCC(=O)N1 MCULE-2618122031 [0,0,0,1,0,1|2,0,0]=4 3645 B7R1.2 C[C@H]1CCC(=O)N1 MCULE-6630066118 [0,0,0,1,0,1|2,0,0]=4 3646 B7R1.2 C[C@H]1CCC(=O)O1 MCULE-5274272771 [0,0,0,1,0,1|2,0,0]=4 3647 B7R1.2 C[C@H]1CNC(=O)C1 MCULE-3395896178 [0,0,0,1,0,1|2,0,0]=4 3648 B7R1.2 C[C@H]1CNC(=O)C1 MCULE-8492971593 [0,0,0,1,0,1|2,0,0]=4 3649 B7R1.2 C[C@H]1COC(=O)C1 MCULE-6050720348 [0,0,0,1,0,1|1,0,0]=3 3650 B7R1.2 C[C@H]1COC(=O)N1 MCULE-7240884474 [0,0,0,1,0,1|1,0,0]=3 3651 B7R1.2 C[C@H]1COC(=O)N1 MCULE-7811823319 [0,0,0,1,0,1|1,0,0]=3 3652 B7R1.2 C[C@H]1COC(=O)O1 MCULE-2416711374 [0,0,0,1,0,1|1,0,0]=3 3653 B7R1.2 C[C@H]1COC(=O)O1 MCULE-4223856214 [0,0,0,1,0,1|1,0,0]=3 3654 B7R1.2 NC1CCC(=O)C1 MCULE-5102535286 [0,0,0,1,0,1|2,0,0]=4 3655 B7R1.2 NC1CCC(=O)C1 MCULE-7722818264 [0,0,0,1,0,1|2,0,0]=4 3656 B7R1.2 NC1CCC(=O)N1 MCULE-1843033026 [0,0,0,1,0,1|2,0,0]=4 3657 B7R1.2 NC1CCC(=O)N1 MCULE-7671057220 [0,0,0,1,0,1|2,0,0]=4 3658 B7R1.2 NC1CNC(=O)C1 MCULE-1690074091 [0,0,0,1,0,1|2,0,0]=4 3659 B7R1.2 NC1CNC(=O)C1 MCULE-2563813057 [0,0,0,1,0,1|2,0,0]=4 3660 B7R1.2 NC1CNC(=O)C1 MCULE-5332234739 [0,0,0,1,0,1|2,0,0]=4 3661 B7R1.2 NC1CNC(=O)C1 MCULE-9955937074 [0,0,0,1,0,1|2,0,0]=4 3662 B7R1.2 NC1COC(=O)C1 MCULE-1027386953 [0,0,0,1,0,1|1,0,0]=3 3663 B7R1.2 NC1COC(=O)C1 MCULE-1493825051 [0,0,0,1,0,1|1,0,0]=3 3664 B7R1.2 NC1COC(=O)C1 MCULE-3118610284 [0,0,0,1,0,1|1,0,0]=3 3665 B7R1.2 NC1COC(=O)C1 MCULE-8194840985 [0,0,0,1,0,1|1,0,0]=3 3666 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-1502944618 [0,0,0,1,0,1|2,0,0]=4 3667 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-2444469131 [0,0,0,1,0,1|2,0,0]=4 3668 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-7277309874 [0,0,0,1,0,1|2,0,0]=4 3669 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-8533160250 [0,0,0,1,0,1|2,0,0]=4 3670 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-2437548952 [0,0,0,1,0,1|1,0,0]=3 3671 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-4215135536 [0,0,0,1,0,1|1,0,0]=3 3672 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-4884145743 [0,0,0,1,0,1|1,0,0]=3 3673 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-9276068415 [0,0,0,1,0,1|1,0,0]=3 3674 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-1884894725 [0,0,0,1,0,1|2,0,0]=4 3675 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-2130809002 [0,0,0,1,0,1|2,0,0]=4 3676 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-3881338264 [0,0,0,1,0,1|2,0,0]=4 3677 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-4324375667 [0,0,0,1,0,1|2,0,0]=4 3678 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-5900761307 [0,0,0,1,0,1|2,0,0]=4 3679 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-6007209179 [0,0,0,1,0,1|2,0,0]=4 3680 B7R1.2 N[C@H]1COC(=O)C1 MCULE-2936782126 [0,0,0,1,0,1|1,0,0]=3 3681 B7R1.2 N[C@H]1COC(=O)C1 MCULE-4255876921 [0,0,0,1,0,1|1,0,0]=3 3682 B7R1.2 N[C@H]1COC(=O)C1 MCULE-5377151477 [0,0,0,1,0,1|1,0,0]=3 3683 B7R1.2 N[C@H]1COC(=O)C1 MCULE-6406960509 [0,0,0,1,0,1|1,0,0]=3 3684 B7R1.2 O=C1C=C(CC1)O MCULE-4815747510 [0,0,0,1,0,1|1,0,1]=4 3685 B7R1.2 O=C1C=C(CN1)O MCULE-4305405716 [0,0,0,1,0,1|1,0,1]=4 3686 B7R1.2 O=C1C=C(CO1)Br MCULE-8883097432 [0,0,0,1,0,1|1,0,1]=4 3687 B7R1.2 O=C1C=C(CO1)O MCULE-5095558101 [0,0,0,1,0,1|0,0,1]=3 3688 B7R1.2 O=C1C=CC(C1)O MCULE-6464451546 [0,0,0,1,0,1|1,0,1]=4 3689 B7R1.2 O=C1C=CC(O1)O MCULE-7170809381 [0,0,0,1,0,1|1,0,1]=4 3690 B7R1.2 O=C1C=C[C@@H](C1)O MCULE-4535052390 [0,0,0,1,0,1|1,0,1]=4 3691 B7R1.2 O=C1C=C[C@H](C1)O MCULE-9347047598 [0,0,0,1,0,1|1,0,1]=4 3692 B7R1.2 O=C1CC(=CO1)O MCULE-3691688750 [0,0,0,1,0,1|0,0,2]=4 3693 B7R1.2 O=C1CC(CN1)O MCULE-8498039777 [0,0,0,1,0,1|1,0,0]=3 3694 B7R1.2 O=C1CC(CN1)S MCULE-3257609096 [0,0,0,1,0,1|1,1,0]=4 3695 B7R1.2 O=C1CC(CO1)O MCULE-3779919332 [0,0,0,1,0,1|0,0,0]=2 3696 B7R1.2 O=C1CC(CO1)O MCULE-5609071664 [0,0,0,1,0,1|0,0,0]=2 3697 B7R1.2 O=C1CCC(C1)F MCULE-9585894610 [0,0,0,1,0,1|2,0,0]=4 3698 B7R1.2 O=C1CCC(C1)I MCULE-5558007377 [0,0,0,1,0,1|2,0,0]=4 3699 B7R1.2 O=C1CCC(C1)O MCULE-8500536547 [0,0,0,1,0,1|1,0,0]=3 3700 B7R1.2 O=C1CCC(N1)O MCULE-1790956080 [0,0,0,1,0,1|1,0,0]=3 3701 B7R1.2 O=C1CCC(O1)F MCULE-6874239017 [0,0,0,1,0,1|2,0,0]=4 3702 B7R1.2 O=C1CCC(O1)O MCULE-5296344468 [0,0,0,1,0,1|1,0,0]=3 3703 B7R1.2 O=C1COC(=O)C1 MCULE-3258090872 [0,0,0,1,0,1|0,0,2]=4 3704 B7R1.2 O=C1COC(=O)N1 MCULE-3103815953 [0,0,0,1,0,1|0,0,2]=4 3705 B7R1.2 O=C1COC(=O)[N-]1 MCULE-2786348217 [0,0,0,1,0,1|0,0,2]=4 3706 B7R1.2 O=C1C[C@@H](CN1)O MCULE-2016792324 [0,0,0,1,0,1|1,0,0]=3 3707 B7R1.2 O=C1C[C@@H](CN1)O MCULE-9756194758 [0,0,0,1,0,1|1,0,0]=3 3708 B7R1.2 O=C1C[C@@H](CO1)O MCULE-1467506377 [0,0,0,1,0,1|0,0,0]=2 3709 B7R1.2 O=C1C[C@@H](CO1)O MCULE-3668466479 [0,0,0,1,0,1|0,0,0]=2 3710 B7R1.2 O=C1C[C@H](CN1)O MCULE-2017150152 [0,0,0,1,0,1|1,0,0]=3 3711 B7R1.2 O=C1C[C@H](CN1)O MCULE-5168961542 [0,0,0,1,0,1|1,0,0]=3 3712 B7R1.2 O=C1C[C@H](CN1)S MCULE-6980612759 [0,0,0,1,0,1|1,1,0]=4 3713 B7R1.2 O=C1C[C@H](CN1)S MCULE-7205538285 [0,0,0,1,0,1|1,1,0]=4 3714 B7R1.2 O=C1C[C@H](CO1)O MCULE-5756899897 [0,0,0,1,0,1|0,0,0]=2 3715 B7R1.2 O=C1C[C@H](CO1)O MCULE-6247095672 [0,0,0,1,0,1|0,0,0]=2 3716 B7R1.2 O=C1OCC(O1)Cl MCULE-4046020713 [0,0,0,1,0,1|1,0,0]=3 3717 B7R1.2 O=C1OCC(O1)F MCULE-7198712298 [0,0,0,1,0,1|1,0,0]=3 3718 B7R1.2 OC1CCC(C1)O MCULE-2799846813 [0,0,0,1,0,1|1,0,1]=4 3719 B7R1.2 OC1CCC(O1)O MCULE-8012370358 [0,0,0,1,0,1|1,0,1]=4 3720 B7R1.2 O[C@@H]1CC[C@H](C1)O MCULE-4481324218 [0,0,0,1,0,1|1,0,1]=4 3721 B7R1.2 O[C@@H]1CC[C@H](C1)O MCULE-6560672131 [0,0,0,1,0,1|1,0,1]=4 3722 B7R1.2 O[C@H]1CC[C@H](C1)O MCULE-4640874873 [0,0,0,1,0,1|1,0,1]=4 3723 B7R1.2 [C@H]1(CCC(=O)C1)C MCULE-3827565169 [0,0,0,1,0,1|2,0,0]=4 3724 B7R1.2 [C@H]1(CC[C@H](C1)O)O MCULE-4834858159 [0,0,0,1,0,1|1,0,1]=4 3725 B7R1.12 C=C1CC1C(=O)O MCULE-4330944573 [0,0,0,1,0,1|1,0,1]=4 3726 B7R1.12 CC(=O)C1CC1C MCULE-5857709747 [0,0,0,1,0,1|2,0,0]=4 3727 B7R1.12 CC(=O)[C@@H]1C[C@H]1C MCULE-4367650211 [0,0,0,1,0,1|2,0,0]=4 3728 B7R1.12 CC1=CC1C(=O)O MCULE-6979504623 [0,0,0,1,0,1|1,0,1]=4 3729 B7R1.12 CC1CC1C(=O)Cl MCULE-7645594952 [0,0,0,1,0,1|2,0,0]=4 3730 B7R1.12 CC1CC1C(=O)N MCULE-4145079494 [0,0,0,1,0,1|2,0,0]=4 3731 B7R1.12 CC1CC1C(=O)O MCULE-1757330006 [0,0,0,1,0,1|1,0,0]=3 3732 B7R1.12 CC1SC1C(=O)N MCULE-7010314546 [0,0,0,1,0,1|1,1,0]=4 3733 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O MCULE-1245851874 [0,0,0,1,0,1|1,0,0]=3 3734 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O MCULE-9582782871 [0,0,0,1,0,1|1,0,0]=3 3735 B7R1.12 C[C@@H]1C[C@H]1C(=O)O MCULE-2621918749 [0,0,0,1,0,1|1,0,0]=3 3736 B7R1.12 C[C@@H]1C[C@H]1C(=O)O MCULE-7347988261 [0,0,0,1,0,1|1,0,0]=3 3737 B7R1.12 C[C@H]1C[C@@H]1C(=O)O MCULE-4499487863 [0,0,0,1,0,1|1,0,0]=3 3738 B7R1.12 C[C@H]1C[C@@H]1C(=O)O MCULE-9300153165 [0,0,0,1,0,1|1,0,0]=3 3739 B7R1.12 C[C@H]1C[C@H]1C(=O)O MCULE-4410115478 [0,0,0,1,0,1|1,0,0]=3 3740 B7R1.12 C[C@H]1C[C@H]1C(=O)O MCULE-6590525761 [0,0,0,1,0,1|1,0,0]=3 3741 B7R1.12 C[C@H]1C[C@H]1C(=O)O MCULE-8070492716 [0,0,0,1,0,1|1,0,0]=3 3742 B7R1.12 NC(=O)C1CC1N MCULE-9433325277 [0,0,0,1,0,1|2,0,0]=4 3743 B7R1.12 NC(=O)[C@@H]1C[C@@H]1F MCULE-2857193174 [0,0,0,1,0,1|2,0,0]=4 3744 B7R1.12 O=C(O)C1CC1Br MCULE-6387317137 [0,0,0,1,0,1|1,0,0]=3 3745 B7R1.12 O=C(O)C1CC1Cl MCULE-8907850405 [0,0,0,1,0,1|1,0,0]=3 3746 B7R1.12 O=C(O)C1CC1F MCULE-8258481986 [0,0,0,1,0,1|1,0,0]=3 3747 B7R1.12 O=C(O)C1CC1I MCULE-9535592263 [0,0,0,1,0,1|1,0,0]=3 3748 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F MCULE-1882710455 [0,0,0,1,0,1|1,0,0]=3 3749 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F MCULE-7715660561 [0,0,0,1,0,1|1,0,0]=3 3750 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F MCULE-7741460434 [0,0,0,1,0,1|1,0,0]=3 3751 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I MCULE-2594739726 [0,0,0,1,0,1|1,0,0]=3 3752 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I MCULE-3033770510 [0,0,0,1,0,1|1,0,0]=3 3753 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I MCULE-6224902495 [0,0,0,1,0,1|1,0,0]=3 3754 B7R1.12 O=C(O)[C@@H]1C[C@H]1Br MCULE-3031410853 [0,0,0,1,0,1|1,0,0]=3 3755 B7R1.12 O=C(O)[C@@H]1C[C@H]1F MCULE-1201733028 [0,0,0,1,0,1|1,0,0]=3 3756 B7R1.12 O=C(O)[C@@H]1C[C@H]1F MCULE-5963625184 [0,0,0,1,0,1|1,0,0]=3 3757 B7R1.12 O=C(O)[C@@H]1C[C@H]1F MCULE-9724617114 [0,0,0,1,0,1|1,0,0]=3 3758 B7R1.12 O=C(O)[C@@H]1C[C@H]1I MCULE-3702576454 [0,0,0,1,0,1|1,0,0]=3 3759 B7R1.12 O=C(O)[C@H]1C[C@@H]1F MCULE-3766204952 [0,0,0,1,0,1|1,0,0]=3 3760 B7R1.12 O=C(O)[C@H]1C[C@@H]1F MCULE-4258983574 [0,0,0,1,0,1|1,0,0]=3 3761 B7R1.12 O=C(O)[C@H]1C[C@H]1Br MCULE-3094747797 [0,0,0,1,0,1|1,0,0]=3 3762 B7R1.12 O=C(O)[C@H]1C[C@H]1F MCULE-7993479857 [0,0,0,1,0,1|1,0,0]=3 3763 B7R1.12 O=C(O)[C@H]1C[C@H]1F MCULE-9922834235 [0,0,0,1,0,1|1,0,0]=3 3764 B7R1.12 O=C(O)[C@H]1C[C@H]1I MCULE-5714437007 [0,0,0,1,0,1|1,0,0]=3 3765 B7R1.12 O=C(O)[C@H]1C[C@H]1I MCULE-8000208987 [0,0,0,1,0,1|1,0,0]=3 3766 B7R1.12 [C@H]1(C[C@H]1C(=O)O)C MCULE-9539625763 [0,0,0,1,0,1|1,0,0]=3 3767 B7R1.16 CC1(CC(=O)C1)C MCULE-4306266527 [0,0,0,1,0,1|2,0,0]=4 3768 B7R1.16 CC1(CC(=O)C1)N MCULE-1739432720 [0,0,0,1,0,1|2,0,0]=4 3769 B7R1.16 CC1(CC(=O)C1)N MCULE-2529462721 [0,0,0,1,0,1|2,0,0]=4 3770 B7R1.16 CC1(CC(=O)N1)C MCULE-5555898363 [0,0,0,1,0,1|2,0,0]=4 3771 B7R1.16 O=S1(=O)CC(C1)O MCULE-6917376424 [0,0,0,1,0,1|1,0,1]=4 3772 B7R1.20 CC(=O)CC1CC1 MCULE-3465510397 [0,0,0,1,0,1|2,0,0]=4 3773 B7R1.20 CC(=O)NC1CC1 MCULE-7553641762 [0,0,0,1,0,1|2,0,0]=4 3774 B7R1.20 NC(=O)CC1CC1 MCULE-3835601763 [0,0,0,1,0,1|2,0,0]=4 3775 B7R1.20 NC(=O)CC1CO1 MCULE-9954364706 [0,0,0,1,0,1|1,0,0]=3 3776 B7R1.20 NC(=O)NC1CC1 MCULE-4338833542 [0,0,0,1,0,1|2,0,0]=4 3777 B7R1.20 O=C(Cl)CC1CC1 MCULE-9640878584 [0,0,0,1,0,1|2,0,0]=4 3778 B7R1.20 O=C(Cl)NC1CC1 MCULE-8107862020 [0,0,0,1,0,1|2,0,0]=4 3779 B7R1.20 O=C(Cl)OC1CC1 MCULE-4373365407 [0,0,0,1,0,1|2,0,0]=4 3780 B7R1.20 O=C(O)C=C1CC1 MCULE-7214971091 [0,0,0,1,0,1|1,0,1]=4 3781 B7R1.20 O=C(O)CC1CC1 MCULE-3026300598 [0,0,0,1,0,1|1,0,0]=3 3782 B7R1.20 O=C(O)CC1CO1 MCULE-5322663834 [0,0,0,1,0,1|0,0,0]=2 3783 B7R1.20 O=C(O)C[C@H]1CO1 MCULE-2418249972 [0,0,0,1,0,1|0,0,0]=2 3784 B7R1.4 C1(CCNC1=O)N MCULE-4906952813 [0,1,0,1,0,0|2,0,0]=4 3785 B7R1.4 C1(CCNC1=O)N MCULE-9500853209 [0,1,0,1,0,0|2,0,0]=4 3786 B7R1.4 C=C1CCCC1O MCULE-3026250203 [0,1,0,1,0,0|2,0,0]=4 3787 B7R1.4 C=C1CCOC1=O MCULE-5907828600 [0,1,0,1,0,0|1,0,1]=4 3788 B7R1.4 C=C1COCC1N MCULE-4632261286 [0,1,0,1,0,0|2,0,0]=4 3789 B7R1.4 C=C1COCC1N MCULE-7153575301 [0,1,0,1,0,0|2,0,0]=4 3790 B7R1.4 CC1=CCOC1=O MCULE-9785490540 [0,1,0,1,0,0|1,0,1]=4 3791 B7R1.4 CC1C=NNC1=O MCULE-2547711142 [0,1,0,1,0,0|2,0,0]=4 3792 B7R1.4 CC1CCCC1=O MCULE-3710290162 [0,1,0,1,0,0|2,0,0]=4 3793 B7R1.4 CC1CCNC1=O MCULE-7799644249 [0,1,0,1,0,0|2,0,0]=4 3794 B7R1.4 CC1CCOC1=O MCULE-2223078294 [0,1,0,1,0,0|1,0,0]=3 3795 B7R1.4 CC1CNCC1=O MCULE-2728909327 [0,1,0,1,0,0|2,0,0]=4 3796 B7R1.4 CC1CNCC1=O MCULE-9172381840 [0,1,0,1,0,0|2,0,0]=4 3797 B7R1.4 CC1COCC1=O MCULE-8115238635 [0,1,0,1,0,0|1,0,0]=3 3798 B7R1.4 CC1COCC1O MCULE-5925280081 [0,1,0,1,0,0|1,0,1]=4 3799 B7R1.4 CC1CON=C1N MCULE-8845082604 [0,1,0,1,0,0|2,0,0]=4 3800 B7R1.4 CC1CSCC1=O MCULE-5611423322 [0,1,0,1,0,0|1,1,0]=4 3801 B7R1.4 CC1NCCC1=O MCULE-4206844406 [0,1,0,1,0,0|2,0,0]=4 3802 B7R1.4 CC1NCCC1=O MCULE-7025918222 [0,1,0,1,0,0|2,0,0]=4 3803 B7R1.4 CC1OCCC1=O MCULE-8278816952 [0,1,0,1,0,0|1,0,0]=3 3804 B7R1.4 CC1OCCC1O MCULE-6904695721 [0,1,0,1,0,0|1,0,1]=4 3805 B7R1.4 CC1OCOC1C MCULE-9497186094 [0,1,0,1,0,0|1,0,1]=4 3806 B7R1.4 CC1SCCC1=O MCULE-5264322365 [0,1,0,1,0,0|1,1,0]=4 3807 B7R1.4 CN1CCOC1=O MCULE-7467321799 [0,1,0,1,0,0|2,0,0]=4 3808 B7R1.4 C[C@@H]1CCNC1=O MCULE-1037883660 [0,1,0,1,0,0|2,0,0]=4 3809 B7R1.4 C[C@@H]1COC[C@@H]1O MCULE-3198029643 [0,1,0,1,0,0|1,0,1]=4 3810 B7R1.4 C[C@@H]1COC[C@H]1O MCULE-1967963278 [0,1,0,1,0,0|1,0,1]=4 3811 B7R1.4 C[C@H]1CCNC1=O MCULE-9500360544 [0,1,0,1,0,0|2,0,0]=4 3812 B7R1.4 C[C@H]1COC[C@@H]1O MCULE-3765921602 [0,1,0,1,0,0|1,0,1]=4 3813 B7R1.4 C[C@H]1COC[C@@H]1O MCULE-5201903195 [0,1,0,1,0,0|1,0,1]=4 3814 B7R1.4 C[C@H]1COC[C@H]1O MCULE-2974083166 [0,1,0,1,0,0|1,0,1]=4 3815 B7R1.4 C[C@H]1COC[C@H]1O MCULE-6725207001 [0,1,0,1,0,0|1,0,1]=4 3816 B7R1.4 NC1=CCOC1=O MCULE-9089854091 [0,1,0,1,0,0|1,0,1]=4 3817 B7R1.4 NC1CCCC1=O MCULE-3654949473 [0,1,0,1,0,0|2,0,0]=4 3818 B7R1.4 NC1CCCC1=O MCULE-6579965788 [0,1,0,1,0,0|2,0,0]=4 3819 B7R1.4 NC1CCNC1=O MCULE-2061829370 [0,1,0,1,0,0|2,0,0]=4 3820 B7R1.4 NC1CCNC1=O MCULE-4272585488 [0,1,0,1,0,0|2,0,0]=4 3821 B7R1.4 NC1CCOC1=O MCULE-1011670330 [0,1,0,1,0,0|1,0,0]=3 3822 B7R1.4 NC1CCOC1=O MCULE-1366805966 [0,1,0,1,0,0|1,0,0]=3 3823 B7R1.4 NC1CCOC1=O MCULE-1874490478 [0,1,0,1,0,0|1,0,0]=3 3824 B7R1.4 NC1CCOC1=O MCULE-4434379753 [0,1,0,1,0,0|1,0,0]=3 3825 B7R1.4 NC1CCOC1=O MCULE-7302633352 [0,1,0,1,0,0|1,0,0]=3 3826 B7R1.4 NC1CCOC1=O MCULE-8009953591 [0,1,0,1,0,0|1,0,0]=3 3827 B7R1.4 NC1CCSC1=O MCULE-5181497015 [0,1,0,1,0,0|1,1,0]=4 3828 B7R1.4 NC1CCSC1=O MCULE-8775141567 [0,1,0,1,0,0|1,1,0]=4 3829 B7R1.4 NC1COCC1O MCULE-3115911209 [0,1,0,1,0,0|1,0,1]=4 3830 B7R1.4 NC1COCC1O MCULE-9837103399 [0,1,0,1,0,0|1,0,1]=4 3831 B7R1.4 NC1CONC1=O MCULE-3118867985 [0,1,0,1,0,0|1,0,0]=3 3832 B7R1.4 NC1CONC1=O MCULE-3159218372 [0,1,0,1,0,0|1,0,0]=3 3833 B7R1.4 NN1CCOC1=O MCULE-7407834106 [0,1,0,1,0,0|2,0,0]=4 3834 B7R1.4 NN1CCOC1=O MCULE-8091613930 [0,1,0,1,0,0|2,0,0]=4 3835 B7R1.4 N[C@@H]1CCNC1=O MCULE-2357766642 [0,1,0,1,0,0|2,0,0]=4 3836 B7R1.4 N[C@@H]1CCNC1=O MCULE-9089591546 [0,1,0,1,0,0|2,0,0]=4 3837 B7R1.4 N[C@@H]1CCNC1=O MCULE-9558758567 [0,1,0,1,0,0|2,0,0]=4 3838 B7R1.4 N[C@@H]1CCNC1=O MCULE-9668255740 [0,1,0,1,0,0|2,0,0]=4 3839 B7R1.4 N[C@@H]1CCOC1=O MCULE-1027751896 [0,1,0,1,0,0|1,0,0]=3 3840 B7R1.4 N[C@@H]1CCOC1=O MCULE-4034349263 [0,1,0,1,0,0|1,0,0]=3 3841 B7R1.4 N[C@@H]1CCOC1=O MCULE-8790782772 [0,1,0,1,0,0|1,0,0]=3 3842 B7R1.4 N[C@@H]1CCOC1=O MCULE-9300265861 [0,1,0,1,0,0|1,0,0]=3 3843 B7R1.4 N[C@@H]1CCSC1=O MCULE-1269968791 [0,1,0,1,0,0|1,1,0]=4 3844 B7R1.4 N[C@@H]1CCSC1=O MCULE-5374422420 [0,1,0,1,0,0|1,1,0]=4 3845 B7R1.4 N[C@@H]1CCSC1=O MCULE-8203732076 [0,1,0,1,0,0|1,1,0]=4 3846 B7R1.4 N[C@@H]1CCSC1=O MCULE-8418670804 [0,1,0,1,0,0|1,1,0]=4 3847 B7R1.4 N[C@@H]1COC[C@@H]1O MCULE-2891920420 [0,1,0,1,0,0|1,0,1]=4 3848 B7R1.4 N[C@@H]1COC[C@@H]1O MCULE-5764643856 [0,1,0,1,0,0|1,0,1]=4 3849 B7R1.4 N[C@@H]1COC[C@H]1O MCULE-1399984261 [0,1,0,1,0,0|1,0,1]=4 3850 B7R1.4 N[C@@H]1COC[C@H]1O MCULE-2321912677 [0,1,0,1,0,0|1,0,1]=4 3851 B7R1.4 N[C@@H]1COC[C@H]1O MCULE-4422404071 [0,1,0,1,0,0|1,0,1]=4 3852 B7R1.4 N[C@@H]1COC[C@H]1O MCULE-7801515292 [0,1,0,1,0,0|1,0,1]=4 3853 B7R1.4 N[C@@H]1COC[C@H]1O MCULE-9112718041 [0,1,0,1,0,0|1,0,1]=4 3854 B7R1.4 N[C@@H]1COC[C@H]1O MCULE-9447703783 [0,1,0,1,0,0|1,0,1]=4 3855 B7R1.4 N[C@@H]1CONC1=O MCULE-4212827696 [0,1,0,1,0,0|1,0,0]=3 3856 B7R1.4 N[C@@H]1CONC1=O MCULE-6014142329 [0,1,0,1,0,0|1,0,0]=3 3857 B7R1.4 N[C@H]1CCNC1=O MCULE-2327147408 [0,1,0,1,0,0|2,0,0]=4 3858 B7R1.4 N[C@H]1CCNC1=O MCULE-2923469662 [0,1,0,1,0,0|2,0,0]=4 3859 B7R1.4 N[C@H]1CCNC1=O MCULE-5882745021 [0,1,0,1,0,0|2,0,0]=4 3860 B7R1.4 N[C@H]1CCNC1=O MCULE-7846724738 [0,1,0,1,0,0|2,0,0]=4 3861 B7R1.4 N[C@H]1CCOC1=O MCULE-4393293388 [0,1,0,1,0,0|1,0,0]=3 3862 B7R1.4 N[C@H]1CCOC1=O MCULE-4751602783 [0,1,0,1,0,0|1,0,0]=3 3863 B7R1.4 N[C@H]1CCOC1=O MCULE-7924572479 [0,1,0,1,0,0|1,0,0]=3 3864 B7R1.4 N[C@H]1CCOC1=O MCULE-8545644747 [0,1,0,1,0,0|1,0,0]=3 3865 B7R1.4 N[C@H]1CCOC1=O MCULE-8634641228 [0,1,0,1,0,0|1,0,0]=3 3866 B7R1.4 N[C@H]1CCSC1=O MCULE-4497814170 [0,1,0,1,0,0|1,1,0]=4 3867 B7R1.4 N[C@H]1CCSC1=O MCULE-6209097230 [0,1,0,1,0,0|1,1,0]=4 3868 B7R1.4 N[C@H]1CCSC1=O MCULE-6419348515 [0,1,0,1,0,0|1,1,0]=4 3869 B7R1.4 N[C@H]1CCSC1=O MCULE-9091827364 [0,1,0,1,0,0|1,1,0]=4 3870 B7R1.4 N[C@H]1COC[C@@H]1O MCULE-1604156911 [0,1,0,1,0,0|1,0,1]=4 3871 B7R1.4 N[C@H]1COC[C@@H]1O MCULE-3157811195 [0,1,0,1,0,0|1,0,1]=4 3872 B7R1.4 N[C@H]1COC[C@@H]1O MCULE-4377495223 [0,1,0,1,0,0|1,0,1]=4 3873 B7R1.4 N[C@H]1COC[C@@H]1O MCULE-8412403655 [0,1,0,1,0,0|1,0,1]=4 3874 B7R1.4 N[C@H]1COC[C@H]1O MCULE-5907972681 [0,1,0,1,0,0|1,0,1]=4 3875 B7R1.4 N[C@H]1COC[C@H]1O MCULE-7502895716 [0,1,0,1,0,0|1,0,1]=4 3876 B7R1.4 N[C@H]1COC[C@H]1O MCULE-8985833831 [0,1,0,1,0,0|1,0,1]=4 3877 B7R1.4 N[C@H]1COC[C@H]1O MCULE-9971794275 [0,1,0,1,0,0|1,0,1]=4 3878 B7R1.4 N[C@H]1CONC1=O MCULE-4286940154 [0,1,0,1,0,0|1,0,0]=3 3879 B7R1.4 N[C@H]1CONC1=O MCULE-9925977120 [0,1,0,1,0,0|1,0,0]=3 3880 B7R1.4 O=C1CCC=C1O MCULE-8745661989 [0,1,0,1,0,0|1,0,1]=4 3881 B7R1.4 O=C1CCCC1Br MCULE-3651373380 [0,1,0,1,0,0|2,0,0]=4 3882 B7R1.4 O=C1CCCC1Cl MCULE-7745647260 [0,1,0,1,0,0|2,0,0]=4 3883 B7R1.4 O=C1CCCC1F MCULE-8001765295 [0,1,0,1,0,0|2,0,0]=4 3884 B7R1.4 O=C1CCCC1O MCULE-6795188798 [0,1,0,1,0,0|1,0,0]=3 3885 B7R1.4 O=C1NCCC1Br MCULE-5321265801 [0,1,0,1,0,0|2,0,0]=4 3886 B7R1.4 O=C1NCCC1Cl MCULE-1663035789 [0,1,0,1,0,0|2,0,0]=4 3887 B7R1.4 O=C1NCCC1F MCULE-2209899044 [0,1,0,1,0,0|2,0,0]=4 3888 B7R1.4 O=C1NCCC1O MCULE-8818841339 [0,1,0,1,0,0|1,0,0]=3 3889 B7R1.4 O=C1NCCC1O MCULE-9662824811 [0,1,0,1,0,0|1,0,0]=3 3890 B7R1.4 O=C1NCC[C@@H]1O MCULE-3212474164 [0,1,0,1,0,0|1,0,0]=3 3891 B7R1.4 O=C1NCC[C@@H]1O MCULE-7816291255 [0,1,0,1,0,0|1,0,0]=3 3892 B7R1.4 O=C1NCC[C@H]1O MCULE-1281835510 [0,1,0,1,0,0|1,0,0]=3 3893 B7R1.4 O=C1NCC[C@H]1O MCULE-6809356348 [0,1,0,1,0,0|1,0,0]=3 3894 B7R1.4 O=C1OCC=C1Br MCULE-9287853531 [0,1,0,1,0,0|1,0,1]=4 3895 B7R1.4 O=C1OCCC1Br MCULE-8316114331 [0,1,0,1,0,0|1,0,0]=3 3896 B7R1.4 O=C1OCCC1O MCULE-2144002601 [0,1,0,1,0,0|0,0,0]=2 3897 B7R1.4 O=C1OCCC1S MCULE-2130434062 [0,1,0,1,0,0|0,1,0]=3 3898 B7R1.4 O=C1OCC[C@@H]1O MCULE-7764011790 [0,1,0,1,0,0|0,0,0]=2 3899 B7R1.4 O=C1OCC[C@@H]1O MCULE-9001729998 [0,1,0,1,0,0|0,0,0]=2 3900 B7R1.4 O=C1OCC[C@H]1O MCULE-6949645282 [0,1,0,1,0,0|0,0,0]=2 3901 B7R1.4 O=C1OCC[C@H]1O MCULE-7110242636 [0,1,0,1,0,0|0,0,0]=2 3902 B7R1.4 OC1CCC=C1Br MCULE-2577502971 [0,1,0,1,0,0|2,0,0]=4 3903 B7R1.4 OC1CCCC1O MCULE-2003945768 [0,1,0,1,0,0|1,0,1]=4 3904 B7R1.4 OC1CNCC1O MCULE-4416566731 [0,1,0,1,0,0|1,0,1]=4 3905 B7R1.4 OC1CNCC1O MCULE-7287658845 [0,1,0,1,0,0|1,0,1]=4 3906 B7R1.4 OC1COCC1Br MCULE-8642236751 [0,1,0,1,0,0|1,0,1]=4 3907 B7R1.4 OC1COCC1F MCULE-3255803142 [0,1,0,1,0,0|1,0,1]=4 3908 B7R1.4 OC1COCC1O MCULE-2982401803 [0,1,0,1,0,0|0,0,2]=4 3909 B7R1.4 O[C@@H]1CCC[C@H]1O MCULE-3171045763 [0,1,0,1,0,0|1,0,1]=4 3910 B7R1.4 O[C@@H]1CCC[C@H]1O MCULE-4369287998 [0,1,0,1,0,0|1,0,1]=4 3911 B7R1.4 O[C@@H]1CNC[C@H]1O MCULE-2199886254 [0,1,0,1,0,0|1,0,1]=4 3912 B7R1.4 O[C@@H]1CNC[C@H]1O MCULE-3341203076 [0,1,0,1,0,0|1,0,1]=4 3913 B7R1.4 O[C@@H]1CNC[C@H]1O MCULE-5521619072 [0,1,0,1,0,0|1,0,1]=4 3914 B7R1.4 O[C@@H]1COC[C@H]1F MCULE-2460253154 [0,1,0,1,0,0|1,0,1]=4 3915 B7R1.4 O[C@@H]1COC[C@H]1F MCULE-3624406213 [0,1,0,1,0,0|1,0,1]=4 3916 B7R1.4 O[C@@H]1COC[C@H]1O MCULE-5846282762 [0,1,0,1,0,0|0,0,2]=4 3917 B7R1.4 O[C@H]1CCC[C@@H]1O MCULE-4051443060 [0,1,0,1,0,0|1,0,1]=4 3918 B7R1.4 O[C@H]1CCC[C@@H]1O MCULE-4644231649 [0,1,0,1,0,0|1,0,1]=4 3919 B7R1.4 O[C@H]1CCC[C@@H]1O MCULE-6847877597 [0,1,0,1,0,0|1,0,1]=4 3920 B7R1.4 O[C@H]1CCC[C@H]1O MCULE-7305350842 [0,1,0,1,0,0|1,0,1]=4 3921 B7R1.4 O[C@H]1CNC[C@@H]1O MCULE-5585016580 [0,1,0,1,0,0|1,0,1]=4 3922 B7R1.4 O[C@H]1CNC[C@@H]1O MCULE-6252837981 [0,1,0,1,0,0|1,0,1]=4 3923 B7R1.4 O[C@H]1CNC[C@@H]1O MCULE-7474807017 [0,1,0,1,0,0|1,0,1]=4 3924 B7R1.4 O[C@H]1CNC[C@@H]1O MCULE-8814174366 [0,1,0,1,0,0|1,0,1]=4 3925 B7R1.4 O[C@H]1CNC[C@@H]1O MCULE-9936814184 [0,1,0,1,0,0|1,0,1]=4 3926 B7R1.4 O[C@H]1CNC[C@H]1O MCULE-8087937166 [0,1,0,1,0,0|1,0,1]=4 3927 B7R1.4 O[C@H]1CNC[C@H]1O MCULE-9522092804 [0,1,0,1,0,0|1,0,1]=4 3928 B7R1.4 O[C@H]1COC[C@@H]1F MCULE-7724910066 [0,1,0,1,0,0|1,0,1]=4 3929 B7R1.4 O[C@H]1COC[C@@H]1O MCULE-2140544466 [0,1,0,1,0,0|0,0,2]=4 3930 B7R1.4 O[C@H]1COC[C@@H]1O MCULE-9526811966 [0,1,0,1,0,0|0,0,2]=4 3931 B7R1.4 O[C@H]1COC[C@H]1O MCULE-2862505352 [0,1,0,1,0,0|0,0,2]=4 3932 B7R1.4 [C@@H]1(CNC[C@@H]1O)O MCULE-2661544949 [0,1,0,1,0,0|1,0,1]=4 3933 B7R1.4 [NH3+][C@H]1CCOC1=O MCULE-8903471982 [0,1,0,1,0,0|1,0,0]=3 3934 B7R1.8 CCC1CCC1=O MCULE-5109615435 [0,1,0,1,0,0|2,0,0]=4 3935 B7R1.8 COC1CCC1=O MCULE-6511996246 [0,1,0,1,0,0|1,0,0]=3 3936 B7R1.8 CSC1CCC1=O MCULE-3892720319 [0,1,0,1,0,0|1,1,0]=4 3937 B7R1.8 N#CC1CCC1=O MCULE-3371494435 [0,1,0,1,0,0|2,0,0]=4 3938 B7R1.8 O=C1CCC1CO MCULE-5501600764 [0,1,0,1,0,0|1,0,0]=3 3939 B7R1.8 O=C1CC[C@@H]1CO MCULE-9840363539 [0,1,0,1,0,0|1,0,0]=3 3940 B7R1.8 OCC1CCC1O MCULE-9764745395 [0,1,0,1,0,0|1,0,1]=4 3941 B7R1.8 OC[C@@H]1CC[C@H]1O MCULE-5043281368 [0,1,0,1,0,0|1,0,1]=4 3942 B7R1.8 OC[C@H]1CC[C@H]1O MCULE-1536326248 [0,1,0,1,0,0|1,0,1]=4 3943 B7R1.15 CC1CC(=O)C1C MCULE-1068922218 [0,1,0,1,0,0|2,0,0]=4 3944 B7R1.15 C[C@@H]1NC(=O)[C@H]1N MCULE-2032555036 [0,1,0,1,0,0|2,0,0]=4 3945 B7R1.15 C[C@@H]1NC(=O)[C@H]1N MCULE-2738127555 [0,1,0,1,0,0|2,0,0]=4 3946 B7R1.15 C[C@@H]1NC(=O)[C@H]1N MCULE-5044901082 [0,1,0,1,0,0|2,0,0]=4 3947 B7R1.15 C[C@@H]1NC(=O)[C@H]1N MCULE-7632990759 [0,1,0,1,0,0|2,0,0]=4 3948 B7R1.17 CC1(CCC1=O)C MCULE-3723871956 [0,1,0,1,0,0|2,0,0]=4 3949 B7R1.17 CC1(CNC1=O)C MCULE-3476087791 [0,1,0,1,0,0|2,0,0]=4 3950 B7R1.17 CC1(OCC1=O)C MCULE-5758313494 [0,1,0,1,0,0|1,0,0]=3 3951 B7R1.17 CC1(OCC1O)C MCULE-4679216060 [0,1,0,1,0,0|1,0,1]=4 3952 B7R1.17 O=C1CCC1(Br)Br MCULE-8976658449 [0,1,0,1,0,0|2,0,0]=4 3953 B7R1.17 O=C1CCC1(F)F MCULE-4827224161 [0,1,0,1,0,0|2,0,0]=4 3954 B7R1.18 C1(CCN1)C(=O)O MCULE-9324355017 [0,1,0,1,0,0|1,0,0]=3 3955 B7R1.18 CC(=O)C1CCC1 MCULE-5770046789 [0,1,0,1,0,0|2,0,0]=4 3956 B7R1.18 CC(=O)C1CNC1 MCULE-2354733934 [0,1,0,1,0,0|2,0,0]=4 3957 B7R1.18 CC(=O)C1CNC1 MCULE-3110609785 [0,1,0,1,0,0|2,0,0]=4 3958 B7R1.18 CC(=O)C1CNC1 MCULE-4112322251 [0,1,0,1,0,0|2,0,0]=4 3959 B7R1.18 CC(=O)C1COC1 MCULE-3416774210 [0,1,0,1,0,0|1,0,0]=3 3960 B7R1.18 CC(O)C1COC1 MCULE-4981198639 [0,1,0,1,0,0|1,0,1]=4 3961 B7R1.18 C[C@@H](O)C1COC1 MCULE-5223611242 [0,1,0,1,0,0|1,0,1]=4 3962 B7R1.18 C[C@@H](O)C1COC1 MCULE-5819578881 [0,1,0,1,0,0|1,0,1]=4 3963 B7R1.18 C[C@H](O)C1COC1 MCULE-1396791034 [0,1,0,1,0,0|1,0,1]=4 3964 B7R1.18 C[C@H](O)C1COC1 MCULE-8805369596 [0,1,0,1,0,0|1,0,1]=4 3965 B7R1.18 NC(=O)C1CCC1 MCULE-5151176129 [0,1,0,1,0,0|2,0,0]=4 3966 B7R1.18 NC(=O)C1CCN1 MCULE-1856696035 [0,1,0,1,0,0|2,0,0]=4 3967 B7R1.18 NC(=O)C1CCN1 MCULE-5757704016 [0,1,0,1,0,0|2,0,0]=4 3968 B7R1.18 NC(=O)C1CNC1 MCULE-2319282799 [0,1,0,1,0,0|2,0,0]=4 3969 B7R1.18 NC(=O)C1CNC1 MCULE-4985073048 [0,1,0,1,0,0|2,0,0]=4 3970 B7R1.18 NC(=O)C1CNC1 MCULE-8796959516 [0,1,0,1,0,0|2,0,0]=4 3971 B7R1.18 NC(=O)C1COC1 MCULE-1077689713 [0,1,0,1,0,0|1,0,0]=3 3972 B7R1.18 NC(=O)[C@H]1CCN1 MCULE-7187425143 [0,1,0,1,0,0|2,0,0]=4 3973 B7R1.18 O=C(Cl)C1CCC1 MCULE-2155859428 [0,1,0,1,0,0|2,0,0]=4 3974 B7R1.18 O=C(O)C1=CCC1 MCULE-4244912351 [0,1,0,1,0,0|1,0,1]=4 3975 B7R1.18 O=C(O)C1CCC1 MCULE-2498509888 [0,1,0,1,0,0|1,0,0]=3 3976 B7R1.18 O=C(O)C1CCN1 MCULE-1336085891 [0,1,0,1,0,0|1,0,0]=3 3977 B7R1.18 O=C(O)C1CCN1 MCULE-6501890131 [0,1,0,1,0,0|1,0,0]=3 3978 B7R1.18 O=C(O)C1CCN1 MCULE-7647115314 [0,1,0,1,0,0|1,0,0]=3 3979 B7R1.18 O=C(O)C1CCO1 MCULE-6065911736 [0,1,0,1,0,0|0,0,0]=2 3980 B7R1.18 O=C(O)C1CCO1 MCULE-9296370119 [0,1,0,1,0,0|0,0,0]=2 3981 B7R1.18 O=C(O)C1CNC1 MCULE-2350328355 [0,1,0,1,0,0|1,0,0]=3 3982 B7R1.18 O=C(O)C1CNC1 MCULE-7890374869 [0,1,0,1,0,0|1,0,0]=3 3983 B7R1.18 O=C(O)C1COC1 MCULE-2530431165 [0,1,0,1,0,0|0,0,0]=2 3984 B7R1.18 O=C(O)C1CSC1 MCULE-4019152056 [0,1,0,1,0,0|0,1,0]=3 3985 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-2126306157 [0,1,0,1,0,0|1,0,0]=3 3986 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-2597576629 [0,1,0,1,0,0|1,0,0]=3 3987 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-6006656004 [0,1,0,1,0,0|1,0,0]=3 3988 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-7241612713 [0,1,0,1,0,0|1,0,0]=3 3989 B7R1.18 O=C(O)[C@@H]1CCO1 MCULE-5117442811 [0,1,0,1,0,0|0,0,0]=2 3990 B7R1.18 O=C(O)[C@@H]1CCO1 MCULE-8116248615 [0,1,0,1,0,0|0,0,0]=2 3991 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-3254184046 [0,1,0,1,0,0|1,0,0]=3 3992 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-5162570273 [0,1,0,1,0,0|1,0,0]=3 3993 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-5488052558 [0,1,0,1,0,0|1,0,0]=3 3994 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-8240936495 [0,1,0,1,0,0|1,0,0]=3 3995 B7R1.18 O=C(O)[C@H]1CCO1 MCULE-5499247834 [0,1,0,1,0,0|0,0,0]=2 3996 B7R1.18 O=C(O)[C@H]1CCO1 MCULE-7468207073 [0,1,0,1,0,0|0,0,0]=2 3997 B7R1.18 O=N(=O)C1COC1 MCULE-1243582303 [0,1,0,1,0,0|1,0,1]=4 3998 B7R1.19 CC(=O)C1(CC1)Br MCULE-6185731473 [0,1,0,1,0,0|2,0,0]=4 3999 B7R1.19 CC(=O)C1(CC1)C MCULE-8745387740 [0,1,0,1,0,0|2,0,0]=4 4000 B7R1.19 CC(=O)C1(CC1)Cl MCULE-5975776904 [0,1,0,1,0,0|2,0,0]=4 4001 B7R1.19 CC(=O)C1(CC1)F MCULE-5848997919 [0,1,0,1,0,0|2,0,0]=4 4002 B7R1.19 CC(=O)C1(CC1)N MCULE-2138315633 [0,1,0,1,0,0|2,0,0]=4 4003 B7R1.19 CC(=O)C1(CC1)N MCULE-4094057841 [0,1,0,1,0,0|2,0,0]=4 4004 B7R1.19 CC(=O)C1(CO1)C MCULE-3263824467 [0,1,0,1,0,0|1,0,0]=3 4005 B7R1.19 CC1(CC1)C(=O)Cl MCULE-6881294103 [0,1,0,1,0,0|2,0,0]=4 4006 B7R1.19 CC1(CC1)C(=O)N MCULE-7674282751 [0,1,0,1,0,0|2,0,0]=4 4007 B7R1.19 CC1(CC1)C(=O)O MCULE-6220717648 [0,1,0,1,0,0|1,0,0]=3 4008 B7R1.19 CC1(CO1)C(=O)O MCULE-9344660544 [0,1,0,1,0,0|0,0,0]=2 4009 B7R1.19 CC1(CS1)C(=O)N MCULE-5046393193 [0,1,0,1,0,0|1,1,0]=4 4010 B7R1.19 NC(=O)C1(CC1)Br MCULE-5824122510 [0,1,0,1,0,0|2,0,0]=4 4011 B7R1.19 NC(=O)C1(CC1)N MCULE-3982594366 [0,1,0,1,0,0|2,0,0]=4 4012 B7R1.19 NC(=O)C1(CC1)N MCULE-7935338610 [0,1,0,1,0,0|2,0,0]=4 4013 B7R1.19 NC(=O)C1(CC1)O MCULE-6542611632 [0,1,0,1,0,0|1,0,0]=3 4014 B7R1.19 NC1(CC1)C(=O)Cl MCULE-1901749245 [0,1,0,1,0,0|2,0,0]=4 4015 B7R1.19 NC1(CC1)C(=O)Cl MCULE-4354269723 [0,1,0,1,0,0|2,0,0]=4 4016 B7R1.19 NC1(CC1)C(=O)O MCULE-8718774934 [0,1,0,1,0,0|1,0,0]=3 4017 B7R1.19 NC1(CC1)C(=O)O MCULE-8788149299 [0,1,0,1,0,0|1,0,0]=3 4018 B7R1.19 O=C(O)C1(CC1)Br MCULE-9862099846 [0,1,0,1,0,0|1,0,0]=3 4019 B7R1.19 O=C(O)C1(CC1)Cl MCULE-9183003328 [0,1,0,1,0,0|1,0,0]=3 4020 B7R1.19 O=C(O)C1(CC1)F MCULE-1230430743 [0,1,0,1,0,0|1,0,0]=3 4021 B7R1.19 O=C(O)C1(CC1)I MCULE-7977320561 [0,1,0,1,0,0|1,0,0]=3 4022 B7R1.19 O=C(O)C1(CC1)O MCULE-7923609070 [0,1,0,1,0,0|0,0,0]=2 4023 B7R1.22 C/C(=N/O)/C1CC1 MCULE-9504873944 [0,1,0,1,0,0|2,0,0]=4 4024 B7R1.22 C1(CO1)C(=O)OC MCULE-1350193594 [0,1,0,1,0,0|0,0,0]=2 4025 B7R1.22 C=CC(=O)C1CC1 MCULE-4167270466 [0,1,0,1,0,0|2,0,0]=4 4026 B7R1.22 C=C[C@H](O)[C@H]1CO1 MCULE-8949250499 [0,1,0,1,0,0|1,0,1]=4 4027 B7R1.22 CC(=NO)C1CC1 MCULE-2639658638 [0,1,0,1,0,0|2,0,0]=4 4028 B7R1.22 CCC(=O)C1CC1 MCULE-6231785303 [0,1,0,1,0,0|2,0,0]=4 4029 B7R1.22 CNC(=O)C1CC1 MCULE-5799863193 [0,1,0,1,0,0|2,0,0]=4 4030 B7R1.22 COC(=N)C1CC1 MCULE-3594886802 [0,1,0,1,0,0|2,0,0]=4 4031 B7R1.22 COC(=N)C1CC1 MCULE-6548060912 [0,1,0,1,0,0|2,0,0]=4 4032 B7R1.22 COC(=O)C1CC1 MCULE-3338113454 [0,1,0,1,0,0|1,0,0]=3 4033 B7R1.22 COC(=O)C1CN1 MCULE-2166427972 [0,1,0,1,0,0|1,0,0]=3 4034 B7R1.22 COC(=O)C1CO1 MCULE-1745412030 [0,1,0,1,0,0|0,0,0]=2 4035 B7R1.22 COC(=O)N1CC1 MCULE-2788788116 [0,1,0,1,0,0|2,0,0]=4 4036 B7R1.22 COC(=O)[C@@H]1CN1 MCULE-1955059175 [0,1,0,1,0,0|1,0,0]=3 4037 B7R1.22 COC(=O)[C@@H]1CN1 MCULE-5011635876 [0,1,0,1,0,0|1,0,0]=3 4038 B7R1.22 COC(=O)[C@@H]1CO1 MCULE-2259836812 [0,1,0,1,0,0|0,0,0]=2 4039 B7R1.22 COC(=O)[C@H]1CN1 MCULE-5882979938 [0,1,0,1,0,0|1,0,0]=3 4040 B7R1.22 COC(=O)[C@H]1CN1 MCULE-8601280412 [0,1,0,1,0,0|1,0,0]=3 4041 B7R1.22 COC(=O)[C@H]1CO1 MCULE-5568309714 [0,1,0,1,0,0|0,0,0]=2 4042 B7R1.22 COC(=O)[C@H]1CO1 MCULE-9432053348 [0,1,0,1,0,0|0,0,0]=2 4043 B7R1.22 N/C(=N\O)/C1CC1 MCULE-1839060575 [0,1,0,1,0,0|2,0,0]=4 4044 B7R1.22 N/C(=N\O)/C1CC1 MCULE-7991254390 [0,1,0,1,0,0|2,0,0]=4 4045 B7R1.22 NCC(=O)C1CC1 MCULE-1927654168 [0,1,0,1,0,0|2,0,0]=4 4046 B7R1.22 NCC(=O)C1CC1 MCULE-4415662894 [0,1,0,1,0,0|2,0,0]=4 4047 B7R1.22 NNC(=O)C1CC1 MCULE-3608531301 [0,1,0,1,0,0|2,0,0]=4 4048 B7R1.22 O=C(CBr)C1CC1 MCULE-1037373080 [0,1,0,1,0,0|2,0,0]=4 4049 B7R1.22 O=C(CCl)C1CC1 MCULE-9791345328 [0,1,0,1,0,0|2,0,0]=4 4050 B7R1.22 O=C(CO)C1CC1 MCULE-4276266642 [0,1,0,1,0,0|1,0,0]=3 4051 B7R1.22 O=C(NO)C1CC1 MCULE-2299815322 [0,1,0,1,0,0|1,0,0]=3 4052 B7R1.22 [C@H]1(CO1)C(=O)OC MCULE-2114123664 [0,1,0,1,0,0|0,0,0]=2 4053 B7R1.26 CC(C)(O)C1CO1 MCULE-7074440148 [0,1,0,1,0,0|1,0,1]=4 4054 B7R2.1 C1O[C@@H]1[C@@H]2CO2 MCULE-3158496673 [0,0,0,2,0,0|1,0,1]=4 4055 B7R2.1 C1O[C@@H]1[C@@H]2CO2 MCULE-4139336692 [0,0,0,2,0,0|1,0,1]=4 4056 B7R0.6 C=C(C)CCC(=O)O MCULE-8738532812 [0,0,0,0,0,2|1,0,1]=4 4057 B7R0.6 C=C(C)CCC(C)O MCULE-5005514248 [0,0,0,0,0,2|2,0,0]=4 4058 B7R0.6 C=C(C)NCC(=O)O MCULE-6347105994 [0,0,0,0,0,2|1,0,1]=4 4059 B7R0.6 CC(=CCC(=O)O)C MCULE-2552993418 [0,0,0,0,0,2|1,0,1]=4 4060 B7R0.6 CC(=O)/C=C/C(=O)O MCULE-8768861026 [0,0,0,0,0,2|0,0,2]=4 4061 B7R0.6 CC(=O)C=CC(=O)O MCULE-6867353277 [0,0,0,0,0,2|0,0,2]=4 4062 B7R0.6 CC(=O)C=CC(C)C MCULE-7908862390 [0,0,0,0,0,2|2,0,0]=4 4063 B7R0.6 CC(=O)CCC(=O)O MCULE-1392778065 [0,0,0,0,0,2|0,0,2]=4 4064 B7R0.6 CC(=O)CCC(C)C MCULE-8518693213 [0,0,0,0,0,2|2,0,0]=4 4065 B7R0.6 CC(=O)CNC(C)C MCULE-2033555652 [0,0,0,0,0,2|2,0,0]=4 4066 B7R0.6 CC(=O)CNC(C)C MCULE-2990661777 [0,0,0,0,0,2|2,0,0]=4 4067 B7R0.6 CC(=O)COC(C)C MCULE-4426769810 [0,0,0,0,0,2|2,0,0]=4 4068 B7R0.6 CC(=O)CSC(C)C MCULE-6486341454 [0,0,0,0,0,2|2,0,0]=4 4069 B7R0.6 CC(=O)NCC(=O)O MCULE-5811325186 [0,0,0,0,0,2|0,0,2]=4 4070 B7R0.6 CC(=O)NCC(C)O MCULE-2406798273 [0,0,0,0,0,2|1,0,0]=3 4071 B7R0.6 CC(=O)NNC(C)C MCULE-8896858149 [0,0,0,0,0,2|2,0,0]=4 4072 B7R0.6 CC(=O)OCC(=O)O MCULE-6837320824 [0,0,0,0,0,2|0,0,2]=4 4073 B7R0.6 CC(=O)OCC(C)C MCULE-4530584087 [0,0,0,0,0,2|2,0,0]=4 4074 B7R0.6 CC(=O)OCC(C)O MCULE-3660209140 [0,0,0,0,0,2|1,0,0]=3 4075 B7R0.6 CC(=O)SCC(=O)O MCULE-1974657694 [0,0,0,0,0,2|0,0,2]=4 4076 B7R0.6 CC(=S)NCC(=O)O MCULE-9052571833 [0,0,0,0,0,2|0,1,1]=4 4077 B7R0.6 CC(C)/C=C/C(=O)O MCULE-1713089516 [0,0,0,0,0,2|1,0,0]=3 4078 B7R0.6 CC(C)C#CC(=O)O MCULE-6919480170 [0,0,0,0,0,2|1,0,0]=3 4079 B7R0.6 CC(C)C=CC(=O)O MCULE-3981825295 [0,0,0,0,0,2|1,0,0]=3 4080 B7R0.6 CC(C)CCC(=O)Cl MCULE-6874903195 [0,0,0,0,0,2|2,0,0]=4 4081 B7R0.6 CC(C)CCC(=O)N MCULE-3571818514 [0,0,0,0,0,2|2,0,0]=4 4082 B7R0.6 CC(C)CCC(=O)O MCULE-7691755837 [0,0,0,0,0,2|1,0,0]=3 4083 B7R0.6 CC(C)CNC(=O)N MCULE-8112905719 [0,0,0,0,0,2|2,0,0]=4 4084 B7R0.6 CC(C)COC(=O)Cl MCULE-4183178448 [0,0,0,0,0,2|2,0,0]=4 4085 B7R0.6 CC(C)COC(=O)N MCULE-3163620577 [0,0,0,0,0,2|2,0,0]=4 4086 B7R0.6 CC(C)NCC(=O)Cl MCULE-3841055671 [0,0,0,0,0,2|2,0,0]=4 4087 B7R0.6 CC(C)NCC(=O)N MCULE-3100213662 [0,0,0,0,0,2|2,0,0]=4 4088 B7R0.6 CC(C)NCC(=O)N MCULE-9178070179 [0,0,0,0,0,2|2,0,0]=4 4089 B7R0.6 CC(C)NCC(=O)O MCULE-4344882030 [0,0,0,0,0,2|1,0,0]=3 4090 B7R0.6 CC(C)NCC(=O)O MCULE-7052227156 [0,0,0,0,0,2|1,0,0]=3 4091 B7R0.6 CC(C)OCC(=O)Cl MCULE-5892054766 [0,0,0,0,0,2|2,0,0]=4 4092 B7R0.6 CC(C)OCC(=O)O MCULE-8295905061 [0,0,0,0,0,2|1,0,0]=3 4093 B7R0.6 CC(C)SCC(=O)O MCULE-3990750464 [0,0,0,0,0,2|1,0,0]=3 4094 B7R0.6 CC(Cl)CCC(=O)Cl MCULE-3066199297 [0,0,0,0,0,2|2,0,0]=4 4095 B7R0.6 CC(N)CCC(=O)O MCULE-3711689460 [0,0,0,0,0,2|1,0,0]=3 4096 B7R0.6 CC(N)CCC(=O)O MCULE-5008572656 [0,0,0,0,0,2|1,0,0]=3 4097 B7R0.6 CC(O)C#CC(C)O MCULE-5307271719 [0,0,0,0,0,2|1,0,1]=4 4098 B7R0.6 CC(O)C=CC(C)O MCULE-1362403822 [0,0,0,0,0,2|1,0,1]=4 4099 B7R0.6 CC(O)CCC(=O)O MCULE-6352217997 [0,0,0,0,0,2|0,0,0]=2 4100 B7R0.6 CC(O)CCC(=O)[O-] MCULE-5872581098 [0,0,0,0,0,2|0,0,1]=3 4101 B7R0.6 CC(O)CCC(C)O MCULE-6170497684 [0,0,0,0,0,2|1,0,1]=4 4102 B7R0.6 CC(S)CCC(=O)O MCULE-9612173883 [0,0,0,0,0,2|0,1,0]=3 4103 B7R0.6 CN(C)CCC(=O)O MCULE-5553815845 [0,0,0,0,0,2|2,0,0]=4 4104 B7R0.6 CN(C)CCC(=O)O MCULE-7454823322 [0,0,0,0,0,2|2,0,0]=4 4105 B7R0.6 CS(=O)CCC(=O)O MCULE-8243349779 [0,0,0,0,0,2|1,0,1]=4 4106 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-3295260637 [0,0,0,0,0,2|1,0,0]=3 4107 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-5409083898 [0,0,0,0,0,2|1,0,0]=3 4108 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-6530230723 [0,0,0,0,0,2|1,0,0]=3 4109 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-7530095699 [0,0,0,0,0,2|1,0,0]=3 4110 B7R0.6 C[C@@H](O)CC[C@@H](C)O MCULE-3982464496 [0,0,0,0,0,2|1,0,1]=4 4111 B7R0.6 C[C@@H](O)CC[C@@H](C)O MCULE-6083261012 [0,0,0,0,0,2|1,0,1]=4 4112 B7R0.6 C[C@@H](O)CC[C@@H](C)O MCULE-8142548171 [0,0,0,0,0,2|1,0,1]=4 4113 B7R0.6 C[C@@H](O)COC(=O)O MCULE-3794886346 [0,0,0,0,0,2|0,0,0]=2 4114 B7R0.6 C[C@H](N)CCC(=O)O MCULE-3621527632 [0,0,0,0,0,2|1,0,0]=3 4115 B7R0.6 C[C@H](N)CCC(=O)O MCULE-7670557122 [0,0,0,0,0,2|1,0,0]=3 4116 B7R0.6 C[C@H](O)CC[C@H](C)O MCULE-5867971604 [0,0,0,0,0,2|1,0,1]=4 4117 B7R0.6 C[C@H](O)CC[C@H](C)O MCULE-7024859164 [0,0,0,0,0,2|1,0,1]=4 4118 B7R0.6 C[S+](C)CCC(=O)O MCULE-8115187503 [0,0,0,0,0,2|2,0,0]=4 4119 B7R0.6 C[S+](C)CCC(=O)O MCULE-9668037011 [0,0,0,0,0,2|2,0,0]=4 4120 B7R0.6 O=C(O)/C=C/C(=O)O MCULE-3549142744 [0,0,0,0,0,2|1,0,1]=4 4121 B7R0.6 O=C(O)/C=C/C(=O)O MCULE-5263906793 [0,0,0,0,0,2|1,0,1]=4 4122 B7R0.6 O=C(O)/C=C\C(=O)O MCULE-1113222985 [0,0,0,0,0,2|1,0,1]=4 4123 B7R0.6 O=C(O)C#CC(=O)O MCULE-3952041688 [0,0,0,0,0,2|1,0,1]=4 4124 B7R0.6 O=C(O)C=CC(=O)O MCULE-5329407890 [0,0,0,0,0,2|1,0,1]=4 4125 B7R0.6 O=C(O)C=CC(=O)O MCULE-7492596773 [0,0,0,0,0,2|1,0,1]=4 4126 B7R0.6 O=C(O)C=CC(=O)O MCULE-8076793268 [0,0,0,0,0,2|1,0,1]=4 4127 B7R0.6 O=C(O)C=CC(=O)O MCULE-9488315563 [0,0,0,0,0,2|1,0,1]=4 4128 B7R0.6 O=C(O)C=CC(=O)O MCULE-9920754312 [0,0,0,0,0,2|1,0,1]=4 4129 B7R0.6 O=C(O)C=CC(F)F MCULE-5853046592 [0,0,0,0,0,2|2,0,0]=4 4130 B7R0.6 O=C(O)CCB(O)O MCULE-9351023222 [0,0,0,0,0,2|2,0,0]=4 4131 B7R0.6 O=C(O)CCC(=O)O MCULE-1233211613 [0,0,0,0,0,2|1,0,1]=4 4132 B7R0.6 O=C(O)CCC(=O)O MCULE-5889111640 [0,0,0,0,0,2|1,0,1]=4 4133 B7R0.6 O=C(O)CCC(F)F MCULE-6002651269 [0,0,0,0,0,2|2,0,0]=4 4134 B7R0.6 O=C(O)COC(F)F MCULE-1418551422 [0,0,0,0,0,2|2,0,0]=4 4135 B7R0.6 O=C(O)CSC(F)F MCULE-6609650116 [0,0,0,0,0,2|2,0,0]=4 4136 B7R0.6 O=C(O)N=NC(=O)O MCULE-6858626658 [0,0,0,0,0,2|1,0,1]=4 4137 B7R0.6 O=C([O-])C=CC([O-])O MCULE-6492820393 [0,0,0,0,0,2|1,0,1]=4